smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSC(C)(C)CC[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000585086147 972123375 /nfs/dbraw/zinc/12/33/75/972123375.db2.gz MMLJEZNHESPADZ-VIFPVBQESA-N 1 0 230.377 1.325 50 0 BDAARO Cn1cccc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000585130680 972166261 /nfs/dbraw/zinc/16/62/61/972166261.db2.gz YSNCJEDQFVEYBG-NEPJUHHUSA-N 1 0 247.342 1.049 50 0 BDAARO CCOc1cc(-n2cccn2)ccc1C(N)=[NH2+] ZINC000585138691 972169188 /nfs/dbraw/zinc/16/91/88/972169188.db2.gz HWKGJGIDUZECBF-UHFFFAOYSA-N 1 0 230.271 1.555 50 0 BDAARO C[NH2+][C@@H]1CCN(C[C@@](C)(O)c2ccccc2)C1 ZINC000227670311 960821191 /nfs/dbraw/zinc/82/11/91/960821191.db2.gz VZKHNXIUHACLMP-ZIAGYGMSSA-N 1 0 234.343 1.188 50 0 BDAARO CCC(CC)C[N@@H+]1CC[C@H](CO)[C@H](N(C)C)C1 ZINC000581799407 969123708 /nfs/dbraw/zinc/12/37/08/969123708.db2.gz ZIFWHOXUKRMQFN-ZIAGYGMSSA-N 1 0 242.407 1.667 50 0 BDAARO CC[C@H](C(=O)N(C)C1(COC)CC1)[N@H+](C)CC ZINC000952870074 974051734 /nfs/dbraw/zinc/05/17/34/974051734.db2.gz RKZUYOVVTLYDGF-LLVKDONJSA-N 1 0 242.363 1.354 50 0 BDAARO CN(C)[C@@H]1CC[N@@H+](C2CSCCSC2)C1 ZINC001506413785 988778263 /nfs/dbraw/zinc/77/82/63/988778263.db2.gz VQMPZIAYMTUUTJ-SNVBAGLBSA-N 1 0 246.445 1.471 50 0 BDAARO c1cn(CCN2CC[NH+](CC3CCC3)CC2)cn1 ZINC001506430595 988783409 /nfs/dbraw/zinc/78/34/09/988783409.db2.gz XMTHLVNBNOKLON-UHFFFAOYSA-N 1 0 248.374 1.301 50 0 BDAARO CCCn1nc(C)c(NC(=O)[C@@H](C)[NH3+])c1C ZINC001529111358 990330879 /nfs/dbraw/zinc/33/08/79/990330879.db2.gz VSSQLKFFVUDTAX-SSDOTTSWSA-N 1 0 224.308 1.196 50 0 BDAARO CCC(CC)(CCO)[NH2+]Cc1cc[nH]n1 ZINC000283009068 168321533 /nfs/dbraw/zinc/32/15/33/168321533.db2.gz ONTZEIDTEIERTA-UHFFFAOYSA-N 1 0 211.309 1.441 50 0 BDAARO Cc1cc(N(C)C)nc(CC2CC[NH2+]CC2)n1 ZINC000019686870 178097743 /nfs/dbraw/zinc/09/77/43/178097743.db2.gz RPVIOKPGMBCUKT-UHFFFAOYSA-N 1 0 234.347 1.393 50 0 BDAARO Cc1cccc(CC[N@@H+](C)C[C@H]2CCOC2)n1 ZINC000564895107 398194194 /nfs/dbraw/zinc/19/41/94/398194194.db2.gz AGDYXNLLJBTWCZ-CYBMUJFWSA-N 1 0 234.343 1.901 50 0 BDAARO Cc1cc(N2CC[C@@H]([NH3+])C2=O)ccc1F ZINC000061118445 178117864 /nfs/dbraw/zinc/11/78/64/178117864.db2.gz WHUKFAJWFNHNRU-SNVBAGLBSA-N 1 0 208.236 1.198 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000086316764 398202547 /nfs/dbraw/zinc/20/25/47/398202547.db2.gz DCBUXTUHVIWBDB-SECBINFHSA-N 1 0 237.278 1.045 50 0 BDAARO Cc1cc(F)cc(C(=O)N(C)[C@H](C)C[NH3+])c1 ZINC000097228958 187327847 /nfs/dbraw/zinc/32/78/47/187327847.db2.gz MFUHRJAQSXLEPG-SECBINFHSA-N 1 0 224.279 1.553 50 0 BDAARO CCn1cncc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421408448 192332875 /nfs/dbraw/zinc/33/28/75/192332875.db2.gz LGGMIAAXCHQBNR-LBPRGKRZSA-N 1 0 236.363 1.429 50 0 BDAARO CC(C)(C)[C@H]([NH2+]Cc1ccsc1)C(N)=O ZINC000170603140 361788190 /nfs/dbraw/zinc/78/81/90/361788190.db2.gz YTOHWQQOIMKKRR-SECBINFHSA-N 1 0 226.345 1.738 50 0 BDAARO CC(C)(C)[C@@H]([NH2+]Cc1ccsc1)C(N)=O ZINC000170603141 361788730 /nfs/dbraw/zinc/78/87/30/361788730.db2.gz YTOHWQQOIMKKRR-VIFPVBQESA-N 1 0 226.345 1.738 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@H]2CC[NH2+]C2)c(C)n1 ZINC000071310029 178381589 /nfs/dbraw/zinc/38/15/89/178381589.db2.gz MSDAJSYWOZHJBT-NSHDSACASA-N 1 0 233.315 1.132 50 0 BDAARO Cc1ccc(C(=O)N2CCC[NH2+]CC2)c(C)n1 ZINC000055329926 178387241 /nfs/dbraw/zinc/38/72/41/178387241.db2.gz JBFPFWJSCJBVCI-UHFFFAOYSA-N 1 0 233.315 1.134 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)n1 ZINC000055331126 178390869 /nfs/dbraw/zinc/39/08/69/178390869.db2.gz KTFMZHOGHAJSIX-NSHDSACASA-N 1 0 233.315 1.262 50 0 BDAARO C[C@@H](CC[NH+]1CCN(C=O)CC1)c1ccccc1 ZINC000000214581 342680338 /nfs/dbraw/zinc/68/03/38/342680338.db2.gz ZBYBXGSMTGUTOA-AWEZNQCLSA-N 1 0 246.354 1.954 50 0 BDAARO CCC1CCC([NH+](CCO)CCO)CC1 ZINC000000213211 342680420 /nfs/dbraw/zinc/68/04/20/342680420.db2.gz ABCIXUZKNXTYFD-UHFFFAOYSA-N 1 0 215.337 1.242 50 0 BDAARO C[n+]1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000258689 342681361 /nfs/dbraw/zinc/68/13/61/342681361.db2.gz UWXXDHWOPNLUTI-UHFFFAOYSA-O 1 0 219.308 1.574 50 0 BDAARO COc1ccc(C[NH2+]C[C@H](C)O)cc1OC ZINC000000268963 342681766 /nfs/dbraw/zinc/68/17/66/342681766.db2.gz QWSXDJLRBJHSGL-VIFPVBQESA-N 1 0 225.288 1.174 50 0 BDAARO C[n+]1ccc(COc2ccc(C=O)cc2)cc1 ZINC000000337636 342683850 /nfs/dbraw/zinc/68/38/50/342683850.db2.gz YFALSNBKAJLMLG-UHFFFAOYSA-N 1 0 228.271 1.903 50 0 BDAARO CCCCOC[C@@H](O)C[NH+]1CCCCC1 ZINC000001826831 342712891 /nfs/dbraw/zinc/71/28/91/342712891.db2.gz VELFHCRDXQPIHM-LBPRGKRZSA-N 1 0 215.337 1.650 50 0 BDAARO CCOc1ccccc1OC[C@H]1C[NH2+]CCO1 ZINC000001999403 342714221 /nfs/dbraw/zinc/71/42/21/342714221.db2.gz YWPHCCPCQOJSGZ-LLVKDONJSA-N 1 0 237.299 1.453 50 0 world BDAARO CC(C)(C)OC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000004202258 342743583 /nfs/dbraw/zinc/74/35/83/342743583.db2.gz XQIKKZRRQGXGHF-SNVBAGLBSA-N 1 0 228.336 1.901 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000004203952 342743911 /nfs/dbraw/zinc/74/39/11/342743911.db2.gz LRTPRHCNWAEZBN-NXEZZACHSA-N 1 0 226.320 1.463 50 0 BDAARO OCC[NH2+]CCOc1cccc(Cl)c1 ZINC000002933291 342728383 /nfs/dbraw/zinc/72/83/83/342728383.db2.gz LGSGTFVNYYTOHU-UHFFFAOYSA-N 1 0 215.680 1.301 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1ccccc1OC ZINC000004993561 342756021 /nfs/dbraw/zinc/75/60/21/342756021.db2.gz MULDTYNOXOMLNF-UHFFFAOYSA-N 1 0 236.315 1.976 50 0 BDAARO Cn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000005409176 342763331 /nfs/dbraw/zinc/76/33/31/342763331.db2.gz YIOLXYNYYMDFQD-JTQLQIEISA-N 1 0 201.273 1.998 50 0 BDAARO Cc1cc(C(=O)NCC[NH+](C)C)c(C)o1 ZINC000004749996 342751503 /nfs/dbraw/zinc/75/15/03/342751503.db2.gz LXVLEUMNWRGTEO-UHFFFAOYSA-N 1 0 210.277 1.188 50 0 BDAARO COc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000006646665 342780432 /nfs/dbraw/zinc/78/04/32/342780432.db2.gz RLOWUIOSLGWUIA-GFCCVEGCSA-N 1 0 207.273 1.826 50 0 BDAARO [NH3+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000083777320 398284881 /nfs/dbraw/zinc/28/48/81/398284881.db2.gz AKWFXFCXGOXDND-CHWSQXEVSA-N 1 0 223.291 1.858 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1N ZINC000008733325 342804059 /nfs/dbraw/zinc/80/40/59/342804059.db2.gz GRBYMPJDJOWNJV-LLVKDONJSA-N 1 0 247.342 1.483 50 0 BDAARO CCOc1ccc(C[NH2+]CCO)cc1Cl ZINC000010473821 342836515 /nfs/dbraw/zinc/83/65/15/342836515.db2.gz FCTDHBDZOPQFDQ-UHFFFAOYSA-N 1 0 229.707 1.821 50 0 BDAARO CC[NH+](CC)CCNc1ncnc2n[nH]cc21 ZINC000004353489 342855326 /nfs/dbraw/zinc/85/53/26/342855326.db2.gz GXBYHMKUKVFZKU-UHFFFAOYSA-N 1 0 234.307 1.107 50 0 BDAARO CC(C)(C)OC(=O)NCC1CC2(C[NH2+]C2)C1 ZINC000258002464 398321625 /nfs/dbraw/zinc/32/16/25/398321625.db2.gz DHTWBJNTKXLVRO-UHFFFAOYSA-N 1 0 226.320 1.511 50 0 BDAARO CC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000016602796 342913263 /nfs/dbraw/zinc/91/32/63/342913263.db2.gz DFYZAWLXXYZTHK-UHFFFAOYSA-N 1 0 210.321 1.387 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000124730782 398339050 /nfs/dbraw/zinc/33/90/50/398339050.db2.gz ZBQUKHKHLPKHRB-TZMCWYRMSA-N 1 0 246.354 1.876 50 0 BDAARO N[C@H](c1ccc(O)cc1)[C@H]([NH3+])c1ccc(O)cc1 ZINC000019359764 342946850 /nfs/dbraw/zinc/94/68/50/342946850.db2.gz FQRUNJQARWTBBE-ZIAGYGMSSA-N 1 0 244.294 1.798 50 0 BDAARO Fc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000019616123 342952239 /nfs/dbraw/zinc/95/22/39/342952239.db2.gz LODHVDKKTUZVDK-UHFFFAOYSA-N 1 0 208.280 1.273 50 0 BDAARO Cc1ccc(OCCN2CC[NH2+]CC2)c(C)c1 ZINC000019620921 342952278 /nfs/dbraw/zinc/95/22/78/342952278.db2.gz NKTWQHQYDWKCQV-UHFFFAOYSA-N 1 0 234.343 1.587 50 0 BDAARO O=C(CCc1ccccc1F)N1CC[NH2+]CC1 ZINC000019684114 342953601 /nfs/dbraw/zinc/95/36/01/342953601.db2.gz MXNMDMBGSMOTDE-UHFFFAOYSA-N 1 0 236.290 1.190 50 0 BDAARO CC(C)[C@@](C)([NH2+]CC[C@@H]1CCCO1)C(N)=O ZINC000304548455 187208644 /nfs/dbraw/zinc/20/86/44/187208644.db2.gz JSODGANNALHLEE-CMPLNLGQSA-N 1 0 228.336 1.045 50 0 BDAARO C[C@H]1C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948529 342989901 /nfs/dbraw/zinc/98/99/01/342989901.db2.gz RZZMOAWLZHJQET-OFIBSPLFSA-N 1 0 236.359 1.774 50 0 BDAARO Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020596049 342992156 /nfs/dbraw/zinc/99/21/56/342992156.db2.gz PCEMWNOPCGJGPF-ZDUSSCGKSA-N 1 0 242.326 1.912 50 0 BDAARO CCOc1ccc([C@@H](O)C[NH3+])cc1OC ZINC000021949440 343028912 /nfs/dbraw/zinc/02/89/12/343028912.db2.gz TYSLQHFYCCDHQF-VIFPVBQESA-N 1 0 211.261 1.086 50 0 BDAARO CCOc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000021952010 343029065 /nfs/dbraw/zinc/02/90/65/343029065.db2.gz WPWMCYXQEOHPMU-UHFFFAOYSA-N 1 0 234.299 1.131 50 0 BDAARO CC(C)COCCCNC(=O)C1CC[NH2+]CC1 ZINC000021952829 343029666 /nfs/dbraw/zinc/02/96/66/343029666.db2.gz AVYZSKPBKGGQLT-UHFFFAOYSA-N 1 0 242.363 1.165 50 0 BDAARO O=C(c1cc(F)cc(F)c1)N1CC[NH2+]CC1 ZINC000021953285 343029721 /nfs/dbraw/zinc/02/97/21/343029721.db2.gz VAPNINRCIQNTDD-UHFFFAOYSA-N 1 0 226.226 1.010 50 0 BDAARO Cc1cc(C)n(-c2ccc(CC[NH3+])cc2)n1 ZINC000021952602 343029841 /nfs/dbraw/zinc/02/98/41/343029841.db2.gz LBJNLRDAEIHAJO-UHFFFAOYSA-N 1 0 215.300 1.990 50 0 BDAARO COc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000022779329 187223989 /nfs/dbraw/zinc/22/39/89/187223989.db2.gz NQVMHMLNRGHKEX-UHFFFAOYSA-N 1 0 221.300 1.652 50 0 BDAARO CC(C)CN(C(=O)C[NH3+])C1CCCCC1 ZINC000076585704 343052170 /nfs/dbraw/zinc/05/21/70/343052170.db2.gz ZMNMDNWAXQKUOT-UHFFFAOYSA-N 1 0 212.337 1.762 50 0 BDAARO N[C@@H](c1ccncc1)[C@@H]([NH3+])c1ccncc1 ZINC000022594469 343052220 /nfs/dbraw/zinc/05/22/20/343052220.db2.gz HWXSNBQACUQDTF-RYUDHWBXSA-N 1 0 214.272 1.176 50 0 BDAARO O=C(NCCF)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023337851 343063559 /nfs/dbraw/zinc/06/35/59/343063559.db2.gz BAFAHBQGSWRWLA-QMMMGPOBSA-N 1 0 242.319 1.872 50 0 BDAARO CC(C)(C)c1n[nH]cc1C[NH2+]CCn1cccn1 ZINC000069927074 343079926 /nfs/dbraw/zinc/07/99/26/343079926.db2.gz YWCFKEOLRAGGGT-UHFFFAOYSA-N 1 0 247.346 1.694 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@@]1(O)C(=O)c1ccccc1 ZINC000013757330 343103219 /nfs/dbraw/zinc/10/32/19/343103219.db2.gz FVSPEICUIGLILX-FZMZJTMJSA-N 1 0 233.311 1.572 50 0 BDAARO Cn1cc([C@@H]([NH3+])c2ccc(F)cc2)cn1 ZINC000026513664 343106466 /nfs/dbraw/zinc/10/64/66/343106466.db2.gz VATVWSAVGRBYFG-NSHDSACASA-N 1 0 205.236 1.607 50 0 BDAARO C[NH+]1CCC(O)(Cc2cccc(Cl)n2)CC1 ZINC000039121562 343116815 /nfs/dbraw/zinc/11/68/15/343116815.db2.gz FSSQFXBTQFOLCC-UHFFFAOYSA-N 1 0 240.734 1.734 50 0 BDAARO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1ccco1 ZINC000283840567 187241255 /nfs/dbraw/zinc/24/12/55/187241255.db2.gz FNHHTAVDDHQMHA-ZYHUDNBSSA-N 1 0 241.331 1.527 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000004202887 187246861 /nfs/dbraw/zinc/24/68/61/187246861.db2.gz GYLAYRXNMUUXJS-JTQLQIEISA-N 1 0 228.336 1.982 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000030678156 343193495 /nfs/dbraw/zinc/19/34/95/343193495.db2.gz NYGXZCRPVBPJTA-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO Cn1cc(C(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000032500290 343236681 /nfs/dbraw/zinc/23/66/81/343236681.db2.gz XFVIMJKDYOLRBO-UHFFFAOYSA-N 1 0 243.310 1.224 50 0 BDAARO CC(C)[C@@H]1C[N@H+](CC(C)(C)O)CCS1 ZINC000072304985 343243888 /nfs/dbraw/zinc/24/38/88/343243888.db2.gz CTCXRFPRZIAXCI-JTQLQIEISA-N 1 0 217.378 1.831 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC000012382558 187250404 /nfs/dbraw/zinc/25/04/04/187250404.db2.gz WRNWFTDNZVHLMX-UHFFFAOYSA-N 1 0 247.342 1.684 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000033426924 343253771 /nfs/dbraw/zinc/25/37/71/343253771.db2.gz LRHBHZLCNNQRDB-SECBINFHSA-N 1 0 241.132 1.987 50 0 BDAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(C)CC1 ZINC000000757643 343269917 /nfs/dbraw/zinc/26/99/17/343269917.db2.gz UNSBWRMGOSOQKW-GFCCVEGCSA-N 1 0 242.407 2.000 50 0 BDAARO O=C1C[N@@H+]2CC[C@H]1[C@H](c1ccccc1)C2 ZINC000006475804 343273944 /nfs/dbraw/zinc/27/39/44/343273944.db2.gz YPNBQPYSEMXOHR-RYUDHWBXSA-N 1 0 201.269 1.675 50 0 BDAARO CC[C@H]1CN([C@H](C(N)=O)c2ccccc2)CCO1 ZINC000034871967 343279453 /nfs/dbraw/zinc/27/94/53/343279453.db2.gz ZRIAGSDXWOUEKL-STQMWFEESA-N 1 0 248.326 1.324 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000036532679 343320106 /nfs/dbraw/zinc/32/01/06/343320106.db2.gz JHHBMDKAYOQBBB-VIFPVBQESA-N 1 0 214.309 1.592 50 0 BDAARO Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000036882932 343326371 /nfs/dbraw/zinc/32/63/71/343326371.db2.gz SQCGHKYCWVXBPL-UHFFFAOYSA-N 1 0 220.316 1.473 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000036906849 343327705 /nfs/dbraw/zinc/32/77/05/343327705.db2.gz YKYWSBSBRGBNAJ-RXMQYKEDSA-N 1 0 219.693 1.964 50 0 BDAARO Cc1ccc(C)n1C1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000058331127 178511330 /nfs/dbraw/zinc/51/13/30/178511330.db2.gz BDDNSSDNWLNNDW-GFCCVEGCSA-N 1 0 249.358 1.616 50 0 BDAARO CCCCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000036204093 343311996 /nfs/dbraw/zinc/31/19/96/343311996.db2.gz DMJRQHBYFYECHJ-LLVKDONJSA-N 1 0 212.337 1.683 50 0 BDAARO Clc1ccc(NC2CC[NH2+]CC2)nc1 ZINC000037116593 343334748 /nfs/dbraw/zinc/33/47/48/343334748.db2.gz ZPGJFZGGFCHSSJ-UHFFFAOYSA-N 1 0 211.696 1.899 50 0 BDAARO N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC000038579550 343377403 /nfs/dbraw/zinc/37/74/03/343377403.db2.gz NWDYSRZJOLDMRE-CKUJCDMFSA-N 1 0 236.318 1.932 50 0 BDAARO C[n+]1ccn(C(=O)N2CCc3sccc3C2)c1 ZINC000032628700 187256249 /nfs/dbraw/zinc/25/62/49/187256249.db2.gz FZHREPPUEJCOKW-UHFFFAOYSA-N 1 0 248.331 1.401 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccccc1F ZINC000037485818 343346749 /nfs/dbraw/zinc/34/67/49/343346749.db2.gz WTEAVYZVXFQMKL-UHFFFAOYSA-N 1 0 238.306 1.897 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cn1 ZINC000070075985 187258091 /nfs/dbraw/zinc/25/80/91/187258091.db2.gz NPGIXBYVPUPUHW-GHMZBOCLSA-N 1 0 233.315 1.212 50 0 BDAARO C[C@@H](CC[NH3+])NC(=O)OCc1ccccc1 ZINC000039952292 343393770 /nfs/dbraw/zinc/39/37/70/343393770.db2.gz WOKDIYCOYIKOQP-JTQLQIEISA-N 1 0 222.288 1.650 50 0 BDAARO Clc1cc(OC[C@@H]2CCC[NH2+]C2)ncn1 ZINC000040434306 343403021 /nfs/dbraw/zinc/40/30/21/343403021.db2.gz OBGYCCYWHUFYJW-MRVPVSSYSA-N 1 0 227.695 1.508 50 0 BDAARO C[C@@H](C[NH3+])CN(C)C(=O)OC(C)(C)C ZINC000042455154 343438875 /nfs/dbraw/zinc/43/88/75/343438875.db2.gz WYXUVCSRTALUSF-QMMMGPOBSA-N 1 0 202.298 1.448 50 0 BDAARO [NH3+][C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000042414788 343436525 /nfs/dbraw/zinc/43/65/25/343436525.db2.gz UTNCBGXZYDIMMH-JTQLQIEISA-N 1 0 216.244 1.048 50 0 BDAARO O=C(OCC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000042769498 343451031 /nfs/dbraw/zinc/45/10/31/343451031.db2.gz RVWCDJNBAZMHEF-LLVKDONJSA-N 1 0 234.299 1.628 50 0 BDAARO O=C(OCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000042768451 343451035 /nfs/dbraw/zinc/45/10/35/343451035.db2.gz XBGQTUUOQGLPMC-SNVBAGLBSA-N 1 0 223.272 1.826 50 0 BDAARO Clc1cncc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000042783010 343452998 /nfs/dbraw/zinc/45/29/98/343452998.db2.gz CABMUMKPUCLVEL-MRVPVSSYSA-N 1 0 227.695 1.508 50 0 BDAARO O=C1CC[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000042784345 343453924 /nfs/dbraw/zinc/45/39/24/343453924.db2.gz JOFRNYDNUYDLBF-UHFFFAOYSA-N 1 0 238.718 1.662 50 0 BDAARO COC(=O)CCSC[C@H]1CCC[NH2+]C1 ZINC000043471759 343474562 /nfs/dbraw/zinc/47/45/62/343474562.db2.gz JGEHQCSVJDCDGA-VIFPVBQESA-N 1 0 217.334 1.282 50 0 BDAARO CSC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000044076370 343491429 /nfs/dbraw/zinc/49/14/29/343491429.db2.gz CQESTZGPIRSWTO-VIFPVBQESA-N 1 0 201.335 1.508 50 0 BDAARO COc1cccc(C[NH2+]C2CC(O)C2)c1 ZINC000084442483 343531083 /nfs/dbraw/zinc/53/10/83/343531083.db2.gz WRGNLCUGZYZLHJ-UHFFFAOYSA-N 1 0 207.273 1.308 50 0 BDAARO CC(C)Cn1c(CC[NH3+])nc2cccnc21 ZINC000045796160 343534546 /nfs/dbraw/zinc/53/45/46/343534546.db2.gz LKVPKBBILSUQAZ-UHFFFAOYSA-N 1 0 218.304 1.589 50 0 BDAARO COC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000020303496 343630243 /nfs/dbraw/zinc/63/02/43/343630243.db2.gz LGCHTHNCFDGWBW-UHFFFAOYSA-N 1 0 219.284 1.608 50 0 in-vitro BDAARO CC(C)=CC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000065622604 187273859 /nfs/dbraw/zinc/27/38/59/187273859.db2.gz OQMHJQMPEFEYPB-NSHDSACASA-N 1 0 210.321 1.505 50 0 BDAARO CC1(C)[NH2+]CC[C@H]1NCCCOc1cccnc1 ZINC000067908284 187274970 /nfs/dbraw/zinc/27/49/70/187274970.db2.gz BPXOUVZIMJSDIL-CYBMUJFWSA-N 1 0 249.358 1.581 50 0 BDAARO OC[C@H]1CSC[C@@H](c2ccccc2)[NH2+]1 ZINC000068575694 187275173 /nfs/dbraw/zinc/27/51/73/187275173.db2.gz UWFUIBSJCDOJPV-QWRGUYRKSA-N 1 0 209.314 1.425 50 0 BDAARO Cc1cc(=O)[nH]c(C2([NH3+])CCCCC2)n1 ZINC000068577014 187275180 /nfs/dbraw/zinc/27/51/80/187275180.db2.gz JVTCPBJGNNVLCI-UHFFFAOYSA-N 1 0 207.277 1.196 50 0 BDAARO CC(C)([NH3+])c1cn(-c2ccccc2)nn1 ZINC000069679112 187275217 /nfs/dbraw/zinc/27/52/17/187275217.db2.gz HGLOSPIHZHKENM-UHFFFAOYSA-N 1 0 202.261 1.461 50 0 BDAARO CC(C)(C)c1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 ZINC000071398221 187275501 /nfs/dbraw/zinc/27/55/01/187275501.db2.gz LTOFXYATIKLNBT-UHFFFAOYSA-N 1 0 235.331 1.795 50 0 BDAARO CC1(C)OC[C@H](COc2cc[nH+]c(N)c2)O1 ZINC000071788759 187276492 /nfs/dbraw/zinc/27/64/92/187276492.db2.gz OXYIHRSZXWMHPH-VIFPVBQESA-N 1 0 224.260 1.194 50 0 BDAARO CC(=O)Nc1ccc2c(ccc[n+]2C)c1 ZINC000072193706 187276626 /nfs/dbraw/zinc/27/66/26/187276626.db2.gz NGAPLNRRUMBXRW-UHFFFAOYSA-O 1 0 201.249 1.623 50 0 BDAARO CC(=O)N1CCC([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000396825019 349888048 /nfs/dbraw/zinc/88/80/48/349888048.db2.gz ZWCRUWDTZUXCGK-LBPRGKRZSA-N 1 0 240.347 1.154 50 0 BDAARO CC[NH+]1CCN(Cc2ccncc2F)CC1 ZINC000334605811 343894119 /nfs/dbraw/zinc/89/41/19/343894119.db2.gz KYFQAOVLSUMCRC-UHFFFAOYSA-N 1 0 223.295 1.358 50 0 BDAARO Cc1ccc(C[NH2+]CC[S@@](C)=O)cc1 ZINC000089633240 178608833 /nfs/dbraw/zinc/60/88/33/178608833.db2.gz LSROWRYRWJRJPK-AWEZNQCLSA-N 1 0 211.330 1.463 50 0 BDAARO c1cn2c(n1)CC[C@@H](C[NH2+][C@@H]1CCSC1)C2 ZINC000309593514 343934782 /nfs/dbraw/zinc/93/47/82/343934782.db2.gz HQODKOXYKBHZHH-WDEREUQCSA-N 1 0 237.372 1.541 50 0 BDAARO CCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004714850 343974332 /nfs/dbraw/zinc/97/43/32/343974332.db2.gz OGFXFJQUTJQBGY-UHFFFAOYSA-N 1 0 246.354 1.946 50 0 BDAARO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000095430362 187288337 /nfs/dbraw/zinc/28/83/37/187288337.db2.gz BTZUAVOEPOVVHL-ZDUSSCGKSA-N 1 0 249.358 1.373 50 0 BDAARO CCn1cncc1CN1CC[C@@H]1C(F)F ZINC000585135982 344148177 /nfs/dbraw/zinc/14/81/77/344148177.db2.gz LABBXACAZHPXSO-SECBINFHSA-N 1 0 215.247 1.742 50 0 BDAARO C[C@H]1C[C@@H](CN(C)Cc2nc[nH]n2)CCO1 ZINC000408145063 344159820 /nfs/dbraw/zinc/15/98/20/344159820.db2.gz PKSMCXUEDYQTHS-UWVGGRQHSA-N 1 0 224.308 1.052 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNCc1ccccn1 ZINC000095223305 344334046 /nfs/dbraw/zinc/33/40/46/344334046.db2.gz KEWZRWGYHXXRLK-ZDUSSCGKSA-N 1 0 219.332 1.656 50 0 BDAARO CC(C)(C)OC[C@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000072233343 344519071 /nfs/dbraw/zinc/51/90/71/344519071.db2.gz UFAIRFWDNNFWQI-MNOVXSKESA-N 1 0 212.337 1.238 50 0 BDAARO c1cc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)on1 ZINC000072233350 344519275 /nfs/dbraw/zinc/51/92/75/344519275.db2.gz JSCXMDBBGJPRRS-MRVPVSSYSA-N 1 0 218.260 1.532 50 0 BDAARO CCOc1ccc([C@@H]([NH3+])CC(=O)OC)cc1 ZINC000000206850 344640861 /nfs/dbraw/zinc/64/08/61/344640861.db2.gz RLNCOJXWYPRKIK-NSHDSACASA-N 1 0 223.272 1.648 50 0 BDAARO Cc1c[nH+]c(C)n1CCNC(=O)C1CCCC1 ZINC000409420992 344968897 /nfs/dbraw/zinc/96/88/97/344968897.db2.gz SWOCCVJIXUHYBG-UHFFFAOYSA-N 1 0 235.331 1.806 50 0 BDAARO Cc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000019735588 178835026 /nfs/dbraw/zinc/83/50/26/178835026.db2.gz CPMJSSANBOUJPZ-GFCCVEGCSA-N 1 0 204.317 1.961 50 0 BDAARO C(O[C@@H]1CCOC2(CC[NH2+]CC2)C1)C1CC1 ZINC000169676297 187303253 /nfs/dbraw/zinc/30/32/53/187303253.db2.gz YBZPZCSLOSTNFC-GFCCVEGCSA-N 1 0 225.332 1.714 50 0 BDAARO Cc1ccc([C@@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000000499783 178880717 /nfs/dbraw/zinc/88/07/17/178880717.db2.gz PWBRXJMRRWCPCJ-AWEZNQCLSA-N 1 0 217.312 1.908 50 0 BDAARO C(C[C@@H]1CCC[NH2+]1)c1noc(C2CC2)n1 ZINC000096892136 537903257 /nfs/dbraw/zinc/90/32/57/537903257.db2.gz LHMWKRDDIOAYNK-VIFPVBQESA-N 1 0 207.277 1.632 50 0 BDAARO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1(C)C ZINC000095962725 345686834 /nfs/dbraw/zinc/68/68/34/345686834.db2.gz NPUCIVQCQQHTLE-GBIKHYSHSA-N 1 0 240.347 1.010 50 0 BDAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC000095978836 345687016 /nfs/dbraw/zinc/68/70/16/345687016.db2.gz UKMVNXMCWCKWRV-VIFPVBQESA-N 1 0 226.345 1.878 50 0 BDAARO c1cnc(N2CC[NH+](C3CCCC3)CC2)nc1 ZINC000074271796 345821380 /nfs/dbraw/zinc/82/13/80/345821380.db2.gz ZUTPBKAGMGXHLX-UHFFFAOYSA-N 1 0 232.331 1.541 50 0 BDAARO Cc1ccc([C@]2(O)CCC[NH2+]C2)c(C)c1 ZINC000071509799 178928079 /nfs/dbraw/zinc/92/80/79/178928079.db2.gz XJVGUVMWEBRHCK-ZDUSSCGKSA-N 1 0 205.301 1.874 50 0 BDAARO CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000019636250 187313448 /nfs/dbraw/zinc/31/34/48/187313448.db2.gz SDCCYOVPPGOLLY-UHFFFAOYSA-N 1 0 224.348 1.729 50 0 BDAARO C1CC1N1CC[C@@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000061981411 537936615 /nfs/dbraw/zinc/93/66/15/537936615.db2.gz UMGSGAJJBJCECI-SNPRPXQTSA-N 1 0 249.402 1.440 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccnc1 ZINC000019506307 187313753 /nfs/dbraw/zinc/31/37/53/187313753.db2.gz AVWVIJOKCTVMSJ-SNVBAGLBSA-N 1 0 207.277 1.394 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@@H]1C ZINC000195543022 187316287 /nfs/dbraw/zinc/31/62/87/187316287.db2.gz VIYLABHZSHGBOL-GARJFASQSA-N 1 0 212.337 1.474 50 0 BDAARO Cc1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC000020267659 179007601 /nfs/dbraw/zinc/00/76/01/179007601.db2.gz NHLWUQOGWIZVMD-UHFFFAOYSA-N 1 0 218.300 1.558 50 0 BDAARO Cc1cccc(C2CC([NH2+]C3(C(N)=O)CC3)C2)c1 ZINC000095940814 179051889 /nfs/dbraw/zinc/05/18/89/179051889.db2.gz GSAPIGJVXDICDO-UHFFFAOYSA-N 1 0 244.338 1.849 50 0 BDAARO Cc1cccc(CCC(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000054369380 179052744 /nfs/dbraw/zinc/05/27/44/179052744.db2.gz UJQHTOQJCZOFEK-CYBMUJFWSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1cccc(CC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000052127748 179053452 /nfs/dbraw/zinc/05/34/52/179053452.db2.gz QSSDMWMSJDPUGH-AWEZNQCLSA-N 1 0 246.354 1.653 50 0 BDAARO Cc1cccc(C[N@H+](C)C[C@H]2COCCO2)c1 ZINC000216049209 179066958 /nfs/dbraw/zinc/06/69/58/179066958.db2.gz GJDLPPZKOOIBDA-AWEZNQCLSA-N 1 0 235.327 1.842 50 0 BDAARO Cc1cccc(CNC2=[NH+]CCN2)c1C ZINC000096027714 179088404 /nfs/dbraw/zinc/08/84/04/179088404.db2.gz ZBYXEIJRCMVSAM-UHFFFAOYSA-N 1 0 203.289 1.352 50 0 BDAARO Cc1cccc(C[NH2+]CCCN2CCOCC2)c1 ZINC000002518409 179089936 /nfs/dbraw/zinc/08/99/36/179089936.db2.gz GUWBXULZILRFNC-UHFFFAOYSA-N 1 0 248.370 1.807 50 0 BDAARO Cc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1C ZINC000105472535 179093496 /nfs/dbraw/zinc/09/34/96/179093496.db2.gz WTQBGDBKFOGCLV-HNNXBMFYSA-N 1 0 248.370 1.724 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]C[C@@H]1F ZINC000148820684 346504671 /nfs/dbraw/zinc/50/46/71/346504671.db2.gz UMQUBAWDZABAPY-YUMQZZPRSA-N 1 0 218.272 1.069 50 0 BDAARO Cc1cccc(C[C@@H](O)C[NH2+]C(C)(C)C)n1 ZINC000071773294 179104426 /nfs/dbraw/zinc/10/44/26/179104426.db2.gz GHQCBRBCOGNXTF-GFCCVEGCSA-N 1 0 222.332 1.682 50 0 BDAARO Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000011958543 179137618 /nfs/dbraw/zinc/13/76/18/179137618.db2.gz WNGMLRIVMOGEAF-NSHDSACASA-N 1 0 206.289 1.917 50 0 BDAARO Cc1cccc(NCCC[S@](C)=O)[nH+]1 ZINC000097162583 179143362 /nfs/dbraw/zinc/14/33/62/179143362.db2.gz PVJUIWDZKXJRAO-CQSZACIVSA-N 1 0 212.318 1.571 50 0 BDAARO Cc1cccc(OCCCC[NH2+]CCO)c1 ZINC000002900514 179165069 /nfs/dbraw/zinc/16/50/69/179165069.db2.gz NVVFVJNMDYNJQX-UHFFFAOYSA-N 1 0 223.316 1.736 50 0 BDAARO Cc1cccc(OCCC[NH2+]CCO)c1C ZINC000002901543 179167216 /nfs/dbraw/zinc/16/72/16/179167216.db2.gz PPXSFTJSWWYLKO-UHFFFAOYSA-N 1 0 223.316 1.654 50 0 BDAARO CC(C)c1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000015924303 347136907 /nfs/dbraw/zinc/13/69/07/347136907.db2.gz XURIIYDJLZLJCU-UHFFFAOYSA-N 1 0 219.292 1.640 50 0 BDAARO Cc1cccc([C@H]2CCC[N@@H+]2CC(N)=O)c1C ZINC000098013275 179204268 /nfs/dbraw/zinc/20/42/68/179204268.db2.gz IVIOGHHJUOEXIP-CYBMUJFWSA-N 1 0 232.327 1.926 50 0 BDAARO Cc1ccccc1C(C)(C)CNC(=O)C[NH3+] ZINC000083910283 179253782 /nfs/dbraw/zinc/25/37/82/179253782.db2.gz CABCXIHTLNRYPL-UHFFFAOYSA-N 1 0 220.316 1.348 50 0 BDAARO Cc1ccccc1CC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000091496289 179260696 /nfs/dbraw/zinc/26/06/96/179260696.db2.gz KBXZSDVFUSDXGW-OCCSQVGLSA-N 1 0 246.354 1.794 50 0 BDAARO CC(C)[C@H](C(=O)Nc1ccncc1O)[NH+](C)C ZINC000195557078 347641256 /nfs/dbraw/zinc/64/12/56/347641256.db2.gz HQADLSLUZSXRKW-LLVKDONJSA-N 1 0 237.303 1.312 50 0 BDAARO Cc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)nc1 ZINC000195573591 347648002 /nfs/dbraw/zinc/64/80/02/347648002.db2.gz JBASBJQLIWSLFN-LLVKDONJSA-N 1 0 235.331 1.380 50 0 BDAARO Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC000019537589 179274419 /nfs/dbraw/zinc/27/44/19/179274419.db2.gz ASNZWAPWDAKYIU-UHFFFAOYSA-N 1 0 204.317 1.742 50 0 BDAARO CC(C)[C@H]([NH2+]C1CCOCC1)c1ncnn1C ZINC000534634866 323156884 /nfs/dbraw/zinc/15/68/84/323156884.db2.gz UEPUTNRXOHPHNF-NSHDSACASA-N 1 0 238.335 1.281 50 0 BDAARO Cc1ccccc1[C@@H]1CC[N@H+](CCC(N)=O)C1 ZINC000069444445 179327884 /nfs/dbraw/zinc/32/78/84/179327884.db2.gz 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538892382 /nfs/dbraw/zinc/89/23/82/538892382.db2.gz PMQZPUKZYBIEDJ-UHFFFAOYSA-N 1 0 206.224 1.257 50 0 BDAARO CCOc1ccc(N2C[C@@H](C[NH3+])OC2=O)cc1 ZINC000019669133 359950754 /nfs/dbraw/zinc/95/07/54/359950754.db2.gz LHCNCRIXJLAAQT-LLVKDONJSA-N 1 0 236.271 1.369 50 0 BDAARO CCSCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000379585935 361108504 /nfs/dbraw/zinc/10/85/04/361108504.db2.gz QEDPNDIWDOJTKE-SSDOTTSWSA-N 1 0 214.338 1.517 50 0 BDAARO Cc1cnc(-c2ccncc2)n1CC[NH3+] ZINC000169793061 361130879 /nfs/dbraw/zinc/13/08/79/361130879.db2.gz DSHRLCHGQMQGBY-UHFFFAOYSA-N 1 0 202.261 1.212 50 0 BDAARO Cc1nc(CN2CCC[C@H]([NH3+])C2)cs1 ZINC000041027892 361147833 /nfs/dbraw/zinc/14/78/33/361147833.db2.gz LSAHPUXLIQRRSV-VIFPVBQESA-N 1 0 211.334 1.375 50 0 BDAARO CSC(C)(C)C[NH2+]C1CCN(C=O)CC1 ZINC000170088901 361390006 /nfs/dbraw/zinc/39/00/06/361390006.db2.gz BWEULSSMSCNKIX-UHFFFAOYSA-N 1 0 230.377 1.338 50 0 BDAARO Cc1ccc([C@H](C)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000170048219 361383861 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/nfs/dbraw/zinc/17/98/22/183179822.db2.gz RNQIHZNYBSBNCC-AWEZNQCLSA-N 1 0 228.295 1.905 50 0 BDAARO O[C@@H](CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000020264161 183175591 /nfs/dbraw/zinc/17/55/91/183175591.db2.gz UQVMSTCAYUXCTA-LBPRGKRZSA-N 1 0 240.734 1.279 50 0 BDAARO O[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000004343366 183184214 /nfs/dbraw/zinc/18/42/14/183184214.db2.gz GEOSFHFASCZYCA-LBPRGKRZSA-N 1 0 209.264 1.859 50 0 BDAARO O[C@H](C[NH2+][C@H]1CCCSC1)c1ccco1 ZINC000163970229 183225646 /nfs/dbraw/zinc/22/56/46/183225646.db2.gz YLSIFOSJOWRYNU-VHSXEESVSA-N 1 0 227.329 1.798 50 0 BDAARO O[C@H]1[C@H]2CC[C@@H]1[N@H+](Cc1ccccc1)C2 ZINC000026895500 183249019 /nfs/dbraw/zinc/24/90/19/183249019.db2.gz GRNDIXAFZQOWOE-AVGNSLFASA-N 1 0 203.285 1.642 50 0 BDAARO O[C@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667466 183233919 /nfs/dbraw/zinc/23/39/19/183233919.db2.gz DTHVCOVZCWXTNT-NEPJUHHUSA-N 1 0 249.310 1.808 50 0 BDAARO CCC[NH+]1CCC(N2CCSCC2)CC1 ZINC000032590209 169186941 /nfs/dbraw/zinc/18/69/41/169186941.db2.gz PUKRKOTTYIIJOA-UHFFFAOYSA-N 1 0 228.405 1.910 50 0 BDAARO c1cc(-c2n[nH]c(C[C@H]3CC[NH2+]C3)n2)ccn1 ZINC000169676330 183331999 /nfs/dbraw/zinc/33/19/99/183331999.db2.gz XCCKALHKOBYWIJ-SECBINFHSA-N 1 0 229.287 1.019 50 0 BDAARO CCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000003622849 169201465 /nfs/dbraw/zinc/20/14/65/169201465.db2.gz PLJTWSGWVULAIS-UHFFFAOYSA-N 1 0 232.327 1.854 50 0 BDAARO CCCN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000039515299 169202577 /nfs/dbraw/zinc/20/25/77/169202577.db2.gz VQHBOBRKMQPOLE-CYBMUJFWSA-N 1 0 228.380 1.421 50 0 BDAARO c1cc2cccc(CN3CC[NH2+]CC3)c2[nH]1 ZINC000082968816 183345308 /nfs/dbraw/zinc/34/53/08/183345308.db2.gz YDYRQUQZBIZMTQ-UHFFFAOYSA-N 1 0 215.300 1.573 50 0 BDAARO CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@H]1SC ZINC000245289615 169219965 /nfs/dbraw/zinc/21/99/65/169219965.db2.gz DAYPNXYGRUUPEJ-WDEREUQCSA-N 1 0 244.404 1.729 50 0 BDAARO c1cc(NC2CC[NH2+]CC2)cc2c1OCO2 ZINC000004245566 183369045 /nfs/dbraw/zinc/36/90/45/183369045.db2.gz PGCRTEAGKACZMD-UHFFFAOYSA-N 1 0 220.272 1.579 50 0 BDAARO c1cc2c(s1)C1(CC[NH2+]CC1)OCC2 ZINC000090397754 183373054 /nfs/dbraw/zinc/37/30/54/183373054.db2.gz DWYGLHSLUMTSPC-UHFFFAOYSA-N 1 0 209.314 1.900 50 0 BDAARO CCC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000003887613 169264507 /nfs/dbraw/zinc/26/45/07/169264507.db2.gz NDBVZFMGYMXMQA-JTQLQIEISA-N 1 0 207.273 1.826 50 0 BDAARO c1ccc(CC[NH2+]CCN2CCOCC2)cc1 ZINC000019360169 183393966 /nfs/dbraw/zinc/39/39/66/183393966.db2.gz CSDLFBMKFXILTQ-UHFFFAOYSA-N 1 0 234.343 1.151 50 0 BDAARO c1ncn(C[C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000069621044 183398634 /nfs/dbraw/zinc/39/86/34/183398634.db2.gz NERWBFUPQAYQQH-CYBMUJFWSA-N 1 0 243.314 1.338 50 0 BDAARO CCCOc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000061668091 169324133 /nfs/dbraw/zinc/32/41/33/169324133.db2.gz FINPLNAXBMFUPV-LBPRGKRZSA-N 1 0 248.326 1.649 50 0 BDAARO CCCSCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067678639 169337659 /nfs/dbraw/zinc/33/76/59/169337659.db2.gz KVTQSCFTOQPAHP-NSHDSACASA-N 1 0 244.404 1.588 50 0 BDAARO CCC[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000330031800 169367318 /nfs/dbraw/zinc/36/73/18/169367318.db2.gz DMIRQNCZLNRQOI-NEPJUHHUSA-N 1 0 212.337 1.191 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000057219108 166656007 /nfs/dbraw/zinc/65/60/07/166656007.db2.gz WWQRKRDWYBRFAA-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000082359768 166657670 /nfs/dbraw/zinc/65/76/70/166657670.db2.gz LPNOEYLQBVUWGH-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000060394245 166665173 /nfs/dbraw/zinc/66/51/73/166665173.db2.gz HGRDDBPZHZEGNY-RKDXNWHRSA-N 1 0 214.309 1.639 50 0 BDAARO Brc1cccc(N2CC[NH2+]CC2)c1 ZINC000002529849 532968985 /nfs/dbraw/zinc/96/89/85/532968985.db2.gz DOYNABJKDZARLF-UHFFFAOYSA-N 1 0 241.132 1.859 50 0 in-vitro BDAARO Brc1cccc(N2CC[NH2+]CC2)n1 ZINC000015080663 532968119 /nfs/dbraw/zinc/96/81/19/532968119.db2.gz WBRRYSNZMKKYLZ-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO CCOCCOCCC1CC[NH2+]CC1 ZINC000034972572 383822243 /nfs/dbraw/zinc/82/22/43/383822243.db2.gz CLRLWVUZTNXQNW-UHFFFAOYSA-N 1 0 201.310 1.429 50 0 BDAARO O=C(OCc1ccccc1)N1CC2(C1)CCC[NH2+]2 ZINC000066054700 383844236 /nfs/dbraw/zinc/84/42/36/383844236.db2.gz RRZZJIWGDWBWGM-UHFFFAOYSA-N 1 0 246.310 1.761 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@H]1F ZINC000066339514 383858761 /nfs/dbraw/zinc/85/87/61/383858761.db2.gz MPIIBGAKGQZLDK-HTQZYQBOSA-N 1 0 218.272 1.211 50 0 BDAARO C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000035500276 383860000 /nfs/dbraw/zinc/86/00/00/383860000.db2.gz YNGHYNNGDWYZCK-LBPRGKRZSA-N 1 0 219.263 1.868 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1)C1CC1 ZINC000036871808 383916284 /nfs/dbraw/zinc/91/62/84/383916284.db2.gz LUQMHLXUBRTTJU-CYBMUJFWSA-N 1 0 232.327 1.915 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000036873054 383917257 /nfs/dbraw/zinc/91/72/57/383917257.db2.gz HUAAIFLKUBUYIA-LBPRGKRZSA-N 1 0 238.306 1.912 50 0 BDAARO CC[C@H]([NH3+])C(=O)N[C@H](C)c1cccs1 ZINC000036871737 383917549 /nfs/dbraw/zinc/91/75/49/383917549.db2.gz ICBPNXNIIVHBPZ-SFYZADRCSA-N 1 0 212.318 1.663 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000158410618 383928801 /nfs/dbraw/zinc/92/88/01/383928801.db2.gz OHSLLOJTRULSBC-MNOVXSKESA-N 1 0 244.404 1.763 50 0 BDAARO CC(C)[C@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000070534256 383934097 /nfs/dbraw/zinc/93/40/97/383934097.db2.gz IRUXBDVBSZWLAP-WDEREUQCSA-N 1 0 212.337 1.476 50 0 BDAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067805027 383948977 /nfs/dbraw/zinc/94/89/77/383948977.db2.gz AKJJTBJVEKNXOA-JTQLQIEISA-N 1 0 245.330 1.273 50 0 BDAARO COCc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000188420501 384046665 /nfs/dbraw/zinc/04/66/65/384046665.db2.gz OSXNEGUFZJVNRX-LLVKDONJSA-N 1 0 248.326 1.267 50 0 BDAARO COC(=O)[C@H]1Cc2ccccc2CN1C ZINC000038478337 384084574 /nfs/dbraw/zinc/08/45/74/384084574.db2.gz QADFTFCXDJGMDK-LLVKDONJSA-N 1 0 205.257 1.216 50 0 biogenic BDAARO O=C1Nc2ccccc2C1=C1CC[NH2+]CC1 ZINC000039414377 384113594 /nfs/dbraw/zinc/11/35/94/384113594.db2.gz ISWSPFWHRHMWAL-UHFFFAOYSA-N 1 0 214.268 1.776 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@H]2[NH3+])C1 ZINC000091304821 384117563 /nfs/dbraw/zinc/11/75/63/384117563.db2.gz ARDLFRHCGVVGHP-BXKDBHETSA-N 1 0 226.320 1.735 50 0 BDAARO C[N@H+](CCN1CCOC1=O)C[C@@H]1CC=CCC1 ZINC000092043903 384145770 /nfs/dbraw/zinc/14/57/70/384145770.db2.gz MPJHCFCZNMXZPL-GFCCVEGCSA-N 1 0 238.331 1.727 50 0 BDAARO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1F ZINC000071654960 384173383 /nfs/dbraw/zinc/17/33/83/384173383.db2.gz AVWBDFXDXCRQCS-QWRGUYRKSA-N 1 0 238.262 1.304 50 0 BDAARO CCO[C@H]1CCC[N@H+](CCOC(=O)N(C)C)C1 ZINC000097373622 384176762 /nfs/dbraw/zinc/17/67/62/384176762.db2.gz AEIYACVPVXLORB-NSHDSACASA-N 1 0 244.335 1.186 50 0 BDAARO CCC[C@]1(CO)CCCN(Cc2ncccn2)C1 ZINC000091997956 384160639 /nfs/dbraw/zinc/16/06/39/384160639.db2.gz NEPOFFUSPHNXHI-AWEZNQCLSA-N 1 0 249.358 1.851 50 0 BDAARO Cc1ccsc1[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000090849891 384160785 /nfs/dbraw/zinc/16/07/85/384160785.db2.gz GYRJLSVWJCHMOY-CMPLNLGQSA-N 1 0 241.356 1.859 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cc[nH]n1 ZINC000097376937 384181517 /nfs/dbraw/zinc/18/15/17/384181517.db2.gz DRJVCHGLQDIMRR-LBPRGKRZSA-N 1 0 222.336 1.182 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@](C)([NH3+])C1 ZINC000072193756 384197564 /nfs/dbraw/zinc/19/75/64/384197564.db2.gz KYRWEDDXBNZACB-SNVBAGLBSA-N 1 0 200.282 1.345 50 0 BDAARO CNc1cc(C[C@@H]2CCC[NH2+]C2)ncn1 ZINC000072344176 384208828 /nfs/dbraw/zinc/20/88/28/384208828.db2.gz NXTDJAYQNBQGKV-VIFPVBQESA-N 1 0 206.293 1.060 50 0 BDAARO CC[C@H](C[NH+](C)C)Nc1cc(C)nc2ccnn21 ZINC000072463455 384223530 /nfs/dbraw/zinc/22/35/30/384223530.db2.gz INCPCYNQGRUPAQ-LLVKDONJSA-N 1 0 247.346 1.790 50 0 BDAARO COC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782859 384242550 /nfs/dbraw/zinc/24/25/50/384242550.db2.gz XKQYHLDWMZYKNJ-GFCCVEGCSA-N 1 0 235.283 1.604 50 0 BDAARO COC(=O)c1ccccc1COC[C@@H]1CC[NH2+]C1 ZINC000042773822 384243086 /nfs/dbraw/zinc/24/30/86/384243086.db2.gz WMOZNWYCLAMHCQ-LLVKDONJSA-N 1 0 249.310 1.599 50 0 BDAARO CC/C=C(/C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069725082 384260337 /nfs/dbraw/zinc/26/03/37/384260337.db2.gz HYDQSJYUQCVBSG-LIPIYFLUSA-N 1 0 224.348 1.929 50 0 BDAARO CC(C)n1ccc(C(=O)N[C@@H](C)c2ncc[nH]2)n1 ZINC000408518164 384266805 /nfs/dbraw/zinc/26/68/05/384266805.db2.gz VWRFGYQFYCYLMV-VIFPVBQESA-N 1 0 247.302 1.678 50 0 BDAARO COC[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CCO1 ZINC000408518358 384274086 /nfs/dbraw/zinc/27/40/86/384274086.db2.gz CXXQXEIQLMPQGW-JTQLQIEISA-N 1 0 247.298 1.415 50 0 BDAARO CC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042771474 384242167 /nfs/dbraw/zinc/24/21/67/384242167.db2.gz UXHWTRAMCKOQMJ-NSHDSACASA-N 1 0 219.284 1.878 50 0 BDAARO C[NH+](C)CC1CN(c2nc3ccccc3o2)C1 ZINC000408521889 384285017 /nfs/dbraw/zinc/28/50/17/384285017.db2.gz ABRBJJCTEMREHG-UHFFFAOYSA-N 1 0 231.299 1.826 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1ccnn1C1CCCCC1 ZINC000097019079 384287308 /nfs/dbraw/zinc/28/73/08/384287308.db2.gz MLPSZZIDDPCYNS-SECBINFHSA-N 1 0 236.319 1.674 50 0 BDAARO [NH3+]C[C@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000011920038 384300833 /nfs/dbraw/zinc/30/08/33/384300833.db2.gz ABVJAYHLEOFPPN-VIFPVBQESA-N 1 0 226.663 1.624 50 0 BDAARO [NH3+]C[C@@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920026 384301570 /nfs/dbraw/zinc/30/15/70/384301570.db2.gz OHDMOKNRYANDRG-QMMMGPOBSA-N 1 0 240.253 1.272 50 0 BDAARO FC(F)(F)c1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000095079072 384355366 /nfs/dbraw/zinc/35/53/66/384355366.db2.gz NLNCQJXRJLNBOU-JTQLQIEISA-N 1 0 230.233 1.939 50 0 BDAARO C[NH+](C)C1CCN(c2cccnc2C=O)CC1 ZINC000095081154 384357635 /nfs/dbraw/zinc/35/76/35/384357635.db2.gz LLJULDRRYLXOBZ-UHFFFAOYSA-N 1 0 233.315 1.425 50 0 BDAARO COC(=O)[C@H](C)SCC[C@@H]1CCC[N@@H+]1C ZINC000097102248 384359786 /nfs/dbraw/zinc/35/97/86/384359786.db2.gz FYZRCKFLMSGIGQ-UWVGGRQHSA-N 1 0 231.361 1.765 50 0 BDAARO Cc1n[nH]c(C)c1C[N@@H+]1CCCSCC1 ZINC000097113634 384370050 /nfs/dbraw/zinc/37/00/50/384370050.db2.gz ZFVQXSHJGNXRGS-UHFFFAOYSA-N 1 0 225.361 1.965 50 0 BDAARO CC(C)(C)OC(=O)NC1(C[NH3+])CC(F)(F)C1 ZINC000095742856 384393510 /nfs/dbraw/zinc/39/35/10/384393510.db2.gz CUWZDIJQVDKWCN-UHFFFAOYSA-N 1 0 236.262 1.638 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000013858460 384375350 /nfs/dbraw/zinc/37/53/50/384375350.db2.gz WTTIEVRVCBIEQJ-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO [NH3+]Cc1cc(F)cnc1Br ZINC000095616403 384383412 /nfs/dbraw/zinc/38/34/12/384383412.db2.gz PFFHGFNYXTUQFZ-UHFFFAOYSA-N 1 0 205.030 1.442 50 0 BDAARO [NH3+]Cc1cc(Br)cnc1F ZINC000095630938 384385408 /nfs/dbraw/zinc/38/54/08/384385408.db2.gz ZUKFVBVXPYZXBQ-UHFFFAOYSA-N 1 0 205.030 1.442 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000095742600 384389739 /nfs/dbraw/zinc/38/97/39/384389739.db2.gz PQJOHBZTOIMHCM-SSDOTTSWSA-N 1 0 236.262 1.508 50 0 BDAARO [NH3+]CCc1csc2nc(-c3ccccc3)nn12 ZINC000011585489 384477688 /nfs/dbraw/zinc/47/76/88/384477688.db2.gz MOWJIZQWFSAMSM-UHFFFAOYSA-N 1 0 244.323 1.959 50 0 BDAARO c1cncc(-c2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000019089621 384510140 /nfs/dbraw/zinc/51/01/40/384510140.db2.gz GSELZSLDFVXXLZ-VIFPVBQESA-N 1 0 216.244 1.556 50 0 BDAARO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000019262495 384512843 /nfs/dbraw/zinc/51/28/43/384512843.db2.gz HQLHXIXXZOMPMB-GFCCVEGCSA-N 1 0 240.734 1.672 50 0 BDAARO [NH3+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000019387603 384518004 /nfs/dbraw/zinc/51/80/04/384518004.db2.gz SGRCWVFWIACJAV-LBPRGKRZSA-N 1 0 234.299 1.054 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000019413565 384522761 /nfs/dbraw/zinc/52/27/61/384522761.db2.gz AENGNNDYRORZDA-ZDUSSCGKSA-N 1 0 232.327 1.787 50 0 BDAARO [NH3+]C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019843433 384545006 /nfs/dbraw/zinc/54/50/06/384545006.db2.gz LUURPVUDUOREFV-LLVKDONJSA-N 1 0 205.305 1.252 50 0 BDAARO CC(C)[C@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000082685196 384545886 /nfs/dbraw/zinc/54/58/86/384545886.db2.gz INHZSMMPGDEBDC-LBPRGKRZSA-N 1 0 211.280 1.932 50 0 BDAARO [NH3+]CCS(=O)(=O)c1cccc(Cl)c1 ZINC000020223285 384603581 /nfs/dbraw/zinc/60/35/81/384603581.db2.gz YDJOBGAWPAEWHQ-UHFFFAOYSA-N 1 0 219.693 1.072 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000050228873 384609140 /nfs/dbraw/zinc/60/91/40/384609140.db2.gz MFYRCAHFLPMSEM-SECBINFHSA-N 1 0 205.261 1.252 50 0 BDAARO O=C(c1ccc(Cl)o1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000081213894 384609692 /nfs/dbraw/zinc/60/96/92/384609692.db2.gz GTUIQNHJSXQMKW-OCAPTIKFSA-N 1 0 240.690 1.224 50 0 in-man BDAARO C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020281158 384610153 /nfs/dbraw/zinc/61/01/53/384610153.db2.gz UPFXBEQEVWAQCH-QMMMGPOBSA-N 1 0 213.302 1.371 50 0 BDAARO c1nnc(CN2CC[NH2+]CC2)n1C1CCCCC1 ZINC000054526504 384624499 /nfs/dbraw/zinc/62/44/99/384624499.db2.gz BQNXNRKROOIIQS-UHFFFAOYSA-N 1 0 249.362 1.189 50 0 BDAARO Cc1ccnc(SCC2CC[NH2+]CC2)n1 ZINC000051332214 384665428 /nfs/dbraw/zinc/66/54/28/384665428.db2.gz FUNVPRUITKZAEU-UHFFFAOYSA-N 1 0 223.345 1.877 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]Cc1cscn1 ZINC000097081560 384668934 /nfs/dbraw/zinc/66/89/34/384668934.db2.gz NDABWDTXMLCLMV-UHFFFAOYSA-N 1 0 228.317 1.432 50 0 BDAARO NNc1ccc(C(=O)Nc2cccc(F)c2)c[nH+]1 ZINC000051096307 384658784 /nfs/dbraw/zinc/65/87/84/384658784.db2.gz YSLBQEQESDSGGN-UHFFFAOYSA-N 1 0 246.245 1.759 50 0 BDAARO C[N@H+](Cc1cn2ccsc2n1)CC(C)(C)O ZINC000071908307 384676727 /nfs/dbraw/zinc/67/67/27/384676727.db2.gz YSZFRKPSKNMOMK-UHFFFAOYSA-N 1 0 239.344 1.599 50 0 BDAARO CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H]([NH3+])C1 ZINC000102237484 384701977 /nfs/dbraw/zinc/70/19/77/384701977.db2.gz GBSIQLWXIWQGFC-GVJMRKKJSA-N 1 0 200.282 1.391 50 0 BDAARO [NH3+]Cc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000021968165 384712784 /nfs/dbraw/zinc/71/27/84/384712784.db2.gz IHHFCWHTRUIZOK-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO C[NH+](C)C1(CNc2ccccn2)CCOCC1 ZINC000079305634 384717272 /nfs/dbraw/zinc/71/72/72/384717272.db2.gz GDFYTQITOGFLEZ-UHFFFAOYSA-N 1 0 235.331 1.604 50 0 BDAARO COC(=O)c1c[nH]c([C@@H]([NH3+])c2ccccc2)n1 ZINC000218777706 384780904 /nfs/dbraw/zinc/78/09/04/384780904.db2.gz LKALLKVSFRFVEP-JTQLQIEISA-N 1 0 231.255 1.244 50 0 BDAARO CC(C)CCS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000082629191 384743788 /nfs/dbraw/zinc/74/37/88/384743788.db2.gz XBIVSUOIHCQCKI-GHMZBOCLSA-N 1 0 248.392 1.222 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178522777 384748910 /nfs/dbraw/zinc/74/89/10/384748910.db2.gz ZBQPSVLDCOHHOX-YBJDMEARSA-N 1 0 244.338 1.815 50 0 BDAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cscn1 ZINC000084212491 384760197 /nfs/dbraw/zinc/76/01/97/384760197.db2.gz YUBAHAUFVLCCKB-HTQZYQBOSA-N 1 0 225.317 1.000 50 0 BDAARO [NH3+]CC[C@H]1CN(c2nc3ccccc3o2)CCO1 ZINC000022637937 384765565 /nfs/dbraw/zinc/76/55/65/384765565.db2.gz ZYYIUSRKWKCAHI-JTQLQIEISA-N 1 0 247.298 1.382 50 0 BDAARO COC(C[N@H+](C)Cc1cccc(F)c1)OC ZINC000085351256 384770158 /nfs/dbraw/zinc/77/01/58/384770158.db2.gz UCOKFASKXHAFBJ-UHFFFAOYSA-N 1 0 227.279 1.876 50 0 BDAARO Cc1cc(-c2cccs2)nn1CC[NH3+] ZINC000083986758 384826471 /nfs/dbraw/zinc/82/64/71/384826471.db2.gz BQSOLFNNTCDDRQ-UHFFFAOYSA-N 1 0 207.302 1.879 50 0 BDAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[NH2+]C2 ZINC000072151756 384790798 /nfs/dbraw/zinc/79/07/98/384790798.db2.gz QEHFYJGDVNACPL-CQSZACIVSA-N 1 0 245.326 1.184 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2c(C)noc2C)c1 ZINC000069897372 384814976 /nfs/dbraw/zinc/81/49/76/384814976.db2.gz MNXODCAMBUVENM-UHFFFAOYSA-N 1 0 234.303 1.586 50 0 BDAARO Cc1cc(C)n(C(=O)Cn2ccc(=[NH2+])cc2)n1 ZINC000367936965 384883490 /nfs/dbraw/zinc/88/34/90/384883490.db2.gz UUMZRAOPBJGYMK-UHFFFAOYSA-N 1 0 230.271 1.121 50 0 BDAARO CO[C@H]1C[N@H+](Cc2cncnc2)CC[C@H]1C ZINC000188297627 384886530 /nfs/dbraw/zinc/88/65/30/384886530.db2.gz JDULLGWROWRSSQ-PWSUYJOCSA-N 1 0 221.304 1.333 50 0 BDAARO Cc1cc(C)n([C@@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000067514351 384846440 /nfs/dbraw/zinc/84/64/40/384846440.db2.gz PDAAGDBXGPBZQP-GFCCVEGCSA-N 1 0 245.330 1.670 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000054918276 384862625 /nfs/dbraw/zinc/86/26/25/384862625.db2.gz PZUCLSJXDPWBSQ-CYBMUJFWSA-N 1 0 244.294 1.466 50 0 BDAARO C[C@@H]([NH3+])c1cccc(N2CCCC2=O)c1 ZINC000057217553 384932090 /nfs/dbraw/zinc/93/20/90/384932090.db2.gz PHDOEZIQADMSJW-SECBINFHSA-N 1 0 204.273 1.833 50 0 BDAARO CN(C[C@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000057218684 384932362 /nfs/dbraw/zinc/93/23/62/384932362.db2.gz ICTZUPNLSITARI-VIFPVBQESA-N 1 0 214.309 1.463 50 0 BDAARO C1CC[C@H](c2nnc3n2CCCC3)[NH2+]C1 ZINC000057217693 384932634 /nfs/dbraw/zinc/93/26/34/384932634.db2.gz IQNJOWIQIFYJMK-SECBINFHSA-N 1 0 206.293 1.429 50 0 BDAARO O=C(OC[C@@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000086229843 384999346 /nfs/dbraw/zinc/99/93/46/384999346.db2.gz NLCZXEHGQNMZJP-NSHDSACASA-N 1 0 226.320 1.751 50 0 BDAARO CN(Cc1ccccc1F)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062112933 385064634 /nfs/dbraw/zinc/06/46/34/385064634.db2.gz XNWJJXXQMSVIPK-SNVBAGLBSA-N 1 0 236.290 1.394 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000059384443 385045793 /nfs/dbraw/zinc/04/57/93/385045793.db2.gz CUPLIXNZYXWLEY-STQMWFEESA-N 1 0 237.347 1.509 50 0 BDAARO Cn1nc2c(cc1=O)C[N@@H+](CC1CCCC1)CC2 ZINC000072302345 385181694 /nfs/dbraw/zinc/18/16/94/385181694.db2.gz YCYAWYQUEQGXNV-UHFFFAOYSA-N 1 0 247.342 1.329 50 0 BDAARO FC(F)(F)c1cccc(OC2C[NH2+]C2)n1 ZINC000062810009 385190026 /nfs/dbraw/zinc/19/00/26/385190026.db2.gz DCNCFTDPXVZMTF-UHFFFAOYSA-N 1 0 218.178 1.451 50 0 BDAARO [NH3+][C@@H]1CCOc2ccc(Cl)cc2[C@H]1O ZINC000062571387 385175102 /nfs/dbraw/zinc/17/51/02/385175102.db2.gz JBXZVDCLOHBTJT-PSASIEDQSA-N 1 0 213.664 1.483 50 0 BDAARO Cn1cc(COCc2ccc(C(N)=[NH2+])cc2)cn1 ZINC000062566088 385225649 /nfs/dbraw/zinc/22/56/49/385225649.db2.gz LHQFQCDMRKIRED-UHFFFAOYSA-N 1 0 244.298 1.421 50 0 BDAARO Cc1ccc2oc(C[NH2+]C(C)(CO)CO)cc2c1 ZINC000096501159 385237280 /nfs/dbraw/zinc/23/72/80/385237280.db2.gz RFDMPBBDHGEIJK-UHFFFAOYSA-N 1 0 249.310 1.574 50 0 BDAARO C/C=C(/C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000236707584 385251719 /nfs/dbraw/zinc/25/17/19/385251719.db2.gz QMHQBTYYAIEVLZ-YAEJEKNGSA-N 1 0 212.337 1.784 50 0 BDAARO [NH3+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000034217625 385276567 /nfs/dbraw/zinc/27/65/67/385276567.db2.gz YWVCBDDTRSTVDU-GFCCVEGCSA-N 1 0 222.357 1.563 50 0 BDAARO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000130789176 385284129 /nfs/dbraw/zinc/28/41/29/385284129.db2.gz CYWJKBBZNNWCEE-LBPRGKRZSA-N 1 0 249.358 1.494 50 0 BDAARO Cc1cnc(C2CC2)n1[C@H]1CCC[NH2+]C1 ZINC000169676813 385416627 /nfs/dbraw/zinc/41/66/27/385416627.db2.gz YJSPWPJDLLYSKD-NSHDSACASA-N 1 0 205.305 1.993 50 0 BDAARO Cc1cnc(C[C@H]2CC[NH2+]C2)n1C1CC1 ZINC000169676761 385416822 /nfs/dbraw/zinc/41/68/22/385416822.db2.gz OFQUTIWAUDMXIA-SNVBAGLBSA-N 1 0 205.305 1.678 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000062666766 385477517 /nfs/dbraw/zinc/47/75/17/385477517.db2.gz UODPOFJLHMIDFO-NSHDSACASA-N 1 0 236.290 1.697 50 0 BDAARO CC(C)CC[N@H+]1CCc2nncn2CC1 ZINC000012040740 385530715 /nfs/dbraw/zinc/53/07/15/385530715.db2.gz HUBMSKXPIXIBMK-UHFFFAOYSA-N 1 0 208.309 1.182 50 0 BDAARO C[NH+](C)CCCN1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC000216059209 385858668 /nfs/dbraw/zinc/85/86/68/385858668.db2.gz XRHMZCPDNZTCHO-CHWSQXEVSA-N 1 0 238.375 1.772 50 0 BDAARO Cc1csc(C[NH2+]C2(CO)CCCC2)n1 ZINC000086994233 385977323 /nfs/dbraw/zinc/97/73/23/385977323.db2.gz JTXUDVKMOOBAIU-UHFFFAOYSA-N 1 0 226.345 1.846 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)Cc1nc2ccccc2[nH]1 ZINC000071773290 385936463 /nfs/dbraw/zinc/93/64/63/385936463.db2.gz YACDDZKDPPSNPB-JTQLQIEISA-N 1 0 247.342 1.854 50 0 BDAARO O=C1CN(Cc2ccncc2)[C@@H]2CCCC[C@@H]2N1 ZINC000225304903 386184762 /nfs/dbraw/zinc/18/47/62/386184762.db2.gz MJMSICILYIQAGZ-QWHCGFSZSA-N 1 0 245.326 1.325 50 0 BDAARO COCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000012774408 386139470 /nfs/dbraw/zinc/13/94/70/386139470.db2.gz GXDFBUGNWXDDEX-UHFFFAOYSA-N 1 0 237.328 1.874 50 0 BDAARO COC(=O)c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000044135342 386278309 /nfs/dbraw/zinc/27/83/09/386278309.db2.gz IXMKHFGBZYSDRQ-NSHDSACASA-N 1 0 205.257 1.898 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000063193432 386368631 /nfs/dbraw/zinc/36/86/31/386368631.db2.gz UOUPBGCZAGQZKH-JQWIXIFHSA-N 1 0 233.315 1.424 50 0 BDAARO CC[N@H+](CC(N)=O)[C@H](C)c1ccc(F)cc1 ZINC000053087783 386372109 /nfs/dbraw/zinc/37/21/09/386372109.db2.gz DLQXTWRSBHLYHM-SECBINFHSA-N 1 0 224.279 1.694 50 0 BDAARO CC[C@@H](NC(=O)CC[NH+](C)C)c1cc(C)ccn1 ZINC000299780678 386489915 /nfs/dbraw/zinc/48/99/15/386489915.db2.gz KZMMZRRDBIBLNE-GFCCVEGCSA-N 1 0 249.358 1.909 50 0 BDAARO O=C1NCCC[C@@H]1[NH+]1Cc2ccccc2C1 ZINC000336509319 386665381 /nfs/dbraw/zinc/66/53/81/386665381.db2.gz ZHAUJNSGFUBGJX-LBPRGKRZSA-N 1 0 216.284 1.281 50 0 BDAARO CCN(C)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000087645614 386944753 /nfs/dbraw/zinc/94/47/53/386944753.db2.gz ZOVRAVIXLZRVLR-PWSUYJOCSA-N 1 0 220.316 1.801 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H]([NH3+])C2 ZINC000095627694 387226594 /nfs/dbraw/zinc/22/65/94/387226594.db2.gz CTDSKHCAIGOHQU-SECBINFHSA-N 1 0 226.320 1.735 50 0 BDAARO C[S@](=O)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000085322953 387455180 /nfs/dbraw/zinc/45/51/80/387455180.db2.gz UZGBITXRKXRAJZ-MRXNPFEDSA-N 1 0 241.356 1.285 50 0 BDAARO CCOCc1ccccc1CNC(=[NH2+])NC ZINC000052019214 387422355 /nfs/dbraw/zinc/42/23/55/387422355.db2.gz IVBFEQCODGCHLR-UHFFFAOYSA-N 1 0 221.304 1.467 50 0 BDAARO c1cc2ccnc(N3CC[NH2+]CC3)c2s1 ZINC000026896043 387805309 /nfs/dbraw/zinc/80/53/09/387805309.db2.gz FJGAJXIEIOCUFQ-UHFFFAOYSA-N 1 0 219.313 1.706 50 0 in-vitro BDAARO Cc1n[nH]c(C)c1C[NH2+]Cc1cccnc1 ZINC000036864725 387964295 /nfs/dbraw/zinc/96/42/95/387964295.db2.gz WFIDSBJRYYMSCG-UHFFFAOYSA-N 1 0 216.288 1.711 50 0 BDAARO COCCn1c(N)[nH+]c2cc(Cl)ccc21 ZINC000036889725 388011331 /nfs/dbraw/zinc/01/13/31/388011331.db2.gz PIQLYNDOILJWRN-UHFFFAOYSA-N 1 0 225.679 1.918 50 0 BDAARO CC1(C)[C@H]([NH2+]C2CCC(O)CC2)[C@H]2CCO[C@@H]21 ZINC000085629283 388093743 /nfs/dbraw/zinc/09/37/43/388093743.db2.gz TVXCGIPTSKSCQM-ABLIHOLZSA-N 1 0 239.359 1.693 50 0 BDAARO c1nncn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065385552 388260659 /nfs/dbraw/zinc/26/06/59/388260659.db2.gz OLZQXQYQWJKISZ-CYBMUJFWSA-N 1 0 228.299 1.725 50 0 BDAARO CSC[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000170612353 388257346 /nfs/dbraw/zinc/25/73/46/388257346.db2.gz GWVRHTKBFKDMSV-UWVGGRQHSA-N 1 0 217.378 1.879 50 0 BDAARO CCN(CC)C(=O)C[N@@H+]1CCSCC[C@H]1C ZINC000170616721 388257948 /nfs/dbraw/zinc/25/79/48/388257948.db2.gz DYLCWCXZWSZKHK-LLVKDONJSA-N 1 0 244.404 1.682 50 0 BDAARO O=C(C[NH2+]CC1CCC1)NCc1ccccc1 ZINC000037180528 388210141 /nfs/dbraw/zinc/21/01/41/388210141.db2.gz XYQDGTHPHSOBNZ-UHFFFAOYSA-N 1 0 232.327 1.693 50 0 BDAARO CCCc1nnc(N2CCC[N@H+](C)CC2)s1 ZINC000089960571 388377413 /nfs/dbraw/zinc/37/74/13/388377413.db2.gz RIHVMMSTBNWCNG-UHFFFAOYSA-N 1 0 240.376 1.633 50 0 BDAARO CC(C)[C@H](C)[NH2+]Cc1nncn1C(C)C ZINC000090038401 388383107 /nfs/dbraw/zinc/38/31/07/388383107.db2.gz DIHOJEPZWZYKSF-JTQLQIEISA-N 1 0 210.325 1.993 50 0 BDAARO CCCCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000357763340 388395187 /nfs/dbraw/zinc/39/51/87/388395187.db2.gz RBKGPSXOQYSEMV-NSHDSACASA-N 1 0 239.363 1.736 50 0 BDAARO O=C1NC[C@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000039271131 388408876 /nfs/dbraw/zinc/40/88/76/388408876.db2.gz HQXCWUWCXHNQKU-GFCCVEGCSA-N 1 0 230.311 1.270 50 0 BDAARO CCC[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000195532095 388478837 /nfs/dbraw/zinc/47/88/37/388478837.db2.gz IWCAAUJPAVJZTG-GHMZBOCLSA-N 1 0 201.310 1.116 50 0 BDAARO CC1(C)OCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000328370932 388413020 /nfs/dbraw/zinc/41/30/20/388413020.db2.gz IMTVNAFPHAINRV-NSHDSACASA-N 1 0 224.279 1.878 50 0 BDAARO Cc1ccc(O)c(C[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000069351383 388414913 /nfs/dbraw/zinc/41/49/13/388414913.db2.gz UOVKMMSFNCXCAL-NSHDSACASA-N 1 0 246.314 1.470 50 0 BDAARO c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)nc1 ZINC000069582370 388421513 /nfs/dbraw/zinc/42/15/13/388421513.db2.gz AXGROJONSBEQSO-AWEZNQCLSA-N 1 0 247.342 1.034 50 0 BDAARO c1csc(CSCCNC2=[NH+]CCN2)c1 ZINC000069843292 388427040 /nfs/dbraw/zinc/42/70/40/388427040.db2.gz UBRLDRPKMVBIBJ-UHFFFAOYSA-N 1 0 241.385 1.530 50 0 BDAARO CCOCCN1CC[NH+](CC(C)C)CC1 ZINC000069819930 388427406 /nfs/dbraw/zinc/42/74/06/388427406.db2.gz KDAOVTROFNUNRE-UHFFFAOYSA-N 1 0 214.353 1.297 50 0 BDAARO CCCc1cc(=O)[nH]c([C@@](C)([NH3+])CC)n1 ZINC000070039503 388432046 /nfs/dbraw/zinc/43/20/46/388432046.db2.gz QAQAYROSXZVDCQ-NSHDSACASA-N 1 0 209.293 1.306 50 0 BDAARO C[NH+](C)CCNC(=O)Cn1ccc2ccccc21 ZINC000009554228 388438123 /nfs/dbraw/zinc/43/81/23/388438123.db2.gz QHMQFPZOOLTGCX-UHFFFAOYSA-N 1 0 245.326 1.319 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+][C@H]1CCO[C@@H]1C ZINC000195555557 388484081 /nfs/dbraw/zinc/48/40/81/388484081.db2.gz GZVGDQZSELVZSH-UTUOFQBUSA-N 1 0 223.320 1.429 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)Cc2c(F)cccc2F)C1 ZINC000095045469 388589932 /nfs/dbraw/zinc/58/99/32/388589932.db2.gz ALHBYUQMDNHQEZ-MRVPVSSYSA-N 1 0 240.253 1.067 50 0 BDAARO C[C@@H](CCC1CCCC1)NC(=O)CC[NH3+] ZINC000225464909 388594335 /nfs/dbraw/zinc/59/43/35/388594335.db2.gz LSPXPTMTUVMHJW-JTQLQIEISA-N 1 0 212.337 1.810 50 0 BDAARO Cc1ccnc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000107526914 388603066 /nfs/dbraw/zinc/60/30/66/388603066.db2.gz KFZXUQOAMHIKAQ-CHWSQXEVSA-N 1 0 246.358 1.706 50 0 BDAARO CC[C@@H](C)C[NH+]1CCN(c2cnccn2)CC1 ZINC000154361893 388613367 /nfs/dbraw/zinc/61/33/67/388613367.db2.gz CXHUBMRVWGKDLU-GFCCVEGCSA-N 1 0 234.347 1.645 50 0 BDAARO CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246091498 388616477 /nfs/dbraw/zinc/61/64/77/388616477.db2.gz VEZMAIZBAWLWCC-GHMZBOCLSA-N 1 0 227.352 1.378 50 0 BDAARO CN(CC(F)F)C(=O)CC1CC[NH2+]CC1 ZINC000153396740 388750991 /nfs/dbraw/zinc/75/09/91/388750991.db2.gz LBZSQZYYHNKMEB-UHFFFAOYSA-N 1 0 220.263 1.100 50 0 BDAARO CN(C[C@@H]1CCOC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000225485134 388718153 /nfs/dbraw/zinc/71/81/53/388718153.db2.gz RYWXNYHJXBDBFY-WCQYABFASA-N 1 0 248.326 1.181 50 0 BDAARO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(C)(C)C ZINC000095423589 388770051 /nfs/dbraw/zinc/77/00/51/388770051.db2.gz ITYMLTJRXBBFHW-VIFPVBQESA-N 1 0 235.393 1.834 50 0 BDAARO C[C@]1(O)CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000096493125 388821915 /nfs/dbraw/zinc/82/19/15/388821915.db2.gz KBPZKKJOIOEQIP-ILXRZTDVSA-N 1 0 247.338 1.492 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000096999973 388830542 /nfs/dbraw/zinc/83/05/42/388830542.db2.gz CURUKLLKOQSWEH-ZETCQYMHSA-N 1 0 248.311 1.491 50 0 BDAARO CCCCNC(=O)NCCCn1ccnc1 ZINC000028225427 388847489 /nfs/dbraw/zinc/84/74/89/388847489.db2.gz RIUXLXNSGIRFIV-UHFFFAOYSA-N 1 0 224.308 1.373 50 0 BDAARO Cc1cc(-c2ccccc2)[n+]2nc(N)sc2n1 ZINC000003190894 177686102 /nfs/dbraw/zinc/68/61/02/177686102.db2.gz PYYZLTDROOXFAZ-UHFFFAOYSA-N 1 0 243.315 1.834 50 0 BDAARO [NH3+]Cc1ccc2c3c1CCCN3CCC2 ZINC000004245588 132316457 /nfs/dbraw/zinc/31/64/57/132316457.db2.gz UYIXWKYGUYTQSZ-UHFFFAOYSA-N 1 0 202.301 1.844 50 0 BDAARO Cc1cc(C)nc(N2CCC(C[NH3+])CC2)n1 ZINC000004772623 132317101 /nfs/dbraw/zinc/31/71/01/132317101.db2.gz FXCXZRMEMZGJQG-UHFFFAOYSA-N 1 0 220.320 1.269 50 0 BDAARO Cc1ccc(N2CC[NH+](C)CC2)c(N)c1 ZINC000008702597 132319228 /nfs/dbraw/zinc/31/92/28/132319228.db2.gz MDPCCBRUVCKNEY-UHFFFAOYSA-N 1 0 205.305 1.329 50 0 BDAARO FC(F)(F)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000020286831 132331083 /nfs/dbraw/zinc/33/10/83/132331083.db2.gz GRKRSFCFKGOSNB-UHFFFAOYSA-N 1 0 231.221 1.510 50 0 BDAARO c1cnc(N2CCC[C@@H]([NH2+]C3CCCC3)C2)nc1 ZINC000037090090 132343762 /nfs/dbraw/zinc/34/37/62/132343762.db2.gz IFEAKNVBTVXGOD-CYBMUJFWSA-N 1 0 246.358 1.978 50 0 BDAARO Cc1cc(C)cc(N2CCN(CCC[NH3+])CC2)c1 ZINC000045796300 132355074 /nfs/dbraw/zinc/35/50/74/132355074.db2.gz DKQUFXCHLCTJEQ-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO COc1cc(N2CC[NH+](C)CC2)ccc1N ZINC000059157456 132368512 /nfs/dbraw/zinc/36/85/12/132368512.db2.gz LUYPGLRYFIVYTH-UHFFFAOYSA-N 1 0 221.304 1.029 50 0 BDAARO CCN1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC000067172757 132390458 /nfs/dbraw/zinc/39/04/58/132390458.db2.gz LYUGGDCKUPNJAT-UHFFFAOYSA-N 1 0 245.326 1.336 50 0 BDAARO CCC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000078895318 135250887 /nfs/dbraw/zinc/25/08/87/135250887.db2.gz JLGVYENMQWORNN-MNOVXSKESA-N 1 0 226.364 1.831 50 0 BDAARO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCc3ccncc32)C1 ZINC000335004423 135863247 /nfs/dbraw/zinc/86/32/47/135863247.db2.gz BYTQTIVDQWOKFE-NWDGAFQWSA-N 1 0 245.326 1.488 50 0 BDAARO CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000034791709 398015018 /nfs/dbraw/zinc/01/50/18/398015018.db2.gz AOFYPWKDRUVVTF-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO CCc1ccsc1C(=O)N1CCC([NH3+])CC1 ZINC000042411188 398015065 /nfs/dbraw/zinc/01/50/65/398015065.db2.gz IHVUFBHPBRWVFY-UHFFFAOYSA-N 1 0 238.356 1.874 50 0 BDAARO C[C@H](C1CC1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000071825432 398018827 /nfs/dbraw/zinc/01/88/27/398018827.db2.gz RKOZWDUXZDHYGX-SECBINFHSA-N 1 0 210.321 1.338 50 0 BDAARO FC(F)(F)c1cnn(C2CC[NH2+]CC2)c1 ZINC000070019005 398123351 /nfs/dbraw/zinc/12/33/51/398123351.db2.gz XYNLXIDCXIBCMW-UHFFFAOYSA-N 1 0 219.210 1.826 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C\c2cccnc2)C[C@@H](C)[NH2+]1 ZINC000255194540 322918188 /nfs/dbraw/zinc/91/81/88/322918188.db2.gz XRKDXMIOPYXCPV-GKKDLHFNSA-N 1 0 245.326 1.304 50 0 BDAARO Brc1ccc2c(c1)C[NH2+]CCN2 ZINC000012648894 166100234 /nfs/dbraw/zinc/10/02/34/166100234.db2.gz DAONFGRTRQNHRV-UHFFFAOYSA-N 1 0 227.105 1.964 50 0 BDAARO Cc1cc(C)c(C)c(OCC[NH2+]CCO)c1 ZINC000002932113 487614566 /nfs/dbraw/zinc/61/45/66/487614566.db2.gz LKVMBOQGJIAPDM-UHFFFAOYSA-N 1 0 223.316 1.573 50 0 BDAARO CCN(CC)C(=O)c1ccc(C[NH3+])cc1 ZINC000019722284 169759748 /nfs/dbraw/zinc/75/97/48/169759748.db2.gz UCWAKSWBYWRMKW-UHFFFAOYSA-N 1 0 206.289 1.627 50 0 BDAARO CC(C)(C)OC(=O)NCc1cccc(C(N)=[NH2+])c1 ZINC000002512966 166663880 /nfs/dbraw/zinc/66/38/80/166663880.db2.gz CJDXXOHVNBRPMD-UHFFFAOYSA-N 1 0 249.314 1.995 50 0 BDAARO CC(C)C[NH2+]C[C@H](O)COC1CCCC1 ZINC000008844680 167006414 /nfs/dbraw/zinc/00/64/14/167006414.db2.gz DMOPHZYGCHJAKR-NSHDSACASA-N 1 0 215.337 1.552 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccc(F)cc1 ZINC000013617323 169779357 /nfs/dbraw/zinc/77/93/57/169779357.db2.gz OWIRSPMPEFMAHW-UHFFFAOYSA-N 1 0 238.306 1.897 50 0 BDAARO CC(C)OC(=O)CC[C@H]([NH3+])c1cccnc1 ZINC000225523402 167158958 /nfs/dbraw/zinc/15/89/58/167158958.db2.gz OQWLANMBNVXZFM-NSHDSACASA-N 1 0 222.288 1.813 50 0 BDAARO CC(C)[C@@H](C)[NH2+]Cc1nncn1C(C)C ZINC000090038400 167383499 /nfs/dbraw/zinc/38/34/99/167383499.db2.gz DIHOJEPZWZYKSF-SNVBAGLBSA-N 1 0 210.325 1.993 50 0 BDAARO CCC[C@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004008284 411188039 /nfs/dbraw/zinc/18/80/39/411188039.db2.gz MRFBWCJMRGMVNO-NKWVEPMBSA-N 1 0 216.306 1.345 50 0 BDAARO COC[C@H](CO)[NH2+]C1CCC(C2CCC2)CC1 ZINC000658000246 411194232 /nfs/dbraw/zinc/19/42/32/411194232.db2.gz XDYHESRQWLCEJL-RUXDESIVSA-N 1 0 241.375 1.942 50 0 BDAARO CC1(C)CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC000087770146 167930188 /nfs/dbraw/zinc/93/01/88/167930188.db2.gz YHXJTODEJYFXII-SNVBAGLBSA-N 1 0 210.321 1.433 50 0 BDAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ncnn1C ZINC000152611201 168101386 /nfs/dbraw/zinc/10/13/86/168101386.db2.gz OWMKWDJAEDGDTD-NEPJUHHUSA-N 1 0 234.347 1.897 50 0 BDAARO CC1CCC(C[NH2+]CCc2ncnn2C)CC1 ZINC000095978511 168155522 /nfs/dbraw/zinc/15/55/22/168155522.db2.gz VQZOAINKRFEQIJ-UHFFFAOYSA-N 1 0 236.363 1.774 50 0 BDAARO CC1CCC([NH2+][C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000098016425 168165942 /nfs/dbraw/zinc/16/59/42/168165942.db2.gz FSCOPBLVXBKRRI-MCIGGMRASA-N 1 0 236.359 1.918 50 0 BDAARO CC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000004287486 168175715 /nfs/dbraw/zinc/17/57/15/168175715.db2.gz ZDXLYSKUSYNTAK-LLVKDONJSA-N 1 0 210.321 1.387 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]CCN1CCC(C)CC1 ZINC000097094631 168180911 /nfs/dbraw/zinc/18/09/11/168180911.db2.gz IODJIOPYFRXKGQ-CYBMUJFWSA-N 1 0 228.380 1.325 50 0 BDAARO CCC(=O)NCc1ccnc(-n2ccnc2C)c1 ZINC000047013087 168233281 /nfs/dbraw/zinc/23/32/81/168233281.db2.gz HRNOQHMTXVRYTB-UHFFFAOYSA-N 1 0 244.298 1.602 50 0 BDAARO CCOC(=O)CC1=CSC2=NCCCN12 ZINC000004344230 170197877 /nfs/dbraw/zinc/19/78/77/170197877.db2.gz KXQZXSBMWYASAK-UHFFFAOYSA-N 1 0 226.301 1.590 50 0 BDAARO CCOC(=O)CCCCC[N@@H+]1CCC[C@H](O)C1 ZINC000071293118 170199294 /nfs/dbraw/zinc/19/92/94/170199294.db2.gz RAUPRMLHOYAQTD-LBPRGKRZSA-N 1 0 243.347 1.567 50 0 BDAARO CCOC(=O)C[C@@H](C[NH3+])c1ccccc1 ZINC000001853565 170231314 /nfs/dbraw/zinc/23/13/14/170231314.db2.gz ADSZNFBIRHALJL-NSHDSACASA-N 1 0 207.273 1.682 50 0 BDAARO CCOC(=O)[C@@H]1CC(C)(C)[N@@H+]2CCC[C@H]12 ZINC000004342604 170257233 /nfs/dbraw/zinc/25/72/33/170257233.db2.gz KKHJUVUUBQTBMI-NXEZZACHSA-N 1 0 211.305 1.812 50 0 BDAARO CCOC(=O)[C@H](C[NH3+])Cc1ccccc1 ZINC000020580585 170273051 /nfs/dbraw/zinc/27/30/51/170273051.db2.gz IIBVGXXBKONSOJ-NSHDSACASA-N 1 0 207.273 1.367 50 0 BDAARO CCOC(=O)[C@]1(CC2CC2)CCC[NH2+]C1 ZINC000205361171 170285987 /nfs/dbraw/zinc/28/59/87/170285987.db2.gz IPTOBMOYRIRQTP-LBPRGKRZSA-N 1 0 211.305 1.719 50 0 BDAARO CCOCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062257327 170459654 /nfs/dbraw/zinc/45/96/54/170459654.db2.gz HZQMIYZACOVUGH-QMMMGPOBSA-N 1 0 211.265 1.073 50 0 BDAARO CCS[C@H]1CC[C@H](N(C)C(=O)CCC[NH3+])C1 ZINC000236911879 170653040 /nfs/dbraw/zinc/65/30/40/170653040.db2.gz BHIQIJVMILVXAA-QWRGUYRKSA-N 1 0 244.404 1.858 50 0 BDAARO CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000003314501 170839914 /nfs/dbraw/zinc/83/99/14/170839914.db2.gz CWDXTXNOEHVFCU-RYUDHWBXSA-N 1 0 209.289 1.081 50 0 BDAARO CC[C@H](C(=O)[O-])[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000251237631 171235930 /nfs/dbraw/zinc/23/59/30/171235930.db2.gz SBMAMAJQSPFQOX-VXGBXAGGSA-N 1 0 242.363 1.656 50 0 BDAARO CC[C@H](C)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000035185072 171338229 /nfs/dbraw/zinc/33/82/29/171338229.db2.gz BZQMEGHEMKZQNH-WDEREUQCSA-N 1 0 243.420 1.733 50 0 BDAARO CC[C@H](C)[C@H]1COC(=O)N1C1CC[NH2+]CC1 ZINC000040448230 171407072 /nfs/dbraw/zinc/40/70/72/171407072.db2.gz AFFUVFKAZLRYON-GXSJLCMTSA-N 1 0 226.320 1.605 50 0 BDAARO CCn1c(C)cc(C(=O)N2CCC[C@H]2C[NH3+])c1C ZINC000237202716 172135711 /nfs/dbraw/zinc/13/57/11/172135711.db2.gz DEKUTHRCXGUCOS-LBPRGKRZSA-N 1 0 249.358 1.688 50 0 BDAARO CCN1C(=S)N=NC1C[NH+]1CCCCCC1 ZINC000019720871 172147292 /nfs/dbraw/zinc/14/72/92/172147292.db2.gz ITPTWOOPPJHVIR-UHFFFAOYSA-N 1 0 240.376 1.963 50 0 BDAARO CCn1cc(CN2CCC[C@@H](C[NH3+])C2)cn1 ZINC000012357869 172164867 /nfs/dbraw/zinc/16/48/67/172164867.db2.gz RXBPTPBXVPVNGT-NSHDSACASA-N 1 0 222.336 1.074 50 0 BDAARO CN(C(=O)/C=C/c1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000328596125 172294268 /nfs/dbraw/zinc/29/42/68/172294268.db2.gz TXFZIKDKRUVREH-NNNHXZLVSA-N 1 0 248.301 1.659 50 0 BDAARO CN(C(=O)OCc1ccccc1)C1C[NH2+]C1 ZINC000012955425 172325404 /nfs/dbraw/zinc/32/54/04/172325404.db2.gz IRHDBQQHWJBIMM-UHFFFAOYSA-N 1 0 220.272 1.227 50 0 BDAARO CN(C(=O)n1cc[n+](C)c1)C1CCCCC1 ZINC000032628666 172348310 /nfs/dbraw/zinc/34/83/10/172348310.db2.gz AGCLPKRUBVJAGG-UHFFFAOYSA-N 1 0 222.312 1.545 50 0 BDAARO CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000032751272 172383381 /nfs/dbraw/zinc/38/33/81/172383381.db2.gz RKAHKFHKGQWJAR-CYBMUJFWSA-N 1 0 232.327 1.912 50 0 BDAARO CN(C)C(=O)[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000050304574 172384760 /nfs/dbraw/zinc/38/47/60/172384760.db2.gz JYZWVOVXGVVHCJ-JTQLQIEISA-N 1 0 224.279 1.031 50 0 BDAARO CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000032751271 172386113 /nfs/dbraw/zinc/38/61/13/172386113.db2.gz RKAHKFHKGQWJAR-ZDUSSCGKSA-N 1 0 232.327 1.912 50 0 BDAARO CN(C)C(=O)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000049582240 172390604 /nfs/dbraw/zinc/39/06/04/172390604.db2.gz JLJOIJXCDPHOAY-GFCCVEGCSA-N 1 0 218.300 1.465 50 0 BDAARO C[NH+](C)C(C)(C)CNC(=O)NCc1ccccc1 ZINC000041309543 172395299 /nfs/dbraw/zinc/39/52/99/172395299.db2.gz UABRDVLXEINWTB-UHFFFAOYSA-N 1 0 249.358 1.826 50 0 BDAARO C[NH+](C)C[C@H]1CCc2ccccc2C1=O ZINC000003593575 172497104 /nfs/dbraw/zinc/49/71/04/172497104.db2.gz OMCOACHXKJOZMD-LLVKDONJSA-N 1 0 203.285 1.993 50 0 BDAARO C[N@@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC000003256584 173012499 /nfs/dbraw/zinc/01/24/99/173012499.db2.gz YKYRUAQCPQGZBD-UHFFFAOYSA-N 1 0 224.348 1.731 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000006699325 173013611 /nfs/dbraw/zinc/01/36/11/173013611.db2.gz YXHSUKGBFJXWJG-UHFFFAOYSA-N 1 0 236.290 1.603 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000006731409 173013990 /nfs/dbraw/zinc/01/39/90/173013990.db2.gz FMSVQQAYXKPDJV-UHFFFAOYSA-N 1 0 236.290 1.603 50 0 BDAARO C[N@@H+]1CCCN(Cc2ccc(CO)cc2)CC1 ZINC000020230916 173016151 /nfs/dbraw/zinc/01/61/51/173016151.db2.gz YQUWAYPNHCWYNU-UHFFFAOYSA-N 1 0 234.343 1.316 50 0 BDAARO C[N@@H+]1CCCN(Cc2cnc(Cl)s2)CC1 ZINC000020405482 173017514 /nfs/dbraw/zinc/01/75/14/173017514.db2.gz XLFVRPBCBCFIPV-UHFFFAOYSA-N 1 0 245.779 1.934 50 0 BDAARO CN1CCC[NH+]=C1C[C@@H](O)c1cccs1 ZINC000004793346 173019590 /nfs/dbraw/zinc/01/95/90/173019590.db2.gz QMSQNAXWXPUGME-SECBINFHSA-N 1 0 224.329 1.906 50 0 BDAARO C[N@@H+]1CCCN(c2ccccc2CO)CC1 ZINC000012370643 173019850 /nfs/dbraw/zinc/01/98/50/173019850.db2.gz IYBDLMFCIKDQDV-UHFFFAOYSA-N 1 0 220.316 1.321 50 0 BDAARO C[NH+]1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000019387959 173087773 /nfs/dbraw/zinc/08/77/73/173087773.db2.gz GSWLWKFDOBMBAQ-UHFFFAOYSA-N 1 0 225.723 1.482 50 0 BDAARO CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000020268292 173096732 /nfs/dbraw/zinc/09/67/32/173096732.db2.gz KYCQLULJKCTVMY-LLVKDONJSA-N 1 0 210.708 1.916 50 0 BDAARO C[N@@H+]1C[C@H](C(=O)NC2CC2)[C@H](c2ccccc2)C1 ZINC000230104173 173191494 /nfs/dbraw/zinc/19/14/94/173191494.db2.gz RBQPCKGABHTGPA-KBPBESRZSA-N 1 0 244.338 1.610 50 0 BDAARO CNC(=O)CCc1cc(C)nc([C@H]2CCC[NH2+]2)c1 ZINC000072344285 173263084 /nfs/dbraw/zinc/26/30/84/173263084.db2.gz RTXSMCSBONRABR-GFCCVEGCSA-N 1 0 247.342 1.493 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000009902375 173273789 /nfs/dbraw/zinc/27/37/89/173273789.db2.gz BFSVAEILMZQYGT-CYBMUJFWSA-N 1 0 248.326 1.578 50 0 BDAARO C[NH2+]C(C)(C)c1nnnn1-c1cccc(C)c1 ZINC000035511686 173320936 /nfs/dbraw/zinc/32/09/36/173320936.db2.gz HTDBGBQMENTMSI-UHFFFAOYSA-N 1 0 231.303 1.425 50 0 BDAARO C[NH2+]C1CC(NC(=O)OCc2ccccc2)C1 ZINC000067173000 173322340 /nfs/dbraw/zinc/32/23/40/173322340.db2.gz DRROTPCCFFMHNX-UHFFFAOYSA-N 1 0 234.299 1.663 50 0 BDAARO C[NH2+]CC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000083888444 173325987 /nfs/dbraw/zinc/32/59/87/173325987.db2.gz SYHFECKUERYUKI-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000237193260 173327646 /nfs/dbraw/zinc/32/76/46/173327646.db2.gz MLONGLNCSHUHNL-YPMHNXCESA-N 1 0 248.326 1.194 50 0 BDAARO C[NH2+]CCN(C)Cc1cc(F)ccc1F ZINC000043458820 173352936 /nfs/dbraw/zinc/35/29/36/173352936.db2.gz NISVHKNGZIMLST-UHFFFAOYSA-N 1 0 214.259 1.616 50 0 BDAARO C[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000043598891 173360906 /nfs/dbraw/zinc/36/09/06/173360906.db2.gz KRMGICDHSZJFFL-UHFFFAOYSA-N 1 0 203.245 1.499 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C)cc1F ZINC000095971604 173364290 /nfs/dbraw/zinc/36/42/90/173364290.db2.gz XXLAQHVLBYHUNJ-SNVBAGLBSA-N 1 0 238.306 1.719 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)CCC(F)(F)F ZINC000132685836 173364307 /nfs/dbraw/zinc/36/43/07/173364307.db2.gz QIWGUZXAMZKSEN-SSDOTTSWSA-N 1 0 226.242 1.301 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C)o1 ZINC000132670929 173364344 /nfs/dbraw/zinc/36/43/44/173364344.db2.gz LCJJZSXDYUSVNV-MRVPVSSYSA-N 1 0 210.277 1.173 50 0 BDAARO C[NH2+]Cc1cc(-c2cccc(F)c2)n[nH]1 ZINC000050478932 173386159 /nfs/dbraw/zinc/38/61/59/173386159.db2.gz WFNDDKRJLKUGHU-UHFFFAOYSA-N 1 0 205.236 1.935 50 0 BDAARO C[NH2+]Cc1cc(OC)c(OC)c(OC)c1 ZINC000002569765 173387408 /nfs/dbraw/zinc/38/74/08/173387408.db2.gz LFULMNRPABTDDQ-UHFFFAOYSA-N 1 0 211.261 1.432 50 0 BDAARO C[NH2+]Cc1cc2cccc3c2n(c1=O)CC3 ZINC000008733258 173388134 /nfs/dbraw/zinc/38/81/34/173388134.db2.gz MALXQKOSFVSXSN-UHFFFAOYSA-N 1 0 214.268 1.277 50 0 biogenic BDAARO C[NH2+]Cc1ccc(-c2noc(C)n2)cc1 ZINC000004271695 173388232 /nfs/dbraw/zinc/38/82/32/173388232.db2.gz RRWDXYWBTQVTDH-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000012370354 173390065 /nfs/dbraw/zinc/39/00/65/173390065.db2.gz VHDVEBIJXKJALO-UHFFFAOYSA-N 1 0 202.261 1.046 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036877245 173394982 /nfs/dbraw/zinc/39/49/82/173394982.db2.gz YCGRQKXRDCOIGD-UHFFFAOYSA-N 1 0 231.255 1.525 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000133230077 173460786 /nfs/dbraw/zinc/46/07/86/173460786.db2.gz HVHRZAVVEKFOOA-GWJCSSMESA-N 1 0 245.326 1.305 50 0 BDAARO COC(=O)CC[C@@H]([NH3+])Cc1ccccc1 ZINC000038885005 173564960 /nfs/dbraw/zinc/56/49/60/173564960.db2.gz GNTXIYNIBVBPJG-LLVKDONJSA-N 1 0 207.273 1.510 50 0 BDAARO COC(=O)c1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000042782956 173879719 /nfs/dbraw/zinc/87/97/19/173879719.db2.gz RRKRINJSIUHTLK-GFCCVEGCSA-N 1 0 235.283 1.352 50 0 BDAARO COC1(C[NH2+]CCC(C)C)CCOCC1 ZINC000190788579 174001217 /nfs/dbraw/zinc/00/12/17/174001217.db2.gz LKMFNMRMCDVRAW-UHFFFAOYSA-N 1 0 215.337 1.818 50 0 BDAARO COCCN1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000071886616 174314884 /nfs/dbraw/zinc/31/48/84/174314884.db2.gz OLMYQNPCVPNDEW-HNNXBMFYSA-N 1 0 248.370 1.805 50 0 BDAARO COCC[NH2+]CCNC(=O)C1CCCCCC1 ZINC000212806093 174332010 /nfs/dbraw/zinc/33/20/10/174332010.db2.gz BASKKYMXHZCZPR-UHFFFAOYSA-N 1 0 242.363 1.309 50 0 BDAARO COCC[NH2+]Cc1cccc(F)c1F ZINC000035223345 174335550 /nfs/dbraw/zinc/33/55/50/174335550.db2.gz TUIGHPAVVOPTGX-UHFFFAOYSA-N 1 0 201.216 1.701 50 0 BDAARO COCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000008698515 174339054 /nfs/dbraw/zinc/33/90/54/174339054.db2.gz ZBOLNVWIGGSZDE-SNVBAGLBSA-N 1 0 244.335 1.232 50 0 BDAARO COCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000002499343 174339099 /nfs/dbraw/zinc/33/90/99/174339099.db2.gz KCZWUGOVLFXUDH-CYBMUJFWSA-N 1 0 205.301 1.780 50 0 BDAARO COCCn1c2cnccc2nc1[C@@H]1CC[NH2+]C1 ZINC000085347877 174427513 /nfs/dbraw/zinc/42/75/13/174427513.db2.gz WORHLKPLVLIMSS-SNVBAGLBSA-N 1 0 246.314 1.155 50 0 BDAARO COC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000195543452 174502318 /nfs/dbraw/zinc/50/23/18/174502318.db2.gz HUFCTXNUIDZTCU-GHMZBOCLSA-N 1 0 242.363 1.245 50 0 BDAARO CO[C@@H](C)c1nc(CN2CC[NH2+]CC2)cs1 ZINC000072314780 174720300 /nfs/dbraw/zinc/72/03/00/174720300.db2.gz KKPQNCNHQNXBOE-VIFPVBQESA-N 1 0 241.360 1.256 50 0 BDAARO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000037262831 174875008 /nfs/dbraw/zinc/87/50/08/174875008.db2.gz VBYFMUOQFLICQV-QWRGUYRKSA-N 1 0 228.336 1.058 50 0 BDAARO COc1cc(OC)c(C[C@@H](C)[NH3+])c(OC)c1 ZINC000002015684 175007276 /nfs/dbraw/zinc/00/72/76/175007276.db2.gz DDGNOUVDFKXADP-MRVPVSSYSA-N 1 0 225.288 1.602 50 0 in-vitro BDAARO COc1cc2c(c(OC)c1OC)[C@@H](C)[NH2+]CC2 ZINC000004566085 175020738 /nfs/dbraw/zinc/02/07/38/175020738.db2.gz VMFUYWSNWQYUTG-MRVPVSSYSA-N 1 0 237.299 1.919 50 0 in-vitro BDAARO COc1ccc(-c2cc(C[NH3+])ncn2)cc1 ZINC000020384129 175031478 /nfs/dbraw/zinc/03/14/78/175031478.db2.gz XUHUZPJVMQDVPG-UHFFFAOYSA-N 1 0 215.256 1.611 50 0 BDAARO COc1ccc(/C=C/C(=O)NCC[NH+](C)C)cc1 ZINC000010111495 175047211 /nfs/dbraw/zinc/04/72/11/175047211.db2.gz RVIFEGIFGXTRNO-RMKNXTFCSA-N 1 0 248.326 1.386 50 0 BDAARO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000000039081 175058545 /nfs/dbraw/zinc/05/85/45/175058545.db2.gz QINQLOVXHARUIJ-UHFFFAOYSA-N 1 0 248.326 1.519 50 0 BDAARO COc1ccc(C(=O)OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042768867 175065149 /nfs/dbraw/zinc/06/51/49/175065149.db2.gz QGXNQEMYQMZNOO-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO COc1ccc(C(=O)O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042768852 175065579 /nfs/dbraw/zinc/06/55/79/175065579.db2.gz QSZQEXQRRXMAKL-GFCCVEGCSA-N 1 0 235.283 1.604 50 0 BDAARO COc1ccc(C2([NH3+])CCOCC2)cc1 ZINC000011833625 175084190 /nfs/dbraw/zinc/08/41/90/175084190.db2.gz JIXHHFBHQNKYDO-UHFFFAOYSA-N 1 0 207.273 1.660 50 0 BDAARO COc1ccc(F)cc1CN1CC[NH2+]CC1 ZINC000020268128 175128716 /nfs/dbraw/zinc/12/87/16/175128716.db2.gz WSVHAGDWEZZIGZ-UHFFFAOYSA-N 1 0 224.279 1.240 50 0 BDAARO COc1ccc(N)cc1OCC[NH+](C)C ZINC000013806207 175138627 /nfs/dbraw/zinc/13/86/27/175138627.db2.gz WFMRAKZOFYATRY-UHFFFAOYSA-N 1 0 210.277 1.218 50 0 BDAARO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000011958687 175145167 /nfs/dbraw/zinc/14/51/67/175145167.db2.gz LXHBAITXXCTISP-NSHDSACASA-N 1 0 222.288 1.617 50 0 BDAARO COc1ccc(N[C@@H]2CCC[NH2+]C2)cc1OC ZINC000043324008 175154364 /nfs/dbraw/zinc/15/43/64/175154364.db2.gz KGPGXJNMOOKBMX-LLVKDONJSA-N 1 0 236.315 1.868 50 0 BDAARO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1OC ZINC000043324009 175155766 /nfs/dbraw/zinc/15/57/66/175155766.db2.gz KGPGXJNMOOKBMX-NSHDSACASA-N 1 0 236.315 1.868 50 0 BDAARO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000106178113 175182980 /nfs/dbraw/zinc/18/29/80/175182980.db2.gz DJCQMCYREBSNLY-ZYHUDNBSSA-N 1 0 248.326 1.358 50 0 BDAARO COc1cccc(CCC[NH+]2CCOCC2)c1 ZINC000158210780 175251273 /nfs/dbraw/zinc/25/12/73/175251273.db2.gz OZRODAHZKOZKMF-UHFFFAOYSA-N 1 0 235.327 1.960 50 0 BDAARO COc1cccc(C[NH2+]CCN(C)C)c1OC ZINC000019256801 175264117 /nfs/dbraw/zinc/26/41/17/175264117.db2.gz DRDMCCBSCNOUAW-UHFFFAOYSA-N 1 0 238.331 1.355 50 0 BDAARO COc1cccc(OCC[NH2+]C2CC2)c1 ZINC000020525146 175283329 /nfs/dbraw/zinc/28/33/29/175283329.db2.gz WJFXKLXJOHUXCU-UHFFFAOYSA-N 1 0 207.273 1.826 50 0 BDAARO COc1cccc([C@H]2CCC[N@@H+]2CCC(N)=O)c1 ZINC000009903211 175296016 /nfs/dbraw/zinc/29/60/16/175296016.db2.gz NQOSMWZZOJIQPW-CYBMUJFWSA-N 1 0 248.326 1.708 50 0 BDAARO COc1ccccc1C1(C[NH3+])CCOCC1 ZINC000011848934 175320009 /nfs/dbraw/zinc/32/00/09/175320009.db2.gz YVEFLGKUJCGDRZ-UHFFFAOYSA-N 1 0 221.300 1.702 50 0 BDAARO COc1ccccc1CC(=O)NCC[C@@H](C)[NH3+] ZINC000063170319 175321374 /nfs/dbraw/zinc/32/13/74/175321374.db2.gz DSVPCHRHAGOBDY-SNVBAGLBSA-N 1 0 236.315 1.091 50 0 BDAARO COc1ccccc1CCN1CC[NH2+]CC1 ZINC000019801177 175322084 /nfs/dbraw/zinc/32/20/84/175322084.db2.gz SMYVCLYJLPIIME-UHFFFAOYSA-N 1 0 220.316 1.143 50 0 BDAARO COc1ccccc1[C@H](C[NH3+])N1CCOCC1 ZINC000019201087 175353729 /nfs/dbraw/zinc/35/37/29/175353729.db2.gz LLHJMZDWRQDJAN-LBPRGKRZSA-N 1 0 236.315 1.027 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000063193433 175810770 /nfs/dbraw/zinc/81/07/70/175810770.db2.gz UOUPBGCZAGQZKH-PWSUYJOCSA-N 1 0 233.315 1.424 50 0 BDAARO C[C@@H](c1cccc(N)c1)[NH+]1CCOCC1 ZINC000019730815 176018216 /nfs/dbraw/zinc/01/82/16/176018216.db2.gz FGFSGBJDBYGTJD-JTQLQIEISA-N 1 0 206.289 1.662 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000235298206 176051757 /nfs/dbraw/zinc/05/17/57/176051757.db2.gz QFKBIWBIFCGIRN-MDZLAQPJSA-N 1 0 227.348 1.552 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCCO)C1 ZINC000084686141 176052109 /nfs/dbraw/zinc/05/21/09/176052109.db2.gz VEQYPHJTDIRONH-DGCLKSJQSA-N 1 0 229.364 1.536 50 0 BDAARO C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH2+]2)C1 ZINC000092742872 176093297 /nfs/dbraw/zinc/09/32/97/176093297.db2.gz LXTDAXNZJDWCHV-NEPJUHHUSA-N 1 0 240.347 1.997 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000019412105 176094656 /nfs/dbraw/zinc/09/46/56/176094656.db2.gz LBUYTNUCAWAENU-GHMZBOCLSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCC2)C1 ZINC000071933243 176098897 /nfs/dbraw/zinc/09/88/97/176098897.db2.gz JLDKYVLDSVQGFS-GFCCVEGCSA-N 1 0 239.363 1.524 50 0 BDAARO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000004989207 176145549 /nfs/dbraw/zinc/14/55/49/176145549.db2.gz QXPOPAWVLRBGAF-GRYCIOLGSA-N 1 0 224.348 1.823 50 0 BDAARO C[C@@H]1CN(C(=O)C[NH+]2CCCCCC2)CCO1 ZINC000058403705 176246576 /nfs/dbraw/zinc/24/65/76/176246576.db2.gz WQGKPQUYXBEZSR-GFCCVEGCSA-N 1 0 240.347 1.110 50 0 BDAARO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000024032225 176286897 /nfs/dbraw/zinc/28/68/97/176286897.db2.gz OTUAZIVSNAOXJJ-GFCCVEGCSA-N 1 0 248.326 1.736 50 0 BDAARO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCCCF ZINC000252508301 176347672 /nfs/dbraw/zinc/34/76/72/176347672.db2.gz XJOMIMJGSGCNHN-GHMZBOCLSA-N 1 0 219.300 1.208 50 0 BDAARO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000082164340 176369036 /nfs/dbraw/zinc/36/90/36/176369036.db2.gz WKMNQHVVKMVXIL-RKDXNWHRSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ncnn1C ZINC000193139645 177063764 /nfs/dbraw/zinc/06/37/64/177063764.db2.gz HMXHGGOHCJIEAH-VHSXEESVSA-N 1 0 222.336 1.729 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000040461080 177074206 /nfs/dbraw/zinc/07/42/06/177074206.db2.gz CJGYWRYITGLFND-RYUDHWBXSA-N 1 0 240.347 1.156 50 0 BDAARO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000032668114 177081717 /nfs/dbraw/zinc/08/17/17/177081717.db2.gz ALDKSOPRCFWEIR-RYUDHWBXSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccccc2)[C@@H]1C[NH3+] ZINC000070534473 177095400 /nfs/dbraw/zinc/09/54/00/177095400.db2.gz BKXMYRRMVPQVMI-WCQYABFASA-N 1 0 232.327 1.886 50 0 BDAARO C[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000014193771 177096699 /nfs/dbraw/zinc/09/66/99/177096699.db2.gz USOZYHVFGPQFPQ-NSHDSACASA-N 1 0 224.348 1.777 50 0 BDAARO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(=O)c(O)co1 ZINC000096441776 177185334 /nfs/dbraw/zinc/18/53/34/177185334.db2.gz STJOBDVPGUQTKJ-VHSXEESVSA-N 1 0 237.299 1.966 50 0 BDAARO C[C@H]1CC[C@H](C)N1C(=O)CC1CC[NH2+]CC1 ZINC000237608441 177198756 /nfs/dbraw/zinc/19/87/56/177198756.db2.gz GWACRASLCJGGBZ-QWRGUYRKSA-N 1 0 224.348 1.776 50 0 BDAARO C[C@H]1CC[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000084237591 177203362 /nfs/dbraw/zinc/20/33/62/177203362.db2.gz ZKBBQGSSDAJNKG-IUCAKERBSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@H]1CN(C(=O)CC[NH3+])[C@H](c2ccccc2)CO1 ZINC000237584119 177214666 /nfs/dbraw/zinc/21/46/66/177214666.db2.gz WYZKQAIULGZMIN-AAEUAGOBSA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000012955294 177221804 /nfs/dbraw/zinc/22/18/04/177221804.db2.gz NUZXPHIQZUYMOR-DTORHVGOSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000154735806 177240698 /nfs/dbraw/zinc/24/06/98/177240698.db2.gz XZVQHRQGOCHBGS-WDEREUQCSA-N 1 0 247.342 1.453 50 0 BDAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@H](C)CO1 ZINC000225219887 177301669 /nfs/dbraw/zinc/30/16/69/177301669.db2.gz USXZGNLJLFECDB-TUAOUCFPSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000043304304 177311207 /nfs/dbraw/zinc/31/12/07/177311207.db2.gz PPTRFPMRCBHLQQ-FRRDWIJNSA-N 1 0 238.375 1.975 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC000128724683 177332009 /nfs/dbraw/zinc/33/20/09/177332009.db2.gz ANKKXYNZXLKOTE-MDZLAQPJSA-N 1 0 238.375 1.927 50 0 BDAARO C[C@H]1C[C@H](C)C[NH+](CCN2CCOC2=O)C1 ZINC000065592224 177358366 /nfs/dbraw/zinc/35/83/66/177358366.db2.gz LLJNLYFHJBOECO-QWRGUYRKSA-N 1 0 226.320 1.417 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000163341777 177390437 /nfs/dbraw/zinc/39/04/37/177390437.db2.gz GCMMLDGCOHMHIJ-HZMBPMFUSA-N 1 0 248.301 1.666 50 0 BDAARO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccccc1 ZINC000085727085 177395482 /nfs/dbraw/zinc/39/54/82/177395482.db2.gz WMBYWJVOFMWFNQ-PWSUYJOCSA-N 1 0 218.300 1.557 50 0 BDAARO C[C@](O)(C[NH3+])c1ccc(Br)cc1 ZINC000011803534 177448814 /nfs/dbraw/zinc/44/88/14/177448814.db2.gz QJGNVTOFOKTFAU-VIFPVBQESA-N 1 0 230.105 1.615 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000493414578 226209136 /nfs/dbraw/zinc/20/91/36/226209136.db2.gz BVGJUCLXSBTMBQ-FWWRYZNZSA-N 1 0 230.311 1.568 50 0 BDAARO CCN(C[C@@H]1CCCO1)C(=O)CC(C)(C)[NH3+] ZINC000082772298 487730543 /nfs/dbraw/zinc/73/05/43/487730543.db2.gz OZUPWIDWTJLUIP-JTQLQIEISA-N 1 0 228.336 1.141 50 0 BDAARO Cn1ncnc1SCC[NH+]1CCCCC1 ZINC000097375555 322972310 /nfs/dbraw/zinc/97/23/10/322972310.db2.gz BLYGTJBAZOSVET-UHFFFAOYSA-N 1 0 226.349 1.393 50 0 BDAARO COCC(=O)NC[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000534637125 323157119 /nfs/dbraw/zinc/15/71/19/323157119.db2.gz NDOHFZUNXBHXQM-LLVKDONJSA-N 1 0 240.347 1.014 50 0 BDAARO C[NH2+]CC1CCN(c2noc(C(C)C)n2)CC1 ZINC000534649873 323157251 /nfs/dbraw/zinc/15/72/51/323157251.db2.gz OOIBBCWJMFXXHO-UHFFFAOYSA-N 1 0 238.335 1.629 50 0 BDAARO O=C(C[NH+]1CCCC1)NCC[C@@H]1CCCOC1 ZINC000534656855 323157962 /nfs/dbraw/zinc/15/79/62/323157962.db2.gz LHJIRCUTTMQVIE-LBPRGKRZSA-N 1 0 240.347 1.015 50 0 BDAARO CCc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC000536952208 323958139 /nfs/dbraw/zinc/95/81/39/323958139.db2.gz OCLAVVPYXMZICA-LLVKDONJSA-N 1 0 206.289 1.775 50 0 BDAARO CC(C)Cn1cc(CN(C)[C@@H]2CC[NH2+]C2)cn1 ZINC000564969593 325837022 /nfs/dbraw/zinc/83/70/22/325837022.db2.gz UVPDPRIPCBMCPA-CYBMUJFWSA-N 1 0 236.363 1.333 50 0 BDAARO CC(C)C[C@H]1CN(CCn2cnnc2)CCO1 ZINC000670453209 487506950 /nfs/dbraw/zinc/50/69/50/487506950.db2.gz DBQCMJLCWQHDBN-LBPRGKRZSA-N 1 0 238.335 1.025 50 0 BDAARO O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccoc1)C2 ZINC000670468954 487522674 /nfs/dbraw/zinc/52/26/74/487522674.db2.gz FXIBZJJKXFPKOC-NEPJUHHUSA-N 1 0 234.299 1.380 50 0 BDAARO CCNC(=O)N1CC[N@H+](C)CC12CCCC2 ZINC000085558089 488184543 /nfs/dbraw/zinc/18/45/43/488184543.db2.gz VBABQOBMKKUCCY-UHFFFAOYSA-N 1 0 225.336 1.276 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC000108468966 490141380 /nfs/dbraw/zinc/14/13/80/490141380.db2.gz WHTLRLOOPCQAJD-RWMBFGLXSA-N 1 0 229.364 1.752 50 0 BDAARO Cc1cc(N2CC([NH+]3CCCC3)C2)nc(C)n1 ZINC000585092611 491075534 /nfs/dbraw/zinc/07/55/34/491075534.db2.gz GUZREQJGXWCTHW-UHFFFAOYSA-N 1 0 232.331 1.378 50 0 BDAARO C[NH+](C)C[C@@H]1COc2ccccc2C1=O ZINC000004362195 491084862 /nfs/dbraw/zinc/08/48/62/491084862.db2.gz OVRQFVONVIPSQQ-SECBINFHSA-N 1 0 205.257 1.440 50 0 BDAARO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH3+])n2)c1 ZINC000082643900 491126241 /nfs/dbraw/zinc/12/62/41/491126241.db2.gz MAIJOWVKWQZREO-SSDOTTSWSA-N 1 0 203.249 1.195 50 0 BDAARO COc1ccccc1/C=C\C(=O)N1CC[C@H]([NH3+])C1 ZINC000493797271 533953592 /nfs/dbraw/zinc/95/35/92/533953592.db2.gz VDQNZHYWTZKXEV-DGMVEKRQSA-N 1 0 246.310 1.268 50 0 BDAARO [NH3+][C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000020457117 518197765 /nfs/dbraw/zinc/19/77/65/518197765.db2.gz MOFLDIVZDXWOLI-NSHDSACASA-N 1 0 206.289 1.315 50 0 BDAARO C/C=C\CCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000229842018 518556411 /nfs/dbraw/zinc/55/64/11/518556411.db2.gz LHOHNIWHPJIGKD-FHMRSRPSSA-N 1 0 239.363 1.736 50 0 BDAARO CCO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000085372809 520317122 /nfs/dbraw/zinc/31/71/22/520317122.db2.gz QQWJPRVNTDSSPR-WOPDTQHZSA-N 1 0 240.347 1.141 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@H]1C ZINC000242106189 522782299 /nfs/dbraw/zinc/78/22/99/522782299.db2.gz WHTLRLOOPCQAJD-JHJVBQTASA-N 1 0 229.364 1.752 50 0 BDAARO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)o1 ZINC000153429270 524227588 /nfs/dbraw/zinc/22/75/88/524227588.db2.gz ZPFVCSQCILPOCC-NXEZZACHSA-N 1 0 236.315 1.719 50 0 BDAARO Cc1cc(C)nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000252512470 524582241 /nfs/dbraw/zinc/58/22/41/524582241.db2.gz QZJIKDYYHZJSDZ-VXGBXAGGSA-N 1 0 234.347 1.622 50 0 BDAARO COc1ccccc1[C@H]1CCCN1C(=O)CC[NH3+] ZINC000083906197 524808011 /nfs/dbraw/zinc/80/80/11/524808011.db2.gz QLQMFEKRLPHKNQ-GFCCVEGCSA-N 1 0 248.326 1.708 50 0 BDAARO Cc1ccc(OC/C=C/CN2CC[NH2+]CC2)cc1 ZINC000023114628 525371082 /nfs/dbraw/zinc/37/10/82/525371082.db2.gz FWSAPHFNDZMQKQ-NSCUHMNNSA-N 1 0 246.354 1.835 50 0 BDAARO c1ccc(C[NH2+]CCOc2ccccn2)nc1 ZINC000035287224 526471898 /nfs/dbraw/zinc/47/18/98/526471898.db2.gz DLTPOKOEWYWQAP-UHFFFAOYSA-N 1 0 229.283 1.645 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000253394210 536363255 /nfs/dbraw/zinc/36/32/55/536363255.db2.gz ALWORZOEFFWKAC-LOWVWBTDSA-N 1 0 247.342 1.647 50 0 BDAARO COCCOc1ccccc1N1CC[NH2+]CC1 ZINC000043461309 536735895 /nfs/dbraw/zinc/73/58/95/536735895.db2.gz NFRLINULGVNEBU-UHFFFAOYSA-N 1 0 236.315 1.121 50 0 BDAARO CC1=[N+](C)c2ccccc2N(C)C(=O)C1 ZINC000001994971 566316856 /nfs/dbraw/zinc/31/68/56/566316856.db2.gz KRPYKVWUPPDKKF-UHFFFAOYSA-N 1 0 203.265 1.788 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@H](CN)[NH2+]C1 ZINC000757207398 582559268 /nfs/dbraw/zinc/55/92/68/582559268.db2.gz ATMMMKHAVVMEFZ-WDEREUQCSA-N 1 0 244.342 1.666 50 0 BDAARO CC[N@@H+]1CCC[C@@](O)(CNCc2ccncc2)C1 ZINC000046087896 583151154 /nfs/dbraw/zinc/15/11/54/583151154.db2.gz FCXVRVLSWBODOU-CQSZACIVSA-N 1 0 249.358 1.018 50 0 BDAARO Cc1cc([C@@H]2CCC[N@H+](C[C@H]3CCOC3)C2)[nH]n1 ZINC000685939589 583207785 /nfs/dbraw/zinc/20/77/85/583207785.db2.gz SGJPJTTUMCQXNR-CHWSQXEVSA-N 1 0 249.358 1.934 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccc1F ZINC000126355714 583210320 /nfs/dbraw/zinc/21/03/20/583210320.db2.gz JYEQFNVUZGUDIU-MLRMMBSGSA-N 1 0 248.301 1.659 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000020221785 590089884 /nfs/dbraw/zinc/08/98/84/590089884.db2.gz ORIKFZRVWPCELV-QMMMGPOBSA-N 1 0 228.089 1.711 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000877870930 590434184 /nfs/dbraw/zinc/43/41/84/590434184.db2.gz IVUKWACLMOJZIM-GFCCVEGCSA-N 1 0 247.342 1.047 50 0 BDAARO CCOCC[NH2+][C@@H]1CC[C@@H](c2nccn2C)C1 ZINC000888098335 635375568 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/nfs/dbraw/zinc/33/02/92/187330292.db2.gz SQQJLJBAMHESMN-MNOVXSKESA-N 1 0 247.404 1.600 50 0 BDAARO CC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000097112610 398236970 /nfs/dbraw/zinc/23/69/70/398236970.db2.gz ALQNMMYHBBMSAF-LOWVWBTDSA-N 1 0 235.327 1.912 50 0 BDAARO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCO2)ccn1 ZINC000097108708 398237725 /nfs/dbraw/zinc/23/77/25/398237725.db2.gz RZJIXBLIOHEUQF-PWSUYJOCSA-N 1 0 236.315 1.747 50 0 BDAARO Cc1nc(CC[NH2+]Cc2c[nH]nc2C)cs1 ZINC000097159590 398246940 /nfs/dbraw/zinc/24/69/40/398246940.db2.gz XUHVOXMLLYRSGD-UHFFFAOYSA-N 1 0 236.344 1.815 50 0 BDAARO C[C@]([NH3+])(CO)Cc1ccc(Br)cc1 ZINC000235699593 398253527 /nfs/dbraw/zinc/25/35/27/398253527.db2.gz WMYIXIRNYLRYKD-SNVBAGLBSA-N 1 0 244.132 1.701 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])o1 ZINC000063193686 178387224 /nfs/dbraw/zinc/38/72/24/178387224.db2.gz OGFVRDKNMAQOLA-WDEREUQCSA-N 1 0 236.315 1.930 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1F ZINC000088059232 178392259 /nfs/dbraw/zinc/39/22/59/178392259.db2.gz UNBGZVZMEUUEIR-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO CC[NH+](CC)CCNc1nc(C)cc(C)n1 ZINC000000150093 342677460 /nfs/dbraw/zinc/67/74/60/342677460.db2.gz KTJAHULDOTXWQZ-UHFFFAOYSA-N 1 0 222.336 1.847 50 0 BDAARO Cc1ccc[n+](Oc2ncccc2N)c1 ZINC000000335036 342683811 /nfs/dbraw/zinc/68/38/11/342683811.db2.gz VOMPUPFJBOQNHS-UHFFFAOYSA-N 1 0 202.237 1.102 50 0 BDAARO CCOC(=O)CSCC[NH+]1CCCCC1 ZINC000002184307 342716698 /nfs/dbraw/zinc/71/66/98/342716698.db2.gz QLYPJZORDTZIDW-UHFFFAOYSA-N 1 0 231.361 1.769 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000004202259 342743732 /nfs/dbraw/zinc/74/37/32/342743732.db2.gz KHPQHXGYYXYTDN-SECBINFHSA-N 1 0 214.309 1.511 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000004202979 342744114 /nfs/dbraw/zinc/74/41/14/342744114.db2.gz AKVIZYGPJIWKOS-DTWKUNHWSA-N 1 0 214.309 1.781 50 0 BDAARO Cn1c2ccccc2nc1CCCC[NH3+] ZINC000004535856 342748917 /nfs/dbraw/zinc/74/89/17/342748917.db2.gz AEYIOAIKPNBNDG-UHFFFAOYSA-N 1 0 203.289 1.855 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]1CC[NH3+] ZINC000002527459 342722708 /nfs/dbraw/zinc/72/27/08/342722708.db2.gz VCYKQOGWPICUKV-VIFPVBQESA-N 1 0 214.309 1.735 50 0 BDAARO Cc1c(Br)cnn1CCC[NH3+] ZINC000002545439 342723588 /nfs/dbraw/zinc/72/35/88/342723588.db2.gz MGSWMSBYRUZRIR-UHFFFAOYSA-N 1 0 218.098 1.303 50 0 BDAARO CC(C)[NH+](CCNC(=O)c1ccn[nH]1)C(C)C ZINC000048015282 342727076 /nfs/dbraw/zinc/72/70/76/342727076.db2.gz WEXINBXHHJYBOM-UHFFFAOYSA-N 1 0 238.335 1.258 50 0 BDAARO C[C@H](O)C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000002879679 342727584 /nfs/dbraw/zinc/72/75/84/342727584.db2.gz NFFZATZVFAYFFR-NSHDSACASA-N 1 0 235.327 1.525 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000003285419 342732192 /nfs/dbraw/zinc/73/21/92/342732192.db2.gz OWKAREWNOLQNOG-VIFPVBQESA-N 1 0 213.664 1.903 50 0 BDAARO Cc1ccc(NC(=O)CSC(N)=[NH2+])c(C)c1 ZINC000005362678 342762524 /nfs/dbraw/zinc/76/25/24/342762524.db2.gz QCISMSVNOJAOCT-UHFFFAOYSA-N 1 0 237.328 1.869 50 0 BDAARO CCOCCC(=O)N(C)C[C@H]1CCCC[N@@H+]1C ZINC000584899518 342776891 /nfs/dbraw/zinc/77/68/91/342776891.db2.gz YANGHHALWIVPMF-GFCCVEGCSA-N 1 0 242.363 1.356 50 0 BDAARO O=C(c1ccco1)N1CCC([NH+]2CCCC2)CC1 ZINC000004744153 342751525 /nfs/dbraw/zinc/75/15/25/342751525.db2.gz KQEGLIQUJKEXSZ-UHFFFAOYSA-N 1 0 248.326 1.980 50 0 BDAARO CC1(C)COC[C@H]1[NH2+]Cc1ccncc1F ZINC000336227773 342788442 /nfs/dbraw/zinc/78/84/42/342788442.db2.gz GTOHKSRUTQWCHZ-LLVKDONJSA-N 1 0 224.279 1.735 50 0 BDAARO CC[N@H+](CC(=O)NC(N)=O)Cc1ccccc1C ZINC000048059186 342794005 /nfs/dbraw/zinc/79/40/05/342794005.db2.gz DHHOQFXGFIZHKG-UHFFFAOYSA-N 1 0 249.314 1.012 50 0 BDAARO COC[C@H](O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000106853888 398286140 /nfs/dbraw/zinc/28/61/40/398286140.db2.gz PCGANPZUXZHYLQ-QWHCGFSZSA-N 1 0 229.364 1.752 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000011958623 342845231 /nfs/dbraw/zinc/84/52/31/342845231.db2.gz KPNFBSUXROXSCA-JTQLQIEISA-N 1 0 210.252 1.748 50 0 BDAARO Cc1ccc2cc(CC[NH3+])c(=O)[nH]c2c1 ZINC000011980270 342845684 /nfs/dbraw/zinc/84/56/84/342845684.db2.gz KRWHBJSGMFFHOJ-UHFFFAOYSA-N 1 0 202.257 1.338 50 0 BDAARO Cc1ccc(N2C(=O)C[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000012416610 342851769 /nfs/dbraw/zinc/85/17/69/342851769.db2.gz PTNVQUCRQHQMJM-GFCCVEGCSA-N 1 0 244.294 1.379 50 0 BDAARO [NH3+][C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000015014806 342890675 /nfs/dbraw/zinc/89/06/75/342890675.db2.gz USPVRBVWGQTTLY-QMMMGPOBSA-N 1 0 210.664 1.404 50 0 BDAARO O=S1(=O)CC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000016741335 342915143 /nfs/dbraw/zinc/91/51/43/342915143.db2.gz VRMKOSISKYDBML-NSHDSACASA-N 1 0 243.303 1.102 50 0 BDAARO Cc1cc(C)n(-c2cccc(C[NH3+])c2)n1 ZINC000016941752 342917585 /nfs/dbraw/zinc/91/75/85/342917585.db2.gz ZJVOENCSXHJOQL-UHFFFAOYSA-N 1 0 201.273 1.948 50 0 BDAARO C[C@@H]([NH2+]Cc1nccn1C)[C@@H](C)n1cccn1 ZINC000069368360 398329710 /nfs/dbraw/zinc/32/97/10/398329710.db2.gz TVZWBTLZDIATPC-GHMZBOCLSA-N 1 0 233.319 1.356 50 0 BDAARO c1ncn(C[C@@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000069490119 398330319 /nfs/dbraw/zinc/33/03/19/398330319.db2.gz YCWWKBIVZRJXJT-ZDUSSCGKSA-N 1 0 234.347 1.933 50 0 BDAARO COc1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000019366952 342947321 /nfs/dbraw/zinc/94/73/21/342947321.db2.gz YEOXLCZSXSVSCH-UHFFFAOYSA-N 1 0 220.316 1.491 50 0 BDAARO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019412552 342948282 /nfs/dbraw/zinc/94/82/82/342948282.db2.gz DTYKOJRBMVPGJT-LLVKDONJSA-N 1 0 204.273 1.686 50 0 BDAARO CCOC(=O)c1ccccc1CSC(N)=[NH2+] ZINC000012367884 346894997 /nfs/dbraw/zinc/89/49/97/346894997.db2.gz RCYFXRTUQFVLAD-UHFFFAOYSA-N 1 0 238.312 1.990 50 0 BDAARO O=C(c1ccc(Cl)cc1)N1CCC[NH2+]CC1 ZINC000019679982 342953614 /nfs/dbraw/zinc/95/36/14/342953614.db2.gz SPPJCNFPUIZLBA-UHFFFAOYSA-N 1 0 238.718 1.776 50 0 BDAARO CCOc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019409040 342947635 /nfs/dbraw/zinc/94/76/35/342947635.db2.gz FCDIGHCGJHTCJX-GFCCVEGCSA-N 1 0 234.299 1.776 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000019784035 342957403 /nfs/dbraw/zinc/95/74/03/342957403.db2.gz CRKWPUWWNLOVGH-SNVBAGLBSA-N 1 0 239.271 1.267 50 0 BDAARO C(CN1CCOCC1)[NH2+]C1CCCCCC1 ZINC000019953921 342964199 /nfs/dbraw/zinc/96/41/99/342964199.db2.gz QKFPVZDJXQMFKI-UHFFFAOYSA-N 1 0 226.364 1.631 50 0 BDAARO O=C(C[NH2+]C[C@H]1CCCO1)Nc1ccccc1 ZINC000020055606 342967370 /nfs/dbraw/zinc/96/73/70/342967370.db2.gz VEEZSQSLLPIGMR-GFCCVEGCSA-N 1 0 234.299 1.394 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000020579368 342991719 /nfs/dbraw/zinc/99/17/19/342991719.db2.gz PCJCLTWTQHCCRS-VIFPVBQESA-N 1 0 211.236 1.116 50 0 BDAARO CC[NH+](CC)CCNC(=O)Cc1ccccc1C ZINC000020442952 342985409 /nfs/dbraw/zinc/98/54/09/342985409.db2.gz VNGKIHSHYFDFIJ-UHFFFAOYSA-N 1 0 248.370 1.996 50 0 BDAARO O=C(c1ccc(F)cc1F)N1CCC[NH2+]CC1 ZINC000021954492 343029858 /nfs/dbraw/zinc/02/98/58/343029858.db2.gz IFNULIFLCMMIDX-UHFFFAOYSA-N 1 0 240.253 1.400 50 0 BDAARO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)n1cccn1 ZINC000022211798 343044294 /nfs/dbraw/zinc/04/42/94/343044294.db2.gz AEFLDURKLNJTLF-JTQLQIEISA-N 1 0 244.298 1.542 50 0 BDAARO CC[C@@H](O)C[N@H+](C)CCc1ccncc1 ZINC000048260740 343055897 /nfs/dbraw/zinc/05/58/97/343055897.db2.gz JVKFFROXLRURTB-GFCCVEGCSA-N 1 0 208.305 1.327 50 0 BDAARO Clc1ccc(NCCN2CC[NH2+]CC2)cc1 ZINC000022917477 343056606 /nfs/dbraw/zinc/05/66/06/343056606.db2.gz JXPWMXZXMFWBGT-UHFFFAOYSA-N 1 0 239.750 1.657 50 0 BDAARO COC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000042643873 362014366 /nfs/dbraw/zinc/01/43/66/362014366.db2.gz AQPPLEVCNSGEFW-GFCCVEGCSA-N 1 0 219.284 1.779 50 0 BDAARO CC[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000024824984 343077917 /nfs/dbraw/zinc/07/79/17/343077917.db2.gz JCXQIEAZTQZZPQ-UHFFFAOYSA-N 1 0 237.303 1.653 50 0 BDAARO C[C@H]1CC[C@@H]([NH2+]CCN2CCOCC2)C1 ZINC000022455239 343140173 /nfs/dbraw/zinc/14/01/73/343140173.db2.gz HAFDVCGIMRQIPE-NWDGAFQWSA-N 1 0 212.337 1.097 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000004203949 187246633 /nfs/dbraw/zinc/24/66/33/187246633.db2.gz LGEWGFOMLJQHLL-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO C[NH+](C)CCOC(=O)Cc1ccccc1 ZINC000004723173 187247335 /nfs/dbraw/zinc/24/73/35/187247335.db2.gz KJAORRLXEXMTSY-UHFFFAOYSA-N 1 0 207.273 1.334 50 0 BDAARO C1=Cc2cccc(OC[C@H]3C[NH2+]CCO3)c2C1 ZINC000000900543 187244924 /nfs/dbraw/zinc/24/49/24/187244924.db2.gz MADRVGBADLFHMO-GFCCVEGCSA-N 1 0 231.295 1.623 50 0 world BDAARO Cn1ccnc1COc1ccc(CC[NH3+])cc1 ZINC000031978073 343227121 /nfs/dbraw/zinc/22/71/21/343227121.db2.gz PEQZNJJJIKHFPP-UHFFFAOYSA-N 1 0 231.299 1.500 50 0 BDAARO Nc1cc(CCC[NH3+])nn1-c1ccccc1 ZINC000012879706 187250332 /nfs/dbraw/zinc/25/03/32/187250332.db2.gz PYJQFEIWSPVLHX-UHFFFAOYSA-N 1 0 216.288 1.346 50 0 BDAARO CNC(=O)CC[NH2+]CCC1=CCCCC1 ZINC000019736970 187252412 /nfs/dbraw/zinc/25/24/12/187252412.db2.gz YFOOQYCLUUIQJZ-UHFFFAOYSA-N 1 0 210.321 1.603 50 0 BDAARO Cc1ccsc1C[NH+]1CCC(C(N)=O)CC1 ZINC000023281842 343272945 /nfs/dbraw/zinc/27/29/45/343272945.db2.gz PGOGABLAZOJYTQ-UHFFFAOYSA-N 1 0 238.356 1.754 50 0 BDAARO Fc1ccc(COC2C[NH2+]C2)c(Cl)c1 ZINC000034928754 343280882 /nfs/dbraw/zinc/28/08/82/343280882.db2.gz ANVZERPGEDJKHL-UHFFFAOYSA-N 1 0 215.655 1.968 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])CC1 ZINC000025336365 187254850 /nfs/dbraw/zinc/25/48/50/187254850.db2.gz YCOKHOLOSGJEGL-SECBINFHSA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(C)OC(=O)N=c1[nH]cc(C[NH3+])s1 ZINC000035904877 343305128 /nfs/dbraw/zinc/30/51/28/343305128.db2.gz BJBOIRJERIUSFM-UHFFFAOYSA-N 1 0 229.305 1.949 50 0 BDAARO O=C([C@H]1C[C@@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000038478292 343375132 /nfs/dbraw/zinc/37/51/32/343375132.db2.gz YCLPEQPVIBGQNZ-UWVGGRQHSA-N 1 0 236.340 1.283 50 0 BDAARO O=C([C@H]1C[C@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000038478353 343375498 /nfs/dbraw/zinc/37/54/98/343375498.db2.gz WHBRACGDXAWFBY-STQMWFEESA-N 1 0 230.311 1.222 50 0 BDAARO CC(C)=CCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000070004939 187258471 /nfs/dbraw/zinc/25/84/71/187258471.db2.gz SFLVGDDRWLACES-LBPRGKRZSA-N 1 0 212.337 1.215 50 0 BDAARO CC(C)CNC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000048614636 343394409 /nfs/dbraw/zinc/39/44/09/343394409.db2.gz WABPMHBQAVBVRQ-RYUDHWBXSA-N 1 0 226.364 1.737 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000040448612 343404072 /nfs/dbraw/zinc/40/40/72/343404072.db2.gz CQJSNQCNXVJXDM-UWVGGRQHSA-N 1 0 226.320 1.463 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000041028247 343412305 /nfs/dbraw/zinc/41/23/05/343412305.db2.gz LSBGRPBPALRYFA-NSHDSACASA-N 1 0 222.263 1.389 50 0 BDAARO C[C@H](C[NH3+])CN(C)C(=O)OC(C)(C)C ZINC000042455155 343438934 /nfs/dbraw/zinc/43/89/34/343438934.db2.gz WYXUVCSRTALUSF-MRVPVSSYSA-N 1 0 202.298 1.448 50 0 BDAARO [NH3+][C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 ZINC000042414751 343436588 /nfs/dbraw/zinc/43/65/88/343436588.db2.gz UTNCBGXZYDIMMH-SNVBAGLBSA-N 1 0 216.244 1.048 50 0 BDAARO O=C(OCCC1CC[NH2+]CC1)c1cccnc1 ZINC000042769490 343451256 /nfs/dbraw/zinc/45/12/56/343451256.db2.gz MLHVHLFMLOASQU-UHFFFAOYSA-N 1 0 234.299 1.628 50 0 BDAARO COC(=O)c1ccccc1OC[C@H]1CCC[NH2+]C1 ZINC000042775631 343452616 /nfs/dbraw/zinc/45/26/16/343452616.db2.gz ILJUEYZJRIQTBS-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO CN(CC1CCOCC1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000042783721 343453679 /nfs/dbraw/zinc/45/36/79/343453679.db2.gz DJZGMOBGCBETFO-GFCCVEGCSA-N 1 0 240.347 1.014 50 0 BDAARO C([C@@H]1CCCO1)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000076710119 187261843 /nfs/dbraw/zinc/26/18/43/187261843.db2.gz ANHZODBVTUMFQD-RWMBFGLXSA-N 1 0 225.332 1.809 50 0 BDAARO OC1(c2cccc(Br)c2)C[NH2+]C1 ZINC000222215292 343501462 /nfs/dbraw/zinc/50/14/62/343501462.db2.gz SUWQFRXKQNRNHH-UHFFFAOYSA-N 1 0 228.089 1.240 50 0 BDAARO CC(=O)NCc1ccc(-n2cnc(C)c2)cc1 ZINC000064542587 187273779 /nfs/dbraw/zinc/27/37/79/187273779.db2.gz ZTMBXXKJIADSKH-UHFFFAOYSA-N 1 0 229.283 1.817 50 0 BDAARO C/C=C/CC(=O)NCC[C@@H]1C[N@H+](CC)CCO1 ZINC000067921043 187274633 /nfs/dbraw/zinc/27/46/33/187274633.db2.gz CSPKIUHWHKFKRA-OGOUPESXSA-N 1 0 240.347 1.180 50 0 BDAARO CC(C)(O)CCc1ccc(CN2CC(O)C2)cc1 ZINC000072407524 187276147 /nfs/dbraw/zinc/27/61/47/187276147.db2.gz OWVUCKWZUPMRAI-UHFFFAOYSA-N 1 0 249.354 1.567 50 0 BDAARO Nc1c[nH+]c2cc(Br)ccn12 ZINC000082695067 187282584 /nfs/dbraw/zinc/28/25/84/187282584.db2.gz JSUNLBBDEJGVIZ-UHFFFAOYSA-N 1 0 212.050 1.679 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1cncs1 ZINC000097059000 187290192 /nfs/dbraw/zinc/29/01/92/187290192.db2.gz VINOAIUGGGKELU-LBPRGKRZSA-N 1 0 239.388 1.915 50 0 BDAARO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000247686532 344382062 /nfs/dbraw/zinc/38/20/62/344382062.db2.gz VBTIMLISJQLTOI-GHMZBOCLSA-N 1 0 233.377 1.542 50 0 BDAARO O=C1CS[C@H]2N1CCC[NH2+]C21CCCCC1 ZINC000000102281 344484000 /nfs/dbraw/zinc/48/40/00/344484000.db2.gz ABQNNGKKDURJLS-LLVKDONJSA-N 1 0 240.372 1.584 50 0 biogenic BDAARO CCC1([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000084192307 168484756 /nfs/dbraw/zinc/48/47/56/168484756.db2.gz JPYCVKPRVHXSNZ-UHFFFAOYSA-N 1 0 200.282 1.345 50 0 BDAARO S=C1N[C@H]2CCCC[C@H]2N1C[NH+]1CCCC1 ZINC000033688267 344902428 /nfs/dbraw/zinc/90/24/28/344902428.db2.gz JFHUKDUHJMPSOQ-WDEREUQCSA-N 1 0 239.388 1.541 50 0 BDAARO Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000409421027 344968830 /nfs/dbraw/zinc/96/88/30/344968830.db2.gz ZEPSWMYUTKJEPC-GFCCVEGCSA-N 1 0 247.342 1.758 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000248114162 345045162 /nfs/dbraw/zinc/04/51/62/345045162.db2.gz ICQWVDOCPJTOEV-VXGBXAGGSA-N 1 0 248.330 1.109 50 0 BDAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H](O)CO ZINC000002291919 187302081 /nfs/dbraw/zinc/30/20/81/187302081.db2.gz UDCNTWBKSIGAJC-QWHCGFSZSA-N 1 0 229.364 1.702 50 0 BDAARO CCN1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000335604827 345418383 /nfs/dbraw/zinc/41/83/83/345418383.db2.gz RQXPYRSGVJYBJZ-UHFFFAOYSA-N 1 0 218.291 1.858 50 0 BDAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCC1 ZINC000095450522 345686306 /nfs/dbraw/zinc/68/63/06/345686306.db2.gz DKXJKSBFYKMCMG-NSHDSACASA-N 1 0 238.375 1.975 50 0 BDAARO Cc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cnn1C ZINC000215025078 187318939 /nfs/dbraw/zinc/31/89/39/187318939.db2.gz RJJWRYWZCYGATG-CQSZACIVSA-N 1 0 248.374 1.399 50 0 BDAARO Cc1cccc(C(=O)NC[C@H](C)[NH+]2CCCC2)n1 ZINC000042509771 179018129 /nfs/dbraw/zinc/01/81/29/179018129.db2.gz FCCLDFQTBQUQON-LBPRGKRZSA-N 1 0 247.342 1.604 50 0 BDAARO Cc1cccc(CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000006732058 179053247 /nfs/dbraw/zinc/05/32/47/179053247.db2.gz OFYIXIRAHGVAGQ-UHFFFAOYSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH+](C)Cc1coc2ccccc2c1=O ZINC000000124378 346401356 /nfs/dbraw/zinc/40/13/56/346401356.db2.gz KTAZHOMCZXBTJI-UHFFFAOYSA-N 1 0 203.241 1.855 50 0 BDAARO Cc1cccc(C[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC000071773293 179105668 /nfs/dbraw/zinc/10/56/68/179105668.db2.gz GHQCBRBCOGNXTF-LBPRGKRZSA-N 1 0 222.332 1.682 50 0 BDAARO O=C1CC/[N+](=C\c2ccc(Cl)cc2)N1 ZINC000005252520 346613453 /nfs/dbraw/zinc/61/34/53/346613453.db2.gz BQQZODRIJDCCPY-NTUHNPAUSA-O 1 0 209.656 1.206 50 0 BDAARO Cc1cccc(OCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000032751345 179166258 /nfs/dbraw/zinc/16/62/58/179166258.db2.gz SHUTUWYJUGFSTB-CYBMUJFWSA-N 1 0 248.326 1.324 50 0 BDAARO Cc1cccc([C@@H]2CCCN2C(=O)[C@H](C)[NH3+])n1 ZINC000157547687 179189735 /nfs/dbraw/zinc/18/97/35/179189735.db2.gz FKUGJVBUFUXKJF-JQWIXIFHSA-N 1 0 233.315 1.401 50 0 BDAARO Cc1cccc2c(CN3CC[NH2+]CC3)c[nH]c21 ZINC000071487533 179210113 /nfs/dbraw/zinc/21/01/13/179210113.db2.gz IRSMGGRLTNIYLK-UHFFFAOYSA-N 1 0 229.327 1.882 50 0 BDAARO Cc1ccccc1-n1nnnc1SCCC[NH3+] ZINC000002617506 179243424 /nfs/dbraw/zinc/24/34/24/179243424.db2.gz BOJDFCRYFWLTTQ-UHFFFAOYSA-N 1 0 249.343 1.412 50 0 BDAARO Cc1ccccc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028239 179246979 /nfs/dbraw/zinc/24/69/79/179246979.db2.gz IDSVVYHDAKKHTM-NSHDSACASA-N 1 0 218.300 1.558 50 0 BDAARO Cc1ccccc1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000071412531 179252846 /nfs/dbraw/zinc/25/28/46/179252846.db2.gz RERKKDQOIMEIFU-YPMHNXCESA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1CCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000051967415 179260861 /nfs/dbraw/zinc/26/08/61/179260861.db2.gz YDDAHMVKEGZMFV-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1ccccc1C[N@H+](C[C@@H](C)O)C[C@H](C)O ZINC000000757379 179271172 /nfs/dbraw/zinc/27/11/72/179271172.db2.gz QNGJVVICQYFMCY-BETUJISGSA-N 1 0 237.343 1.559 50 0 BDAARO CCc1ccc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)o1 ZINC000195573582 347647801 /nfs/dbraw/zinc/64/78/01/347647801.db2.gz WMQLFXDEATWYGN-NSHDSACASA-N 1 0 238.331 1.832 50 0 BDAARO C[N@H+](CCn1cccn1)Cc1ccc(O)cc1 ZINC000195575866 347648723 /nfs/dbraw/zinc/64/87/23/347648723.db2.gz QZUXIIFJVWQGKK-UHFFFAOYSA-N 1 0 231.299 1.721 50 0 BDAARO Cc1ccccc1C[N@H+](C)CCC(N)=O ZINC000016374693 179268491 /nfs/dbraw/zinc/26/84/91/179268491.db2.gz OHWRNBPCFWYNSI-UHFFFAOYSA-N 1 0 206.289 1.302 50 0 BDAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(N)=O ZINC000007680794 179269908 /nfs/dbraw/zinc/26/99/08/179269908.db2.gz PKYFCFSMLQNUBO-JTQLQIEISA-N 1 0 206.289 1.301 50 0 BDAARO Cc1ccccc1CNCC[NH2+]C[C@@H](C)O ZINC000019370644 179280791 /nfs/dbraw/zinc/28/07/91/179280791.db2.gz RLUFZJLXNCTARB-GFCCVEGCSA-N 1 0 222.332 1.055 50 0 BDAARO Cc1ccccc1CNC(=O)C1CC[NH2+]CC1 ZINC000020284229 179278178 /nfs/dbraw/zinc/27/81/78/179278178.db2.gz RIDJWUOBDNUAEU-UHFFFAOYSA-N 1 0 232.327 1.611 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000036827045 347873094 /nfs/dbraw/zinc/87/30/94/347873094.db2.gz YGQOSTJHICZNQM-DCAQKATOSA-N 1 0 210.321 1.515 50 0 BDAARO Cc1ccccc1OCC[NH2+]C[C@H](C)O ZINC000002881293 179310574 /nfs/dbraw/zinc/31/05/74/179310574.db2.gz ZOQATLGXJJMNSI-NSHDSACASA-N 1 0 209.289 1.344 50 0 BDAARO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000237637320 179331844 /nfs/dbraw/zinc/33/18/44/179331844.db2.gz UDSLUGDATQIYHR-UONOGXRCSA-N 1 0 244.338 1.530 50 0 BDAARO Cc1ccsc1[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000090849890 179551937 /nfs/dbraw/zinc/55/19/37/179551937.db2.gz GYRJLSVWJCHMOY-ZYHUDNBSSA-N 1 0 241.356 1.859 50 0 BDAARO Cc1cnc(C)c(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)n1 ZINC000091690034 179579476 /nfs/dbraw/zinc/57/94/76/179579476.db2.gz FSORRIFUMZORGS-NEPJUHHUSA-N 1 0 232.331 1.267 50 0 BDAARO CSCCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421702323 192373991 /nfs/dbraw/zinc/37/39/91/192373991.db2.gz JUXIYMPFJVOVFF-SNVBAGLBSA-N 1 0 230.377 1.292 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000069464388 179742636 /nfs/dbraw/zinc/74/26/36/179742636.db2.gz VXCHKZTYOUJLSL-CHWSQXEVSA-N 1 0 237.347 1.739 50 0 BDAARO CC(C)(CO)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000061997369 191000920 /nfs/dbraw/zinc/00/09/20/191000920.db2.gz YFZYUTRLOMRWGU-LLVKDONJSA-N 1 0 243.734 1.734 50 0 BDAARO CCCNC(=O)NCC1([NH3+])CCC(F)(F)CC1 ZINC000725255273 538050733 /nfs/dbraw/zinc/05/07/33/538050733.db2.gz YERAMFVQGYVOQH-UHFFFAOYSA-N 1 0 249.305 1.602 50 0 BDAARO C[C@@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725256146 538055519 /nfs/dbraw/zinc/05/55/19/538055519.db2.gz VDEHQPCRVXXZQR-GXFFZTMASA-N 1 0 240.347 1.995 50 0 BDAARO Cc1cccc[n+]1Cc1cnc(C)nc1N ZINC000000230267 180163141 /nfs/dbraw/zinc/16/31/41/180163141.db2.gz UKALEFDQJPYCBH-UHFFFAOYSA-N 1 0 215.280 1.011 50 0 BDAARO CC(C)[C@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000106424694 191068480 /nfs/dbraw/zinc/06/84/80/191068480.db2.gz FSUSGZALVGSPOD-LLVKDONJSA-N 1 0 221.304 1.606 50 0 BDAARO C[NH+]1CCC(CNC(=O)c2ccsc2)CC1 ZINC000038572838 350318303 /nfs/dbraw/zinc/31/83/03/350318303.db2.gz VVOVYJZRSHEILG-UHFFFAOYSA-N 1 0 238.356 1.820 50 0 BDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C[NH3+] ZINC000074942742 180348593 /nfs/dbraw/zinc/34/85/93/180348593.db2.gz ULNUKJVDCAEMRH-KOLCDFICSA-N 1 0 209.293 1.073 50 0 BDAARO Cc1ccccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000001575363 350408526 /nfs/dbraw/zinc/40/85/26/350408526.db2.gz PSWMWCDHWLNZGJ-ZDUSSCGKSA-N 1 0 235.327 1.831 50 0 BDAARO Cc1nn(C)c(C)c1C[N@H+](C)[C@H]1CCSC1 ZINC000096485537 180338996 /nfs/dbraw/zinc/33/89/96/180338996.db2.gz XVJYYKITWGGLEN-NSHDSACASA-N 1 0 239.388 1.974 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]CC1CCOCC1 ZINC000070161068 180340737 /nfs/dbraw/zinc/34/07/37/180340737.db2.gz XZXYXOCEWORPRN-UHFFFAOYSA-N 1 0 237.347 1.553 50 0 BDAARO Cc1occc1C(=O)NC1CC[NH2+]CC1 ZINC000022172164 180537296 /nfs/dbraw/zinc/53/72/96/180537296.db2.gz MJBWSHYQUGAPIA-UHFFFAOYSA-N 1 0 208.261 1.070 50 0 BDAARO Cc1cc(C(=O)N2CCC([NH+](C)C)CC2)on1 ZINC000044934963 352505302 /nfs/dbraw/zinc/50/53/02/352505302.db2.gz BMPOCQWYWUZPRM-UHFFFAOYSA-N 1 0 237.303 1.149 50 0 BDAARO Cc1c[nH]c(CN(C)C(=O)c2c(C)noc2C)n1 ZINC000215575850 188008240 /nfs/dbraw/zinc/00/82/40/188008240.db2.gz KBNWEMMHQUVYBW-UHFFFAOYSA-N 1 0 248.286 1.595 50 0 BDAARO CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000061939918 188013154 /nfs/dbraw/zinc/01/31/54/188013154.db2.gz HPFMHZZFDAXFJX-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO CC(C)[C@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000097034839 188017153 /nfs/dbraw/zinc/01/71/53/188017153.db2.gz SPACTEBCQZOKDD-JTQLQIEISA-N 1 0 222.336 1.677 50 0 BDAARO CC(=O)NCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000193121644 188004510 /nfs/dbraw/zinc/00/45/10/188004510.db2.gz IINRZBZLMMKGAA-CMPLNLGQSA-N 1 0 226.364 1.927 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CCC([NH3+])CC2)c1 ZINC000052980471 188046970 /nfs/dbraw/zinc/04/69/70/188046970.db2.gz DXSIKBWCKLOPEO-UHFFFAOYSA-N 1 0 236.290 1.697 50 0 BDAARO COC1(C[NH2+]Cc2cn(C)nn2)CCCCC1 ZINC000319560180 188050427 /nfs/dbraw/zinc/05/04/27/188050427.db2.gz DVVZFCUIPPQQCA-UHFFFAOYSA-N 1 0 238.335 1.254 50 0 BDAARO CC(C)(C)[C@H]([NH2+]C[C@H]1CC=CCC1)C(N)=O ZINC000195573577 188051327 /nfs/dbraw/zinc/05/13/27/188051327.db2.gz WPRRWLBDEZOFOW-WDEREUQCSA-N 1 0 224.348 1.832 50 0 BDAARO CN(CCC[N@H+](C)CCCO)c1ccccc1 ZINC000574984851 353491759 /nfs/dbraw/zinc/49/17/59/353491759.db2.gz CUIIFWWWOCNLKK-UHFFFAOYSA-N 1 0 236.359 1.827 50 0 BDAARO CC(C)=CC(=O)NCC[NH+]1CCCCC1 ZINC000046856013 353852483 /nfs/dbraw/zinc/85/24/83/353852483.db2.gz VPHHDWRDLVBAPU-UHFFFAOYSA-N 1 0 210.321 1.555 50 0 BDAARO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)CN1C ZINC000252477605 363343182 /nfs/dbraw/zinc/34/31/82/363343182.db2.gz RGLPTCLUYOGMCQ-KWCYVHTRSA-N 1 0 237.391 1.153 50 0 BDAARO CCN1CCCC[C@H]1C[NH2+]Cc1cnc(C)nc1 ZINC000344340147 354236432 /nfs/dbraw/zinc/23/64/32/354236432.db2.gz KZBJJFCSMVTZMT-AWEZNQCLSA-N 1 0 248.374 1.749 50 0 BDAARO NC(=[NH2+])NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000021984689 181190372 /nfs/dbraw/zinc/19/03/72/181190372.db2.gz XEIKARCLHXMPCP-UHFFFAOYSA-N 1 0 237.694 1.242 50 0 BDAARO NC(=[NH2+])SCc1ccc(-n2cccn2)cc1 ZINC000030009022 181192907 /nfs/dbraw/zinc/19/29/07/181192907.db2.gz CBHIBEBUWMXWSB-UHFFFAOYSA-N 1 0 232.312 1.999 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)NCC2CCCCC2)C1 ZINC000335109180 355951144 /nfs/dbraw/zinc/95/11/44/355951144.db2.gz LJYFERHIQYBCBS-NSHDSACASA-N 1 0 225.336 1.309 50 0 BDAARO NC(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010089907 181223812 /nfs/dbraw/zinc/22/38/12/181223812.db2.gz WQKPBXIGMYGMLG-LBPRGKRZSA-N 1 0 218.300 1.699 50 0 BDAARO NC(=O)C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000097047206 181237305 /nfs/dbraw/zinc/23/73/05/181237305.db2.gz XSMXXDCFDPVDAT-ZDUSSCGKSA-N 1 0 232.327 1.993 50 0 BDAARO Cc1ncc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000351590055 356024551 /nfs/dbraw/zinc/02/45/51/356024551.db2.gz PYOBFISVCRIDJV-CYBMUJFWSA-N 1 0 248.374 1.559 50 0 BDAARO NC(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072344223 181275864 /nfs/dbraw/zinc/27/58/64/181275864.db2.gz HEPWOJPPUYLGHO-AWEZNQCLSA-N 1 0 247.342 1.259 50 0 BDAARO NC(=O)[C@@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072343787 181276318 /nfs/dbraw/zinc/27/63/18/181276318.db2.gz CAMMWAXREIWRSP-CYBMUJFWSA-N 1 0 233.315 1.012 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccncc1 ZINC000035272127 356466822 /nfs/dbraw/zinc/46/68/22/356466822.db2.gz BKPOOQNKYXLDFV-LLVKDONJSA-N 1 0 216.288 1.456 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](C(N)=[NH2+])C1 ZINC000083298254 538466049 /nfs/dbraw/zinc/46/60/49/538466049.db2.gz GNZWSPLUXPUAPB-SSDOTTSWSA-N 1 0 213.281 1.179 50 0 BDAARO Cc1cscc1C(=O)N1[C@H](C)C[NH2+]C[C@@H]1C ZINC000086816321 538559838 /nfs/dbraw/zinc/55/98/38/538559838.db2.gz FNZGUQHOFQBEHQ-AOOOYVTPSA-N 1 0 238.356 1.879 50 0 BDAARO CCC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000075011401 356789097 /nfs/dbraw/zinc/78/90/97/356789097.db2.gz DUPZQMUZIZHAHJ-SNVBAGLBSA-N 1 0 219.350 1.153 50 0 BDAARO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000168584329 357032769 /nfs/dbraw/zinc/03/27/69/357032769.db2.gz ZOMNYTOUFQZSDZ-CABZTGNLSA-N 1 0 211.305 1.718 50 0 BDAARO Cc1cc(C)cc(N2CC[C@@H]([NH3+])C2=O)c1 ZINC000049647884 357334677 /nfs/dbraw/zinc/33/46/77/357334677.db2.gz NNEFLPDNEYBWNW-LLVKDONJSA-N 1 0 204.273 1.367 50 0 BDAARO Nc1cc2n(n1)CCC[N@H+](Cc1ccccc1)C2 ZINC000685939329 538886608 /nfs/dbraw/zinc/88/66/08/538886608.db2.gz VLMMATOFNNHYJY-UHFFFAOYSA-N 1 0 242.326 1.871 50 0 BDAARO Cc1occc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029092825 358445621 /nfs/dbraw/zinc/44/56/21/358445621.db2.gz PPMXYURLXXVLJS-UHFFFAOYSA-N 1 0 248.326 1.945 50 0 BDAARO CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCOC1 ZINC000049021367 358667137 /nfs/dbraw/zinc/66/71/37/358667137.db2.gz PKEBKGSOGNRIQT-SNVBAGLBSA-N 1 0 237.347 1.833 50 0 BDAARO C[C@@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000071857184 359081618 /nfs/dbraw/zinc/08/16/18/359081618.db2.gz UESMMMJEPNKSFB-PWSUYJOCSA-N 1 0 239.363 1.521 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC000016602225 359638937 /nfs/dbraw/zinc/63/89/37/359638937.db2.gz FZTVLTHNMZBYGY-UHFFFAOYSA-N 1 0 233.315 1.296 50 0 BDAARO CC(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC000040630168 359695540 /nfs/dbraw/zinc/69/55/40/359695540.db2.gz XVIMZAOAAWMVLF-UHFFFAOYSA-N 1 0 212.337 1.491 50 0 BDAARO CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000095996647 360341194 /nfs/dbraw/zinc/34/11/94/360341194.db2.gz NLCZEVAHIVQFJY-SNVBAGLBSA-N 1 0 227.352 1.378 50 0 BDAARO C[NH+](C)[C@H](CNC(=O)NC1CC1)c1ccccc1 ZINC000036075843 360562267 /nfs/dbraw/zinc/56/22/67/360562267.db2.gz XTVDMZHMWDCXTE-CYBMUJFWSA-N 1 0 247.342 1.751 50 0 BDAARO Cc1c[nH]nc1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000216109571 219874929 /nfs/dbraw/zinc/87/49/29/219874929.db2.gz LXSVBBOYTHGOIZ-GFCCVEGCSA-N 1 0 249.358 1.934 50 0 BDAARO CCCOc1ccc(CN2CC[C@@H]([NH3+])C2)cn1 ZINC000065267583 361366589 /nfs/dbraw/zinc/36/65/89/361366589.db2.gz DEQYVHJZBOPFAN-GFCCVEGCSA-N 1 0 235.331 1.403 50 0 BDAARO [NH3+]C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000004312870 181344039 /nfs/dbraw/zinc/34/40/39/181344039.db2.gz MPONFFBWRHIMGB-UHFFFAOYSA-N 1 0 222.263 1.389 50 0 BDAARO [NH3+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002559481 181344066 /nfs/dbraw/zinc/34/40/66/181344066.db2.gz YYIQGSYCCNQAGV-UHFFFAOYSA-N 1 0 234.299 1.746 50 0 BDAARO [NH3+]C1CCN(c2nc3ncccc3o2)CC1 ZINC000022637928 181345214 /nfs/dbraw/zinc/34/52/14/181345214.db2.gz OKOSZVYZLQWXIB-UHFFFAOYSA-N 1 0 218.260 1.150 50 0 BDAARO [NH3+]CC(=O)NC1(c2ccccc2)CCC1 ZINC000083889252 181350174 /nfs/dbraw/zinc/35/01/74/181350174.db2.gz NFWJLHQGYPHNHW-UHFFFAOYSA-N 1 0 204.273 1.141 50 0 BDAARO [NH3+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000001843758 181355893 /nfs/dbraw/zinc/35/58/93/181355893.db2.gz HHUFLAVESWRHIP-UHFFFAOYSA-N 1 0 219.071 1.891 50 0 BDAARO [NH3+]CCC(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000225465795 181367687 /nfs/dbraw/zinc/36/76/87/181367687.db2.gz CRNRXLHFAUTWSU-VIFPVBQESA-N 1 0 238.253 1.573 50 0 BDAARO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC2)[C@@H](C)C1 ZINC000245498764 541397272 /nfs/dbraw/zinc/39/72/72/541397272.db2.gz WWCIIVSDMPWKPD-JQWIXIFHSA-N 1 0 239.363 1.521 50 0 BDAARO C1CC1N1CC[C@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000250877484 541441343 /nfs/dbraw/zinc/44/13/43/541441343.db2.gz UMGSGAJJBJCECI-QEJZJMRPSA-N 1 0 249.402 1.440 50 0 BDAARO [NH3+]CCCNC(=O)c1ccc2ccccc2c1O ZINC000003668077 181382558 /nfs/dbraw/zinc/38/25/58/181382558.db2.gz GRXONAANRSVZOJ-UHFFFAOYSA-N 1 0 244.294 1.624 50 0 BDAARO [NH3+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000004851655 181384166 /nfs/dbraw/zinc/38/41/66/181384166.db2.gz IVDLNVVMUHDZMU-UHFFFAOYSA-N 1 0 219.210 1.861 50 0 BDAARO [NH3+]CCN1CCO[C@H](c2ccccc2)C1 ZINC000019729991 181391481 /nfs/dbraw/zinc/39/14/81/181391481.db2.gz JUHWGRNPJSAOJV-LBPRGKRZSA-N 1 0 206.289 1.019 50 0 BDAARO Cc1ccc2c(c1)N[C@H](CNC(N)=[NH2+])CC2 ZINC000002439466 370841281 /nfs/dbraw/zinc/84/12/81/370841281.db2.gz BRSYGSLMHVKRGL-JTQLQIEISA-N 1 0 218.304 1.205 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000237961182 181429176 /nfs/dbraw/zinc/42/91/76/181429176.db2.gz PHRMZIMBDVBNJD-YBJDMEARSA-N 1 0 248.301 1.789 50 0 BDAARO O=C1O[C@@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000167163196 368396565 /nfs/dbraw/zinc/39/65/65/368396565.db2.gz HKJOWCCIQUHNTQ-CYBMUJFWSA-N 1 0 246.310 1.932 50 0 BDAARO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1O ZINC000114482420 368387372 /nfs/dbraw/zinc/38/73/72/368387372.db2.gz QRGQXVUZVXXWAG-DGCLKSJQSA-N 1 0 205.301 1.889 50 0 BDAARO O=c1[nH]c2ccccc2n1CC[NH+]1CCCC1 ZINC000139587875 368390640 /nfs/dbraw/zinc/39/06/40/368390640.db2.gz WIKQURVUAAIWAA-UHFFFAOYSA-N 1 0 231.299 1.425 50 0 BDAARO C[C@H]1C[C@H]([NH2+]CC[S@@](C)=O)C[C@@H](C)C1 ZINC000253369979 368938482 /nfs/dbraw/zinc/93/84/82/368938482.db2.gz KQUZTVRCEOWKGT-YAMSLAJTSA-N 1 0 217.378 1.779 50 0 BDAARO C(Cc1nc(C2CC2)no1)[NH2+][C@@H]1CCCOC1 ZINC000584896148 369044039 /nfs/dbraw/zinc/04/40/39/369044039.db2.gz AOPBPMKHZZYEIU-SNVBAGLBSA-N 1 0 237.303 1.258 50 0 BDAARO [NH3+][C@H](CN1CCCC1)c1ccc(F)cc1 ZINC000019821260 371192078 /nfs/dbraw/zinc/19/20/78/371192078.db2.gz YQZODDBPSPWKIQ-GFCCVEGCSA-N 1 0 208.280 1.921 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000242087937 181593276 /nfs/dbraw/zinc/59/32/76/181593276.db2.gz WALAXMSPGJGGGP-SDDRHHMPSA-N 1 0 222.332 1.372 50 0 BDAARO [NH3+][C@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000000167391 181660912 /nfs/dbraw/zinc/66/09/12/181660912.db2.gz DPVMRKPAOPNUIX-QMTHXVAHSA-N 1 0 229.279 1.841 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000132487343 371836974 /nfs/dbraw/zinc/83/69/74/371836974.db2.gz HCENAOXIJPVTMZ-SECBINFHSA-N 1 0 238.356 1.589 50 0 BDAARO O=C1C=CC[C@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000004074060 372130250 /nfs/dbraw/zinc/13/02/50/372130250.db2.gz AAGFPTSOPGCENQ-UKTARXLSSA-N 1 0 246.354 1.648 50 0 biogenic BDAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000243446684 372614147 /nfs/dbraw/zinc/61/41/47/372614147.db2.gz NEZMQXBGNRZNFF-CHWSQXEVSA-N 1 0 238.375 1.977 50 0 BDAARO O=C(Cc1ccccc1)NCC[NH+]1CCCCC1 ZINC000006529339 182044400 /nfs/dbraw/zinc/04/44/00/182044400.db2.gz XIAWWNGOBRCJSH-UHFFFAOYSA-N 1 0 246.354 1.831 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccn1 ZINC000040480791 373304825 /nfs/dbraw/zinc/30/48/25/373304825.db2.gz CBGUUUPBKCCPMD-LLVKDONJSA-N 1 0 233.315 1.296 50 0 BDAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058209396 182097768 /nfs/dbraw/zinc/09/77/68/182097768.db2.gz CMFIUVYRZPAITL-AWEZNQCLSA-N 1 0 244.338 1.930 50 0 BDAARO O=C(NCCC[NH+]1CCCC1)c1cccs1 ZINC000013613074 182167785 /nfs/dbraw/zinc/16/77/85/182167785.db2.gz IMDUWYMJKOEZNE-UHFFFAOYSA-N 1 0 238.356 1.964 50 0 BDAARO O=C(NCC[NH2+]C1CCCC1)c1ccco1 ZINC000004498175 182188748 /nfs/dbraw/zinc/18/87/48/182188748.db2.gz NFXPBYFDAZFGLE-UHFFFAOYSA-N 1 0 222.288 1.542 50 0 BDAARO O=C(NCc1ccc(Cl)cn1)[C@H]1CCC[NH2+]1 ZINC000225485600 182250532 /nfs/dbraw/zinc/25/05/32/182250532.db2.gz RTQXSCYCQKERMS-SNVBAGLBSA-N 1 0 239.706 1.103 50 0 BDAARO O=C(NCc1cccs1)C1CC[NH2+]CC1 ZINC000011955402 182263026 /nfs/dbraw/zinc/26/30/26/182263026.db2.gz TWKQNGCHWLNHGL-UHFFFAOYSA-N 1 0 224.329 1.364 50 0 BDAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000032819623 182335248 /nfs/dbraw/zinc/33/52/48/182335248.db2.gz GLKDAWQTEFAUTM-AWEZNQCLSA-N 1 0 244.338 1.787 50 0 BDAARO O=C(Nc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000011754429 182379458 /nfs/dbraw/zinc/37/94/58/182379458.db2.gz LMFVQBICDCOFRD-JTQLQIEISA-N 1 0 208.236 1.516 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]21 ZINC000095630808 182605366 /nfs/dbraw/zinc/60/53/66/182605366.db2.gz NNPUGWBVOYEPHV-VXGBXAGGSA-N 1 0 232.283 1.227 50 0 BDAARO O=C([C@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000019411925 182635400 /nfs/dbraw/zinc/63/54/00/182635400.db2.gz OZXISUIVUAGBAT-ZDUSSCGKSA-N 1 0 244.338 1.571 50 0 BDAARO O=c1c2ccccc2ncn1C1CC[NH2+]CC1 ZINC000021155149 182989546 /nfs/dbraw/zinc/98/95/46/182989546.db2.gz RCSWKIOCGLYWMS-UHFFFAOYSA-N 1 0 229.283 1.321 50 0 BDAARO OC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000033468525 183029649 /nfs/dbraw/zinc/02/96/49/183029649.db2.gz VLJBYJKYXAYIKR-UHFFFAOYSA-N 1 0 239.290 1.661 50 0 BDAARO OCCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 ZINC000095419176 183058829 /nfs/dbraw/zinc/05/88/29/183058829.db2.gz POWLULTVDWDDHB-GFCCVEGCSA-N 1 0 249.310 1.417 50 0 BDAARO OCC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000096490886 183097641 /nfs/dbraw/zinc/09/76/41/183097641.db2.gz YVTGDKISTBFCBJ-JSGCOSHPSA-N 1 0 235.327 1.736 50 0 BDAARO OCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095419459 183078738 /nfs/dbraw/zinc/07/87/38/183078738.db2.gz JCSAEKCMOQQYNG-GFCCVEGCSA-N 1 0 223.341 1.599 50 0 BDAARO OC[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccon1 ZINC000097101699 183115402 /nfs/dbraw/zinc/11/54/02/183115402.db2.gz YYTXOHFZKQRKHI-CMPLNLGQSA-N 1 0 224.304 1.705 50 0 BDAARO OCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004202966 183098266 /nfs/dbraw/zinc/09/82/66/183098266.db2.gz KVOKJZAQCLKPGS-CYBMUJFWSA-N 1 0 205.301 1.891 50 0 BDAARO OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000042684538 183128374 /nfs/dbraw/zinc/12/83/74/183128374.db2.gz ILNWBWLNHRKSFQ-ZDUSSCGKSA-N 1 0 221.300 1.270 50 0 BDAARO O=c1cc([C@@H]2CC[NH2+]C2)nc(-c2ccncc2)[nH]1 ZINC000072343640 183261350 /nfs/dbraw/zinc/26/13/50/183261350.db2.gz JPAJCSLQFRUMNK-SNVBAGLBSA-N 1 0 242.282 1.321 50 0 BDAARO Oc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000019963852 183291513 /nfs/dbraw/zinc/29/15/13/183291513.db2.gz VLBYNOOZNKFCDJ-LBPRGKRZSA-N 1 0 207.273 1.661 50 0 BDAARO c1c[nH]c(C[NH2+]C[C@H]2CCCn3ccnc32)n1 ZINC000089884759 183325231 /nfs/dbraw/zinc/32/52/31/183325231.db2.gz ICQFVLKTYBAQCK-SNVBAGLBSA-N 1 0 231.303 1.273 50 0 BDAARO CCC[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000047794779 169195837 /nfs/dbraw/zinc/19/58/37/169195837.db2.gz FZILSRIEAMSMCU-SNVBAGLBSA-N 1 0 214.309 1.607 50 0 BDAARO c1nc2c([nH]1)[C@@H](c1cccc3nonc31)[NH2+]CC2 ZINC000065462110 183364219 /nfs/dbraw/zinc/36/42/19/183364219.db2.gz QLAOJVLFGMQKSZ-LLVKDONJSA-N 1 0 241.254 1.181 50 0 BDAARO c1cc2c(cc1CC1CC[NH2+]CC1)OCCO2 ZINC000011630923 183366414 /nfs/dbraw/zinc/36/64/14/183366414.db2.gz AWSBVPQKWFUZCA-UHFFFAOYSA-N 1 0 233.311 2.000 50 0 BDAARO c1cc2c(cc1C[NH2+]CC1CC1)OCCO2 ZINC000020086216 183367574 /nfs/dbraw/zinc/36/75/74/183367574.db2.gz NDKZRBFOOBPTHO-UHFFFAOYSA-N 1 0 219.284 1.957 50 0 BDAARO c1ccc(-c2noc([C@@H]3CC[NH2+]C3)n2)nc1 ZINC000062119516 183385590 /nfs/dbraw/zinc/38/55/90/183385590.db2.gz IPQPWFMHDZQARY-MRVPVSSYSA-N 1 0 216.244 1.209 50 0 BDAARO c1c(N2CCC[NH2+]CC2)n[nH]c1-c1ccccc1 ZINC000070459991 183379595 /nfs/dbraw/zinc/37/95/95/183379595.db2.gz GDIDEBUYCWXBKI-UHFFFAOYSA-N 1 0 242.326 1.876 50 0 BDAARO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229225508 169245646 /nfs/dbraw/zinc/24/56/46/169245646.db2.gz LTDFOLRWEVUWFZ-MNOVXSKESA-N 1 0 212.337 1.633 50 0 BDAARO CCCSCCN[C@@H]1CCC[NH2+]C1 ZINC000067725783 169339648 /nfs/dbraw/zinc/33/96/48/169339648.db2.gz GLKZIKPDZSREDR-SNVBAGLBSA-N 1 0 202.367 1.471 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C(C[NH3+])[C@@H]2C1 ZINC000072193746 166657447 /nfs/dbraw/zinc/65/74/47/166657447.db2.gz BZUMXXCFQUZQAV-CBLAIPOGSA-N 1 0 212.293 1.058 50 0 BDAARO Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000000177590 383842237 /nfs/dbraw/zinc/84/22/37/383842237.db2.gz CHVBUZXSWTYODQ-ZDUSSCGKSA-N 1 0 235.327 1.831 50 0 BDAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000035735852 383872873 /nfs/dbraw/zinc/87/28/73/383872873.db2.gz WANKLARNWVNQJV-YPMHNXCESA-N 1 0 248.326 1.782 50 0 BDAARO CC[C@H]([NH3+])[C@H](O)c1c(F)cccc1F ZINC000036779166 383910732 /nfs/dbraw/zinc/91/07/32/383910732.db2.gz IKAZPXWEBASSEL-WPRPVWTQSA-N 1 0 201.216 1.736 50 0 BDAARO CC[C@H]([NH3+])[C@@H](O)c1c(F)cccc1F ZINC000036779170 383910757 /nfs/dbraw/zinc/91/07/57/383910757.db2.gz IKAZPXWEBASSEL-WCBMZHEXSA-N 1 0 201.216 1.736 50 0 BDAARO FC(F)(F)c1c[nH]c([C@@H]2CCC[NH2+]C2)n1 ZINC000036876345 383916695 /nfs/dbraw/zinc/91/66/95/383916695.db2.gz AQRVZTOQDFOBGJ-ZCFIWIBFSA-N 1 0 219.210 1.896 50 0 BDAARO [NH3+]CCc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000036876310 383916748 /nfs/dbraw/zinc/91/67/48/383916748.db2.gz RKWWNMLSTGPVEO-UHFFFAOYSA-N 1 0 205.236 1.717 50 0 BDAARO CN(CCc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545923 383918106 /nfs/dbraw/zinc/91/81/06/383918106.db2.gz LOKZOPRYOQTDRM-ZIAGYGMSSA-N 1 0 246.354 1.815 50 0 BDAARO C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000036904503 383920525 /nfs/dbraw/zinc/92/05/25/383920525.db2.gz XYFAEHZVQWTOPH-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO CSCCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000158408643 383921856 /nfs/dbraw/zinc/92/18/56/383921856.db2.gz WGDKAKVWPOYGSF-UWVGGRQHSA-N 1 0 230.377 1.373 50 0 BDAARO C[C@@H]([NH2+]CC1CC1)c1nnc2ccccn21 ZINC000036969169 383923896 /nfs/dbraw/zinc/92/38/96/383923896.db2.gz PMSAJNMGOOWWMY-SECBINFHSA-N 1 0 216.288 1.790 50 0 BDAARO C[NH+](C)CCCNC(=O)Cc1cccs1 ZINC000002734864 383988054 /nfs/dbraw/zinc/98/80/54/383988054.db2.gz IUQQWCMBKSSNTI-UHFFFAOYSA-N 1 0 226.345 1.359 50 0 BDAARO C[NH+](C)CCNc1c(N)c(=O)oc2ccccc21 ZINC000000272731 383998809 /nfs/dbraw/zinc/99/88/09/383998809.db2.gz BINRZWSFDMCURV-UHFFFAOYSA-N 1 0 247.298 1.349 50 0 biogenic BDAARO COC(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000002391724 383961965 /nfs/dbraw/zinc/96/19/65/383961965.db2.gz BOXQVEQTPQDDIT-UHFFFAOYSA-N 1 0 219.284 1.940 50 0 BDAARO C[NH+](C)CCCNCc1ccc(F)cc1 ZINC000002518423 383968473 /nfs/dbraw/zinc/96/84/73/383968473.db2.gz ZWWMYTHOWTVQTQ-UHFFFAOYSA-N 1 0 210.296 1.867 50 0 BDAARO Cc1cc(C[NH2+][C@H]2CC[C@H](F)C2)n(C)n1 ZINC000334931239 383976734 /nfs/dbraw/zinc/97/67/34/383976734.db2.gz QHCTVMHJMZXSED-UWVGGRQHSA-N 1 0 211.284 1.709 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CCCOC1 ZINC000309573767 384029977 /nfs/dbraw/zinc/02/99/77/384029977.db2.gz OICZKMBJCFDHAR-YNEHKIRRSA-N 1 0 226.364 1.485 50 0 BDAARO C[C@@H]1C[C@H](OC[C@H](O)C[NH3+])CC(C)(C)C1 ZINC000003865967 384030678 /nfs/dbraw/zinc/03/06/78/384030678.db2.gz KXHDTRSUOYXLSW-MXWKQRLJSA-N 1 0 215.337 1.537 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000135096034 384036650 /nfs/dbraw/zinc/03/66/50/384036650.db2.gz DCZNMGLJXQIYNR-AXFHLTTASA-N 1 0 244.404 1.571 50 0 BDAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccn1C ZINC000050595819 384101043 /nfs/dbraw/zinc/10/10/43/384101043.db2.gz PQLRFRVKXVBUIQ-NSHDSACASA-N 1 0 218.304 1.400 50 0 BDAARO O=c1c2cccc(F)c2[nH]c2c1C[NH2+]CC2 ZINC000070451506 384108464 /nfs/dbraw/zinc/10/84/64/384108464.db2.gz FKEZWDPXWZMVIQ-UHFFFAOYSA-N 1 0 218.231 1.313 50 0 BDAARO CCc1cccc(OCCCC[NH2+]CCN)c1 ZINC000039507321 384116793 /nfs/dbraw/zinc/11/67/93/384116793.db2.gz KGUJPFVZTUZVJU-UHFFFAOYSA-N 1 0 236.359 1.956 50 0 BDAARO C[NH+](C)CCCn1cnc2ccccc2c1=O ZINC000005610591 384120485 /nfs/dbraw/zinc/12/04/85/384120485.db2.gz UWELDGAVVGIHCS-UHFFFAOYSA-N 1 0 231.299 1.348 50 0 BDAARO Cc1cnc([C@@H](C)N2CC[NH2+]CC2)s1 ZINC000070996253 384145831 /nfs/dbraw/zinc/14/58/31/384145831.db2.gz TVEVWFQZSAVYHP-SECBINFHSA-N 1 0 211.334 1.418 50 0 BDAARO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)s1 ZINC000090849288 384162196 /nfs/dbraw/zinc/16/21/96/384162196.db2.gz FOGIEAXULJVSPO-CMPLNLGQSA-N 1 0 241.356 1.859 50 0 BDAARO CC1(C)COC[C@@H](Cc2ccccc2)[NH2+]1 ZINC000071413808 384166139 /nfs/dbraw/zinc/16/61/39/384166139.db2.gz IWOIUZXLUMQKPW-GFCCVEGCSA-N 1 0 205.301 1.996 50 0 BDAARO Cc1ccc(S(=O)(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000006845788 384168450 /nfs/dbraw/zinc/16/84/50/384168450.db2.gz JGOXOHKKEMNLBX-NSHDSACASA-N 1 0 225.313 1.131 50 0 BDAARO CO[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000107318913 384178755 /nfs/dbraw/zinc/17/87/55/384178755.db2.gz OXFSHDDBIXOQGC-RYUDHWBXSA-N 1 0 242.363 1.258 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]C1Cc2ccccc2C1 ZINC000097378257 384183969 /nfs/dbraw/zinc/18/39/69/384183969.db2.gz YYOQFDRGDLDFAB-UHFFFAOYSA-N 1 0 247.338 1.943 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH2+]2)C1 ZINC000072194289 384200634 /nfs/dbraw/zinc/20/06/34/384200634.db2.gz VOOWCGDOUHRBEJ-GFCCVEGCSA-N 1 0 226.320 1.749 50 0 BDAARO c1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000042684200 384236866 /nfs/dbraw/zinc/23/68/66/384236866.db2.gz LODPYENASSOOBD-STQMWFEESA-N 1 0 202.301 1.480 50 0 BDAARO c1ccc2c(c1)CCN([C@H]1CC[NH2+]C1)C2 ZINC000042783318 384245569 /nfs/dbraw/zinc/24/55/69/384245569.db2.gz AAWMJVYGGSJHJZ-ZDUSSCGKSA-N 1 0 202.301 1.407 50 0 BDAARO C[C@@H]1SCCN(C(=O)CCC[NH3+])[C@H]1C ZINC000157708659 384265673 /nfs/dbraw/zinc/26/56/73/384265673.db2.gz SRARLJLXORQYSQ-IUCAKERBSA-N 1 0 216.350 1.078 50 0 BDAARO C[C@H](CC(=O)N1CC[NH2+][C@H](C)C1)c1ccncc1 ZINC000408519306 384275723 /nfs/dbraw/zinc/27/57/23/384275723.db2.gz QOEVNNZJMZTDGN-VXGBXAGGSA-N 1 0 247.342 1.396 50 0 BDAARO c1nc2ccccc2n1C[C@H]1CCC[NH2+]1 ZINC000043495996 384279307 /nfs/dbraw/zinc/27/93/07/384279307.db2.gz YYMMLBJLAJXWNW-SNVBAGLBSA-N 1 0 201.273 1.788 50 0 BDAARO CCc1ccc(NC(=O)CC[NH2+]C)cc1 ZINC000043599872 384286508 /nfs/dbraw/zinc/28/65/08/384286508.db2.gz GVRSZHULEWPTLB-UHFFFAOYSA-N 1 0 206.289 1.797 50 0 BDAARO CCOCC[N@H+](C)Cc1ccc2nonc2c1 ZINC000408523064 384288094 /nfs/dbraw/zinc/28/80/94/384288094.db2.gz GFSZMHRNFYPMOQ-UHFFFAOYSA-N 1 0 235.287 1.691 50 0 BDAARO CSCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000023282213 384300618 /nfs/dbraw/zinc/30/06/18/384300618.db2.gz ROVISEVTHMLOQI-AOOOYVTPSA-N 1 0 203.351 1.849 50 0 BDAARO Cc1cc(C)n(CCC[NH2+]Cc2cc[nH]n2)n1 ZINC000134282605 384345865 /nfs/dbraw/zinc/34/58/65/384345865.db2.gz FVSOFZGOHBSUGL-UHFFFAOYSA-N 1 0 233.319 1.403 50 0 BDAARO C[NH+](C)CCCn1c2ccc(N)cc2nc1CO ZINC000044965589 384367115 /nfs/dbraw/zinc/36/71/15/384367115.db2.gz AYZVBZAFCLIAMK-UHFFFAOYSA-N 1 0 248.330 1.063 50 0 BDAARO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cccs1 ZINC000134818075 384425960 /nfs/dbraw/zinc/42/59/60/384425960.db2.gz MBCJRXHKEAZTAM-MRVPVSSYSA-N 1 0 226.345 1.910 50 0 BDAARO COCCc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632289 384398773 /nfs/dbraw/zinc/39/87/73/384398773.db2.gz DDWDKHMNQHMXBN-CYBMUJFWSA-N 1 0 221.300 1.616 50 0 BDAARO c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000097159074 384384543 /nfs/dbraw/zinc/38/45/43/384384543.db2.gz ANAZDIGVXWZBJE-GHMZBOCLSA-N 1 0 218.304 1.515 50 0 BDAARO CCC1(NC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000095644258 384388534 /nfs/dbraw/zinc/38/85/34/384388534.db2.gz SLINLQRBGQBQHK-UHFFFAOYSA-N 1 0 200.282 1.263 50 0 BDAARO O=C1OC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000016082749 384450654 /nfs/dbraw/zinc/45/06/54/384450654.db2.gz BZOLMBUOVVXGMF-NEPJUHHUSA-N 1 0 217.268 1.291 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000237918495 384430353 /nfs/dbraw/zinc/43/03/53/384430353.db2.gz MNCQTIITVDGPOL-JHJVBQTASA-N 1 0 248.301 1.489 50 0 BDAARO COC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000079047982 384483645 /nfs/dbraw/zinc/48/36/45/384483645.db2.gz NOZPVSPICUEDBC-GFCCVEGCSA-N 1 0 205.257 1.091 50 0 BDAARO [NH3+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000019408297 384518620 /nfs/dbraw/zinc/51/86/20/384518620.db2.gz MYLVUXDYUPRIRT-UHFFFAOYSA-N 1 0 206.220 1.982 50 0 BDAARO c1csc(C[NH2+]C[C@H]2CNc3ccnn3C2)n1 ZINC000058341608 384526074 /nfs/dbraw/zinc/52/60/74/384526074.db2.gz PAKDNMKPIIMFND-VIFPVBQESA-N 1 0 249.343 1.171 50 0 BDAARO CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000019606566 384529695 /nfs/dbraw/zinc/52/96/95/384529695.db2.gz CIGIVGXIVPFUAV-UHFFFAOYSA-N 1 0 210.296 1.819 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648541 384554003 /nfs/dbraw/zinc/55/40/03/384554003.db2.gz VDSDJJOPJXUSMV-MRVPVSSYSA-N 1 0 210.664 1.404 50 0 BDAARO Cc1n[nH]cc1CCC[NH2+]Cc1cnn(C)c1 ZINC000050182627 384606314 /nfs/dbraw/zinc/60/63/14/384606314.db2.gz WUXABMKXWPXCQT-UHFFFAOYSA-N 1 0 233.319 1.174 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000020216702 384600847 /nfs/dbraw/zinc/60/08/47/384600847.db2.gz WRLVESWELOBVJS-QMMMGPOBSA-N 1 0 221.178 1.577 50 0 BDAARO [NH3+]Cc1cccc(OCC(F)(F)F)n1 ZINC000051523357 384670454 /nfs/dbraw/zinc/67/04/54/384670454.db2.gz FEKKEZOYDREICU-UHFFFAOYSA-N 1 0 206.167 1.481 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@]1(C)C[NH3+] ZINC000082370853 384674439 /nfs/dbraw/zinc/67/44/39/384674439.db2.gz KTQQDWACAUDUJC-NSHDSACASA-N 1 0 214.309 1.735 50 0 BDAARO CC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000057288551 384637578 /nfs/dbraw/zinc/63/75/78/384637578.db2.gz VHOAXMZIZRZMGO-LBPRGKRZSA-N 1 0 224.279 1.565 50 0 BDAARO CO[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000172980697 384641327 /nfs/dbraw/zinc/64/13/27/384641327.db2.gz WBCXWLNYFBCWHZ-LBPRGKRZSA-N 1 0 206.289 1.692 50 0 BDAARO CC(C)c1noc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000051640215 384677869 /nfs/dbraw/zinc/67/78/69/384677869.db2.gz FYYGURSDYVIEFG-VIFPVBQESA-N 1 0 224.308 1.159 50 0 BDAARO c1ccc(CN2C[C@@H]3CC[NH2+]C[C@H]32)cc1 ZINC000101730054 384687201 /nfs/dbraw/zinc/68/72/01/384687201.db2.gz BLCVYHKAZCBAKF-QWHCGFSZSA-N 1 0 202.301 1.480 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)s1 ZINC000016604434 384702462 /nfs/dbraw/zinc/70/24/62/384702462.db2.gz UCGHNJZBKPXKFN-UHFFFAOYSA-N 1 0 238.356 1.881 50 0 BDAARO CCSCC[NH+]1CCN(C(C)C)CC1 ZINC000078031246 384709835 /nfs/dbraw/zinc/70/98/35/384709835.db2.gz FRLCCRNANIMMEW-UHFFFAOYSA-N 1 0 216.394 1.766 50 0 BDAARO CO[C@]1(C)C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1(C)C ZINC000358154295 384714010 /nfs/dbraw/zinc/71/40/10/384714010.db2.gz NPUCIVQCQQHTLE-OPQQBVKSSA-N 1 0 240.347 1.010 50 0 BDAARO c1ccc(COCCN2CC[NH2+]CC2)cc1 ZINC000021986921 384716232 /nfs/dbraw/zinc/71/62/32/384716232.db2.gz GMPKQJAYGPIGIX-UHFFFAOYSA-N 1 0 220.316 1.108 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000178553063 384750644 /nfs/dbraw/zinc/75/06/44/384750644.db2.gz PUVLIIJWVBZIIN-GXFZAYBSSA-N 1 0 249.289 1.041 50 0 BDAARO Cc1cccc(NC(=O)c2ccc(NN)[nH+]c2)c1 ZINC000051093395 384767566 /nfs/dbraw/zinc/76/75/66/384767566.db2.gz FNASHGJDMYZZGB-UHFFFAOYSA-N 1 0 242.282 1.928 50 0 BDAARO [NH3+][C@H]1CC[C@H](C(=O)NCCC(F)(F)F)C1 ZINC000085013024 384770244 /nfs/dbraw/zinc/77/02/44/384770244.db2.gz RFDHMAXBMSMKPG-BQBZGAKWSA-N 1 0 224.226 1.182 50 0 BDAARO COC(=O)[C@H](N)c1cccc(C(F)(F)F)c1 ZINC000037459786 384826722 /nfs/dbraw/zinc/82/67/22/384826722.db2.gz PEUVKNUVXKCHHA-MRVPVSSYSA-N 1 0 233.189 1.878 50 0 biogenic BDAARO C[C@H]([NH3+])c1cccc(N2CCNC2=O)c1 ZINC000083684240 384789893 /nfs/dbraw/zinc/78/98/93/384789893.db2.gz PMCPAVYDLLPCEE-QMMMGPOBSA-N 1 0 205.261 1.236 50 0 BDAARO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC000055250725 384877907 /nfs/dbraw/zinc/87/79/07/384877907.db2.gz YPLDWQVOEIZDSM-GFCCVEGCSA-N 1 0 247.342 1.638 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccccc1Br ZINC000026476802 384877904 /nfs/dbraw/zinc/87/79/04/384877904.db2.gz GGAABHXLEIHHSB-QMMMGPOBSA-N 1 0 244.132 1.559 50 0 BDAARO [NH3+]Cc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000054744867 384848940 /nfs/dbraw/zinc/84/89/40/384848940.db2.gz FWWVHUWUFDEIPY-UHFFFAOYSA-N 1 0 243.192 1.140 50 0 BDAARO O=C1C[C@H]2C[C@H](O)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000084310086 384858363 /nfs/dbraw/zinc/85/83/63/384858363.db2.gz MFGHIESVTDVOSV-YUTCNCBUSA-N 1 0 231.295 1.353 50 0 BDAARO CC(C)(C)OC(=O)N1CC(C2CC[NH2+]CC2)C1 ZINC000084303639 384859496 /nfs/dbraw/zinc/85/94/96/384859496.db2.gz NVJNOFWSEGNPKX-UHFFFAOYSA-N 1 0 240.347 1.853 50 0 BDAARO C[C@@H]([NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000057217550 384931816 /nfs/dbraw/zinc/93/18/16/384931816.db2.gz IIPWVKDPLQHHNR-SECBINFHSA-N 1 0 204.273 1.833 50 0 BDAARO C[NH+](C)CCCNC(=O)NC1CCCCC1 ZINC000002269789 384931869 /nfs/dbraw/zinc/93/18/69/384931869.db2.gz MRDUYPDZAXSPHB-UHFFFAOYSA-N 1 0 227.352 1.570 50 0 BDAARO CC(C)c1noc(-c2ccc(NN)[nH+]c2)n1 ZINC000057352082 384938839 /nfs/dbraw/zinc/93/88/39/384938839.db2.gz DPBHTYMERCRHSS-UHFFFAOYSA-N 1 0 219.248 1.541 50 0 BDAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)ccn1 ZINC000086014433 384980280 /nfs/dbraw/zinc/98/02/80/384980280.db2.gz NRDVZOMLLMJECP-UHFFFAOYSA-N 1 0 231.221 1.510 50 0 BDAARO O=c1cc2c(nn1CN1CCCCC1)CCC2 ZINC000058402832 385002211 /nfs/dbraw/zinc/00/22/11/385002211.db2.gz PPORPCVFCXEHHL-UHFFFAOYSA-N 1 0 233.315 1.175 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@H](F)C1 ZINC000072319627 385189543 /nfs/dbraw/zinc/18/95/43/385189543.db2.gz ACHGEWOGBWGEEL-SFYZADRCSA-N 1 0 218.272 1.211 50 0 BDAARO O=C(c1cn[nH]c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062983810 385199680 /nfs/dbraw/zinc/19/96/80/385199680.db2.gz HERSRKRDWICDFW-GFCCVEGCSA-N 1 0 248.330 1.110 50 0 BDAARO C[C@H](CC[NH3+])N(C)C(=O)OC(C)(C)C ZINC000062152124 385162228 /nfs/dbraw/zinc/16/22/28/385162228.db2.gz XFKPVODVJHKDHG-MRVPVSSYSA-N 1 0 202.298 1.591 50 0 BDAARO CN(Cc1ccccc1)C(=O)n1cc[n+](C)c1 ZINC000032628716 385174938 /nfs/dbraw/zinc/17/49/38/385174938.db2.gz HHSRFVNUEVPAOZ-UHFFFAOYSA-N 1 0 230.291 1.413 50 0 BDAARO c1cncc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c1 ZINC000063084487 385209092 /nfs/dbraw/zinc/20/90/92/385209092.db2.gz FSAVHWONONJMNU-SNVBAGLBSA-N 1 0 244.298 1.674 50 0 BDAARO C[C@H]([NH2+]C(C)(C)C(=O)N(C)C)c1ccccn1 ZINC000096494819 385234984 /nfs/dbraw/zinc/23/49/84/385234984.db2.gz DQPZQAACSOEEQG-JTQLQIEISA-N 1 0 235.331 1.599 50 0 BDAARO COC[C@@H](C)[NH2+]CCNc1cccnc1 ZINC000065380318 385302876 /nfs/dbraw/zinc/30/28/76/385302876.db2.gz KUUTUFJZXAHFEA-SNVBAGLBSA-N 1 0 209.293 1.118 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC000065406650 385306851 /nfs/dbraw/zinc/30/68/51/385306851.db2.gz ZXXDZSVRCVQGKT-LLVKDONJSA-N 1 0 246.314 1.392 50 0 BDAARO CC(C)c1ncncc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000269151704 385273432 /nfs/dbraw/zinc/27/34/32/385273432.db2.gz RMAVBPLGFBBJFP-JTQLQIEISA-N 1 0 248.330 1.034 50 0 BDAARO Cc1nnc(SCC[NH+](C)C)s1 ZINC000005669903 385354286 /nfs/dbraw/zinc/35/42/86/385354286.db2.gz LHVIECCVAGIQNA-UHFFFAOYSA-N 1 0 203.336 1.500 50 0 BDAARO [NH3+][C@H](CC1CCCCC1)[C@H]1COCCO1 ZINC000161496341 385975626 /nfs/dbraw/zinc/97/56/26/385975626.db2.gz WRUSSQDCGCXMEA-VXGBXAGGSA-N 1 0 213.321 1.700 50 0 BDAARO CCC[C@H](C)C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000032590342 385981972 /nfs/dbraw/zinc/98/19/72/385981972.db2.gz LRHRDGXGBPGTCY-NWDGAFQWSA-N 1 0 247.404 1.932 50 0 BDAARO Cc1c[nH+]ccc1NCCNc1ncncn1 ZINC000222331479 386040374 /nfs/dbraw/zinc/04/03/74/386040374.db2.gz YEGLEGKBDSHVOS-UHFFFAOYSA-N 1 0 230.275 1.099 50 0 BDAARO C[C@H](Cc1ccncc1)NC(=O)C[NH+]1CCCC1 ZINC000222317448 386042198 /nfs/dbraw/zinc/04/21/98/386042198.db2.gz WBJQWJJJDDWTTM-GFCCVEGCSA-N 1 0 247.342 1.225 50 0 BDAARO COC(=O)c1ccc(-c2nc(C[NH3+])c(C)o2)cc1 ZINC000039320291 386149002 /nfs/dbraw/zinc/14/90/02/386149002.db2.gz XOQINGIZWOMZEA-UHFFFAOYSA-N 1 0 246.266 1.895 50 0 BDAARO CC(C)(C)CC[NH2+]C[C@@]1(O)CCSC1 ZINC000188091165 386178120 /nfs/dbraw/zinc/17/81/20/386178120.db2.gz VGCYLRADHVUZGY-NSHDSACASA-N 1 0 217.378 1.880 50 0 BDAARO CC(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000030600032 386218533 /nfs/dbraw/zinc/21/85/33/386218533.db2.gz AJARLQOQQRCMNP-UHFFFAOYSA-N 1 0 202.217 1.226 50 0 BDAARO C[NH+](C)C1(CNC(=O)CCc2ccncc2)CC1 ZINC000416298118 386264726 /nfs/dbraw/zinc/26/47/26/386264726.db2.gz BWSMERZVEUEBGD-UHFFFAOYSA-N 1 0 247.342 1.225 50 0 BDAARO Cc1cc(F)cc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000135241539 386497178 /nfs/dbraw/zinc/49/71/78/386497178.db2.gz NPBZVZFIYMCMGN-GFCCVEGCSA-N 1 0 236.290 1.697 50 0 BDAARO Fc1cccc(C[N@@H+]2CC[C@@H](n3ccnn3)C2)c1 ZINC000585116270 386673930 /nfs/dbraw/zinc/67/39/30/386673930.db2.gz OFRMFLZZBHBTRQ-CYBMUJFWSA-N 1 0 246.289 1.864 50 0 BDAARO C[C@@H]1C[C@@H]1c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573262 386821189 /nfs/dbraw/zinc/82/11/89/386821189.db2.gz LBBHKSIASQLRNT-SCZZXKLOSA-N 1 0 221.304 1.735 50 0 BDAARO Cc1cc(CN(CC(N)=O)C(C)C)cs1 ZINC000294618454 386893011 /nfs/dbraw/zinc/89/30/11/386893011.db2.gz XYBXGZJYQFNARP-UHFFFAOYSA-N 1 0 226.345 1.752 50 0 BDAARO CCN(C)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000087645615 386944987 /nfs/dbraw/zinc/94/49/87/386944987.db2.gz ZOVRAVIXLZRVLR-CMPLNLGQSA-N 1 0 220.316 1.801 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@]2(C)C1 ZINC000536949784 387160736 /nfs/dbraw/zinc/16/07/36/387160736.db2.gz ZWRPWJNRJXPIGA-BXKDBHETSA-N 1 0 226.320 1.463 50 0 BDAARO Cc1c(C[NH2+]C2Cc3ccccc3C2)cnn1C ZINC000090887738 387205389 /nfs/dbraw/zinc/20/53/89/387205389.db2.gz GFHPQKSOOQEVHM-UHFFFAOYSA-N 1 0 241.338 1.986 50 0 BDAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@@H](C)C1CCC1 ZINC000192639247 387230440 /nfs/dbraw/zinc/23/04/40/387230440.db2.gz PHQUCYWFAKTPFT-BFVZDQMLSA-N 1 0 217.378 1.874 50 0 BDAARO CC(C)(C)OC(=O)NCC12CC([NH3+])(C1)C2 ZINC000230569673 387270448 /nfs/dbraw/zinc/27/04/48/387270448.db2.gz TXIPPSCTYAERAQ-UHFFFAOYSA-N 1 0 212.293 1.393 50 0 BDAARO CO[C@@]1(C)OCc2c1[n+](=O)c1ccccc1n2O ZINC000135938735 387305763 /nfs/dbraw/zinc/30/57/63/387305763.db2.gz MQXZQGUCLBQMHX-LBPRGKRZSA-N 1 0 249.246 1.142 50 0 BDAARO CC(C)(C)NC(=[NH2+])NCc1ccccn1 ZINC000052041362 387423177 /nfs/dbraw/zinc/42/31/77/387423177.db2.gz HHJJWSOFIQZMHR-UHFFFAOYSA-N 1 0 206.293 1.494 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CC12CC2 ZINC000426361641 387560403 /nfs/dbraw/zinc/56/04/03/387560403.db2.gz CWOONQFHDZEGOF-LLVKDONJSA-N 1 0 245.326 1.140 50 0 BDAARO [NH3+]CC[C@@H](O)c1ccc(Br)cc1 ZINC000019674795 387849182 /nfs/dbraw/zinc/84/91/82/387849182.db2.gz GSWDVKVULHKPED-SECBINFHSA-N 1 0 230.105 1.831 50 0 BDAARO CC(C)(C)OC(=O)NC12CCC([NH3+])(CC1)C2 ZINC000250594771 387856833 /nfs/dbraw/zinc/85/68/33/387856833.db2.gz PDJAMSVGNXBESR-UHFFFAOYSA-N 1 0 226.320 1.925 50 0 BDAARO C[C@H]([NH2+]C(CO)CO)c1ccc2c(c1)CCCC2 ZINC000065454266 387946092 /nfs/dbraw/zinc/94/60/92/387946092.db2.gz UHHMFEHNOVKPEX-NSHDSACASA-N 1 0 249.354 1.569 50 0 BDAARO CCC[C@@](C)([NH3+])c1nc(C[C@@H]2CCCO2)no1 ZINC000036865023 387963654 /nfs/dbraw/zinc/96/36/54/387963654.db2.gz FGBMNGOWFVLSLK-JOYOIKCWSA-N 1 0 239.319 1.765 50 0 BDAARO C[C@@]1(COc2ccccc2)[NH2+]CCc2nc[nH]c21 ZINC000065531415 388084542 /nfs/dbraw/zinc/08/45/42/388084542.db2.gz FIMZCXNXNVBYFD-AWEZNQCLSA-N 1 0 243.310 1.850 50 0 BDAARO CC(C)([NH3+])c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000071396866 388092186 /nfs/dbraw/zinc/09/21/86/388092186.db2.gz KPUXHQAMHBJXHA-UHFFFAOYSA-N 1 0 229.283 1.631 50 0 BDAARO Nc1cc(N)[nH+]c(S[C@@H]2C=CCCC2)n1 ZINC000065621838 388170498 /nfs/dbraw/zinc/17/04/98/388170498.db2.gz ZOOHSTMXAGKSCX-SSDOTTSWSA-N 1 0 222.317 1.842 50 0 BDAARO C[C@](O)(CCCO)C[NH2+]C1CCCC1 ZINC000065385160 388260717 /nfs/dbraw/zinc/26/07/17/388260717.db2.gz PIPFFVAMDVQKAA-NSHDSACASA-N 1 0 201.310 1.042 50 0 BDAARO Cc1c[nH+]ccc1NCC(=O)NC(C)C ZINC000070047074 388257636 /nfs/dbraw/zinc/25/76/36/388257636.db2.gz IIZWOOTUTJDIKP-UHFFFAOYSA-N 1 0 207.277 1.327 50 0 BDAARO Cn1ccnc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000065405144 388292160 /nfs/dbraw/zinc/29/21/60/388292160.db2.gz JYZBKHVPOGSLQZ-LLVKDONJSA-N 1 0 235.331 1.421 50 0 BDAARO CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000003314504 388373008 /nfs/dbraw/zinc/37/30/08/388373008.db2.gz CWDXTXNOEHVFCU-NWDGAFQWSA-N 1 0 209.289 1.081 50 0 BDAARO CN(Cc1ccccc1N1CCCC1)C(=O)C[NH3+] ZINC000237160611 388391215 /nfs/dbraw/zinc/39/12/15/388391215.db2.gz MGKMNOYXQFMMTL-UHFFFAOYSA-N 1 0 247.342 1.204 50 0 BDAARO CC[C@H](c1ccncc1)[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000252522911 388480465 /nfs/dbraw/zinc/48/04/65/388480465.db2.gz BJQFSVUXIWCEEF-NWDGAFQWSA-N 1 0 249.314 1.573 50 0 BDAARO Cc1nnc(CN2CCC[C@@H]2c2cnn(C)c2)o1 ZINC000071797299 388446630 /nfs/dbraw/zinc/44/66/30/388446630.db2.gz YVLYKVZCLZPUKV-LLVKDONJSA-N 1 0 247.302 1.449 50 0 BDAARO C[C@H]([C@H](C)[NH2+]CC(C)(C)O)n1cccn1 ZINC000069493309 388417812 /nfs/dbraw/zinc/41/78/12/388417812.db2.gz SFAXRQFPSLQWQQ-VHSXEESVSA-N 1 0 211.309 1.193 50 0 BDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069582384 388421573 /nfs/dbraw/zinc/42/15/73/388421573.db2.gz GVRTVVOAQCJPLR-VXGBXAGGSA-N 1 0 247.346 1.664 50 0 BDAARO CSCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069877479 388428435 /nfs/dbraw/zinc/42/84/35/388428435.db2.gz AXZMEPUJJQFTQK-MNOVXSKESA-N 1 0 242.388 1.435 50 0 BDAARO C[C@@H](C(=O)N1CCCC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000069925668 388430687 /nfs/dbraw/zinc/43/06/87/388430687.db2.gz GSPGUBOSBNAXOX-RYUDHWBXSA-N 1 0 240.347 1.108 50 0 BDAARO Cn1c(C[NH2+]C[C@H]2CCCO2)nc2ccccc21 ZINC000070163033 388432966 /nfs/dbraw/zinc/43/29/66/388432966.db2.gz QSWZCMRVVXRABJ-LLVKDONJSA-N 1 0 245.326 1.842 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+][C@H]1CCO[C@H]1C ZINC000253369708 388589437 /nfs/dbraw/zinc/58/94/37/388589437.db2.gz GZVGDQZSELVZSH-WOPDTQHZSA-N 1 0 223.320 1.429 50 0 BDAARO NNc1[nH+]cnc2cc(Br)ccc21 ZINC000253431127 388593215 /nfs/dbraw/zinc/59/32/15/388593215.db2.gz GKRZGUZCXKSONM-UHFFFAOYSA-N 1 0 239.076 1.678 50 0 BDAARO COC[C@H](O)C[N@H+](C)C1C[C@@H](C)C[C@H](C)C1 ZINC000106897886 388598773 /nfs/dbraw/zinc/59/87/73/388598773.db2.gz AEXZOQLIHGGEOU-GMXVVIOVSA-N 1 0 229.364 1.750 50 0 BDAARO CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037818383 388575477 /nfs/dbraw/zinc/57/54/77/388575477.db2.gz AMJSDPCEVZJIIQ-QWHCGFSZSA-N 1 0 248.326 1.324 50 0 BDAARO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCO1 ZINC000020208209 388757362 /nfs/dbraw/zinc/75/73/62/388757362.db2.gz USQUVBMWKWWGMU-GXSJLCMTSA-N 1 0 209.293 1.077 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]C[C@H](C)c1ccccc1 ZINC000078739037 388740304 /nfs/dbraw/zinc/74/03/04/388740304.db2.gz KLPTWIHQIKNYJX-WDEREUQCSA-N 1 0 220.316 1.644 50 0 BDAARO O=C1OC[C@H]2CN(Cc3ccccc3)CCN12 ZINC000096111340 388808282 /nfs/dbraw/zinc/80/82/82/388808282.db2.gz MWMYFZAGTWYFQW-GFCCVEGCSA-N 1 0 232.283 1.323 50 0 biogenic,in-vitro BDAARO CC[NH+](CC)CCCSc1nc[nH]n1 ZINC000194518873 388809455 /nfs/dbraw/zinc/80/94/55/388809455.db2.gz JKBQAPRBACWSHI-UHFFFAOYSA-N 1 0 214.338 1.629 50 0 BDAARO c1cnc(NCCC[NH2+][C@@H]2CCSC2)nc1 ZINC000095423648 388769963 /nfs/dbraw/zinc/76/99/63/388769963.db2.gz KSKLNRLSFSGRLE-SNVBAGLBSA-N 1 0 238.360 1.374 50 0 BDAARO CSCC[C@@H](CO)[NH2+][C@H]1CCCSC1 ZINC000097084640 388832582 /nfs/dbraw/zinc/83/25/82/388832582.db2.gz ZGOUXWWBODZQFY-UWVGGRQHSA-N 1 0 235.418 1.586 50 0 BDAARO C[C@H]1OCC[C@@H]1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000097107798 388833302 /nfs/dbraw/zinc/83/33/02/388833302.db2.gz RIHHDMHLIHMXEK-KOLCDFICSA-N 1 0 249.314 1.511 50 0 BDAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)o1 ZINC000225582883 388837470 /nfs/dbraw/zinc/83/74/70/388837470.db2.gz MOOXXHLODCNFJL-DRZSPHRISA-N 1 0 248.326 1.706 50 0 BDAARO COCC[NH+]1CCN(c2ccccc2)CC1 ZINC000053778372 132229892 /nfs/dbraw/zinc/22/98/92/132229892.db2.gz DUCPUDYGJKTDGF-UHFFFAOYSA-N 1 0 220.316 1.455 50 0 BDAARO [NH3+]Cc1cc(Cl)ccc1N1CCOCC1 ZINC000052856493 132362746 /nfs/dbraw/zinc/36/27/46/132362746.db2.gz LMPJCCDTRNQWPT-UHFFFAOYSA-N 1 0 226.707 1.635 50 0 BDAARO C[C@@H]1Cc2ccccc2N(C(=O)C2C[NH2+]C2)C1 ZINC000091407936 132238163 /nfs/dbraw/zinc/23/81/63/132238163.db2.gz XSMWLTWBEGXNRS-SNVBAGLBSA-N 1 0 230.311 1.431 50 0 BDAARO c1ccc(N2CC[NH+](C3CCOCC3)CC2)nc1 ZINC000245060668 132302868 /nfs/dbraw/zinc/30/28/68/132302868.db2.gz PURSNFNRJXPXCA-UHFFFAOYSA-N 1 0 247.342 1.383 50 0 BDAARO C[NH+]1CCN(c2ccc3nccnc3c2)CC1 ZINC000001406997 132314322 /nfs/dbraw/zinc/31/43/22/132314322.db2.gz NSSDPEMRBJPBTO-UHFFFAOYSA-N 1 0 228.299 1.382 50 0 BDAARO CC(C)[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000035367862 132338222 /nfs/dbraw/zinc/33/82/22/132338222.db2.gz JFMTYIZZCGHGNC-UHFFFAOYSA-N 1 0 220.320 1.194 50 0 BDAARO Cc1cccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000040175307 132347124 /nfs/dbraw/zinc/34/71/24/132347124.db2.gz ZQFCDVLJLMRUEH-UHFFFAOYSA-N 1 0 227.311 1.953 50 0 BDAARO CC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000065575317 132390476 /nfs/dbraw/zinc/39/04/76/132390476.db2.gz FBVWQXPEPQGWJN-UHFFFAOYSA-N 1 0 220.316 1.837 50 0 BDAARO OC[C@]1(F)CCC[N@@H+](C2CCCC2)C1 ZINC000335959247 134024101 /nfs/dbraw/zinc/02/41/01/134024101.db2.gz YMZVSMKKKVNGOV-NSHDSACASA-N 1 0 201.285 1.725 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000083902773 134420593 /nfs/dbraw/zinc/42/05/93/134420593.db2.gz YIAAMNHJAHUEKL-ZETCQYMHSA-N 1 0 208.236 1.062 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)N2CCOCC2)c1 ZINC000034959088 398017775 /nfs/dbraw/zinc/01/77/75/398017775.db2.gz GSRWSEBMNUOOKK-UHFFFAOYSA-N 1 0 235.287 1.009 50 0 BDAARO CCO[C@H]1C[C@H]([NH2+]Cc2ncnn2C)C1(C)C ZINC000181840689 398043262 /nfs/dbraw/zinc/04/32/62/398043262.db2.gz FWICURKQOKOFBM-UWVGGRQHSA-N 1 0 238.335 1.108 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC000054460252 398098837 /nfs/dbraw/zinc/09/88/37/398098837.db2.gz MEBCKGRPCCSOIN-LLVKDONJSA-N 1 0 238.356 1.962 50 0 BDAARO Brc1ccccc1OC1C[NH2+]C1 ZINC000038580772 166103237 /nfs/dbraw/zinc/10/32/37/166103237.db2.gz RJISAXOOUHPWFX-UHFFFAOYSA-N 1 0 228.089 1.800 50 0 BDAARO CCN(CC)C(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000086229878 169755906 /nfs/dbraw/zinc/75/59/06/169755906.db2.gz MAXSIEUAVJCGCR-JTQLQIEISA-N 1 0 214.309 1.607 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000095743479 166657579 /nfs/dbraw/zinc/65/75/79/166657579.db2.gz LLTJKZQPTQJCDC-VWYCJHECSA-N 1 0 240.347 1.981 50 0 BDAARO CC(C)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000005962685 167006918 /nfs/dbraw/zinc/00/69/18/167006918.db2.gz SBBNAFRSDCJWNS-ZDUSSCGKSA-N 1 0 207.317 1.836 50 0 BDAARO CC(C)NC(=O)NC(=O)C[NH+]1CCCCCC1 ZINC000007781694 167071844 /nfs/dbraw/zinc/07/18/44/167071844.db2.gz JHAFMALYWXXSHF-UHFFFAOYSA-N 1 0 241.335 1.097 50 0 BDAARO CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)CCC2 ZINC000004263192 167115120 /nfs/dbraw/zinc/11/51/20/167115120.db2.gz IDLITJLASHOGPE-AWEZNQCLSA-N 1 0 249.354 1.913 50 0 BDAARO CC(C)[NH2+][C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000240203822 167140584 /nfs/dbraw/zinc/14/05/84/167140584.db2.gz JTSZVAIXOFODKL-GVXVVHGQSA-N 1 0 220.316 1.892 50 0 BDAARO CC[NH+](CC)C[C@H](O)Cc1ccccc1 ZINC000004778088 169788691 /nfs/dbraw/zinc/78/86/91/169788691.db2.gz HNOTZJFCQWBXLJ-CYBMUJFWSA-N 1 0 207.317 1.932 50 0 BDAARO CCN(CC)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000004206270 169794245 /nfs/dbraw/zinc/79/42/45/169794245.db2.gz HRNXLBILTRMFNN-UHFFFAOYSA-N 1 0 242.344 1.176 50 0 BDAARO COC(=O)CC[N@H+](C)Cc1c(C)noc1C ZINC000048335091 411189261 /nfs/dbraw/zinc/18/92/61/411189261.db2.gz LMINLUGMMWPKHA-UHFFFAOYSA-N 1 0 226.276 1.286 50 0 BDAARO CCCOc1nccnc1N1CC[C@H]([NH2+]C)C1 ZINC000065269069 411340468 /nfs/dbraw/zinc/34/04/68/411340468.db2.gz WRXLRLPCJQCKID-JTQLQIEISA-N 1 0 236.319 1.064 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1nncn1C ZINC000133986678 168104196 /nfs/dbraw/zinc/10/41/96/168104196.db2.gz RNVYGBHACZKEJR-RYUDHWBXSA-N 1 0 234.347 1.897 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@]1(CO)CCOC1 ZINC000191114915 168104828 /nfs/dbraw/zinc/10/48/28/168104828.db2.gz OEKJLNAVXDTSLS-IHRRRGAJSA-N 1 0 239.359 1.720 50 0 BDAARO CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055368149 168174319 /nfs/dbraw/zinc/17/43/19/168174319.db2.gz UAODYYGGWKKBBG-ZDUSSCGKSA-N 1 0 232.327 1.945 50 0 BDAARO CCC(=O)NCc1ccc(N(C)C)nc1 ZINC000036393514 168232591 /nfs/dbraw/zinc/23/25/91/168232591.db2.gz SDDMIVANVSWSOT-UHFFFAOYSA-N 1 0 207.277 1.174 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CN1CCn2nc(C)cc2C1 ZINC000252481341 169970394 /nfs/dbraw/zinc/97/03/94/169970394.db2.gz CJJFPHFVEWCJBF-CYBMUJFWSA-N 1 0 248.374 1.491 50 0 BDAARO CCN1CCO[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000069972561 170004931 /nfs/dbraw/zinc/00/49/31/170004931.db2.gz JLYKGFMPFSJSHM-LBPRGKRZSA-N 1 0 240.372 1.558 50 0 BDAARO CC[N@@H+]1CC[C@H](N(C)c2ncccn2)[C@@H](C)C1 ZINC000195531020 170019249 /nfs/dbraw/zinc/01/92/49/170019249.db2.gz BGNHZYLVDSQUNJ-RYUDHWBXSA-N 1 0 234.347 1.643 50 0 BDAARO CC[N@@H+]1C[C@H](O)[C@@H](Oc2ccc3c(c2)CCC3)C1 ZINC000071773787 170040605 /nfs/dbraw/zinc/04/06/05/170040605.db2.gz CJMCTUQVOBRRCK-GJZGRUSLSA-N 1 0 247.338 1.619 50 0 BDAARO CCNC(=O)NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027133988 170076909 /nfs/dbraw/zinc/07/69/09/170076909.db2.gz GMHSVCYZKNHSFK-VIFPVBQESA-N 1 0 243.351 1.199 50 0 BDAARO CC[NH2+][C@@H](CC)C(=O)c1ccc2c(c1)OCO2 ZINC000071545418 170144198 /nfs/dbraw/zinc/14/41/98/170144198.db2.gz YERSNXHEOIYEGX-JTQLQIEISA-N 1 0 235.283 1.986 50 0 in-vitro BDAARO CCOC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000068593577 170197914 /nfs/dbraw/zinc/19/79/14/170197914.db2.gz HKZATLWKHSZUDF-UHFFFAOYSA-N 1 0 241.331 1.585 50 0 BDAARO CCOC(=O)CC[N@@H+]1CCSC[C@@H]1C ZINC000069761120 170205382 /nfs/dbraw/zinc/20/53/82/170205382.db2.gz ZZXATEJAHIDJMO-VIFPVBQESA-N 1 0 217.334 1.377 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccccc1OC ZINC000002582532 170231444 /nfs/dbraw/zinc/23/14/44/170231444.db2.gz MWDINARLTYYEHV-SNVBAGLBSA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000050975532 170263128 /nfs/dbraw/zinc/26/31/28/170263128.db2.gz AWCXGWTZRFCSEY-CQSZACIVSA-N 1 0 249.310 1.187 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000040477642 170279846 /nfs/dbraw/zinc/27/98/46/170279846.db2.gz DCZSQGGYROATBT-NSHDSACASA-N 1 0 213.321 1.918 50 0 BDAARO CCOC(=O)c1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000038580821 170299476 /nfs/dbraw/zinc/29/94/76/170299476.db2.gz KKVZBPQENUCORX-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(=O)c1ccccc1OC1C[NH2+]C1 ZINC000042769674 170299669 /nfs/dbraw/zinc/29/96/69/170299669.db2.gz HZZDHQROOJYGKH-UHFFFAOYSA-N 1 0 221.256 1.214 50 0 BDAARO CCOC(=O)c1csc([C@H]2CCC[NH2+]2)n1 ZINC000006403832 170305476 /nfs/dbraw/zinc/30/54/76/170305476.db2.gz UKHLURZCGAUBCQ-SSDOTTSWSA-N 1 0 226.301 1.744 50 0 BDAARO CCOC(C[NH+]1CCCCC1)OCC ZINC000000032338 170314277 /nfs/dbraw/zinc/31/42/77/170314277.db2.gz VSHHRRNJQBETGT-UHFFFAOYSA-N 1 0 201.310 1.871 50 0 BDAARO CCOCC[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000069818280 170413899 /nfs/dbraw/zinc/41/38/99/170413899.db2.gz ZHIRUFWBUAXMGO-QWRGUYRKSA-N 1 0 211.309 1.459 50 0 BDAARO CCOc1ccccc1C[NH2+][C@H]1CCC(=O)NC1 ZINC000078553538 170593170 /nfs/dbraw/zinc/59/31/70/170593170.db2.gz CKMOWWBXPKKHIY-LBPRGKRZSA-N 1 0 248.326 1.454 50 0 BDAARO CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC000095973163 170609765 /nfs/dbraw/zinc/60/97/65/170609765.db2.gz KGDAMXCBTSSGFW-LLVKDONJSA-N 1 0 247.404 1.980 50 0 BDAARO CC[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C(C)C ZINC000072171132 171092779 /nfs/dbraw/zinc/09/27/79/171092779.db2.gz DYYJQWGCBWRBFT-GFCCVEGCSA-N 1 0 236.363 1.714 50 0 BDAARO CC[C@@](C)([NH3+])c1nc(C(F)F)cc(=O)[nH]1 ZINC000068577444 171172909 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1.108 50 0 BDAARO COCCCCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000095941353 174183727 /nfs/dbraw/zinc/18/37/27/174183727.db2.gz YDTLSCPIBFAYMI-QWRGUYRKSA-N 1 0 203.326 1.410 50 0 BDAARO COCCCN(CC[NH3+])Cc1ccco1 ZINC000032919831 174221633 /nfs/dbraw/zinc/22/16/33/174221633.db2.gz GBADHHHYEMCWAF-UHFFFAOYSA-N 1 0 212.293 1.077 50 0 BDAARO COCCCNC(=O)C[NH+]1CCCCCCC1 ZINC000048617121 174238973 /nfs/dbraw/zinc/23/89/73/174238973.db2.gz MXUBEQASOYWBLN-UHFFFAOYSA-N 1 0 242.363 1.405 50 0 BDAARO COCCC[NH2+]Cc1cccc(OC)c1OC ZINC000013718029 174248494 /nfs/dbraw/zinc/24/84/94/174248494.db2.gz PZZPTTWNGVXSJR-UHFFFAOYSA-N 1 0 239.315 1.830 50 0 BDAARO COCCC[NH2+]Cc1ccccc1OC ZINC000002555544 174248745 /nfs/dbraw/zinc/24/87/45/174248745.db2.gz FGXNVMYJKDGSOL-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO COCC[NH+]1CCN(CC=C(C)C)CC1 ZINC000054187846 174310821 /nfs/dbraw/zinc/31/08/21/174310821.db2.gz BUUSYUHHUUJARK-UHFFFAOYSA-N 1 0 212.337 1.217 50 0 BDAARO COCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200614 174311695 /nfs/dbraw/zinc/31/16/95/174311695.db2.gz OYAIVJGOSSSHJC-LBPRGKRZSA-N 1 0 235.331 1.462 50 0 BDAARO COCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000015319276 174316498 /nfs/dbraw/zinc/31/64/98/174316498.db2.gz AHGSGJBYLULRAA-WOPDTQHZSA-N 1 0 213.321 1.258 50 0 BDAARO COCC[NH2+]CCOCCOc1ccccc1 ZINC000002980689 174333812 /nfs/dbraw/zinc/33/38/12/174333812.db2.gz RHYUSNAMUFYXIL-UHFFFAOYSA-N 1 0 239.315 1.318 50 0 BDAARO COCC[NH2+]CCOc1ccc(C)c(C)c1 ZINC000002932639 174333899 /nfs/dbraw/zinc/33/38/99/174333899.db2.gz MKJCWCWLRNAIRQ-UHFFFAOYSA-N 1 0 223.316 1.918 50 0 BDAARO COCC[NH2+]Cc1cc2ccccc2n1C ZINC000016941699 174335344 /nfs/dbraw/zinc/33/53/44/174335344.db2.gz AKBANWNVYDVGFP-UHFFFAOYSA-N 1 0 218.300 1.914 50 0 BDAARO COCC[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080328000 174336203 /nfs/dbraw/zinc/33/62/03/174336203.db2.gz GHCJDLDGERGVHA-UHFFFAOYSA-N 1 0 249.339 1.941 50 0 BDAARO COC[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000086857549 174499288 /nfs/dbraw/zinc/49/92/88/174499288.db2.gz RGILYLJOWYKZBC-UWVGGRQHSA-N 1 0 201.310 1.162 50 0 BDAARO COC[C@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000053172628 174547463 /nfs/dbraw/zinc/54/74/63/174547463.db2.gz WUPGOMGSIRFYKF-NWDGAFQWSA-N 1 0 231.336 1.197 50 0 BDAARO COc1cc(OC)cc(N2CC[C@@H](C[NH3+])C2)c1 ZINC000019504727 175010002 /nfs/dbraw/zinc/01/00/02/175010002.db2.gz VXTXMVRVBLMJBR-JTQLQIEISA-N 1 0 236.315 1.489 50 0 BDAARO COc1cc2c(cc1[C@H]1NCCS1)OCO2 ZINC000253408255 175026178 /nfs/dbraw/zinc/02/61/78/175026178.db2.gz XJWNKJQPBGHFRS-NSHDSACASA-N 1 0 239.296 1.759 50 0 BDAARO COc1ccc(-c2ccc(C[NH3+])cc2)nn1 ZINC000067909426 175032792 /nfs/dbraw/zinc/03/27/92/175032792.db2.gz ZMYHXFHYLIXSPH-UHFFFAOYSA-N 1 0 215.256 1.611 50 0 BDAARO COc1ccc(C(=O)OCC2CC[NH2+]CC2)cc1 ZINC000042768875 175065198 /nfs/dbraw/zinc/06/51/98/175065198.db2.gz JOMPYLCFHNFGCH-UHFFFAOYSA-N 1 0 249.310 1.852 50 0 BDAARO COc1ccc(C(=O)O[C@@H]2CC[NH2+]C2)cc1 ZINC000042768913 175065210 /nfs/dbraw/zinc/06/52/10/175065210.db2.gz AYIZNLJNEQYFNO-LLVKDONJSA-N 1 0 221.256 1.214 50 0 BDAARO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011630661 175065225 /nfs/dbraw/zinc/06/52/25/175065225.db2.gz BIGOTJPUOXLMKS-NSHDSACASA-N 1 0 205.257 1.630 50 0 BDAARO COc1ccc(C)cc1C[NH2+]CCCO ZINC000007736210 175076371 /nfs/dbraw/zinc/07/63/71/175076371.db2.gz LDVMJFVKKSOHGS-UHFFFAOYSA-N 1 0 209.289 1.476 50 0 BDAARO COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000000357590 175107451 /nfs/dbraw/zinc/10/74/51/175107451.db2.gz ZJXNNHXMTOVMHI-ZDUSSCGKSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccc(C[C@H]2CCC[N@@H+]2CC(N)=O)cc1 ZINC000048580537 175117719 /nfs/dbraw/zinc/11/77/19/175117719.db2.gz GHMKIEOZCJVWDP-GFCCVEGCSA-N 1 0 248.326 1.187 50 0 BDAARO COc1ccc([C@H](O)CC[NH+](C)C)cc1 ZINC000039395710 175193231 /nfs/dbraw/zinc/19/32/31/175193231.db2.gz UFWCBIPCLNOWPY-GFCCVEGCSA-N 1 0 209.289 1.680 50 0 BDAARO COc1ccc2[nH]c3c(c(=O)c2c1)C[NH2+]CC3 ZINC000070451504 175201939 /nfs/dbraw/zinc/20/19/39/175201939.db2.gz GSEVNBVDDFTRBU-UHFFFAOYSA-N 1 0 230.267 1.182 50 0 BDAARO COc1ccc2c(c1)OCC[C@@H](C[NH+](C)C)C2=O ZINC000062623562 175212366 /nfs/dbraw/zinc/21/23/66/175212366.db2.gz OJBNMYOXGBPZSA-JTQLQIEISA-N 1 0 249.310 1.838 50 0 BDAARO COc1cccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000229017263 175241085 /nfs/dbraw/zinc/24/10/85/175241085.db2.gz BGFNAWPZZSUNLM-BTDICHCPSA-N 1 0 246.310 1.268 50 0 BDAARO COc1cccc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019366985 175267156 /nfs/dbraw/zinc/26/71/56/175267156.db2.gz IZYPVIIGGPOBTH-OAHLLOKOSA-N 1 0 246.354 1.879 50 0 BDAARO COc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000097092540 175277291 /nfs/dbraw/zinc/27/72/91/175277291.db2.gz UUCJWBLAOLUTBJ-ZJUUUORDSA-N 1 0 234.299 1.761 50 0 BDAARO COc1ccccc1CC(=O)NCC[C@H](C)[NH3+] ZINC000063170318 175321619 /nfs/dbraw/zinc/32/16/19/175321619.db2.gz DSVPCHRHAGOBDY-JTQLQIEISA-N 1 0 236.315 1.091 50 0 BDAARO COc1ccccc1C[NH2+]C(C)(C)CO ZINC000000359836 175329428 /nfs/dbraw/zinc/32/94/28/175329428.db2.gz WPYZTCQHFCLDGJ-UHFFFAOYSA-N 1 0 209.289 1.556 50 0 BDAARO COc1ccccc1CO[C@@H]1CCC[NH2+]C1 ZINC000014631578 175332066 /nfs/dbraw/zinc/33/20/66/175332066.db2.gz SBSYXEBFPMSEJI-GFCCVEGCSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccccc1N1C[C@@H](C[NH3+])CC1=O ZINC000019669553 175336242 /nfs/dbraw/zinc/33/62/42/175336242.db2.gz BHGOHKXVSYJWFM-SECBINFHSA-N 1 0 220.272 1.007 50 0 BDAARO COc1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000034305675 175342022 /nfs/dbraw/zinc/34/20/22/175342022.db2.gz YHNDTIPVPOPHNA-JTQLQIEISA-N 1 0 207.273 1.684 50 0 BDAARO COc1ccccc1[C@H]1C[NH2+]CCN1C ZINC000020268286 175355541 /nfs/dbraw/zinc/35/55/41/175355541.db2.gz DYELDQSXNPYCMG-LLVKDONJSA-N 1 0 206.289 1.271 50 0 BDAARO COc1ccnc(C[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000096502102 175359487 /nfs/dbraw/zinc/35/94/87/175359487.db2.gz RVIHQQMOPXYKPH-GFCCVEGCSA-N 1 0 236.315 1.437 50 0 BDAARO C[C@@H](CO)SCCC[NH+]1CCCCC1 ZINC000170604480 175759619 /nfs/dbraw/zinc/75/96/19/175759619.db2.gz FCUYLBRVZWVLBU-NSHDSACASA-N 1 0 217.378 1.976 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000047843719 175814234 /nfs/dbraw/zinc/81/42/34/175814234.db2.gz SQEURGTUFUERHD-ZJUUUORDSA-N 1 0 228.336 1.981 50 0 BDAARO C[C@@H](c1ccccc1)[NH+]1CC(CO)(CO)C1 ZINC000075172898 176020954 /nfs/dbraw/zinc/02/09/54/176020954.db2.gz JELLGOQTZIVOHW-NSHDSACASA-N 1 0 221.300 1.034 50 0 BDAARO C[C@@H](c1ccco1)[N@H+](C)CCn1cncn1 ZINC000242324481 176032229 /nfs/dbraw/zinc/03/22/29/176032229.db2.gz ZBRNPNOUPRVNEQ-JTQLQIEISA-N 1 0 220.276 1.564 50 0 BDAARO C[C@@H]1CCCCN1C(=O)n1cc[n+](C)c1 ZINC000032628709 176069375 /nfs/dbraw/zinc/06/93/75/176069375.db2.gz XXOQFMMNDJQEGT-SNVBAGLBSA-N 1 0 208.285 1.155 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ncc[nH]1 ZINC000065422114 176070553 /nfs/dbraw/zinc/07/05/53/176070553.db2.gz WAFVKTTVUSCPFF-GFCCVEGCSA-N 1 0 236.363 1.716 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccn1 ZINC000046858797 176070920 /nfs/dbraw/zinc/07/09/20/176070920.db2.gz SEEABSCYBGLKEE-GFCCVEGCSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@H]([NH3+])C1 ZINC000132690296 176089280 /nfs/dbraw/zinc/08/92/80/176089280.db2.gz KYNCUGOBBODYQY-GRYCIOLGSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCCN(C(=O)C2CCCC2)[C@@H]1C[NH3+] ZINC000069726116 176091490 /nfs/dbraw/zinc/09/14/90/176091490.db2.gz OFDJKRXKBJGAKI-ZYHUDNBSSA-N 1 0 224.348 1.762 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccsc2)[C@H]1C[NH3+] ZINC000069726135 176095859 /nfs/dbraw/zinc/09/58/59/176095859.db2.gz KBAZJDVDNLAWNF-KOLCDFICSA-N 1 0 238.356 1.948 50 0 BDAARO C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000252134980 176156289 /nfs/dbraw/zinc/15/62/89/176156289.db2.gz LJNWJCNKYWCLFI-UTUOFQBUSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH3+] ZINC000238856904 176159537 /nfs/dbraw/zinc/15/95/37/176159537.db2.gz XPZSDTBGIYPHNS-BBBLOLIVSA-N 1 0 228.336 1.979 50 0 BDAARO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000023280891 176214709 /nfs/dbraw/zinc/21/47/09/176214709.db2.gz RLFHTJXOVOJYET-GMTAPVOTSA-N 1 0 210.321 1.433 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062902961 176256706 /nfs/dbraw/zinc/25/67/06/176256706.db2.gz VBTNZRDTPAVZNO-MFKMUULPSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H]1C[N@H+](Cc2ncc[nH]2)C[C@@]1(O)C1CCC1 ZINC000091657259 176312226 /nfs/dbraw/zinc/31/22/26/176312226.db2.gz WJOBAIXLJASPDK-MFKMUULPSA-N 1 0 235.331 1.393 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1ccsc1 ZINC000054370423 176327055 /nfs/dbraw/zinc/32/70/55/176327055.db2.gz BAFLBDJXXCYFMZ-MRVPVSSYSA-N 1 0 210.302 1.182 50 0 BDAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069951037 177008574 /nfs/dbraw/zinc/00/85/74/177008574.db2.gz TVYUXIAPFMRNSM-QEJZJMRPSA-N 1 0 249.354 1.955 50 0 BDAARO C[C@H](Oc1ccc(F)cc1)[C@H](O)CC[NH+](C)C ZINC000005662439 177023204 /nfs/dbraw/zinc/02/32/04/177023204.db2.gz PAJIAAWOFBIJMM-GXFFZTMASA-N 1 0 241.306 1.906 50 0 BDAARO C[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000022121076 177036536 /nfs/dbraw/zinc/03/65/36/177036536.db2.gz IWMQSFIWSOPWQP-SNVBAGLBSA-N 1 0 208.280 1.792 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000019410860 177073079 /nfs/dbraw/zinc/07/30/79/177073079.db2.gz VMMVKFDXSFIKOX-QWRGUYRKSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@H]1CCCN(C(=O)OC[C@H]2CCCC[NH2+]2)C1 ZINC000092742878 177093430 /nfs/dbraw/zinc/09/34/30/177093430.db2.gz LXTDAXNZJDWCHV-NWDGAFQWSA-N 1 0 240.347 1.997 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1C[NH3+] ZINC000070176109 177095379 /nfs/dbraw/zinc/09/53/79/177095379.db2.gz PEORCEXUPLLNEP-JQWIXIFHSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000039093802 177174280 /nfs/dbraw/zinc/17/42/80/177174280.db2.gz SBAAVGHNGCRJNY-IUCAKERBSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccn1C ZINC000093739042 177190607 /nfs/dbraw/zinc/19/06/07/177190607.db2.gz FOXILAUISDUQKS-NWDGAFQWSA-N 1 0 222.332 1.618 50 0 BDAARO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712244 177265897 /nfs/dbraw/zinc/26/58/97/177265897.db2.gz NAEAIOLWLQLRLN-JQWIXIFHSA-N 1 0 205.305 1.251 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1cccc(F)c1 ZINC000126365034 177283121 /nfs/dbraw/zinc/28/31/21/177283121.db2.gz YJFIJFCGQOKSSE-QRGHLMKCSA-N 1 0 248.301 1.659 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccsc1 ZINC000054370425 177283727 /nfs/dbraw/zinc/28/37/27/177283727.db2.gz BAFLBDJXXCYFMZ-QMMMGPOBSA-N 1 0 210.302 1.182 50 0 BDAARO C[C@@H]1C[C@H](C)CN(C(=O)n2cc[n+](C)c2)C1 ZINC000032628675 177311847 /nfs/dbraw/zinc/31/18/47/177311847.db2.gz YNEFSKHVKXFIMW-PHIMTYICSA-N 1 0 222.312 1.259 50 0 BDAARO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000032787949 177340234 /nfs/dbraw/zinc/34/02/34/177340234.db2.gz YLBBUPRUEKPQMR-AAEUAGOBSA-N 1 0 236.359 1.729 50 0 BDAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1n1[nH]c(=O)cc1N ZINC000003882289 177375282 /nfs/dbraw/zinc/37/52/82/177375282.db2.gz KERAHEXBXSFFAC-VGMNWLOBSA-N 1 0 224.308 1.072 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019409877 177390017 /nfs/dbraw/zinc/39/00/17/177390017.db2.gz NCQGMKPOEJHWRJ-WCQYABFASA-N 1 0 244.338 1.964 50 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CCCc1nc(N2CCC[C@@H](C[NH2+]C)C2)no1 ZINC000534638543 323157031 /nfs/dbraw/zinc/15/70/31/323157031.db2.gz IYIWCCMCYZKZQN-JTQLQIEISA-N 1 0 238.335 1.458 50 0 BDAARO c1cnn(CC2(C[NH2+][C@@H]3CCSC3)CC2)c1 ZINC000534656748 323157928 /nfs/dbraw/zinc/15/79/28/323157928.db2.gz WXDHHLRNOLIHIU-LLVKDONJSA-N 1 0 237.372 1.758 50 0 BDAARO O=C(C[C@H]1CC1(F)F)NCC1CC[NH2+]CC1 ZINC000534675627 323159845 /nfs/dbraw/zinc/15/98/45/323159845.db2.gz ZSTQVCBQQGSWFS-VIFPVBQESA-N 1 0 232.274 1.148 50 0 BDAARO CS[C@H](C)C(=O)NCC[N@H+](C(C)C)C1CC1 ZINC000084597261 488069309 /nfs/dbraw/zinc/06/93/09/488069309.db2.gz PZONMNMTNYWNPE-SNVBAGLBSA-N 1 0 244.404 1.727 50 0 BDAARO C[C@H](NC(=S)NC1CC[NH+](C)CC1)C1CC1 ZINC000084636407 488074117 /nfs/dbraw/zinc/07/41/17/488074117.db2.gz AIXQZPNXZZWJFJ-VIFPVBQESA-N 1 0 241.404 1.343 50 0 BDAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)C1CC=CC1)C2 ZINC000670472348 487532473 /nfs/dbraw/zinc/53/24/73/487532473.db2.gz DADVYPNYXGNGQC-JSGCOSHPSA-N 1 0 248.370 1.895 50 0 BDAARO 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CC[C@H](C)[C@H]([NH3+])C(=O)NCCCc1ccccn1 ZINC000182649600 521946213 /nfs/dbraw/zinc/94/62/13/521946213.db2.gz NZKHMKGQIZYIPB-AAEUAGOBSA-N 1 0 249.358 1.504 50 0 BDAARO C[N@H+](CCNC(=O)NCC1CC1)C1CCCC1 ZINC000069583767 522849631 /nfs/dbraw/zinc/84/96/31/522849631.db2.gz OSTRRNQXNNHNNT-UHFFFAOYSA-N 1 0 239.363 1.570 50 0 BDAARO C[NH+](C)CCCOC(=O)COc1ccccc1 ZINC000002818354 524057500 /nfs/dbraw/zinc/05/75/00/524057500.db2.gz FSZLJXFLFKTSJB-UHFFFAOYSA-N 1 0 237.299 1.560 50 0 BDAARO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[nH]1 ZINC000153859949 524228252 /nfs/dbraw/zinc/22/82/52/524228252.db2.gz GRQUXFSLQHOKQY-PHIMTYICSA-N 1 0 235.331 1.454 50 0 BDAARO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH]1 ZINC000153860062 524228273 /nfs/dbraw/zinc/22/82/73/524228273.db2.gz GRQUXFSLQHOKQY-GHMZBOCLSA-N 1 0 235.331 1.454 50 0 BDAARO Cc1ccc(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000153942199 524259669 /nfs/dbraw/zinc/25/96/69/524259669.db2.gz DJEXRYQOZOIMGU-RYUDHWBXSA-N 1 0 247.342 1.141 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OCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000006603230 349441274 /nfs/dbraw/zinc/44/12/74/349441274.db2.gz AFIHDUMBMCABLM-HUUCEWRRSA-N 1 0 249.354 1.957 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]2[NH3+] ZINC000071373466 398147937 /nfs/dbraw/zinc/14/79/37/398147937.db2.gz JRZFZVWZIJNIEQ-XHNCKOQMSA-N 1 0 212.293 1.486 50 0 BDAARO CCC(CC)C(=O)NC1CC[NH+](C)CC1 ZINC000016602535 168337096 /nfs/dbraw/zinc/33/70/96/168337096.db2.gz GUAHSTRYDQVOFQ-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO Cc1ccc(F)c(C[NH2+]CC[S@@](C)=O)c1 ZINC000095398053 187325389 /nfs/dbraw/zinc/32/53/89/187325389.db2.gz HZONWTSSTAHCFQ-HNNXBMFYSA-N 1 0 229.320 1.602 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccncc2F)C[C@@H](C)[NH2+]1 ZINC000086316819 398202698 /nfs/dbraw/zinc/20/26/98/398202698.db2.gz DBVZYWLFNMGABH-RKDXNWHRSA-N 1 0 237.278 1.043 50 0 BDAARO Cc1cc(NC(=O)CN2CCC[C@@H](C)C2)no1 ZINC000004968583 178130570 /nfs/dbraw/zinc/13/05/70/178130570.db2.gz KQXJDEXERYSSRV-SECBINFHSA-N 1 0 237.303 1.653 50 0 BDAARO Cc1cc(NC(=O)C[NH2+]Cc2ccccc2)no1 ZINC000091302313 178133293 /nfs/dbraw/zinc/13/32/93/178133293.db2.gz NBMNSSQOXRXYMC-UHFFFAOYSA-N 1 0 245.282 1.711 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C[NH3+] ZINC000261508975 398208874 /nfs/dbraw/zinc/20/88/74/398208874.db2.gz YSMVRMWNBGATCE-JGPRNRPPSA-N 1 0 240.347 1.838 50 0 BDAARO Cc1cc2c(c(-c3cnccn3)c1)O[C@H](C[NH3+])C2 ZINC000067966413 178282324 /nfs/dbraw/zinc/28/23/24/178282324.db2.gz HPQIXPMPSYCBSE-NSHDSACASA-N 1 0 241.294 1.714 50 0 BDAARO CCC(CC)N(CC(C)C)C(=O)C[NH3+] ZINC000086453623 168368629 /nfs/dbraw/zinc/36/86/29/168368629.db2.gz ZOBCEWDEAMBDBX-UHFFFAOYSA-N 1 0 200.326 1.618 50 0 BDAARO Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)s1 ZINC000044512930 178383906 /nfs/dbraw/zinc/38/39/06/178383906.db2.gz DUMBHUSTTGIBRD-UHFFFAOYSA-N 1 0 238.356 1.867 50 0 BDAARO Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)c(C)n1 ZINC000055331133 178384249 /nfs/dbraw/zinc/38/42/49/178384249.db2.gz IKUBWAFMINZMTK-UHFFFAOYSA-N 1 0 247.342 1.509 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])o1 ZINC000063193684 178387541 /nfs/dbraw/zinc/38/75/41/178387541.db2.gz OGFVRDKNMAQOLA-GHMZBOCLSA-N 1 0 236.315 1.930 50 0 BDAARO C[C@@H](O)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000000333230 342683580 /nfs/dbraw/zinc/68/35/80/342683580.db2.gz PKDKOMSASKISIZ-SSDOTTSWSA-N 1 0 205.261 1.459 50 0 BDAARO CCc1c(C)[nH+]c(N)nc1N1CCCC1 ZINC000000448934 342687867 /nfs/dbraw/zinc/68/78/67/342687867.db2.gz FPFBRHAVBCYLRI-UHFFFAOYSA-N 1 0 206.293 1.530 50 0 BDAARO Cn1c2ccccc2n(C2CC[NH2+]CC2)c1=O ZINC000002391890 342719988 /nfs/dbraw/zinc/71/99/88/342719988.db2.gz VEWTUUDVRSEVLC-UHFFFAOYSA-N 1 0 231.299 1.265 50 0 BDAARO c1cn([C@@H]2CCC[C@H]2[NH2+]C2CCOCC2)cn1 ZINC000037106389 538961828 /nfs/dbraw/zinc/96/18/28/538961828.db2.gz XQLSHRWPTKXEHA-CHWSQXEVSA-N 1 0 235.331 1.745 50 0 BDAARO O=C(C[NH+]1CCCCC1)NCc1ccccc1 ZINC000002841815 342727392 /nfs/dbraw/zinc/72/73/92/342727392.db2.gz LVXRORSBGFMVNL-UHFFFAOYSA-N 1 0 232.327 1.789 50 0 BDAARO Cc1cc(C(=O)NC2CC[NH+](C)CC2)cs1 ZINC000004804113 342752315 /nfs/dbraw/zinc/75/23/15/342752315.db2.gz SIWJJPPJAFHZCO-UHFFFAOYSA-N 1 0 238.356 1.881 50 0 BDAARO O=C(C[NH2+]Cc1ccccc1)Nc1nccs1 ZINC000039384995 538969545 /nfs/dbraw/zinc/96/95/45/538969545.db2.gz GJHFSBVIBIRIPR-UHFFFAOYSA-N 1 0 247.323 1.871 50 0 BDAARO CCOc1ccc(C[NH2+]CCOC)cc1OC ZINC000004700156 342750558 /nfs/dbraw/zinc/75/05/58/342750558.db2.gz DBIPQAJQNHLIDZ-UHFFFAOYSA-N 1 0 239.315 1.830 50 0 BDAARO Cn1c2ccc(C[NH2+]C(C)(C)C)cc2n(C)c1=O ZINC000006744362 342782017 /nfs/dbraw/zinc/78/20/17/342782017.db2.gz WDZVCIAQKGMNCG-UHFFFAOYSA-N 1 0 247.342 1.765 50 0 BDAARO Clc1cccc2c1CCN1CC[NH2+]C[C@H]21 ZINC000019788478 342789245 /nfs/dbraw/zinc/78/92/45/342789245.db2.gz PCJHIOJAJRVRMN-GFCCVEGCSA-N 1 0 222.719 1.842 50 0 BDAARO Cc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1 ZINC000019669045 342789303 /nfs/dbraw/zinc/78/93/03/342789303.db2.gz XVUWQPJEQJZHGA-JTQLQIEISA-N 1 0 206.245 1.279 50 0 BDAARO C1C[NH2+]C[C@@H](c2nnc3n2CCCCC3)C1 ZINC000009458297 342816453 /nfs/dbraw/zinc/81/64/53/342816453.db2.gz RMOJOJDSSOTAMN-JTQLQIEISA-N 1 0 220.320 1.472 50 0 BDAARO O=C(Nc1ccc(F)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335622489 136239863 /nfs/dbraw/zinc/23/98/63/136239863.db2.gz OYJISTOFVIJLOF-PELKAZGASA-N 1 0 220.247 1.516 50 0 BDAARO O=C1OC[C@H]2[C@H]([NH2+]Cc3ccccc3)CCCN12 ZINC000097757497 342837607 /nfs/dbraw/zinc/83/76/07/342837607.db2.gz JXMGZQLHAJPGBK-OLZOCXBDSA-N 1 0 246.310 1.759 50 0 BDAARO C[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000012370540 342850380 /nfs/dbraw/zinc/85/03/80/342850380.db2.gz BQLXMVISWVMAID-UHFFFAOYSA-N 1 0 201.273 1.651 50 0 in-vitro BDAARO Nc1cc(F)ccc1OCC[NH+]1CCCC1 ZINC000012395391 342851109 /nfs/dbraw/zinc/85/11/09/342851109.db2.gz KNQIIYCMJJNKCY-UHFFFAOYSA-N 1 0 224.279 1.883 50 0 BDAARO COC(=O)c1ccccc1OCCC[NH3+] ZINC000012417876 342851829 /nfs/dbraw/zinc/85/18/29/342851829.db2.gz DHXCJUPUYIENRV-UHFFFAOYSA-N 1 0 209.245 1.201 50 0 BDAARO [NH3+][C@H](CCO)c1cccc(Br)c1 ZINC000012648874 342856035 /nfs/dbraw/zinc/85/60/35/342856035.db2.gz ITAZYIGUHYEVEU-SECBINFHSA-N 1 0 230.105 1.831 50 0 BDAARO Cc1ccc(N2C[C@H]([NH3+])CC2=O)cc1C ZINC000015015141 342890671 /nfs/dbraw/zinc/89/06/71/342890671.db2.gz LJADIEBJFWXYIR-SNVBAGLBSA-N 1 0 204.273 1.367 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000015015133 342890684 /nfs/dbraw/zinc/89/06/84/342890684.db2.gz HJDQGJRNNAVWDA-SSDOTTSWSA-N 1 0 210.664 1.404 50 0 BDAARO CC(C)(C)[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000016473287 342911095 /nfs/dbraw/zinc/91/10/95/342911095.db2.gz RFFPUTHQCVTUQV-UHFFFAOYSA-N 1 0 241.335 1.143 50 0 BDAARO O=C(Cc1ccccc1)C[NH+]1CCCC1 ZINC000037332174 342927537 /nfs/dbraw/zinc/92/75/37/342927537.db2.gz MCBOIRVFUMGIIA-UHFFFAOYSA-N 1 0 203.285 1.894 50 0 BDAARO COc1cccc2c1C[C@@H]([NH+](C)C)CO2 ZINC000004128660 398328587 /nfs/dbraw/zinc/32/85/87/398328587.db2.gz RDBLNRARYUBTRQ-SECBINFHSA-N 1 0 207.273 1.560 50 0 BDAARO Nc1cc(C[NH+]2CCC(CF)CC2)ccn1 ZINC000295203800 398337400 /nfs/dbraw/zinc/33/74/00/398337400.db2.gz VPTUHNCZQUFYEO-UHFFFAOYSA-N 1 0 223.295 1.845 50 0 BDAARO NNC1CC[NH+](Cc2ccccc2)CC1 ZINC000019169345 342943014 /nfs/dbraw/zinc/94/30/14/342943014.db2.gz NUOSLMCEEMBSSI-UHFFFAOYSA-N 1 0 205.305 1.114 50 0 BDAARO Cc1ccc(CNCC[NH2+]C[C@H](C)O)s1 ZINC000019217277 342943917 /nfs/dbraw/zinc/94/39/17/342943917.db2.gz JZZKGESVCWVVPX-VIFPVBQESA-N 1 0 228.361 1.117 50 0 BDAARO COc1ccc(C[NH+]2CCCC2)cc1N ZINC000019230426 342944289 /nfs/dbraw/zinc/94/42/89/342944289.db2.gz DFCHYLHKWPSOCX-UHFFFAOYSA-N 1 0 206.289 1.873 50 0 BDAARO CN(C)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000019686787 342953936 /nfs/dbraw/zinc/95/39/36/342953936.db2.gz JEQWEJVSTRSPOX-JTQLQIEISA-N 1 0 205.305 1.615 50 0 BDAARO Cc1ccsc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019772603 342957087 /nfs/dbraw/zinc/95/70/87/342957087.db2.gz NEVTUOXMXBKTFQ-VIFPVBQESA-N 1 0 245.369 1.333 50 0 BDAARO Fc1ccccc1[C@@H]1NCC[C@@H]2[NH+]=CN[C@@H]21 ZINC000019804926 342958619 /nfs/dbraw/zinc/95/86/19/342958619.db2.gz CUGLGYBRHHCWRK-SRVKXCTJSA-N 1 0 219.263 1.229 50 0 BDAARO Cc1ccc(OCC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000020182636 187205647 /nfs/dbraw/zinc/20/56/47/187205647.db2.gz ARQDGKGJLINZMT-LBPRGKRZSA-N 1 0 248.326 1.324 50 0 BDAARO CSc1nc2[nH]c3c(c2c(NN)[nH+]1)CCCC3 ZINC000000500897 346908623 /nfs/dbraw/zinc/90/86/23/346908623.db2.gz SYINICTVKAYUJK-UHFFFAOYSA-N 1 0 249.343 1.844 50 0 BDAARO Cc1ccc(CN2CC[NH2+]C[C@H]2CCO)cc1 ZINC000019943105 342963997 /nfs/dbraw/zinc/96/39/97/342963997.db2.gz IXXSPKBMIASMPS-CQSZACIVSA-N 1 0 234.343 1.151 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000020577490 342991723 /nfs/dbraw/zinc/99/17/23/342991723.db2.gz PIZODTVQRJPXQY-VIFPVBQESA-N 1 0 245.225 1.851 50 0 BDAARO Cc1ccoc1C(=O)N1CCC([NH3+])CC1 ZINC000022146101 343042258 /nfs/dbraw/zinc/04/22/58/343042258.db2.gz UXNHFGXGICBPNX-UHFFFAOYSA-N 1 0 208.261 1.151 50 0 BDAARO CN(C)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022165280 343042658 /nfs/dbraw/zinc/04/26/58/343042658.db2.gz AULCFBIWGKOTRZ-SNVBAGLBSA-N 1 0 200.232 1.526 50 0 BDAARO O=C(c1cc(Cl)ccc1F)N1CC[NH2+]CC1 ZINC000021951569 343029280 /nfs/dbraw/zinc/02/92/80/343029280.db2.gz ZSMRTVWEAIFCJF-UHFFFAOYSA-N 1 0 242.681 1.525 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]C[C@H]21 ZINC000022015981 343035522 /nfs/dbraw/zinc/03/55/22/343035522.db2.gz OIKZNKIPPFFTKA-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO Cc1n[nH]cc1CNCC[NH+]1CCCCCC1 ZINC000040447588 187230728 /nfs/dbraw/zinc/23/07/28/187230728.db2.gz YUAVXGUUEOPZPB-UHFFFAOYSA-N 1 0 236.363 1.684 50 0 BDAARO CCC[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000025108696 343087385 /nfs/dbraw/zinc/08/73/85/343087385.db2.gz PYTGOQORCFQPSZ-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO CCc1nc(CN2CC[NH2+]CC2)cs1 ZINC000026471232 343105598 /nfs/dbraw/zinc/10/55/98/343105598.db2.gz ZQFCRABHPYRCHC-UHFFFAOYSA-N 1 0 211.334 1.111 50 0 BDAARO O=c1oc2ccccc2n1CN1CCC[C@H](O)C1 ZINC000007011852 187248343 /nfs/dbraw/zinc/24/83/43/187248343.db2.gz ABUBXJJPLKQAEB-JTQLQIEISA-N 1 0 248.282 1.009 50 0 BDAARO Clc1nc(Cl)c2c(n1)CC[NH2+]C2 ZINC000030678448 343193427 /nfs/dbraw/zinc/19/34/27/343193427.db2.gz JIKUEJBOVULINO-UHFFFAOYSA-N 1 0 204.060 1.429 50 0 BDAARO CC[C@H]1C[N@@H+](C2CCSCC2)CCN1C ZINC000032511759 343236669 /nfs/dbraw/zinc/23/66/69/343236669.db2.gz UTUAMLTVUSYSLV-NSHDSACASA-N 1 0 228.405 1.908 50 0 BDAARO Cc1ccc(CN(C)C(=O)n2cc[n+](C)c2)cc1 ZINC000032628699 343238940 /nfs/dbraw/zinc/23/89/40/343238940.db2.gz CAVJBZPSWXGKLG-UHFFFAOYSA-N 1 0 244.318 1.721 50 0 BDAARO Cc1cc(C[N@@H+](C)CCCc2nccn2C)on1 ZINC000215599074 136277758 /nfs/dbraw/zinc/27/77/58/136277758.db2.gz XDQGUOAWIAHLQA-UHFFFAOYSA-N 1 0 248.330 1.781 50 0 BDAARO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000034103769 343264776 /nfs/dbraw/zinc/26/47/76/343264776.db2.gz IJYPYUPBGKMAPY-JTQLQIEISA-N 1 0 245.731 1.476 50 0 in-vitro BDAARO Cc1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000019620910 187252824 /nfs/dbraw/zinc/25/28/24/187252824.db2.gz NMTCQEIEKVUWQE-UHFFFAOYSA-N 1 0 220.316 1.279 50 0 BDAARO C[C@@H]1CCC[C@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757650 343269977 /nfs/dbraw/zinc/26/99/77/343269977.db2.gz YBANFNLAJNEODD-PWSUYJOCSA-N 1 0 224.348 1.762 50 0 BDAARO CC(C)C[C@H]([NH3+])c1nnc2ccccn21 ZINC000019480746 187252923 /nfs/dbraw/zinc/25/29/23/187252923.db2.gz STGGMMMPXMVMBT-VIFPVBQESA-N 1 0 204.277 1.775 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@]1(O)C(=O)c1ccccc1 ZINC000004836861 343273527 /nfs/dbraw/zinc/27/35/27/343273527.db2.gz FVSPEICUIGLILX-SMDDNHRTSA-N 1 0 233.311 1.572 50 0 BDAARO COc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000019412217 187251515 /nfs/dbraw/zinc/25/15/15/187251515.db2.gz CMJWVJDQPINXST-UHFFFAOYSA-N 1 0 234.299 1.633 50 0 BDAARO O=c1[nH]ccc2cc(OC3CC[NH2+]CC3)ccc21 ZINC000034603838 343275849 /nfs/dbraw/zinc/27/58/49/343275849.db2.gz IPEXHQGMTHOKQV-UHFFFAOYSA-N 1 0 244.294 1.659 50 0 in-man BDAARO Cc1cc(C)n(Cc2cccc(C(N)=[NH2+])c2)n1 ZINC000019424506 187251741 /nfs/dbraw/zinc/25/17/41/187251741.db2.gz NAOHVAPSCJLPDZ-UHFFFAOYSA-N 1 0 228.299 1.832 50 0 BDAARO C[C@@H](Nc1cc[nH+]cc1N)[C@H]1CCCO1 ZINC000035734651 343303180 /nfs/dbraw/zinc/30/31/80/343303180.db2.gz HEVLKRGBQKVEKS-LDYMZIIASA-N 1 0 207.277 1.643 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000037083386 343333048 /nfs/dbraw/zinc/33/30/48/343333048.db2.gz HRRKQAMRQIDINZ-GHMZBOCLSA-N 1 0 212.337 1.761 50 0 BDAARO COC(=O)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000036108825 343309267 /nfs/dbraw/zinc/30/92/67/343309267.db2.gz ZYKBDGYQTKXXTM-NSHDSACASA-N 1 0 205.257 1.437 50 0 BDAARO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000038478354 343375565 /nfs/dbraw/zinc/37/55/65/343375565.db2.gz WHBRACGDXAWFBY-OLZOCXBDSA-N 1 0 230.311 1.222 50 0 BDAARO Cc1ccc(CC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000050245762 178517119 /nfs/dbraw/zinc/51/71/19/178517119.db2.gz DCENUZYVHFCTIH-CYBMUJFWSA-N 1 0 232.327 1.345 50 0 BDAARO COc1ccc([C@H](O)[C@@H]2CCC[NH2+]2)cc1 ZINC000032011719 187256251 /nfs/dbraw/zinc/25/62/51/187256251.db2.gz CPOJMIWZUKSHFY-RYUDHWBXSA-N 1 0 207.273 1.481 50 0 BDAARO CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000037619445 343349785 /nfs/dbraw/zinc/34/97/85/343349785.db2.gz XMVAHBOQEJEPLZ-CMPLNLGQSA-N 1 0 235.331 1.776 50 0 BDAARO Cc1ccc2[nH]c(=O)n(C3CC[NH2+]CC3)c2c1 ZINC000034624054 187257812 /nfs/dbraw/zinc/25/78/12/187257812.db2.gz RSJMPXDGTKPKFK-UHFFFAOYSA-N 1 0 231.299 1.563 50 0 BDAARO CO[C@@H]1C[NH2+][C@H](c2nc(-c3cccnc3)c[nH]2)C1 ZINC000040637906 343407908 /nfs/dbraw/zinc/40/79/08/343407908.db2.gz YSCCZNNXGFUKFS-QWRGUYRKSA-N 1 0 244.298 1.521 50 0 BDAARO CCN(C(=O)C(C)(C)[NH3+])C1CCCCC1 ZINC000040920226 343411267 /nfs/dbraw/zinc/41/12/67/343411267.db2.gz FWIZYLFCNNSATK-UHFFFAOYSA-N 1 0 212.337 1.905 50 0 BDAARO COC(=O)c1ccccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042775627 343452567 /nfs/dbraw/zinc/45/25/67/343452567.db2.gz ILJUEYZJRIQTBS-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO CCN(Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000042783324 343452886 /nfs/dbraw/zinc/45/28/86/343452886.db2.gz VJSDETCBJFSOJU-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO Fc1cc(F)cc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000042782999 343452971 /nfs/dbraw/zinc/45/29/71/343452971.db2.gz SENQIPKVSADNHD-LLVKDONJSA-N 1 0 213.227 1.843 50 0 BDAARO COC(=O)c1ccccc1CO[C@H]1CC[NH2+]C1 ZINC000042782949 343453048 /nfs/dbraw/zinc/45/30/48/343453048.db2.gz WSXXILVLRJMBIB-NSHDSACASA-N 1 0 235.283 1.352 50 0 BDAARO Cc1ccc(CN2CC[NH2+]CCC2=O)cc1 ZINC000042784344 343453997 /nfs/dbraw/zinc/45/39/97/343453997.db2.gz WHIVKULULLWRNZ-UHFFFAOYSA-N 1 0 218.300 1.317 50 0 BDAARO Cc1cc(C)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000044711259 343512571 /nfs/dbraw/zinc/51/25/71/343512571.db2.gz MDUPGNSQLFRTCG-UHFFFAOYSA-N 1 0 220.320 1.235 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000040434221 187263310 /nfs/dbraw/zinc/26/33/10/187263310.db2.gz POAITPDWFLPKTR-SECBINFHSA-N 1 0 224.329 1.478 50 0 BDAARO COc1cc(CO[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000048895436 343589657 /nfs/dbraw/zinc/58/96/57/343589657.db2.gz SFHZQLBMPWMVQB-NSHDSACASA-N 1 0 237.299 1.582 50 0 BDAARO CC(C)C[C@@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000062152022 187273283 /nfs/dbraw/zinc/27/32/83/187273283.db2.gz OMUFVQWMZAPPGI-SECBINFHSA-N 1 0 216.325 1.885 50 0 BDAARO CC(=O)N1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000068589826 187274670 /nfs/dbraw/zinc/27/46/70/187274670.db2.gz PGPPWUWWIXVYRC-CYBMUJFWSA-N 1 0 224.348 1.777 50 0 BDAARO CC(C)[C@@](C)([NH3+])CNC(=O)OC(C)(C)C ZINC000068591715 187274876 /nfs/dbraw/zinc/27/48/76/187274876.db2.gz MXRCYWDIHPLOMW-NSHDSACASA-N 1 0 216.325 1.885 50 0 BDAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000069452621 187275041 /nfs/dbraw/zinc/27/50/41/187275041.db2.gz KAUQTQMZWMHEHM-LBPRGKRZSA-N 1 0 244.338 1.901 50 0 BDAARO OC[C@@H]1CSC[C@H](c2ccccc2)[NH2+]1 ZINC000068575702 187275051 /nfs/dbraw/zinc/27/50/51/187275051.db2.gz UWFUIBSJCDOJPV-GHMZBOCLSA-N 1 0 209.314 1.425 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000092560232 187275662 /nfs/dbraw/zinc/27/56/62/187275662.db2.gz INVSLLICMTXVTR-WCQYABFASA-N 1 0 226.364 1.929 50 0 BDAARO c1ccc2c(c1)CC[C@@H](NC1=[NH+]CCN1)C2 ZINC000069739001 537831193 /nfs/dbraw/zinc/83/11/93/537831193.db2.gz GDIUWJYUCWTVLA-GFCCVEGCSA-N 1 0 215.300 1.093 50 0 BDAARO CC(=O)N1CCCCC[C@@H]2[NH2+]CC[C@@]21C ZINC000077010463 187280102 /nfs/dbraw/zinc/28/01/02/187280102.db2.gz PTIPQOYSGXIGED-RYUDHWBXSA-N 1 0 210.321 1.530 50 0 BDAARO CC(C)CN(CC(N)=O)Cc1cncs1 ZINC000092011150 344287766 /nfs/dbraw/zinc/28/77/66/344287766.db2.gz CAWQZAOHMFILCF-UHFFFAOYSA-N 1 0 227.333 1.086 50 0 BDAARO CCc1cnc(N)nc1NC[C@H]1CCCCC[NH2+]1 ZINC000095357589 344334558 /nfs/dbraw/zinc/33/45/58/344334558.db2.gz JDGWYTGXGFAMHO-LLVKDONJSA-N 1 0 249.362 1.565 50 0 BDAARO C1CCC(c2nc([C@H]3C[NH2+]CCO3)no2)C1 ZINC000098213674 187290585 /nfs/dbraw/zinc/29/05/85/187290585.db2.gz ARDSWRBDDFUCDZ-SECBINFHSA-N 1 0 223.276 1.388 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CCC([NH3+])CC1 ZINC000062664100 178682419 /nfs/dbraw/zinc/68/24/19/178682419.db2.gz CDKGVVNHSHGIMI-UHFFFAOYSA-N 1 0 236.290 1.697 50 0 BDAARO COc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)ccc1N ZINC000114003166 344682054 /nfs/dbraw/zinc/68/20/54/344682054.db2.gz ZBQZMPOLCXEVMD-ZDUSSCGKSA-N 1 0 249.358 1.841 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000237824662 187295981 /nfs/dbraw/zinc/29/59/81/187295981.db2.gz AWTOKVNXMZVMGJ-NPQIQWPPSA-N 1 0 244.338 1.958 50 0 BDAARO O=C(NC[C@@H]1C[NH2+]CC12CCCCC2)C1CC1 ZINC000409419504 344966106 /nfs/dbraw/zinc/96/61/06/344966106.db2.gz HKZIDPXCWJOVBS-LBPRGKRZSA-N 1 0 236.359 1.683 50 0 BDAARO CC(C)=CCC[C@H](C)CC[NH2+]C[C@H](O)CO ZINC000002291917 187302360 /nfs/dbraw/zinc/30/23/60/187302360.db2.gz UDCNTWBKSIGAJC-STQMWFEESA-N 1 0 229.364 1.702 50 0 BDAARO CC(=O)OCc1c(C)n(O)c2ccccc2[n+]1=O ZINC000196391030 349928591 /nfs/dbraw/zinc/92/85/91/349928591.db2.gz HZOYBIGRNALUEN-UHFFFAOYSA-N 1 0 249.246 1.165 50 0 BDAARO [NH3+][C@H]1CCN(c2ccncc2Br)C1 ZINC000159892467 345584232 /nfs/dbraw/zinc/58/42/32/345584232.db2.gz LDAKYCWXMPAAMP-ZETCQYMHSA-N 1 0 242.120 1.382 50 0 BDAARO CC1(C)OC[C@@H]([NH3+])[C@H](c2ccccc2)O1 ZINC000016037524 187309962 /nfs/dbraw/zinc/30/99/62/187309962.db2.gz ILNGCJMEDIBPTL-MNOVXSKESA-N 1 0 207.273 1.838 50 0 BDAARO [NH3+][C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000034216957 345926755 /nfs/dbraw/zinc/92/67/55/345926755.db2.gz QYWBKHBCEIIAMQ-LLVKDONJSA-N 1 0 204.273 1.136 50 0 BDAARO CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019537197 187313652 /nfs/dbraw/zinc/31/36/52/187313652.db2.gz CXTJKIKSCWIABI-UHFFFAOYSA-N 1 0 247.342 1.392 50 0 BDAARO CC(C)[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000032770107 187362732 /nfs/dbraw/zinc/36/27/32/187362732.db2.gz KNFCYBGCUGZPPQ-UHFFFAOYSA-N 1 0 224.348 1.729 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])n1 ZINC000063192691 179008291 /nfs/dbraw/zinc/00/82/91/179008291.db2.gz KVSXMJZKXXBHMD-AAEUAGOBSA-N 1 0 247.342 1.732 50 0 BDAARO CCCn1cnnc1C[NH2+]C1CCCC1 ZINC000054497900 187318714 /nfs/dbraw/zinc/31/87/14/187318714.db2.gz MTNVNDADBPUXJM-UHFFFAOYSA-N 1 0 208.309 1.720 50 0 BDAARO Cc1cccc(C)c1NC(=O)C[NH2+]CCCO ZINC000006787213 179041090 /nfs/dbraw/zinc/04/10/90/179041090.db2.gz NUQUXXDLXWFZNK-UHFFFAOYSA-N 1 0 236.315 1.214 50 0 BDAARO C[C@@H](CNC(=O)c1ccccc1F)C[NH+](C)C ZINC000002873011 346534423 /nfs/dbraw/zinc/53/44/23/346534423.db2.gz LXBMWURLUPMJAG-JTQLQIEISA-N 1 0 238.306 1.753 50 0 BDAARO COCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000106661893 346653659 /nfs/dbraw/zinc/65/36/59/346653659.db2.gz TWVWDDXPHXHTDC-NWDGAFQWSA-N 1 0 240.347 1.108 50 0 BDAARO Cc1cccc(NCCCO[C@H]2CCOC2)[nH+]1 ZINC000157952843 179143672 /nfs/dbraw/zinc/14/36/72/179143672.db2.gz ZFVRONUHTHHDDJ-LBPRGKRZSA-N 1 0 236.315 1.998 50 0 BDAARO Cc1ccccc1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000019268931 179251468 /nfs/dbraw/zinc/25/14/68/179251468.db2.gz VCHDTMSZOTUODZ-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000094345294 179252541 /nfs/dbraw/zinc/25/25/41/179252541.db2.gz PWYNMVCKSQNNIZ-YPMHNXCESA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1C(C)(C)CNC1=[NH+]CCN1 ZINC000066245875 179253690 /nfs/dbraw/zinc/25/36/90/179253690.db2.gz VAYCLEYLMLXAOC-UHFFFAOYSA-N 1 0 231.343 1.821 50 0 BDAARO Cc1ccccc1CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000041028489 179257449 /nfs/dbraw/zinc/25/74/49/179257449.db2.gz XUSQDFKMEDVYBV-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO Cc1ccccc1OCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000058233654 179309777 /nfs/dbraw/zinc/30/97/77/179309777.db2.gz CNBZDLFGKXOOTB-GFCCVEGCSA-N 1 0 248.326 1.194 50 0 BDAARO Cc1ccccc1[C@@H](C)NC(=O)C(C)(C)[NH3+] ZINC000040925522 179319967 /nfs/dbraw/zinc/31/99/67/179319967.db2.gz SLCNONBDSOGJET-SNVBAGLBSA-N 1 0 220.316 1.910 50 0 BDAARO Cc1ccccc1[C@H](C)[N@@H+]1CCNC(=O)CC1 ZINC000089689145 179336276 /nfs/dbraw/zinc/33/62/76/179336276.db2.gz IEUSMYFMUWTXRD-LBPRGKRZSA-N 1 0 232.327 1.878 50 0 BDAARO C[C@H](C(=O)NC1CC1)[NH+]1CCC(C)CC1 ZINC000032751307 133745469 /nfs/dbraw/zinc/74/54/69/133745469.db2.gz ORTSEUMUVPTDRH-SNVBAGLBSA-N 1 0 210.321 1.385 50 0 BDAARO Cc1cncc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000226401114 179676796 /nfs/dbraw/zinc/67/67/96/179676796.db2.gz XMRGTIHGLUYQER-UHFFFAOYSA-N 1 0 233.315 1.990 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251033528 538032385 /nfs/dbraw/zinc/03/23/85/538032385.db2.gz LPAQALFERBCDIB-VWYCJHECSA-N 1 0 210.321 1.372 50 0 BDAARO Cc1ccc[nH+]c1NNC=C1C=CC=N1 ZINC000221677186 349274619 /nfs/dbraw/zinc/27/46/19/349274619.db2.gz PXKAZBFPWMMURA-CSKARUKUSA-N 1 0 200.245 1.789 50 0 BDAARO Cc1nc(CNC(=O)C2CC[NH2+]CC2)cs1 ZINC000041011249 179963860 /nfs/dbraw/zinc/96/38/60/179963860.db2.gz WCQDMMJHNVFFLD-UHFFFAOYSA-N 1 0 239.344 1.067 50 0 BDAARO CCCNC(=O)NCC1([NH3+])CCC(CC)CC1 ZINC000725255332 538050629 /nfs/dbraw/zinc/05/06/29/538050629.db2.gz YZXGIGSJFXKEDY-UHFFFAOYSA-N 1 0 241.379 1.993 50 0 BDAARO Cc1nc[nH]c1C[N@@H+](C)CC1(CO)CCCC1 ZINC000065409300 180118439 /nfs/dbraw/zinc/11/84/39/180118439.db2.gz JRJSGWNAJWDHGT-UHFFFAOYSA-N 1 0 237.347 1.703 50 0 BDAARO Cc1[nH]cnc1-c1nccn1CCC[NH+](C)C ZINC000067851259 180119759 /nfs/dbraw/zinc/11/97/59/180119759.db2.gz MROLCIFXCAFWSI-UHFFFAOYSA-N 1 0 233.319 1.533 50 0 BDAARO Cc1ncc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000101425190 180145286 /nfs/dbraw/zinc/14/52/86/180145286.db2.gz FLXPPMPDOUJTDI-GZMMTYOYSA-N 1 0 225.361 1.621 50 0 BDAARO Cc1ncccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237619921 180224959 /nfs/dbraw/zinc/22/49/59/180224959.db2.gz WNACTHNMRGUSCE-LLVKDONJSA-N 1 0 249.314 1.097 50 0 BDAARO Cc1nccn1Cc1cccc(C[NH3+])c1 ZINC000020282595 180270250 /nfs/dbraw/zinc/27/02/50/180270250.db2.gz DVUPGUAHJJFIPS-UHFFFAOYSA-N 1 0 201.273 1.699 50 0 BDAARO c1nc(NC2CC[NH2+]CC2)cc([C@@H]2CCOC2)n1 ZINC000426571490 191097389 /nfs/dbraw/zinc/09/73/89/191097389.db2.gz LUPAORCAHQJBLN-SNVBAGLBSA-N 1 0 248.330 1.144 50 0 BDAARO Cc1ncsc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000046745259 180305726 /nfs/dbraw/zinc/30/57/26/180305726.db2.gz FHZFNXRCJBQYIX-SSDOTTSWSA-N 1 0 227.333 1.131 50 0 BDAARO Cc1ncsc1CCN(C)[C@H]1CCC[NH2+]C1 ZINC000067433172 180307395 /nfs/dbraw/zinc/30/73/95/180307395.db2.gz FNBAWZOKICBZNA-NSHDSACASA-N 1 0 239.388 1.678 50 0 BDAARO Cc1ncsc1C[NH2+]C[C@H](O)c1ccco1 ZINC000080190105 180319479 /nfs/dbraw/zinc/31/94/79/180319479.db2.gz IEORUFHUBRZDBA-VIFPVBQESA-N 1 0 238.312 1.868 50 0 BDAARO CC(C)C[NH+]1CCC2(CC1)NCCc1nc[nH]c12 ZINC000065385370 350579349 /nfs/dbraw/zinc/57/93/49/350579349.db2.gz VZSKTDBJVKZINK-UHFFFAOYSA-N 1 0 248.374 1.503 50 0 BDAARO CCCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000036257729 358461641 /nfs/dbraw/zinc/46/16/41/358461641.db2.gz ZGODMVBECSEQBZ-NSHDSACASA-N 1 0 224.348 1.968 50 0 BDAARO Cn1c2ccccc2nc1CN1CCC[NH2+]CC1 ZINC000061145450 180618111 /nfs/dbraw/zinc/61/81/11/180618111.db2.gz OIZNWKNGQHFCMD-UHFFFAOYSA-N 1 0 244.342 1.369 50 0 BDAARO Cn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000005409178 180625624 /nfs/dbraw/zinc/62/56/24/180625624.db2.gz YIOLXYNYYMDFQD-SNVBAGLBSA-N 1 0 201.273 1.998 50 0 BDAARO CC(C)O[C@H]1C[N@H+](Cc2cccnc2)C[C@@H]1O ZINC000670473356 487535687 /nfs/dbraw/zinc/53/56/87/487535687.db2.gz NQXKYQRRKQWCRP-STQMWFEESA-N 1 0 236.315 1.052 50 0 BDAARO OC1(c2ccccn2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000670473120 487535814 /nfs/dbraw/zinc/53/58/14/487535814.db2.gz MKVPNVZMEDUACL-LBPRGKRZSA-N 1 0 248.326 1.154 50 0 BDAARO COc1ccc([C@@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000032011720 187938707 /nfs/dbraw/zinc/93/87/07/187938707.db2.gz CPOJMIWZUKSHFY-VXGBXAGGSA-N 1 0 207.273 1.481 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000012382488 187994100 /nfs/dbraw/zinc/99/41/00/187994100.db2.gz MBVVATOWIXECSH-UHFFFAOYSA-N 1 0 210.321 1.385 50 0 BDAARO C([C@H]1CCOC1)[N@@H+]1CCCSCC1 ZINC000095441989 188015977 /nfs/dbraw/zinc/01/59/77/188015977.db2.gz UDTFZUZGUULJBW-SNVBAGLBSA-N 1 0 201.335 1.462 50 0 BDAARO CC(C)[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000096997504 188017273 /nfs/dbraw/zinc/01/72/73/188017273.db2.gz RRYQFYQGWXRKIM-CMPLNLGQSA-N 1 0 220.316 1.847 50 0 BDAARO NC(=[NH2+])COc1ccc(Br)cc1 ZINC000016650072 181187149 /nfs/dbraw/zinc/18/71/49/181187149.db2.gz MBPGHKNUEBQRJP-UHFFFAOYSA-N 1 0 229.077 1.764 50 0 BDAARO NC(=[NH2+])c1ccc(Br)cn1 ZINC000071186710 181194344 /nfs/dbraw/zinc/19/43/44/181194344.db2.gz DZEPYTQXSKXWIO-UHFFFAOYSA-N 1 0 200.039 1.128 50 0 BDAARO NC(=O)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000000757154 181216098 /nfs/dbraw/zinc/21/60/98/181216098.db2.gz YQLILXGWOBOBGR-UHFFFAOYSA-N 1 0 246.354 1.817 50 0 BDAARO NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000060374337 181230825 /nfs/dbraw/zinc/23/08/25/181230825.db2.gz WDLQKODZVNQYKG-ZDUSSCGKSA-N 1 0 232.327 1.569 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010310875 181231786 /nfs/dbraw/zinc/23/17/86/181231786.db2.gz VDULILNKJGUCOM-LLVKDONJSA-N 1 0 204.273 1.309 50 0 BDAARO NC(=O)[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000095957852 181265294 /nfs/dbraw/zinc/26/52/94/181265294.db2.gz OXMUDBJAGRZDNY-ZDUSSCGKSA-N 1 0 248.326 1.229 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000249404102 181267105 /nfs/dbraw/zinc/26/71/05/181267105.db2.gz WAHHPEMMEVDRLM-IJLUTSLNSA-N 1 0 240.347 1.189 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000249404103 181267316 /nfs/dbraw/zinc/26/73/16/181267316.db2.gz WAHHPEMMEVDRLM-UTUOFQBUSA-N 1 0 240.347 1.189 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000006528239 181268906 /nfs/dbraw/zinc/26/89/06/181268906.db2.gz DUJCSUCQTBTAOI-SECBINFHSA-N 1 0 224.329 1.445 50 0 BDAARO O=c1cc2c(nn1CC1CC[NH2+]CC1)CCCC2 ZINC000618254214 356468709 /nfs/dbraw/zinc/46/87/09/356468709.db2.gz QNELVHKODBGPSW-UHFFFAOYSA-N 1 0 247.342 1.122 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1 ZINC000089857877 538584256 /nfs/dbraw/zinc/58/42/56/538584256.db2.gz HUCCLJWMKGZRPS-HUUCEWRRSA-N 1 0 240.306 1.830 50 0 BDAARO C[NH+](C)[C@H]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000093994611 538599805 /nfs/dbraw/zinc/59/98/05/538599805.db2.gz RUJOHXKPEJGOIF-UWVGGRQHSA-N 1 0 222.288 1.492 50 0 BDAARO Cc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1C ZINC000049647804 357334648 /nfs/dbraw/zinc/33/46/48/357334648.db2.gz GGXJUXAAMOAVPF-LLVKDONJSA-N 1 0 204.273 1.367 50 0 BDAARO Cc1ccc2cc(C[NH3+])c(=O)[nH]c2c1C ZINC000011980191 357466679 /nfs/dbraw/zinc/46/66/79/357466679.db2.gz SJWNDVZZYATSPU-UHFFFAOYSA-N 1 0 202.257 1.604 50 0 BDAARO NC(=O)c1cc([C@H]2CCC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072361342 181291857 /nfs/dbraw/zinc/29/18/57/181291857.db2.gz NSAVAZHTCLDBNC-JTQLQIEISA-N 1 0 248.330 1.098 50 0 BDAARO CNC(=O)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000335793917 358223797 /nfs/dbraw/zinc/22/37/97/358223797.db2.gz GOMTXNGURITLEG-UHFFFAOYSA-N 1 0 220.263 1.242 50 0 BDAARO C[C@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000071857185 359082044 /nfs/dbraw/zinc/08/20/44/359082044.db2.gz UESMMMJEPNKSFB-CMPLNLGQSA-N 1 0 239.363 1.521 50 0 BDAARO Cc1ccc(C[N@@H+](C)[C@H](C)C(N)=O)cc1 ZINC000006981049 361166730 /nfs/dbraw/zinc/16/67/30/361166730.db2.gz YJPDHEDHPPDIBU-SNVBAGLBSA-N 1 0 206.289 1.301 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CC1(C)C ZINC000426511690 200990938 /nfs/dbraw/zinc/99/09/38/200990938.db2.gz NYSULZLLPVPZLJ-LLVKDONJSA-N 1 0 247.342 1.386 50 0 BDAARO Cc1ncccc1C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000170087183 361390105 /nfs/dbraw/zinc/39/01/05/361390105.db2.gz NSVWBVMSEPWJIW-LLVKDONJSA-N 1 0 235.331 1.380 50 0 BDAARO COCCCC[NH2+][C@H]1CCc2nc(C)cn2C1 ZINC000170089056 361390847 /nfs/dbraw/zinc/39/08/47/361390847.db2.gz WBIOMKXTSKOHPQ-LBPRGKRZSA-N 1 0 237.347 1.523 50 0 BDAARO [NH3+]C12CC(NC(=O)OCc3ccccc3)(C1)CC2 ZINC000071373478 181336295 /nfs/dbraw/zinc/33/62/95/181336295.db2.gz MDCFKGUNYKIYRE-UHFFFAOYSA-N 1 0 246.310 1.937 50 0 BDAARO [NH2+]=C1NC(Nc2ccccc2)=NC2(CCCC2)N1 ZINC000005741096 181337605 /nfs/dbraw/zinc/33/76/05/181337605.db2.gz GALPIDQVWMEDBO-UHFFFAOYSA-N 1 0 243.314 1.643 50 0 BDAARO Cn1c(N)[nH+]c2cc(Br)ccc21 ZINC000032500747 363837667 /nfs/dbraw/zinc/83/76/67/363837667.db2.gz AAXWQLLNLMEEQX-UHFFFAOYSA-N 1 0 226.077 1.918 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(Br)cc1F ZINC000019093030 181355904 /nfs/dbraw/zinc/35/59/04/181355904.db2.gz WVYGKIWIPJOTKI-UHFFFAOYSA-N 1 0 247.067 1.485 50 0 BDAARO COCC[N@H+](C)[C@H]1CCC[C@H]1SC ZINC000252670791 364784742 /nfs/dbraw/zinc/78/47/42/364784742.db2.gz LSAVTPCOLLMQLE-VHSXEESVSA-N 1 0 203.351 1.849 50 0 BDAARO [NH3+]CCCCCNS(=O)(=O)c1ccccc1 ZINC000034246019 181375423 /nfs/dbraw/zinc/37/54/23/181375423.db2.gz SZIRVKYLVAFWKO-UHFFFAOYSA-N 1 0 242.344 1.094 50 0 BDAARO [NH3+]CCCN(Cc1ccco1)C[C@H]1CCCO1 ZINC000045796284 181379192 /nfs/dbraw/zinc/37/91/92/181379192.db2.gz OZKPEICSLPFZDA-CYBMUJFWSA-N 1 0 238.331 1.609 50 0 BDAARO [NH3+]CCCOCCOCc1ccccc1 ZINC000095347764 181382936 /nfs/dbraw/zinc/38/29/36/181382936.db2.gz HVYOWVSQBQKPSQ-UHFFFAOYSA-N 1 0 209.289 1.569 50 0 BDAARO [NH3+]CCNC(=O)c1cc(Cl)ccc1Cl ZINC000019394608 181395330 /nfs/dbraw/zinc/39/53/30/181395330.db2.gz ADVAGMLNPGRURC-UHFFFAOYSA-N 1 0 233.098 1.682 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1ccccn1 ZINC000131195087 181427748 /nfs/dbraw/zinc/42/77/48/181427748.db2.gz YPGGRBPHJCDERC-ZDUSSCGKSA-N 1 0 247.342 1.354 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC(C)(C)C1 ZINC000138176292 541495725 /nfs/dbraw/zinc/49/57/25/541495725.db2.gz QUTRKKUYVZIMQK-VIFPVBQESA-N 1 0 228.336 1.899 50 0 BDAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccncc1 ZINC000051188154 541513728 /nfs/dbraw/zinc/51/37/28/541513728.db2.gz HUCCLJWMKGZRPS-LSDHHAIUSA-N 1 0 240.306 1.830 50 0 BDAARO Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040599 368047303 /nfs/dbraw/zinc/04/73/03/368047303.db2.gz LYEDXGNBAGQCRO-UHFFFAOYSA-N 1 0 204.317 1.837 50 0 BDAARO CSc1nnc(CCCCC[NH3+])o1 ZINC000002246082 368139091 /nfs/dbraw/zinc/13/90/91/368139091.db2.gz NBONFJYUMBNCKJ-UHFFFAOYSA-N 1 0 201.295 1.463 50 0 BDAARO CCCCCOC[C@H](O)C[NH+](CC)CC ZINC000002272283 368275474 /nfs/dbraw/zinc/27/54/74/368275474.db2.gz NAYMGHQCPGHYLV-GFCCVEGCSA-N 1 0 217.353 1.896 50 0 BDAARO C[C@H]1[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000107155223 259534817 /nfs/dbraw/zinc/53/48/17/259534817.db2.gz ZEGUGBZHMDGDJD-DTWKUNHWSA-N 1 0 214.309 1.591 50 0 BDAARO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000253369672 368939795 /nfs/dbraw/zinc/93/97/95/368939795.db2.gz GNWSGTHKHNIYGI-GWOFURMSSA-N 1 0 212.337 1.535 50 0 BDAARO C[NH+](C)C[C@@H](O)CNc1nccc2ccccc21 ZINC000584887159 369035664 /nfs/dbraw/zinc/03/56/64/369035664.db2.gz BTPAFSDHJHEUQC-LBPRGKRZSA-N 1 0 245.326 1.569 50 0 BDAARO CCOCCC(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000584893960 369040911 /nfs/dbraw/zinc/04/09/11/369040911.db2.gz OTVKPHZEQMHXRH-UHFFFAOYSA-N 1 0 242.363 1.404 50 0 BDAARO [NH3+]C[C@H]1Cc2cccc(-c3cnccn3)c2O1 ZINC000299756454 181468272 /nfs/dbraw/zinc/46/82/72/181468272.db2.gz FGJPDMKCQAVDFN-SNVBAGLBSA-N 1 0 227.267 1.406 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000021968526 181489645 /nfs/dbraw/zinc/48/96/45/181489645.db2.gz ZDQKSHMCSXATDY-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO [NH3+][C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 ZINC000038049300 181641879 /nfs/dbraw/zinc/64/18/79/181641879.db2.gz JKOVUMMVGKYPBP-NWDGAFQWSA-N 1 0 236.290 1.825 50 0 BDAARO CC1(C)CN(Cc2cncc(F)c2)C[C@H]1O ZINC000280377404 371318478 /nfs/dbraw/zinc/31/84/78/371318478.db2.gz FAJSVWVWCLURTE-LLVKDONJSA-N 1 0 224.279 1.423 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000041028249 181644303 /nfs/dbraw/zinc/64/43/03/181644303.db2.gz VKWAJRLPBAWEDZ-VIFPVBQESA-N 1 0 240.253 1.528 50 0 BDAARO CC[NH+](CC)CCCOc1cc(NC)ncn1 ZINC000096026652 371381474 /nfs/dbraw/zinc/38/14/74/371381474.db2.gz COOSIHKDIVECIN-UHFFFAOYSA-N 1 0 238.335 1.629 50 0 BDAARO COC(=O)[C@@H]1CCN(Cc2cncnc2)C[C@@H]1C ZINC000225603274 371559973 /nfs/dbraw/zinc/55/99/73/371559973.db2.gz FZEFCUJRIJPWIC-CMPLNLGQSA-N 1 0 249.314 1.108 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C\c2ccccc2F)CC[NH2+]1 ZINC000606441562 372102061 /nfs/dbraw/zinc/10/20/61/372102061.db2.gz MBRLGHXUKIQROR-JMEBYUIHSA-N 1 0 248.301 1.659 50 0 BDAARO O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000037566082 182230262 /nfs/dbraw/zinc/23/02/62/182230262.db2.gz SWNAVRLADYNPTB-JSGCOSHPSA-N 1 0 244.338 1.585 50 0 BDAARO O=C(NCc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000019411440 182257341 /nfs/dbraw/zinc/25/73/41/182257341.db2.gz RUIZRCVLYKKMLD-GFCCVEGCSA-N 1 0 218.300 1.445 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CC[NH2+][C@H](C)C1 ZINC000179179208 206010856 /nfs/dbraw/zinc/01/08/56/206010856.db2.gz RUGQYRJXOLOQBX-SBDDDAINSA-N 1 0 244.338 1.829 50 0 BDAARO O=C(NCc1ccsc1)[C@@H]1CCCC[NH2+]1 ZINC000004389268 182268167 /nfs/dbraw/zinc/26/81/67/182268167.db2.gz FSUJOWSGOGJOKT-JTQLQIEISA-N 1 0 224.329 1.506 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000040434227 182294898 /nfs/dbraw/zinc/29/48/98/182294898.db2.gz BVWAQLVGMUMDIZ-SECBINFHSA-N 1 0 210.302 1.230 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1coc2ccccc12 ZINC000070391937 182295525 /nfs/dbraw/zinc/29/55/25/182295525.db2.gz OQZHAZIYCOTUPQ-SNVBAGLBSA-N 1 0 244.294 1.915 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000044679237 182301495 /nfs/dbraw/zinc/30/14/95/182301495.db2.gz SQRBRQZQCMXFQG-SNVBAGLBSA-N 1 0 246.310 1.359 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccoc1 ZINC000046996957 182301645 /nfs/dbraw/zinc/30/16/45/182301645.db2.gz SUTDZVVGZFTBBD-VXGBXAGGSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccco1 ZINC000222620680 182303035 /nfs/dbraw/zinc/30/30/35/182303035.db2.gz FOXWULJUWSIXDG-MNOVXSKESA-N 1 0 234.299 1.636 50 0 BDAARO O=C(Nc1ccc(Cl)cn1)C1CC[NH2+]CC1 ZINC000034939012 182354132 /nfs/dbraw/zinc/35/41/32/182354132.db2.gz RWJYSHLLQXAZJX-UHFFFAOYSA-N 1 0 239.706 1.673 50 0 BDAARO O=C(Nc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000037040459 182359699 /nfs/dbraw/zinc/35/96/99/182359699.db2.gz LVGLKNIPHOHFST-UHFFFAOYSA-N 1 0 220.272 1.330 50 0 BDAARO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000037045094 182364213 /nfs/dbraw/zinc/36/42/13/182364213.db2.gz KPKWINPWAWXHOU-LBPRGKRZSA-N 1 0 246.310 1.702 50 0 BDAARO O=C(Nc1ccccc1O)C1CC[NH2+]CC1 ZINC000004218722 182380835 /nfs/dbraw/zinc/38/08/35/182380835.db2.gz UDJHELFEUYWSPI-UHFFFAOYSA-N 1 0 220.272 1.330 50 0 BDAARO O=C(OC1CC[NH2+]CC1)c1ccccc1 ZINC000039224334 182600831 /nfs/dbraw/zinc/60/08/31/182600831.db2.gz YNHMMVMSCFNCJS-UHFFFAOYSA-N 1 0 205.257 1.595 50 0 BDAARO OC1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000300817516 183028600 /nfs/dbraw/zinc/02/86/00/183028600.db2.gz FYVHQKYYAMHYED-VIFPVBQESA-N 1 0 219.275 1.879 50 0 BDAARO OC1(C[NH2+]Cc2cccc3c2OCO3)CCCC1 ZINC000096479241 183020420 /nfs/dbraw/zinc/02/04/20/183020420.db2.gz CQPRRYPPIGXRNX-UHFFFAOYSA-N 1 0 249.310 1.810 50 0 BDAARO OCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004661434 183057825 /nfs/dbraw/zinc/05/78/25/183057825.db2.gz SSRIXWYBKABTAQ-UHFFFAOYSA-N 1 0 209.333 1.927 50 0 BDAARO OCC[C@@H]1C[NH2+]CCN1CCCc1ccccc1 ZINC000066323401 183095992 /nfs/dbraw/zinc/09/59/92/183095992.db2.gz BFYOKHQZIUOVLS-OAHLLOKOSA-N 1 0 248.370 1.275 50 0 BDAARO OC[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccon1 ZINC000097101701 183115899 /nfs/dbraw/zinc/11/58/99/183115899.db2.gz YYTXOHFZKQRKHI-JQWIXIFHSA-N 1 0 224.304 1.705 50 0 BDAARO OC[C@@]1(Cc2ccccc2)CCC[NH2+]C1 ZINC000067946958 183133558 /nfs/dbraw/zinc/13/35/58/183133558.db2.gz QFOBMHWTGVMOKP-CYBMUJFWSA-N 1 0 205.301 1.591 50 0 BDAARO OC[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccccc1 ZINC000038363932 183126936 /nfs/dbraw/zinc/12/69/36/183126936.db2.gz KDHJNPHFSBLEMM-BETUJISGSA-N 1 0 221.300 1.004 50 0 BDAARO O[C@@H](C[NH2+]CC1CC1)COc1ccccc1 ZINC000037873325 183178901 /nfs/dbraw/zinc/17/89/01/183178901.db2.gz KXCFUPVYSVCNHB-LBPRGKRZSA-N 1 0 221.300 1.426 50 0 BDAARO O[C@@H](C[NH2+]C1CCOCC1)c1ccc(F)cc1 ZINC000037893088 183178915 /nfs/dbraw/zinc/17/89/15/183178915.db2.gz AFJKLPCJZVQQQP-ZDUSSCGKSA-N 1 0 239.290 1.628 50 0 BDAARO O[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000071773111 183182995 /nfs/dbraw/zinc/18/29/95/183182995.db2.gz RHSXYHWOLKLWNJ-ZDUSSCGKSA-N 1 0 205.301 1.686 50 0 BDAARO O[C@@H](C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000074941925 183183237 /nfs/dbraw/zinc/18/32/37/183183237.db2.gz VVTOKYYKQAEMMG-BDAKNGLRSA-N 1 0 213.302 1.160 50 0 BDAARO O[C@@H](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000019088768 183174434 /nfs/dbraw/zinc/17/44/34/183174434.db2.gz KSJVCEXVUFHCQZ-AWEZNQCLSA-N 1 0 219.328 1.980 50 0 BDAARO CCCN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881449 169059814 /nfs/dbraw/zinc/05/98/14/169059814.db2.gz DVXZJYCSMRDNPE-CYBMUJFWSA-N 1 0 220.316 1.729 50 0 BDAARO O[C@H](C[NH2+][C@@H]1CCCSC1)c1ccncc1 ZINC000134815781 183225070 /nfs/dbraw/zinc/22/50/70/183225070.db2.gz BWPGBXWKTWWLHR-VXGBXAGGSA-N 1 0 238.356 1.600 50 0 BDAARO O[C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000071773112 183227709 /nfs/dbraw/zinc/22/77/09/183227709.db2.gz RHSXYHWOLKLWNJ-CYBMUJFWSA-N 1 0 205.301 1.686 50 0 BDAARO CCC[N@H+](CC)CCNC(=O)NC1CC=CC1 ZINC000095414032 169120716 /nfs/dbraw/zinc/12/07/16/169120716.db2.gz WDAREJDZEFDSRG-UHFFFAOYSA-N 1 0 239.363 1.736 50 0 BDAARO CCCN(CCC)C(=O)[C@@H]([NH3+])C(C)C ZINC000011959124 169142702 /nfs/dbraw/zinc/14/27/02/169142702.db2.gz IHZRVAGMJMTQML-JTQLQIEISA-N 1 0 200.326 1.618 50 0 BDAARO CCC[N@H+](CCO)CC(=O)N1CCCC[C@H]1C ZINC000049825524 169165671 /nfs/dbraw/zinc/16/56/71/169165671.db2.gz CYXYOBJERMKJBT-GFCCVEGCSA-N 1 0 242.363 1.092 50 0 BDAARO c1c2c(cc3c1OCCO3)C[NH2+]CCC2 ZINC000057938250 183321653 /nfs/dbraw/zinc/32/16/53/183321653.db2.gz HJCWXCCJUZUTOA-UHFFFAOYSA-N 1 0 205.257 1.494 50 0 BDAARO CCC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC000016604880 169188944 /nfs/dbraw/zinc/18/89/44/169188944.db2.gz URUADIONNZOMFT-UHFFFAOYSA-N 1 0 247.342 1.686 50 0 BDAARO c1cc(-c2nc(C[C@@H]3CC[NH2+]C3)no2)ccn1 ZINC000083327441 183330812 /nfs/dbraw/zinc/33/08/12/183330812.db2.gz SYSWDLXTTZXWTK-VIFPVBQESA-N 1 0 230.271 1.284 50 0 BDAARO c1cc(CN(CC2CC2)C2C[NH2+]C2)ccn1 ZINC000169676322 183338693 /nfs/dbraw/zinc/33/86/93/183338693.db2.gz MTHGSDUVYPCJKX-UHFFFAOYSA-N 1 0 217.316 1.265 50 0 BDAARO CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1SC ZINC000245289614 169218779 /nfs/dbraw/zinc/21/87/79/169218779.db2.gz DAYPNXYGRUUPEJ-GHMZBOCLSA-N 1 0 244.404 1.729 50 0 BDAARO CCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055278681 169243459 /nfs/dbraw/zinc/24/34/59/169243459.db2.gz GURZATZWEMIWEC-NSHDSACASA-N 1 0 206.289 1.083 50 0 BDAARO c1c(-c2ccccc2)nnn1[C@@H]1CC[NH2+]C1 ZINC000096034682 183380953 /nfs/dbraw/zinc/38/09/53/183380953.db2.gz YHOATTPSCULFAH-LLVKDONJSA-N 1 0 214.272 1.480 50 0 BDAARO c1ccc(-c2n[nH]c(C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000089717408 183381648 /nfs/dbraw/zinc/38/16/48/183381648.db2.gz BUALELCNKQLAHU-SNVBAGLBSA-N 1 0 228.299 1.624 50 0 BDAARO CCCOc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000035148814 169318831 /nfs/dbraw/zinc/31/88/31/169318831.db2.gz NAGRBZXDQGPRAG-SNVBAGLBSA-N 1 0 236.315 1.439 50 0 BDAARO c1ccc2nc(CN3CC[NH2+]CC3)cnc2c1 ZINC000022028523 183458771 /nfs/dbraw/zinc/45/87/71/183458771.db2.gz YDCFXMFEDDWCNG-UHFFFAOYSA-N 1 0 228.299 1.035 50 0 BDAARO CCCSC1=NN/C(=C2\C=CC=[NH+]2)O1 ZINC000009607539 169334842 /nfs/dbraw/zinc/33/48/42/169334842.db2.gz LWTOZVGUNRBKEW-FPLPWBNLSA-N 1 0 209.274 1.830 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(O)(CC[NH3+])CC1 ZINC000040448702 166646913 /nfs/dbraw/zinc/64/69/13/166646913.db2.gz UYDYNQSSAMMVRM-UHFFFAOYSA-N 1 0 244.335 1.097 50 0 BDAARO C/C=C\CCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000098056158 383844234 /nfs/dbraw/zinc/84/42/34/383844234.db2.gz LHOHNIWHPJIGKD-KTLBGCOUSA-N 1 0 239.363 1.736 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000000294261 383851877 /nfs/dbraw/zinc/85/18/77/383851877.db2.gz HTVSIOIPGZGDQI-SNVBAGLBSA-N 1 0 209.289 1.820 50 0 BDAARO [NH3+]CCc1ccc(Br)cc1 ZINC000000406936 383865901 /nfs/dbraw/zinc/86/59/01/383865901.db2.gz ZSZCXAOQVBEPME-UHFFFAOYSA-N 1 0 200.079 1.950 50 0 in-vitro BDAARO C[C@H](NC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000035689657 383869014 /nfs/dbraw/zinc/86/90/14/383869014.db2.gz KREFOLREHRBMLM-VIFPVBQESA-N 1 0 228.336 1.899 50 0 BDAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ncc[nH]1 ZINC000066593903 383872662 /nfs/dbraw/zinc/87/26/62/383872662.db2.gz BHCCZSRGCUXGPF-JTQLQIEISA-N 1 0 231.299 1.836 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1cc(OC)ccc1OC ZINC000000545320 383874789 /nfs/dbraw/zinc/87/47/89/383874789.db2.gz YZYGEXLUWNYNCY-LLVKDONJSA-N 1 0 239.315 1.564 50 0 BDAARO COC[C@H](O)CCNc1cccc(C)[nH+]1 ZINC000158289222 383833491 /nfs/dbraw/zinc/83/34/91/383833491.db2.gz DQUVJVJXNZSIHV-SNVBAGLBSA-N 1 0 210.277 1.199 50 0 BDAARO C[NH+](C)[C@@H](CNc1ccccn1)C1CC1 ZINC000091481833 383918899 /nfs/dbraw/zinc/91/88/99/383918899.db2.gz FMDGFXAHHABCQX-NSHDSACASA-N 1 0 205.305 1.834 50 0 BDAARO c1nc2ccccc2n1C1CC[NH2+]CC1 ZINC000002577368 383979211 /nfs/dbraw/zinc/97/92/11/383979211.db2.gz QYCKVZZMAXDBHQ-UHFFFAOYSA-N 1 0 201.273 1.961 50 0 BDAARO CCOc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000050246096 383986397 /nfs/dbraw/zinc/98/63/97/383986397.db2.gz KLJYPIDPNZDXLL-LLVKDONJSA-N 1 0 248.326 1.506 50 0 BDAARO CC1(C)CC2(CC(C)(C)[NH2+]1)OC[C@@H](CO)O2 ZINC000003199684 384002464 /nfs/dbraw/zinc/00/24/64/384002464.db2.gz MWQYHQBSFLBACS-SECBINFHSA-N 1 0 229.320 1.031 50 0 BDAARO C[C@H](C[NH3+])N(C)C(=O)CCC(F)(F)F ZINC000158431544 383952075 /nfs/dbraw/zinc/95/20/75/383952075.db2.gz YVAAESOQHXRUBU-ZCFIWIBFSA-N 1 0 212.215 1.135 50 0 BDAARO c1ccc2c(c1)CCN([C@H]1CCC[NH2+]C1)C2 ZINC000037246755 383964795 /nfs/dbraw/zinc/96/47/95/383964795.db2.gz JITYCRYXIKJRBA-AWEZNQCLSA-N 1 0 216.328 1.797 50 0 BDAARO C[C@@H]1C[C@@]2(O)c3ccccc3N(C)[C@@H]2[NH2+]1 ZINC000071773159 384001229 /nfs/dbraw/zinc/00/12/29/384001229.db2.gz BCXMVWNDJBSFKC-JFUSQASVSA-N 1 0 204.273 1.032 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004290949 384054926 /nfs/dbraw/zinc/05/49/26/384054926.db2.gz BAGYVQMSXHKUFC-SNVBAGLBSA-N 1 0 223.272 1.276 50 0 BDAARO c1ccc2c(c1)nnn2C1CC[NH2+]CC1 ZINC000004293803 384055280 /nfs/dbraw/zinc/05/52/80/384055280.db2.gz SIAVYRCOEMDHCU-UHFFFAOYSA-N 1 0 202.261 1.356 50 0 BDAARO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000069814871 384065626 /nfs/dbraw/zinc/06/56/26/384065626.db2.gz PSGAHSBNYBHBII-YPMHNXCESA-N 1 0 220.316 1.817 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000255299401 384069640 /nfs/dbraw/zinc/06/96/40/384069640.db2.gz GUHDTDOVVAUIHT-WBTMPAOCSA-N 1 0 244.338 1.829 50 0 BDAARO CN(Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC000039141097 384109782 /nfs/dbraw/zinc/10/97/82/384109782.db2.gz MIFUGVARDDDKRU-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(CC[C@@H]2[NH3+])C1 ZINC000091305056 384117671 /nfs/dbraw/zinc/11/76/71/384117671.db2.gz UXISSJKZFYQLHL-QMMMGPOBSA-N 1 0 212.293 1.345 50 0 BDAARO O=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000005013922 384094137 /nfs/dbraw/zinc/09/41/37/384094137.db2.gz BBPDRNOYMGEXQX-UHFFFAOYSA-N 1 0 219.284 1.974 50 0 BDAARO FC1(F)CC[NH2+]C[C@H]1COCC1CC1 ZINC000257194898 384137972 /nfs/dbraw/zinc/13/79/72/384137972.db2.gz UXBNYODPOXNBKN-VIFPVBQESA-N 1 0 205.248 1.658 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000255387392 384154675 /nfs/dbraw/zinc/15/46/75/384154675.db2.gz BVGJUCLXSBTMBQ-FMFIFOJESA-N 1 0 230.311 1.568 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH3+])C1 ZINC000091691276 384139003 /nfs/dbraw/zinc/13/90/03/384139003.db2.gz OTKNVRVCUGATSZ-GFCCVEGCSA-N 1 0 228.336 1.982 50 0 BDAARO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000071909441 384161165 /nfs/dbraw/zinc/16/11/65/384161165.db2.gz FAWPDEGHSRIFNV-MNOVXSKESA-N 1 0 209.289 1.733 50 0 BDAARO Cc1noc(C)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000006725775 384165135 /nfs/dbraw/zinc/16/51/35/384165135.db2.gz PSOUWTVLZKPEQY-UHFFFAOYSA-N 1 0 237.303 1.069 50 0 BDAARO Cc1cc(C)c2oc(=O)cc(C[NH3+])c2c1 ZINC000041248423 384184857 /nfs/dbraw/zinc/18/48/57/384184857.db2.gz GVNMDADSQXGDQN-UHFFFAOYSA-N 1 0 203.241 1.869 50 0 BDAARO Cc1ccc(C2=NOC3(CC[NH2+]CC3)N2)cc1 ZINC000072226819 384202515 /nfs/dbraw/zinc/20/25/15/384202515.db2.gz FVMQNILJYQTAEF-UHFFFAOYSA-N 1 0 231.299 1.356 50 0 BDAARO O=C1Nc2ccccc2C2(CC[NH2+]CC2)N1 ZINC000072338614 384207610 /nfs/dbraw/zinc/20/76/10/384207610.db2.gz CFLDCJYCZAHJCK-UHFFFAOYSA-N 1 0 217.272 1.400 50 0 BDAARO CC[C@@H](C[NH+](C)C)Nc1cc(C)nc2ccnn21 ZINC000072463454 384224345 /nfs/dbraw/zinc/22/43/45/384224345.db2.gz INCPCYNQGRUPAQ-NSHDSACASA-N 1 0 247.346 1.790 50 0 BDAARO c1ccc(OCCOC[C@H]2CC[NH2+]C2)cc1 ZINC000042771589 384243464 /nfs/dbraw/zinc/24/34/64/384243464.db2.gz IOOPBHSXPALJNZ-LBPRGKRZSA-N 1 0 221.300 1.692 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1F ZINC000117531851 384243823 /nfs/dbraw/zinc/24/38/23/384243823.db2.gz OIUJTHGEWAFCET-VHSXEESVSA-N 1 0 241.237 1.441 50 0 BDAARO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccoc1 ZINC000132989269 384267210 /nfs/dbraw/zinc/26/72/10/384267210.db2.gz ZWQDNLWPEWWBRN-NSHDSACASA-N 1 0 224.304 1.725 50 0 BDAARO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000000212804 384268814 /nfs/dbraw/zinc/26/88/14/384268814.db2.gz GGOPGTUMPPQSLE-CYBMUJFWSA-N 1 0 205.301 1.870 50 0 BDAARO COC(=O)c1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC000042782957 384242356 /nfs/dbraw/zinc/24/23/56/384242356.db2.gz RRKRINJSIUHTLK-LBPRGKRZSA-N 1 0 235.283 1.352 50 0 BDAARO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000158058483 384311831 /nfs/dbraw/zinc/31/18/31/384311831.db2.gz ORYFOXLVSFKUEC-GMSGAONNSA-N 1 0 236.319 1.037 50 0 BDAARO Cc1nnc(SC[C@H]2CCC[NH2+]C2)s1 ZINC000043471780 384279420 /nfs/dbraw/zinc/27/94/20/384279420.db2.gz PKKZEGKPROCHTQ-QMMMGPOBSA-N 1 0 229.374 1.938 50 0 BDAARO C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C[NH3+])C1 ZINC000237578509 384298144 /nfs/dbraw/zinc/29/81/44/384298144.db2.gz ZJTOIHUYCZTUFV-SKDRFNHKSA-N 1 0 236.290 1.694 50 0 BDAARO [NH3+]C[C@@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000011920031 384300540 /nfs/dbraw/zinc/30/05/40/384300540.db2.gz JURKKEXQAAFGFT-SECBINFHSA-N 1 0 210.208 1.110 50 0 BDAARO COC(=O)[C@@H](C)SCC[C@H]1CCC[N@@H+]1C ZINC000097102255 384360023 /nfs/dbraw/zinc/36/00/23/384360023.db2.gz FYZRCKFLMSGIGQ-NXEZZACHSA-N 1 0 231.361 1.765 50 0 BDAARO Cn1cccc1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000095409668 384374463 /nfs/dbraw/zinc/37/44/63/384374463.db2.gz NHUWSKOLNMMLEN-CABCVRRESA-N 1 0 242.322 1.773 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000095347348 384368302 /nfs/dbraw/zinc/36/83/02/384368302.db2.gz PTEMBSJXQINEPT-BDAKNGLRSA-N 1 0 201.216 1.182 50 0 BDAARO CCCC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000013683197 384369826 /nfs/dbraw/zinc/36/98/26/384369826.db2.gz HQSGFHJVZVPXOB-UHFFFAOYSA-N 1 0 231.299 1.813 50 0 BDAARO Cc1ccnc(N(C)C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000095384941 384372245 /nfs/dbraw/zinc/37/22/45/384372245.db2.gz OUNAHKMRZFRKQE-ZDUSSCGKSA-N 1 0 248.374 1.952 50 0 BDAARO O=C1CSc2ccccc2N1C[C@H]1CC[NH2+]C1 ZINC000095388236 384373015 /nfs/dbraw/zinc/37/30/15/384373015.db2.gz XJEJDMAHHPSKOK-JTQLQIEISA-N 1 0 248.351 1.735 50 0 BDAARO C[NH+](C)CCNC(=O)c1cc2ccccc2[nH]1 ZINC000012653907 384331116 /nfs/dbraw/zinc/33/11/16/384331116.db2.gz ZXPZLZYAXQVLSK-UHFFFAOYSA-N 1 0 231.299 1.459 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCO[C@H]1C ZINC000328619539 384331855 /nfs/dbraw/zinc/33/18/55/384331855.db2.gz FZZIJTJTVQLPQX-UMSGYPCISA-N 1 0 227.348 1.815 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC ZINC000095743334 384392450 /nfs/dbraw/zinc/39/24/50/384392450.db2.gz HOLKRUPPRSGRHS-VHSXEESVSA-N 1 0 244.335 1.230 50 0 BDAARO Cc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000005023108 384392827 /nfs/dbraw/zinc/39/28/27/384392827.db2.gz QHMFTZKRMSJNFO-NSHDSACASA-N 1 0 209.289 1.296 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000095742967 384393085 /nfs/dbraw/zinc/39/30/85/384393085.db2.gz LMCOQMMIAHCCFN-YUMQZZPRSA-N 1 0 214.309 1.637 50 0 BDAARO C[NH+](C)CCOc1ccc(Cl)cc1N ZINC000014629320 384396428 /nfs/dbraw/zinc/39/64/28/384396428.db2.gz OQTYBJCISJYPPM-UHFFFAOYSA-N 1 0 214.696 1.863 50 0 BDAARO COc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000014632423 384398985 /nfs/dbraw/zinc/39/89/85/384398985.db2.gz RYMNYILARRKHOM-SNVBAGLBSA-N 1 0 207.273 1.684 50 0 BDAARO COC(=O)CCSC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908605 384408417 /nfs/dbraw/zinc/40/84/17/384408417.db2.gz MUVRTWGLZAMBOF-ULKQDVFKSA-N 1 0 229.345 1.566 50 0 BDAARO CC[NH+](CC)CCNc1ncnc2c1CCC2 ZINC000061276554 384381427 /nfs/dbraw/zinc/38/14/27/384381427.db2.gz GIXLZJIBYBTLTI-UHFFFAOYSA-N 1 0 234.347 1.719 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC000095630144 384385316 /nfs/dbraw/zinc/38/53/16/384385316.db2.gz PHKRFWRGEVHCAT-HTQZYQBOSA-N 1 0 218.272 1.211 50 0 BDAARO CC(C)(C)OC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000095742636 384390621 /nfs/dbraw/zinc/39/06/21/384390621.db2.gz AFBJLLMPAKKANC-GFCCVEGCSA-N 1 0 228.336 1.901 50 0 BDAARO C[NH+](C)CCNC(=S)Nc1ccccc1 ZINC000016163134 384452673 /nfs/dbraw/zinc/45/26/73/384452673.db2.gz UTPHDUQSIDZRRH-UHFFFAOYSA-N 1 0 223.345 1.535 50 0 BDAARO CN(C[C@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000016124122 384454315 /nfs/dbraw/zinc/45/43/15/384454315.db2.gz HQZPRFQKDGVCLB-JTQLQIEISA-N 1 0 228.336 1.853 50 0 BDAARO [NH3+]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000019272595 384516262 /nfs/dbraw/zinc/51/62/62/384516262.db2.gz WSNSRJWLIVDXDI-LBPRGKRZSA-N 1 0 206.289 1.019 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CC1(C)C ZINC000238172109 384522513 /nfs/dbraw/zinc/52/25/13/384522513.db2.gz ZNZVGDHTHSVNLA-SECBINFHSA-N 1 0 228.336 1.757 50 0 BDAARO C[NH+]1CCC(C(=O)c2ccccn2)CC1 ZINC000137677446 384543598 /nfs/dbraw/zinc/54/35/98/384543598.db2.gz ZBDSRITXBDNYMT-UHFFFAOYSA-N 1 0 204.273 1.606 50 0 BDAARO c1ccc2c(c1)CCN(C[C@@H]1CCC[NH2+]1)C2 ZINC000019852656 384545470 /nfs/dbraw/zinc/54/54/70/384545470.db2.gz NWJDMSUBAMZDOC-AWEZNQCLSA-N 1 0 216.328 1.797 50 0 BDAARO COc1ccc(C[NH2+]CCN(C)C)c(OC)c1 ZINC000019831546 384540130 /nfs/dbraw/zinc/54/01/30/384540130.db2.gz RATBGSNYADQGNS-UHFFFAOYSA-N 1 0 238.331 1.355 50 0 BDAARO COc1cc(CN2CC[C@H]([NH3+])C2)cc(OC)c1 ZINC000050227741 384607904 /nfs/dbraw/zinc/60/79/04/384607904.db2.gz UHNGLBZXWIODDP-NSHDSACASA-N 1 0 236.315 1.237 50 0 BDAARO O=C(c1ccc(Cl)o1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000081213895 384609625 /nfs/dbraw/zinc/60/96/25/384609625.db2.gz GTUIQNHJSXQMKW-HTQZYQBOSA-N 1 0 240.690 1.224 50 0 in-man BDAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cnn(C)c1 ZINC000095448850 384618290 /nfs/dbraw/zinc/61/82/90/384618290.db2.gz GQFCMFZSXRZVGF-PWSUYJOCSA-N 1 0 249.314 1.615 50 0 BDAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ncc[nH]1 ZINC000095448848 384618614 /nfs/dbraw/zinc/61/86/14/384618614.db2.gz XUHKVBLMBKXSIK-NXEZZACHSA-N 1 0 235.287 1.605 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]Cc1scnc1C ZINC000097081568 384668305 /nfs/dbraw/zinc/66/83/05/384668305.db2.gz XSJUQVLPKRASIP-UHFFFAOYSA-N 1 0 242.344 1.740 50 0 BDAARO COc1ncc(Br)cc1C[NH3+] ZINC000051523637 384671124 /nfs/dbraw/zinc/67/11/24/384671124.db2.gz PKFXUPJXWBPWJR-UHFFFAOYSA-N 1 0 217.066 1.311 50 0 BDAARO CO[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000172980693 384641530 /nfs/dbraw/zinc/64/15/30/384641530.db2.gz WBCXWLNYFBCWHZ-GFCCVEGCSA-N 1 0 206.289 1.692 50 0 BDAARO Cc1cc(C)nc(S[C@@H]2CC[NH2+]C2)n1 ZINC000051784271 384686599 /nfs/dbraw/zinc/68/65/99/384686599.db2.gz GOMYRDMIZKCSMG-SECBINFHSA-N 1 0 209.318 1.547 50 0 BDAARO Cc1nnc(S[C@@H]2CC[NH2+]C2)s1 ZINC000051784136 384687781 /nfs/dbraw/zinc/68/77/81/384687781.db2.gz NESNCQCXICRNSV-ZCFIWIBFSA-N 1 0 201.320 1.301 50 0 BDAARO CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000051889950 384699426 /nfs/dbraw/zinc/69/94/26/384699426.db2.gz MTSQXKHRXWCBSI-GFCCVEGCSA-N 1 0 205.305 1.123 50 0 BDAARO CC(C)[C@H]1CC[C@H](C)CC[N@@H+]1CC(N)=O ZINC000071910203 384699580 /nfs/dbraw/zinc/69/95/80/384699580.db2.gz VKVMQLRLDFGMLU-WDEREUQCSA-N 1 0 212.337 1.618 50 0 BDAARO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(N)=O ZINC000076808331 384699605 /nfs/dbraw/zinc/69/96/05/384699605.db2.gz NKFVQCWJTUIPIY-KOLCDFICSA-N 1 0 236.290 1.489 50 0 BDAARO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc[nH]n1)C2 ZINC000097084967 384700534 /nfs/dbraw/zinc/70/05/34/384700534.db2.gz RGCFPWAAAUUQPS-GWCFXTLKSA-N 1 0 249.314 1.185 50 0 BDAARO CO[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077173968 384705049 /nfs/dbraw/zinc/70/50/49/384705049.db2.gz MVQACEXTIKPHTM-ZDUSSCGKSA-N 1 0 226.364 1.583 50 0 BDAARO CCC[C@@](C)(CO)[NH2+]Cc1cccn1C ZINC000078989845 384712840 /nfs/dbraw/zinc/71/28/40/384712840.db2.gz HXAGQHXFCHSFPE-LBPRGKRZSA-N 1 0 210.321 1.666 50 0 BDAARO [NH3+]C[C@@H]1CCCN(c2nc3ncccc3o2)C1 ZINC000022637919 384766687 /nfs/dbraw/zinc/76/66/87/384766687.db2.gz HTPJMLAFRPQOSJ-VIFPVBQESA-N 1 0 232.287 1.398 50 0 BDAARO CN(C(=O)c1ccc(N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205113 384772490 /nfs/dbraw/zinc/77/24/90/384772490.db2.gz GVMZVRSTIMEYRO-CYBMUJFWSA-N 1 0 247.342 1.435 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCCC2 ZINC000042477060 384815715 /nfs/dbraw/zinc/81/57/15/384815715.db2.gz GMBGTFDTDWCMBQ-ZCFIWIBFSA-N 1 0 225.317 1.308 50 0 BDAARO [NH3+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC000083985507 384825446 /nfs/dbraw/zinc/82/54/46/384825446.db2.gz VVIQPDGMXGRYBD-NSHDSACASA-N 1 0 204.273 1.136 50 0 BDAARO CCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055278677 384875740 /nfs/dbraw/zinc/87/57/40/384875740.db2.gz LBYVHWXCOKDORT-LBPRGKRZSA-N 1 0 220.316 1.473 50 0 BDAARO CC(C)(C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055368153 384882806 /nfs/dbraw/zinc/88/28/06/384882806.db2.gz SZCCPCJTQUARGS-NSHDSACASA-N 1 0 220.316 1.471 50 0 BDAARO c1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000084238000 384853345 /nfs/dbraw/zinc/85/33/45/384853345.db2.gz BLCVYHKAZCBAKF-STQMWFEESA-N 1 0 202.301 1.480 50 0 BDAARO Cc1ccc2c(c1)c(C)cc(=O)n2CCC[NH3+] ZINC000084784036 384899644 /nfs/dbraw/zinc/89/96/44/384899644.db2.gz BTEQYHNALMTHMH-UHFFFAOYSA-N 1 0 230.311 1.967 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C(F)(F)C1 ZINC000085210356 384927991 /nfs/dbraw/zinc/92/79/91/384927991.db2.gz APZOOTJWPGQYSZ-SSDOTTSWSA-N 1 0 236.262 1.590 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@H]1C(N)=[NH2+] ZINC000057217573 384931894 /nfs/dbraw/zinc/93/18/94/384931894.db2.gz PKSOIBWMODHYAE-QMMMGPOBSA-N 1 0 227.308 1.712 50 0 BDAARO CCn1c(=S)[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000057218746 384933047 /nfs/dbraw/zinc/93/30/47/384933047.db2.gz DPMVMRWIEOONNX-ZETCQYMHSA-N 1 0 212.322 1.428 50 0 BDAARO C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000188396407 384947846 /nfs/dbraw/zinc/94/78/46/384947846.db2.gz XVNZIVOEWAFDQZ-MNOVXSKESA-N 1 0 233.315 1.005 50 0 BDAARO CC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000058203133 384990514 /nfs/dbraw/zinc/99/05/14/384990514.db2.gz RPDOQDJYZDMFQF-SNVBAGLBSA-N 1 0 238.306 1.955 50 0 BDAARO C[NH+](C)CCNC(=O)c1cccc(F)c1 ZINC000004954749 385009072 /nfs/dbraw/zinc/00/90/72/385009072.db2.gz VJSKMJDNCBTKJL-UHFFFAOYSA-N 1 0 210.252 1.117 50 0 BDAARO COC(=O)C1C[NH+](Cc2ccccc2)C1 ZINC000059703323 385055032 /nfs/dbraw/zinc/05/50/32/385055032.db2.gz PUWRHWYGXKWOOK-UHFFFAOYSA-N 1 0 205.257 1.291 50 0 BDAARO CCCCCOc1ccnc(C(N)=[NH2+])c1 ZINC000061814608 385139501 /nfs/dbraw/zinc/13/95/01/385139501.db2.gz LDDQMXMHSQFIER-UHFFFAOYSA-N 1 0 207.277 1.935 50 0 BDAARO CC/C=C(\C)C(=O)NCC[N@H+](C)C(C)C ZINC000098055735 385085577 /nfs/dbraw/zinc/08/55/77/385085577.db2.gz DKDOGTZUGXLKDG-YRNVUSSQSA-N 1 0 212.337 1.799 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[NH2+]CC1 ZINC000062664107 385182064 /nfs/dbraw/zinc/18/20/64/385182064.db2.gz ZFFWLQAUFCFJCQ-UHFFFAOYSA-N 1 0 222.263 1.180 50 0 BDAARO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000269061111 385186324 /nfs/dbraw/zinc/18/63/24/385186324.db2.gz KHRRBQVDIKCTEE-YPMHNXCESA-N 1 0 232.327 1.425 50 0 BDAARO [NH3+][C@H]1CCOc2ccc(Cl)cc2[C@@H]1O ZINC000062571389 385175874 /nfs/dbraw/zinc/17/58/74/385175874.db2.gz JBXZVDCLOHBTJT-WPRPVWTQSA-N 1 0 213.664 1.483 50 0 BDAARO c1csc(-c2cc(N3CC[NH2+]CC3)n[nH]2)c1 ZINC000062669913 385180984 /nfs/dbraw/zinc/18/09/84/385180984.db2.gz BYTMZFOCYNGNCL-UHFFFAOYSA-N 1 0 234.328 1.548 50 0 BDAARO CC[C@@H]([NH2+]C(CO)CO)c1nc(C)c(C)s1 ZINC000065398888 385306491 /nfs/dbraw/zinc/30/64/91/385306491.db2.gz DFLAXTYUQPJCJT-SNVBAGLBSA-N 1 0 244.360 1.154 50 0 BDAARO Cc1ccc(NC(=O)C2([NH3+])CCC2)cn1 ZINC000164799970 385308693 /nfs/dbraw/zinc/30/86/93/385308693.db2.gz ILSQUYFUIHPHJV-UHFFFAOYSA-N 1 0 205.261 1.210 50 0 BDAARO CC[NH+](CC)CCC[C@H](C)n1cnnc1 ZINC000065532231 385323540 /nfs/dbraw/zinc/32/35/40/385323540.db2.gz YTKPMDJIRVIDPE-NSHDSACASA-N 1 0 210.325 1.961 50 0 BDAARO Cc1cnc(-c2cccnc2)n1[C@H]1CC[NH2+]C1 ZINC000169676826 385417105 /nfs/dbraw/zinc/41/71/05/385417105.db2.gz GPNHHRHPVHZIME-LBPRGKRZSA-N 1 0 228.299 1.788 50 0 BDAARO C[NH+](C)C1CCN(c2ccc(F)cn2)CC1 ZINC000169725461 385418086 /nfs/dbraw/zinc/41/80/86/385418086.db2.gz MWRAGDWSIMFBOG-UHFFFAOYSA-N 1 0 223.295 1.751 50 0 BDAARO CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1C[C@H]([NH3+])C2 ZINC000169804372 385421353 /nfs/dbraw/zinc/42/13/53/385421353.db2.gz PEAPNBGPRYMRNJ-OWUUHHOZSA-N 1 0 242.319 1.112 50 0 BDAARO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)o1 ZINC000065624877 385630228 /nfs/dbraw/zinc/63/02/28/385630228.db2.gz PCRRAPRIBRPMAF-LBPRGKRZSA-N 1 0 224.304 1.008 50 0 BDAARO CCc1ccc([C@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000019785044 385923731 /nfs/dbraw/zinc/92/37/31/385923731.db2.gz BWEYDUFUOYAFCR-OAHLLOKOSA-N 1 0 248.370 1.530 50 0 BDAARO CC[C@H]([NH2+]C(CO)CO)c1ccc(Cl)s1 ZINC000095968605 385881089 /nfs/dbraw/zinc/88/10/89/385881089.db2.gz WGYCUJNCLIYGIT-QMMMGPOBSA-N 1 0 249.763 1.795 50 0 BDAARO [NH3+][C@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000057955348 385944449 /nfs/dbraw/zinc/94/44/49/385944449.db2.gz ULWJUCOTGJFUJS-NSHDSACASA-N 1 0 238.718 1.442 50 0 BDAARO CSC[C@H](O)C[N@@H+]1C[C@@H](C)OCC1(C)C ZINC000221904870 386024735 /nfs/dbraw/zinc/02/47/35/386024735.db2.gz KCUQMDACPUMLBY-NXEZZACHSA-N 1 0 233.377 1.210 50 0 BDAARO c1ccc(C[C@H]2C[N@@H+]3CCC[C@@H]3CN2)cc1 ZINC000039326112 386152131 /nfs/dbraw/zinc/15/21/31/386152131.db2.gz FMZYVYGAYTZOHQ-UONOGXRCSA-N 1 0 216.328 1.665 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000261850901 386182670 /nfs/dbraw/zinc/18/26/70/386182670.db2.gz OTYMYAQDQPEUAZ-MBNYWOFBSA-N 1 0 246.354 1.813 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000133860745 386379319 /nfs/dbraw/zinc/37/93/19/386379319.db2.gz XTZVWFGYBHGYLT-LLVKDONJSA-N 1 0 235.331 1.456 50 0 BDAARO FC[C@H]1C[N@@H+](C2CCCC2)CCCO1 ZINC000334638478 386846745 /nfs/dbraw/zinc/84/67/45/386846745.db2.gz YPXADPFBBYDUBD-NSHDSACASA-N 1 0 201.285 1.989 50 0 BDAARO FC1(F)CC(C[N@@H+]2CCc3n[nH]cc3C2)C1 ZINC000294977793 387003134 /nfs/dbraw/zinc/00/31/34/387003134.db2.gz OVDKUGCZOMOZAP-UHFFFAOYSA-N 1 0 227.258 1.813 50 0 BDAARO CC(C)[C@](C)([NH2+]CC[C@H]1CCCO1)C(N)=O ZINC000304548470 387037250 /nfs/dbraw/zinc/03/72/50/387037250.db2.gz JSODGANNALHLEE-PWSUYJOCSA-N 1 0 228.336 1.045 50 0 BDAARO C[NH+](C)CCCNC(=O)c1ccccc1O ZINC000011639289 387043513 /nfs/dbraw/zinc/04/35/13/387043513.db2.gz CIPZJXQZNRTMOK-UHFFFAOYSA-N 1 0 222.288 1.074 50 0 BDAARO CCc1ccc(NC(=O)C2([NH3+])CC2)cc1F ZINC000336368573 387198299 /nfs/dbraw/zinc/19/82/99/387198299.db2.gz XDUWRXCYBKVJFB-UHFFFAOYSA-N 1 0 222.263 1.818 50 0 BDAARO CC(C)(C)OC[C@H]1C[N@@H+]2CCC[C@@H]2CN1 ZINC000072233342 387287824 /nfs/dbraw/zinc/28/78/24/387287824.db2.gz UFAIRFWDNNFWQI-GHMZBOCLSA-N 1 0 212.337 1.238 50 0 BDAARO CO[C@@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000336495786 387319947 /nfs/dbraw/zinc/31/99/47/387319947.db2.gz VTQJWDLOFMGFAL-SNVBAGLBSA-N 1 0 226.345 1.981 50 0 BDAARO CC(C)CC[NH2+][C@H]1CCCn2ncnc21 ZINC000191104827 387347278 /nfs/dbraw/zinc/34/72/78/387347278.db2.gz ZYOAMKSUPMAKGG-JTQLQIEISA-N 1 0 208.309 1.749 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@H]2CO)nc1 ZINC000092456079 387457198 /nfs/dbraw/zinc/45/71/98/387457198.db2.gz IRECUDGQYBCOJO-LBPRGKRZSA-N 1 0 206.289 1.347 50 0 BDAARO CC(C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000122681295 387475951 /nfs/dbraw/zinc/47/59/51/387475951.db2.gz SBXDPJKYBSPBHQ-JTQLQIEISA-N 1 0 200.326 1.474 50 0 BDAARO COc1cccc(CN2CC(n3ccnc3)C2)c1 ZINC000575550585 387654456 /nfs/dbraw/zinc/65/44/56/387654456.db2.gz WNCUINJAMMUTOS-UHFFFAOYSA-N 1 0 243.310 1.949 50 0 BDAARO C[NH+](C)CCCNC[C@@H]1OCCc2ccccc21 ZINC000001782880 387779158 /nfs/dbraw/zinc/77/91/58/387779158.db2.gz GKNOBYQJWCVNOG-HNNXBMFYSA-N 1 0 248.370 1.842 50 0 BDAARO Nc1nnc(CC[NH+]2CCCCCC2)s1 ZINC000036239388 387889324 /nfs/dbraw/zinc/88/93/24/387889324.db2.gz OEGGEMMVYGPUDV-UHFFFAOYSA-N 1 0 226.349 1.539 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)CCOc2ccccc2)C1 ZINC000050228845 387927252 /nfs/dbraw/zinc/92/72/52/387927252.db2.gz YMMIVGIWMBUHSI-LLVKDONJSA-N 1 0 234.299 1.015 50 0 BDAARO C[C@]1(Cc2ccc(O)cc2)[NH2+]CCc2nc[nH]c21 ZINC000065465807 387975195 /nfs/dbraw/zinc/97/51/95/387975195.db2.gz KBXPKWVWOSQYCH-CQSZACIVSA-N 1 0 243.310 1.719 50 0 BDAARO COC[C@H](C)[NH2+]CCNc1cc(C)ccn1 ZINC000065493091 388015445 /nfs/dbraw/zinc/01/54/45/388015445.db2.gz XTPUHUOZEAHESK-NSHDSACASA-N 1 0 223.320 1.426 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@H](C)Cn1cccn1 ZINC000065519743 388082223 /nfs/dbraw/zinc/08/22/23/388082223.db2.gz LZDMVNYOQVVNNR-JTQLQIEISA-N 1 0 233.319 1.341 50 0 BDAARO CC(C)C[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618709 388098814 /nfs/dbraw/zinc/09/88/14/388098814.db2.gz FKRKATBGXZXWFJ-ZYHUDNBSSA-N 1 0 212.337 1.679 50 0 BDAARO CC(C)C[C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618708 388099274 /nfs/dbraw/zinc/09/92/74/388099274.db2.gz FKRKATBGXZXWFJ-JQWIXIFHSA-N 1 0 212.337 1.679 50 0 BDAARO C[N@H+](CCN1CCOC1=O)Cc1ccccc1 ZINC000065606348 388137291 /nfs/dbraw/zinc/13/72/91/388137291.db2.gz UZPVRDWCSUUFHJ-UHFFFAOYSA-N 1 0 234.299 1.571 50 0 BDAARO CC(C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019900182 256522146 /nfs/dbraw/zinc/52/21/46/256522146.db2.gz LLHCLZMIMOEPFZ-UHFFFAOYSA-N 1 0 219.332 1.608 50 0 BDAARO CN(Cc1ccnc(N)c1)C[C@H](O)C(F)(F)F ZINC000193471312 388356426 /nfs/dbraw/zinc/35/64/26/388356426.db2.gz WCDRWKOZSNQQOR-QMMMGPOBSA-N 1 0 249.236 1.019 50 0 BDAARO CC[C@]1(C)CCC[N@H+](CCOCCO)C1 ZINC000075998414 388368642 /nfs/dbraw/zinc/36/86/42/388368642.db2.gz XIERLRGQUDGKFV-GFCCVEGCSA-N 1 0 215.337 1.507 50 0 BDAARO CC[C@H](Cc1ccccc1)[N@H+](C)CC(N)=O ZINC000076040469 388370152 /nfs/dbraw/zinc/37/01/52/388370152.db2.gz JJLWLDVOKZYMFP-GFCCVEGCSA-N 1 0 220.316 1.425 50 0 BDAARO CC[C@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000003314503 388372864 /nfs/dbraw/zinc/37/28/64/388372864.db2.gz CWDXTXNOEHVFCU-NEPJUHHUSA-N 1 0 209.289 1.081 50 0 BDAARO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1C[C@H]1C1CC1 ZINC000527710444 388399845 /nfs/dbraw/zinc/39/98/45/388399845.db2.gz BQVBZPJVKGBAAB-CYDRSHDDSA-N 1 0 239.359 1.551 50 0 BDAARO CCC[C@@](C)([NH3+])C(=O)Nc1cccnc1OC ZINC000037622355 388469132 /nfs/dbraw/zinc/46/91/32/388469132.db2.gz YTXLTLHWSFNPTG-GFCCVEGCSA-N 1 0 237.303 1.546 50 0 BDAARO C1[C@H](NC2=[NH+]CCCN2)[C@@H]1C1CCCCC1 ZINC000195530945 388477588 /nfs/dbraw/zinc/47/75/88/388477588.db2.gz XVIACNPTRXUMFI-RYUDHWBXSA-N 1 0 221.348 1.894 50 0 BDAARO Cc1noc([C@H](C)N2CC[NH+](C(C)C)CC2)n1 ZINC000069351364 388414905 /nfs/dbraw/zinc/41/49/05/388414905.db2.gz OKSFXTFANPNPNZ-JTQLQIEISA-N 1 0 238.335 1.465 50 0 BDAARO C[C@]1(O)CCC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245316648 388415398 /nfs/dbraw/zinc/41/53/98/388415398.db2.gz KBPZKKJOIOEQIP-ZNMIVQPWSA-N 1 0 247.338 1.492 50 0 BDAARO CCOCCN1CC[NH+](CCC(C)C)CC1 ZINC000069627691 388423214 /nfs/dbraw/zinc/42/32/14/388423214.db2.gz QZJWEQFGTVYPGI-UHFFFAOYSA-N 1 0 228.380 1.687 50 0 BDAARO Cn1cc([C@@H]2CCC[N@@H+]2CCn2cccn2)cn1 ZINC000069662738 388423963 /nfs/dbraw/zinc/42/39/63/388423963.db2.gz UBVBUVXZNVHVRL-ZDUSSCGKSA-N 1 0 245.330 1.454 50 0 BDAARO Cc1cc(CN2CCC[C@@H]2Cn2cccn2)no1 ZINC000069769219 388426726 /nfs/dbraw/zinc/42/67/26/388426726.db2.gz XIYUHCPCQKMWFQ-CYBMUJFWSA-N 1 0 246.314 1.844 50 0 BDAARO COc1cccc(CNC[C@H]2CCC[N@H+](C)C2)n1 ZINC000070093488 388433095 /nfs/dbraw/zinc/43/30/95/388433095.db2.gz KUOKCJVYBYXUHC-GFCCVEGCSA-N 1 0 249.358 1.522 50 0 BDAARO Cc1ccc(F)cc1C[NH2+]CCc1nnc[nH]1 ZINC000195552874 388482387 /nfs/dbraw/zinc/48/23/87/388482387.db2.gz YXNHKSMLLVGLGO-UHFFFAOYSA-N 1 0 234.278 1.585 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000195554199 388482749 /nfs/dbraw/zinc/48/27/49/388482749.db2.gz HYSGEWJVZJKXGY-JTQLQIEISA-N 1 0 210.277 1.365 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CCc1cccnc1 ZINC000037718061 388592551 /nfs/dbraw/zinc/59/25/51/388592551.db2.gz QXZFBKBFKRMRPI-UHFFFAOYSA-N 1 0 230.315 1.754 50 0 BDAARO Cn1cccc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000253429320 388592816 /nfs/dbraw/zinc/59/28/16/388592816.db2.gz QWCWQTMGECKRLU-CHWSQXEVSA-N 1 0 220.316 1.778 50 0 BDAARO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000225397300 388679540 /nfs/dbraw/zinc/67/95/40/388679540.db2.gz BGPNEJHQFYHRGZ-ZJUUUORDSA-N 1 0 240.328 1.574 50 0 BDAARO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000078821908 388740525 /nfs/dbraw/zinc/74/05/25/388740525.db2.gz ZNQGGPXIPHFCBJ-NSHDSACASA-N 1 0 212.337 1.587 50 0 BDAARO CC(C)[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000249162115 388711497 /nfs/dbraw/zinc/71/14/97/388711497.db2.gz ZFJJQPMTANQPDA-GMTAPVOTSA-N 1 0 201.310 1.018 50 0 BDAARO C[C@H]([NH3+])CCNS(=O)(=O)CCC(C)(C)C ZINC000225496963 388721758 /nfs/dbraw/zinc/72/17/58/388721758.db2.gz WPXPEPWXJKDHSH-VIFPVBQESA-N 1 0 236.381 1.079 50 0 BDAARO Cn1nc(C2CCC2)cc1NC(=O)C1([NH3+])CC1 ZINC000095971686 388797061 /nfs/dbraw/zinc/79/70/61/388797061.db2.gz APTRVQGNUMBPBJ-UHFFFAOYSA-N 1 0 234.303 1.117 50 0 BDAARO CN(C)C[C@@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000095973156 388797613 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C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(C)o1 ZINC000237250946 173379192 /nfs/dbraw/zinc/37/91/92/173379192.db2.gz USFWSXOAXGYDDQ-ABZNLYFFSA-N 1 0 248.326 1.812 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000064034451 173435391 /nfs/dbraw/zinc/43/53/91/173435391.db2.gz XGJOYHWLQXYOPI-GFCCVEGCSA-N 1 0 234.299 1.617 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000044135798 173823115 /nfs/dbraw/zinc/82/31/15/173823115.db2.gz ZRRCBQONYBQKFI-NWDGAFQWSA-N 1 0 219.284 1.553 50 0 BDAARO COCCC[NH2+]Cc1ccc(OC)cc1 ZINC000002555531 174248519 /nfs/dbraw/zinc/24/85/19/174248519.db2.gz PTFWYICRTCPUQP-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO COCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000075897938 174282604 /nfs/dbraw/zinc/28/26/04/174282604.db2.gz PAROBHQWJUAYKU-ZDUSSCGKSA-N 1 0 223.316 1.688 50 0 BDAARO COCCN(Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000037798200 174299406 /nfs/dbraw/zinc/29/94/06/174299406.db2.gz DKAJVLWWZPIYNX-NSHDSACASA-N 1 0 236.315 1.009 50 0 BDAARO 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177124061 /nfs/dbraw/zinc/12/40/61/177124061.db2.gz VLKWLIZUPIGMJR-JQWIXIFHSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC(C)(C)O1 ZINC000127470929 177230929 /nfs/dbraw/zinc/23/09/29/177230929.db2.gz ULXTXTNJHNTJLW-VIFPVBQESA-N 1 0 249.314 1.303 50 0 BDAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)CC[NH3+] ZINC000237661600 177240374 /nfs/dbraw/zinc/24/03/74/177240374.db2.gz BACJQQDMYBUPCD-NSHDSACASA-N 1 0 247.342 1.202 50 0 BDAARO C[C@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C1 ZINC000067175855 177283073 /nfs/dbraw/zinc/28/30/73/177283073.db2.gz KPOYZVQMOOKKQV-VIFPVBQESA-N 1 0 214.309 1.463 50 0 BDAARO C[C@H]1COCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000035776557 177289631 /nfs/dbraw/zinc/28/96/31/177289631.db2.gz JZBDSRKPLBFWNK-WCQYABFASA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000035788802 177301022 /nfs/dbraw/zinc/30/10/22/177301022.db2.gz ARCCYCWHJBSGFD-WDEREUQCSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@H]1CN(C(=O)/C=C\c2cccc(F)c2)CC[NH2+]1 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242.363 1.356 50 0 BDAARO C/C(=C\C(=O)N1CC[NH2+]CC1)c1ccccc1F ZINC000585086614 972123242 /nfs/dbraw/zinc/12/32/42/972123242.db2.gz BWMWUFVKSWVUDI-ZHACJKMWSA-N 1 0 248.301 1.661 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 ZINC000585117679 972150109 /nfs/dbraw/zinc/15/01/09/972150109.db2.gz REQLPQVJQGBRLK-XQHKEYJVSA-N 1 0 234.343 1.396 50 0 BDAARO COc1cc(-n2cccn2)ccc1C(N)=[NH2+] ZINC000585138047 972170441 /nfs/dbraw/zinc/17/04/41/972170441.db2.gz KTAQWMAIKLWHKM-UHFFFAOYSA-N 1 0 216.244 1.165 50 0 BDAARO OCc1cccc(C[NH2+]Cc2cncnc2)c1 ZINC000222109361 972339424 /nfs/dbraw/zinc/33/94/24/972339424.db2.gz QKVDVIBGJKDGMG-UHFFFAOYSA-N 1 0 229.283 1.259 50 0 BDAARO C[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)nn2)C1 ZINC000585651516 959542013 /nfs/dbraw/zinc/54/20/13/959542013.db2.gz DRVJBKSDARAUCC-SNVBAGLBSA-N 1 0 219.288 1.437 50 0 BDAARO CC(C)[C@@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000820759407 968481969 /nfs/dbraw/zinc/48/19/69/968481969.db2.gz GSZVEVIFTRZJNK-GFCCVEGCSA-N 1 0 222.336 1.646 50 0 BDAARO CC[N@@H+]1CCCC[C@H]1CNc1nccc(N)n1 ZINC000823113253 968539434 /nfs/dbraw/zinc/53/94/34/968539434.db2.gz ZALAPQRVXCVXAO-JTQLQIEISA-N 1 0 235.335 1.345 50 0 BDAARO Cc1nc(CC[N@@H+](C)Cc2cccnc2N)no1 ZINC000823714991 968556966 /nfs/dbraw/zinc/55/69/66/968556966.db2.gz CTERMKLLYAEAAE-UHFFFAOYSA-N 1 0 247.302 1.030 50 0 BDAARO Cc1csc(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000585652639 973918057 /nfs/dbraw/zinc/91/80/57/973918057.db2.gz QSQDJDNEMOBUQF-SNVBAGLBSA-N 1 0 224.329 1.925 50 0 BDAARO Cc1nsc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])n1 ZINC000585652150 973921940 /nfs/dbraw/zinc/92/19/40/973921940.db2.gz LHHWWERXNWWLKT-WDEREUQCSA-N 1 0 247.323 1.850 50 0 BDAARO Cc1nccc(OC[C@@H]2CCC[N@H+]2C)n1 ZINC000585652790 973923422 /nfs/dbraw/zinc/92/34/22/973923422.db2.gz WQUBUWINRGMFEG-JTQLQIEISA-N 1 0 207.277 1.258 50 0 BDAARO Cc1nnc(CN2CCC(C[NH3+])CC2)s1 ZINC000698347250 987371722 /nfs/dbraw/zinc/37/17/22/987371722.db2.gz HJICWLJTCYXQID-UHFFFAOYSA-N 1 0 226.349 1.017 50 0 BDAARO CN(CC[NH+]1CCCC1)c1nnc2ccccn21 ZINC001506415449 988777136 /nfs/dbraw/zinc/77/71/36/988777136.db2.gz XVEZXEFJOHTZHD-UHFFFAOYSA-N 1 0 245.330 1.261 50 0 BDAARO CCc1nccn1C[C@@H](C)[NH2+]CCc1c[nH]cn1 ZINC001506422722 988777873 /nfs/dbraw/zinc/77/78/73/988777873.db2.gz SOPBJDGMTUCION-LLVKDONJSA-N 1 0 247.346 1.389 50 0 BDAARO Cc1nncn1CC[N@@H+](C)Cc1cccc(O)c1 ZINC001506410512 988778784 /nfs/dbraw/zinc/77/87/84/988778784.db2.gz UKXOOGSEQFQBAI-UHFFFAOYSA-N 1 0 246.314 1.424 50 0 BDAARO CCn1cc(C[N@H+](C)CCn2nccc2C)cn1 ZINC001506414175 988780921 /nfs/dbraw/zinc/78/09/21/988780921.db2.gz PBQULTUMELPDDL-UHFFFAOYSA-N 1 0 247.346 1.540 50 0 BDAARO c1nc(CC[NH2+]C2CSCCSC2)c[nH]1 ZINC001506422032 988781779 /nfs/dbraw/zinc/78/17/79/988781779.db2.gz ZOXLEXAWRMWROB-UHFFFAOYSA-N 1 0 243.401 1.390 50 0 BDAARO Cc1cc(C)cc(OCCC[NH2+]CCO)c1 ZINC000002902722 177912077 /nfs/dbraw/zinc/91/20/77/177912077.db2.gz GALALQLYSPGJTM-UHFFFAOYSA-N 1 0 223.316 1.654 50 0 BDAARO C[C@H](CC(=O)N1CC[C@@H]([NH3+])C1)c1ccncc1 ZINC000299739216 136209521 /nfs/dbraw/zinc/20/95/21/136209521.db2.gz LVUUIDJLQMZZJW-ZYHUDNBSSA-N 1 0 233.315 1.135 50 0 BDAARO C[C@@H](CC(=O)N1CC[C@H]([NH3+])C1)c1ccncc1 ZINC000299739214 136209532 /nfs/dbraw/zinc/20/95/32/136209532.db2.gz LVUUIDJLQMZZJW-JQWIXIFHSA-N 1 0 233.315 1.135 50 0 BDAARO CCc1c(C)nc([C@@](C)([NH3+])CC)[nH]c1=O ZINC000070948770 398141893 /nfs/dbraw/zinc/14/18/93/398141893.db2.gz SKCJYXKKFAZHCF-NSHDSACASA-N 1 0 209.293 1.225 50 0 BDAARO [NH3+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000037987664 346809143 /nfs/dbraw/zinc/80/91/43/346809143.db2.gz OIRSHTSIVLNGMS-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 BDAARO CCC(CC)([NH2+]C[C@@H]1CC=CCC1)C(N)=O ZINC000195577891 168331452 /nfs/dbraw/zinc/33/14/52/168331452.db2.gz AUFFEBOZIQRZEH-LLVKDONJSA-N 1 0 224.348 1.976 50 0 BDAARO Cc1cc(C[NH2+][C@@H](C)C(N)=O)c(C)s1 ZINC000032593279 178028885 /nfs/dbraw/zinc/02/88/85/178028885.db2.gz MTCQZFYAWUBFLS-ZETCQYMHSA-N 1 0 212.318 1.328 50 0 BDAARO CCC1CCC([NH+](CC(N)=O)C2CC2)CC1 ZINC000052103561 398187801 /nfs/dbraw/zinc/18/78/01/398187801.db2.gz KEAYROMWMZRKRQ-UHFFFAOYSA-N 1 0 224.348 1.905 50 0 BDAARO Cc1cc(F)ccc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000126946565 178081704 /nfs/dbraw/zinc/08/17/04/178081704.db2.gz GNJHYOHJGTYRTO-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO Cc1cc(N)nc(SCCC[NH+](C)C)n1 ZINC000002601114 178109898 /nfs/dbraw/zinc/10/98/98/178109898.db2.gz WPPGHTJNDBHMKD-UHFFFAOYSA-N 1 0 226.349 1.411 50 0 BDAARO Cc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000027732994 178173539 /nfs/dbraw/zinc/17/35/39/178173539.db2.gz IZSMCEZWXPRSOM-UHFFFAOYSA-N 1 0 214.272 1.979 50 0 BDAARO CC/C=C(\C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000097086660 398222175 /nfs/dbraw/zinc/22/21/75/398222175.db2.gz WMHCMNNQLHDWAK-QNCMIEPLSA-N 1 0 236.359 1.943 50 0 BDAARO Cc1cc(N[C@H](CO)c2ccccc2)nc(N)[nH+]1 ZINC000082060646 178187674 /nfs/dbraw/zinc/18/76/74/178187674.db2.gz GZAMEPUVCBXLEO-LLVKDONJSA-N 1 0 244.298 1.513 50 0 BDAARO CCOC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000075869490 398229263 /nfs/dbraw/zinc/22/92/63/398229263.db2.gz LHNMNSLNPGLLEM-UHFFFAOYSA-N 1 0 240.328 1.787 50 0 BDAARO Cc1cc(C)n(CCC[NH2+]Cc2c[nH]nc2C)n1 ZINC000097159541 398246924 /nfs/dbraw/zinc/24/69/24/398246924.db2.gz HHKYLNNFOGERPX-UHFFFAOYSA-N 1 0 247.346 1.711 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000097159482 398247358 /nfs/dbraw/zinc/24/73/58/398247358.db2.gz ANDZISFBZOQZOI-ZDUSSCGKSA-N 1 0 249.289 1.680 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1 ZINC000055331127 178387444 /nfs/dbraw/zinc/38/74/44/178387444.db2.gz KTFMZHOGHAJSIX-LLVKDONJSA-N 1 0 233.315 1.262 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000020357433 178387545 /nfs/dbraw/zinc/38/75/45/178387545.db2.gz UUMWHMGHHHFHRR-GFCCVEGCSA-N 1 0 218.300 1.558 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])o1 ZINC000063193687 178387743 /nfs/dbraw/zinc/38/77/43/178387743.db2.gz OGFVRDKNMAQOLA-QWRGUYRKSA-N 1 0 236.315 1.930 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1Cl ZINC000063022351 178396894 /nfs/dbraw/zinc/39/68/94/178396894.db2.gz XZZJEPSDSQQEAQ-JTQLQIEISA-N 1 0 238.718 1.822 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)n1C ZINC000070076536 178399586 /nfs/dbraw/zinc/39/95/86/178399586.db2.gz IVEFZAOIRNPYBZ-AOOOYVTPSA-N 1 0 235.331 1.156 50 0 BDAARO Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)n1C ZINC000070076538 178399890 /nfs/dbraw/zinc/39/98/90/178399890.db2.gz IVEFZAOIRNPYBZ-UWVGGRQHSA-N 1 0 235.331 1.156 50 0 BDAARO [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000335388644 136235043 /nfs/dbraw/zinc/23/50/43/136235043.db2.gz WOAIZVLRVHDMTK-OTSSQURYSA-N 1 0 208.236 1.502 50 0 BDAARO CN1CCC([NH2+]CCc2ccccc2)CC1 ZINC000000280637 342682009 /nfs/dbraw/zinc/68/20/09/342682009.db2.gz ULQCWUQXLLZVEI-UHFFFAOYSA-N 1 0 218.344 1.913 50 0 BDAARO C[C@H](O)CCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000000333227 342683573 /nfs/dbraw/zinc/68/35/73/342683573.db2.gz PKDKOMSASKISIZ-ZETCQYMHSA-N 1 0 205.261 1.459 50 0 BDAARO Cc1cc(C[NH2+][C@H]2CCNC(=O)CC2)cnc1C ZINC000584903037 342713744 /nfs/dbraw/zinc/71/37/44/342713744.db2.gz RQZLTKUMWHTZSP-CYBMUJFWSA-N 1 0 247.342 1.457 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004030968 342741013 /nfs/dbraw/zinc/74/10/13/342741013.db2.gz ADEAKWCDCFOHJJ-VIFPVBQESA-N 1 0 223.272 1.540 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000004203954 342744122 /nfs/dbraw/zinc/74/41/22/342744122.db2.gz LRTPRHCNWAEZBN-ZJUUUORDSA-N 1 0 226.320 1.463 50 0 BDAARO CCOc1cc2c(cc1C[NH3+])O[C@@H](C)C2 ZINC000004207020 342744186 /nfs/dbraw/zinc/74/41/86/342744186.db2.gz GFCXVYPLOCEWFJ-QMMMGPOBSA-N 1 0 207.273 1.867 50 0 BDAARO O=C([C@@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000004312781 342746518 /nfs/dbraw/zinc/74/65/18/342746518.db2.gz SJIXUAHYLJYDCF-NSHDSACASA-N 1 0 210.321 1.531 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(C)cc1C ZINC000004499457 342748354 /nfs/dbraw/zinc/74/83/54/342748354.db2.gz DVOQYEQMVYMSJH-NSHDSACASA-N 1 0 207.273 1.866 50 0 BDAARO Clc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000002527175 342722621 /nfs/dbraw/zinc/72/26/21/342722621.db2.gz AMZYBOJPLHNYJD-UHFFFAOYSA-N 1 0 212.680 1.866 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000002555525 342723691 /nfs/dbraw/zinc/72/36/91/342723691.db2.gz XSYGFTHHPAOYJI-ZDUSSCGKSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000004637218 342749677 /nfs/dbraw/zinc/74/96/77/342749677.db2.gz SVKCSYVDFSFJPN-GFCCVEGCSA-N 1 0 213.284 1.953 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccc(N)cc1C ZINC000003627201 342735253 /nfs/dbraw/zinc/73/52/53/342735253.db2.gz SYAAUKCZXNDCGK-UHFFFAOYSA-N 1 0 249.358 1.649 50 0 BDAARO O=c1[nH]c(=S)[nH]cc1C[NH+]1CCCCC1 ZINC000005116934 342758469 /nfs/dbraw/zinc/75/84/69/342758469.db2.gz HVNGXJJCRHNOQC-UHFFFAOYSA-N 1 0 225.317 1.045 50 0 BDAARO COC(=O)C[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000005510966 342765179 /nfs/dbraw/zinc/76/51/79/342765179.db2.gz WWCYOWKGBSCUIA-VIFPVBQESA-N 1 0 227.691 1.945 50 0 BDAARO CSc1nc2ccccc2c(NN)[nH+]1 ZINC000006850448 342784891 /nfs/dbraw/zinc/78/48/91/342784891.db2.gz GKXPZQHDHQSGCO-UHFFFAOYSA-N 1 0 206.274 1.637 50 0 BDAARO COC(=O)C1(C[NH2+]CC(C)(C)C)CCOCC1 ZINC000097372941 342790658 /nfs/dbraw/zinc/79/06/58/342790658.db2.gz IYLPUZBCLZFFRT-UHFFFAOYSA-N 1 0 243.347 1.592 50 0 BDAARO c1nc2c([nH]1)[C@@H](c1ccc3c(c1)OCO3)[NH2+]CC2 ZINC000008791942 342804800 /nfs/dbraw/zinc/80/48/00/342804800.db2.gz UIXFLQKJUPTGRF-GFCCVEGCSA-N 1 0 243.266 1.374 50 0 biogenic BDAARO Cc1ccc(C(C)(C)C[N@H+](C)CC(N)=O)cc1 ZINC000075861725 178451054 /nfs/dbraw/zinc/45/10/54/178451054.db2.gz JDMIDNSLBBTABU-UHFFFAOYSA-N 1 0 234.343 1.690 50 0 BDAARO C[C@@H](C[NH2+]CCOCCO)c1ccccc1 ZINC000010436483 342836338 /nfs/dbraw/zinc/83/63/38/342836338.db2.gz DVJBCXIXTVUYON-LBPRGKRZSA-N 1 0 223.316 1.389 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920020 342844628 /nfs/dbraw/zinc/84/46/28/342844628.db2.gz AKPDJEPRKHDIBX-SSDOTTSWSA-N 1 0 226.226 1.024 50 0 BDAARO COc1cc(C[NH3+])cc(Cl)c1OC ZINC000011957017 342845081 /nfs/dbraw/zinc/84/50/81/342845081.db2.gz IKJBHLQFXPEZOC-UHFFFAOYSA-N 1 0 201.653 1.816 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000011961701 342845468 /nfs/dbraw/zinc/84/54/68/342845468.db2.gz ZJYNYHVEDXMFEQ-ZDUSSCGKSA-N 1 0 232.327 1.615 50 0 BDAARO C[NH2+]Cc1cccc(-c2ccn(C)n2)c1 ZINC000012370663 342850463 /nfs/dbraw/zinc/85/04/63/342850463.db2.gz QTPPVJGJXALONT-UHFFFAOYSA-N 1 0 201.273 1.807 50 0 BDAARO C[NH2+]Cc1cccc(-c2nc(C)no2)c1 ZINC000012370392 342850490 /nfs/dbraw/zinc/85/04/90/342850490.db2.gz FWMVARCHFJQGJP-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@@H]2C1 ZINC000012506747 342852950 /nfs/dbraw/zinc/85/29/50/342852950.db2.gz TUIAJQPTVCSWOB-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO C[NH+](C)CCCNC(=O)c1c[nH]c2ccccc12 ZINC000035134622 398304506 /nfs/dbraw/zinc/30/45/06/398304506.db2.gz DHHIYKBZWPZHBF-UHFFFAOYSA-N 1 0 245.326 1.849 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000014806770 342887762 /nfs/dbraw/zinc/88/77/62/342887762.db2.gz HPPARSNAMZJAPZ-LBPRGKRZSA-N 1 0 226.320 1.607 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000015020975 342890859 /nfs/dbraw/zinc/89/08/59/342890859.db2.gz BPRMDAOAWMQXAJ-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO [NH3+]CCc1nncn1-c1cccc2ccccc21 ZINC000067540023 398329221 /nfs/dbraw/zinc/32/92/21/398329221.db2.gz WQGFCKDZPAKJCJ-UHFFFAOYSA-N 1 0 238.294 1.922 50 0 BDAARO Cc1ccc(CNCC[NH2+]C[C@@H](C)O)s1 ZINC000019217274 342943911 /nfs/dbraw/zinc/94/39/11/342943911.db2.gz JZZKGESVCWVVPX-SECBINFHSA-N 1 0 228.361 1.117 50 0 BDAARO Cc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1 ZINC000019370648 342947268 /nfs/dbraw/zinc/94/72/68/342947268.db2.gz HIWVTHJOUYZDGL-GFCCVEGCSA-N 1 0 222.332 1.055 50 0 BDAARO Cc1cc(C)n(-c2cc(C(N)=[NH2+])ccn2)n1 ZINC000019428263 342948633 /nfs/dbraw/zinc/94/86/33/342948633.db2.gz XOZGDAYSXBUSIA-UHFFFAOYSA-N 1 0 215.260 1.168 50 0 BDAARO Cc1ccsc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000019634875 342952803 /nfs/dbraw/zinc/95/28/03/342952803.db2.gz DLXYTKAJNDNTJX-JTQLQIEISA-N 1 0 238.356 1.754 50 0 BDAARO O=C(c1ccccc1F)N1CCC[NH2+]CC1 ZINC000019679938 342953712 /nfs/dbraw/zinc/95/37/12/342953712.db2.gz DFMUIGAXODDLLX-UHFFFAOYSA-N 1 0 222.263 1.261 50 0 BDAARO CN(C)c1nccnc1[C@H]1CCC[NH2+]C1 ZINC000019686761 342954022 /nfs/dbraw/zinc/95/40/22/342954022.db2.gz KMKNQPHBGIQUGD-VIFPVBQESA-N 1 0 206.293 1.010 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000019411747 342947810 /nfs/dbraw/zinc/94/78/10/342947810.db2.gz CJBSRAOABNSEMY-NSHDSACASA-N 1 0 222.263 1.825 50 0 BDAARO c1cc2c(cc1C1=CC[NH2+]CC1)OCCO2 ZINC000019811406 342958798 /nfs/dbraw/zinc/95/87/98/342958798.db2.gz MSKDFDIPRSVKEO-UHFFFAOYSA-N 1 0 217.268 1.835 50 0 BDAARO Cn1cccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000019871990 342960498 /nfs/dbraw/zinc/96/04/98/342960498.db2.gz ZNWCAPGISRJAOA-CQSZACIVSA-N 1 0 230.311 1.848 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1ccc(C)cc1 ZINC000020579346 342991855 /nfs/dbraw/zinc/99/18/55/342991855.db2.gz VPUKVVPIACLWAQ-NSHDSACASA-N 1 0 207.273 1.285 50 0 BDAARO Fc1ccc(OCCOC2CC[NH2+]CC2)cc1 ZINC000020266964 342979320 /nfs/dbraw/zinc/97/93/20/342979320.db2.gz WNZCEVHUMWODJS-UHFFFAOYSA-N 1 0 239.290 1.973 50 0 BDAARO C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000020281305 342980206 /nfs/dbraw/zinc/98/02/06/342980206.db2.gz FNFIZADIGKZVNO-UHFFFAOYSA-N 1 0 204.273 1.298 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000020457461 342985613 /nfs/dbraw/zinc/98/56/13/342985613.db2.gz VIUSVTOXZSTKKV-NSHDSACASA-N 1 0 222.263 1.389 50 0 BDAARO CSCC[C@H](N)c1nc(C(C)C)no1 ZINC000021514454 343014745 /nfs/dbraw/zinc/01/47/45/343014745.db2.gz OFBJOCNGGLZWDV-ZETCQYMHSA-N 1 0 215.322 1.946 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC000022007245 343034169 /nfs/dbraw/zinc/03/41/69/343034169.db2.gz CGEBPOMWRHSMLI-MRVPVSSYSA-N 1 0 212.293 1.263 50 0 BDAARO CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH2+]1 ZINC000022015291 343035588 /nfs/dbraw/zinc/03/55/88/343035588.db2.gz UNANQGCDACTJPA-VIFPVBQESA-N 1 0 214.309 1.653 50 0 BDAARO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)n1cccn1 ZINC000022211800 343044334 /nfs/dbraw/zinc/04/43/34/343044334.db2.gz AEFLDURKLNJTLF-SNVBAGLBSA-N 1 0 244.298 1.542 50 0 BDAARO Fc1ccc(CN2CC[NH2+]CC2)cc1F ZINC000022942245 343057066 /nfs/dbraw/zinc/05/70/66/343057066.db2.gz BZUZZARHVURUSK-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO Fc1cc(F)cc(CN2CC[NH2+]CC2)c1 ZINC000022942402 343057170 /nfs/dbraw/zinc/05/71/70/343057170.db2.gz KIUFJPFAJJKTOP-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO O=C1NCCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000023283351 343063200 /nfs/dbraw/zinc/06/32/00/343063200.db2.gz WCZQTRRXOVQQAY-CQSZACIVSA-N 1 0 244.338 1.412 50 0 BDAARO [NH3+]CC(=O)C1CCC(C(F)(F)F)CC1 ZINC000127163749 343075547 /nfs/dbraw/zinc/07/55/47/343075547.db2.gz SXNUJYPWWPQYPT-UHFFFAOYSA-N 1 0 209.211 1.883 50 0 BDAARO Cc1cc(N[C@H](C)[C@H](C)n2cccn2)nc(N)[nH+]1 ZINC000072269688 343116931 /nfs/dbraw/zinc/11/69/31/343116931.db2.gz OPBZFKHXXORSRH-ZJUUUORDSA-N 1 0 246.318 1.625 50 0 BDAARO C[N@H+](CCC(N)=O)[C@H]1CCc2ccccc21 ZINC000029339364 343138042 /nfs/dbraw/zinc/13/80/42/343138042.db2.gz FDVSKDLPRNNSSR-LBPRGKRZSA-N 1 0 218.300 1.481 50 0 BDAARO CCN(C(=O)CSC(N)=[NH2+])C1CCCCC1 ZINC000029334436 343138171 /nfs/dbraw/zinc/13/81/71/343138171.db2.gz SJOPEKFBXNTCSY-UHFFFAOYSA-N 1 0 243.376 1.794 50 0 BDAARO C[NH+](C)CCOC(=O)/C=C/c1ccco1 ZINC000004723172 187246569 /nfs/dbraw/zinc/24/65/69/187246569.db2.gz STFBQZIGPDXDHC-AATRIKPKSA-N 1 0 209.245 1.398 50 0 BDAARO CC1(C)NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000005072006 187248229 /nfs/dbraw/zinc/24/82/29/187248229.db2.gz ABIIVUMODLTBTH-UHFFFAOYSA-N 1 0 215.260 1.278 50 0 BDAARO COc1cc(NC(N)=[NH2+])cc(OC)c1OC ZINC000031772064 343224406 /nfs/dbraw/zinc/22/44/06/343224406.db2.gz DXUWATABALHSNY-UHFFFAOYSA-N 1 0 225.248 1.018 50 0 BDAARO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000012299272 187250722 /nfs/dbraw/zinc/25/07/22/187250722.db2.gz JGGXYSGOTQHFTC-RUJPKEBESA-N 1 0 236.359 1.897 50 0 BDAARO O=C(C[NH+]1CCCCC1)N1CCCCC1 ZINC000032751250 343241609 /nfs/dbraw/zinc/24/16/09/343241609.db2.gz WESZEIYOWWULAD-UHFFFAOYSA-N 1 0 210.321 1.485 50 0 BDAARO [NH3+][C@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000034384619 343268754 /nfs/dbraw/zinc/26/87/54/343268754.db2.gz LXYGOSJYDNZVTO-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO CC(=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000019518036 187252876 /nfs/dbraw/zinc/25/28/76/187252876.db2.gz BORAIMRIXNKUFQ-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC12CCC2 ZINC000034416428 343270273 /nfs/dbraw/zinc/27/02/73/343270273.db2.gz HKOSEKNVWYWWGV-VIFPVBQESA-N 1 0 226.320 1.653 50 0 BDAARO CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019634014 343271684 /nfs/dbraw/zinc/27/16/84/343271684.db2.gz UUBRHDXZUFIDGG-CYBMUJFWSA-N 1 0 208.349 1.980 50 0 BDAARO C[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000023280516 343272108 /nfs/dbraw/zinc/27/21/08/343272108.db2.gz WJYKTGQDCQBKAI-UHFFFAOYSA-N 1 0 241.338 1.982 50 0 BDAARO CCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000055502002 343274233 /nfs/dbraw/zinc/27/42/33/343274233.db2.gz IQFCOMPTRVPQIV-GHMZBOCLSA-N 1 0 228.361 1.440 50 0 biogenic BDAARO CC(C)(C)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000034651177 343276631 /nfs/dbraw/zinc/27/66/31/343276631.db2.gz DMJXRYSGXCLCFP-GFCCVEGCSA-N 1 0 232.327 1.616 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccco1 ZINC000036873270 343325929 /nfs/dbraw/zinc/32/59/29/343325929.db2.gz ZULDIRWTCUHTJW-JTQLQIEISA-N 1 0 210.277 1.365 50 0 BDAARO C[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1 ZINC000036932948 343327939 /nfs/dbraw/zinc/32/79/39/343327939.db2.gz PRLFOSQAXSIYGJ-CYBMUJFWSA-N 1 0 234.343 1.497 50 0 BDAARO Fc1ccc(OC[C@H]2C[NH2+]CCO2)cc1F ZINC000035811642 343305030 /nfs/dbraw/zinc/30/50/30/343305030.db2.gz FWGZLYHSKGFEEA-SECBINFHSA-N 1 0 229.226 1.332 50 0 BDAARO O=C1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000036140943 343310486 /nfs/dbraw/zinc/31/04/86/343310486.db2.gz RQHOGSOCPPWOJC-LBPRGKRZSA-N 1 0 203.241 1.384 50 0 BDAARO O=C(c1cc(F)ccc1O)C1CC[NH2+]CC1 ZINC000036293726 343314480 /nfs/dbraw/zinc/31/44/80/343314480.db2.gz ZULBLCPLJYOXEV-UHFFFAOYSA-N 1 0 223.247 1.714 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC000036379919 343317587 /nfs/dbraw/zinc/31/75/87/343317587.db2.gz HODGRZURVLFVKM-KXUCPTDWSA-N 1 0 226.320 1.509 50 0 BDAARO O=C([C@@H]1C[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000038478387 343375493 /nfs/dbraw/zinc/37/54/93/343375493.db2.gz UBUQVJPGLZRQIQ-QWHCGFSZSA-N 1 0 248.301 1.361 50 0 BDAARO Cn1cccc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000335640843 136308563 /nfs/dbraw/zinc/30/85/63/136308563.db2.gz AZSALESWBDYPBD-GFCCVEGCSA-N 1 0 226.295 1.586 50 0 BDAARO C[C@H](O)CCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000040165610 343397810 /nfs/dbraw/zinc/39/78/10/343397810.db2.gz FPBDOTJZROIZOG-QMMMGPOBSA-N 1 0 219.288 1.849 50 0 BDAARO CCOc1ccc(C(=[NH2+])NO)cc1OCC ZINC000040450121 343404030 /nfs/dbraw/zinc/40/40/30/343404030.db2.gz UDMOKYMYZPUEEQ-UHFFFAOYSA-N 1 0 224.260 1.788 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000041028508 343412958 /nfs/dbraw/zinc/41/29/58/343412958.db2.gz SLAXLBNHLBVLFK-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO CC(C)(C[NH3+])c1ccc2c(c1)OCCO2 ZINC000037934540 187261353 /nfs/dbraw/zinc/26/13/53/187261353.db2.gz SLTKFVZHYFPVML-UHFFFAOYSA-N 1 0 207.273 1.694 50 0 BDAARO CC(=O)Nc1cccc(O[C@H]2CC[NH2+]C2)c1 ZINC000042776280 343452194 /nfs/dbraw/zinc/45/21/94/343452194.db2.gz NQJQUBCRFLWMRI-LBPRGKRZSA-N 1 0 220.272 1.386 50 0 BDAARO Cn1ccnc1SCC1CC[NH2+]CC1 ZINC000043498128 343475877 /nfs/dbraw/zinc/47/58/77/343475877.db2.gz RIKHMRAVPJMKCE-UHFFFAOYSA-N 1 0 211.334 1.512 50 0 BDAARO Nc1ncc(C[NH2+]C2CCCCC2)cn1 ZINC000046085285 343538909 /nfs/dbraw/zinc/53/89/09/343538909.db2.gz TVARARLHDACCKG-UHFFFAOYSA-N 1 0 206.293 1.481 50 0 BDAARO CC(C)CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000054918294 343663260 /nfs/dbraw/zinc/66/32/60/343663260.db2.gz WQSJVUMFZCSEKE-LBPRGKRZSA-N 1 0 220.316 1.329 50 0 BDAARO CC1(C)C[NH2+]CCN1Cc1ccccc1 ZINC000057218681 343685807 /nfs/dbraw/zinc/68/58/07/343685807.db2.gz ZDYGXJLQTUNTKJ-UHFFFAOYSA-N 1 0 204.317 1.870 50 0 BDAARO [NH3+]CCOc1ccc(OCC(F)(F)F)cc1 ZINC000145713801 343787206 /nfs/dbraw/zinc/78/72/06/343787206.db2.gz RNGBXUVTVHOLIO-UHFFFAOYSA-N 1 0 235.205 1.965 50 0 BDAARO C[N@@H+]1CCC[C@@H]1CNC(=O)CC(F)(F)F ZINC000065516627 187274341 /nfs/dbraw/zinc/27/43/41/187274341.db2.gz VAGYHHDLERIVKB-SSDOTTSWSA-N 1 0 224.226 1.149 50 0 BDAARO C[C@H]([NH2+][C@H]1CCOC1)c1cncc(F)c1 ZINC000090773917 343939341 /nfs/dbraw/zinc/93/93/41/343939341.db2.gz DVVPBYIJLLCUKW-KWQFWETISA-N 1 0 210.252 1.660 50 0 BDAARO CC(C)C(=O)Nc1ccc(OCC(N)=[NH2+])cc1 ZINC000079112073 187281378 /nfs/dbraw/zinc/28/13/78/187281378.db2.gz WOIGIDRBEWDYMT-UHFFFAOYSA-N 1 0 235.287 1.596 50 0 BDAARO CC(C)CCc1nc2c(c(=O)[nH]1)CC[NH2+]C2 ZINC000077407237 344070362 /nfs/dbraw/zinc/07/03/62/344070362.db2.gz PMBNUAICOQGOSG-UHFFFAOYSA-N 1 0 221.304 1.417 50 0 BDAARO CC1(C)C[N@H+](CCCn2ccnc2)C[C@]1(C)O ZINC000091548722 187286398 /nfs/dbraw/zinc/28/63/98/187286398.db2.gz LEAMEHMSULCRAX-ZDUSSCGKSA-N 1 0 237.347 1.366 50 0 BDAARO CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000095401957 187287659 /nfs/dbraw/zinc/28/76/59/187287659.db2.gz ZXECZNPZHSPVHV-LBPRGKRZSA-N 1 0 210.321 1.341 50 0 BDAARO C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccnc2)C1(C)C ZINC000585140249 344172549 /nfs/dbraw/zinc/17/25/49/344172549.db2.gz AUVKODFOUVHIKV-NEPJUHHUSA-N 1 0 247.342 1.540 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccncc1 ZINC000097139313 187289814 /nfs/dbraw/zinc/28/98/14/187289814.db2.gz OJNJCPCPRKPACE-AWEZNQCLSA-N 1 0 233.359 1.854 50 0 BDAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000095223302 344333761 /nfs/dbraw/zinc/33/37/61/344333761.db2.gz DGPJTESPWRLSFV-CYBMUJFWSA-N 1 0 219.332 1.656 50 0 BDAARO CCOC(=O)c1cc(C[N@H+](CC)C2CC2)on1 ZINC000600840565 344382378 /nfs/dbraw/zinc/38/23/78/344382378.db2.gz ISAXMRZBHYGKON-UHFFFAOYSA-N 1 0 238.287 1.836 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH3+])C1 ZINC000117941065 187294507 /nfs/dbraw/zinc/29/45/07/187294507.db2.gz QTTMMHODJVCZPK-SNVBAGLBSA-N 1 0 228.336 1.982 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC000050912410 187296875 /nfs/dbraw/zinc/29/68/75/187296875.db2.gz UZCKUWGIMOUHBR-LBPRGKRZSA-N 1 0 218.300 1.512 50 0 BDAARO Cc1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)n1C ZINC000248120760 345044730 /nfs/dbraw/zinc/04/47/30/345044730.db2.gz JZORZJKLJOHLGW-NWDGAFQWSA-N 1 0 234.347 1.888 50 0 BDAARO CCC1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000019899749 168523126 /nfs/dbraw/zinc/52/31/26/168523126.db2.gz CDJXPOMZVDLVJP-MCIGGMRASA-N 1 0 245.388 1.732 50 0 BDAARO C[C@@]1(C(=O)Nc2nccs2)CCC[NH2+]C1 ZINC000062851654 345463340 /nfs/dbraw/zinc/46/33/40/345463340.db2.gz OQQFCFKXMNQBSW-SNVBAGLBSA-N 1 0 225.317 1.471 50 0 BDAARO CC(C)CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000095466161 345686313 /nfs/dbraw/zinc/68/63/13/345686313.db2.gz RIASLJFEEIQWNZ-CHWSQXEVSA-N 1 0 238.375 1.975 50 0 BDAARO COCCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000072978675 345794227 /nfs/dbraw/zinc/79/42/27/345794227.db2.gz JXWWYOINWKVEMV-GFCCVEGCSA-N 1 0 215.337 1.770 50 0 BDAARO CCC(CC)(CO)[NH2+]Cc1cnc(C)o1 ZINC000628215825 345917660 /nfs/dbraw/zinc/91/76/60/345917660.db2.gz UXIHLUFAIWGGPW-UHFFFAOYSA-N 1 0 212.293 1.624 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1nnnn1C1CC1 ZINC000192887629 346103947 /nfs/dbraw/zinc/10/39/47/346103947.db2.gz XUGYQXJWABEJJF-DTWKUNHWSA-N 1 0 235.335 1.847 50 0 BDAARO CC(C)(C)OC(=O)C1(C(=[NH2+])NO)CC1 ZINC000669371760 537948900 /nfs/dbraw/zinc/94/89/00/537948900.db2.gz YZDNTXOAJWJLBL-UHFFFAOYSA-N 1 0 200.238 1.064 50 0 BDAARO CCCn1c(=O)sc(C=O)c1-[n+]1ccccc1 ZINC000005432460 346223328 /nfs/dbraw/zinc/22/33/28/346223328.db2.gz PPNPMDQALNQRCY-UHFFFAOYSA-N 1 0 249.315 1.409 50 0 BDAARO Cc1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000002464243 179015634 /nfs/dbraw/zinc/01/56/34/179015634.db2.gz XLCFDPDYCBHSGJ-UHFFFAOYSA-N 1 0 220.316 1.677 50 0 BDAARO Cc1cccc(CN2CCC[C@H]([NH3+])C2)c1 ZINC000020408082 179076905 /nfs/dbraw/zinc/07/69/05/179076905.db2.gz FCYOUKBTZOYXRZ-ZDUSSCGKSA-N 1 0 204.317 1.918 50 0 BDAARO Cc1cccc(CNC(=[NH2+])NCC(C)C)n1 ZINC000052042357 179085739 /nfs/dbraw/zinc/08/57/39/179085739.db2.gz BEYMLEUDDIUBNU-UHFFFAOYSA-N 1 0 220.320 1.660 50 0 BDAARO Cc1cccc(N2C[C@@H](C[NH3+])OC2=O)c1 ZINC000019669039 179123468 /nfs/dbraw/zinc/12/34/68/179123468.db2.gz LXWOHVWKOWVRON-SNVBAGLBSA-N 1 0 206.245 1.279 50 0 BDAARO Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000019412220 179140633 /nfs/dbraw/zinc/14/06/33/179140633.db2.gz JPFSCQFDUFLVTK-NSHDSACASA-N 1 0 218.300 1.933 50 0 BDAARO O=C(c1cccs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932092 347208915 /nfs/dbraw/zinc/20/89/15/347208915.db2.gz JLRSHULKQRCCMH-SNVBAGLBSA-N 1 0 236.340 1.668 50 0 BDAARO CC[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019536516 347338153 /nfs/dbraw/zinc/33/81/53/347338153.db2.gz IRECEWRCYUGKPY-UHFFFAOYSA-N 1 0 222.307 1.963 50 0 BDAARO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1 ZINC000110695185 347341276 /nfs/dbraw/zinc/34/12/76/347341276.db2.gz FYKVCLZELDVPPY-MNOVXSKESA-N 1 0 213.321 1.258 50 0 BDAARO Cc1ccccc1C[NH+](C[C@@H](C)O)C[C@@H](C)O ZINC000000757378 179272238 /nfs/dbraw/zinc/27/22/38/179272238.db2.gz QNGJVVICQYFMCY-CHWSQXEVSA-N 1 0 237.343 1.559 50 0 BDAARO CCc1nnc(C[NH+](C(C)C)C(C)C)n1C ZINC000195553396 347641738 /nfs/dbraw/zinc/64/17/38/347641738.db2.gz KMGVHYBVQLTEND-UHFFFAOYSA-N 1 0 224.352 1.996 50 0 BDAARO C[C@H](C1CCC1)[N@H+](C)CCC1OCCO1 ZINC000195565993 347647402 /nfs/dbraw/zinc/64/74/02/347647402.db2.gz POZKEBCQRWGFBB-SNVBAGLBSA-N 1 0 213.321 1.870 50 0 BDAARO Cc1ccccc1CN1CCC[NH2+]CC1 ZINC000022151064 179273031 /nfs/dbraw/zinc/27/30/31/179273031.db2.gz YZYWLUMZHQKNJJ-UHFFFAOYSA-N 1 0 204.317 1.790 50 0 BDAARO Cc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000020055652 179299311 /nfs/dbraw/zinc/29/93/11/179299311.db2.gz NPRSRDVKENPKIM-LBPRGKRZSA-N 1 0 248.326 1.702 50 0 BDAARO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000237631643 179329459 /nfs/dbraw/zinc/32/94/59/179329459.db2.gz UDSLUGDATQIYHR-KBPBESRZSA-N 1 0 244.338 1.530 50 0 BDAARO CN(C)C(=O)c1ccc(C2CC[NH2+]CC2)nc1 ZINC000019695350 348558141 /nfs/dbraw/zinc/55/81/41/348558141.db2.gz JJWXUUUGIHDYTQ-UHFFFAOYSA-N 1 0 233.315 1.250 50 0 BDAARO COC(=O)[C@@]1(N)CCc2cc(Cl)ccc2C1 ZINC000095635359 348832406 /nfs/dbraw/zinc/83/24/06/348832406.db2.gz PHDSFEWNJQAKFW-GFCCVEGCSA-N 1 0 239.702 1.699 50 0 BDAARO CCn1cncc1C[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399250619 323201824 /nfs/dbraw/zinc/20/18/24/323201824.db2.gz MJTVQCUOPGUHNE-JQWIXIFHSA-N 1 0 223.320 1.248 50 0 BDAARO Cc1ccc(NC(=O)C[NH2+]CCCO)c(C)c1 ZINC000006588806 349402393 /nfs/dbraw/zinc/40/23/93/349402393.db2.gz RJCAFDIIRLGSQN-UHFFFAOYSA-N 1 0 236.315 1.214 50 0 BDAARO COc1ccc([C@@](C)(O)[C@H]2CCC[NH2+]2)cc1 ZINC000069842460 191002807 /nfs/dbraw/zinc/00/28/07/191002807.db2.gz XAJLILFYLVEXSH-CHWSQXEVSA-N 1 0 221.300 1.655 50 0 BDAARO Cc1nc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC000051783666 350110733 /nfs/dbraw/zinc/11/07/33/350110733.db2.gz MQKMMOMIRYDQJX-JTQLQIEISA-N 1 0 201.273 1.879 50 0 BDAARO C/C=C(\C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000222123832 350099461 /nfs/dbraw/zinc/09/94/61/350099461.db2.gz YSCOJTNVPYCWEG-BDMRALOESA-N 1 0 210.321 1.538 50 0 BDAARO CCNC(=O)NC[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000725255302 538051947 /nfs/dbraw/zinc/05/19/47/538051947.db2.gz YYKQCVCCZVDKAO-GXFFZTMASA-N 1 0 241.379 1.849 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CC12CC2 ZINC000426361642 191023176 /nfs/dbraw/zinc/02/31/76/191023176.db2.gz CWOONQFHDZEGOF-NSHDSACASA-N 1 0 245.326 1.140 50 0 BDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cccs1)CC2 ZINC000069952125 180113258 /nfs/dbraw/zinc/11/32/58/180113258.db2.gz VTWZLESNQIKUMQ-JTQLQIEISA-N 1 0 248.355 1.753 50 0 BDAARO Cc1ncc(/C=C/C(=O)NCC[NH+](C)C)s1 ZINC000095433463 180123330 /nfs/dbraw/zinc/12/33/30/180123330.db2.gz GGXXOHDXUFTKIR-SNAWJCMRSA-N 1 0 239.344 1.143 50 0 BDAARO Cc1ncc(CN2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000049714040 180146423 /nfs/dbraw/zinc/14/64/23/180146423.db2.gz FLXPPMPDOUJTDI-LDYMZIIASA-N 1 0 225.361 1.621 50 0 BDAARO c1cn2c(n1)[C@H](C[NH2+]Cc1cnc[nH]1)CCC2 ZINC000089884728 362953409 /nfs/dbraw/zinc/95/34/09/362953409.db2.gz UXRQHMWAFOAAFH-JTQLQIEISA-N 1 0 231.303 1.273 50 0 BDAARO Cc1ncncc1C(=O)NCC[NH+]1CCCCC1 ZINC000065462338 180292996 /nfs/dbraw/zinc/29/29/96/180292996.db2.gz RXFAMJLQYLPOGI-UHFFFAOYSA-N 1 0 248.330 1.001 50 0 BDAARO CN(C[C@@H]1CCCO1)[C@@H]1CCCC[C@H]1[NH3+] ZINC000040449157 350365036 /nfs/dbraw/zinc/36/50/36/350365036.db2.gz VEMLLQAIJFCAAS-QJPTWQEYSA-N 1 0 212.337 1.367 50 0 BDAARO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229225540 350570253 /nfs/dbraw/zinc/57/02/53/350570253.db2.gz VNWBMBRMGGSPLD-VXGBXAGGSA-N 1 0 226.364 1.879 50 0 BDAARO C[N@H+](CC(N)=O)[C@H]1CCCc2ccccc21 ZINC000007583028 350835477 /nfs/dbraw/zinc/83/54/77/350835477.db2.gz LINVJKNWUDXGGT-LBPRGKRZSA-N 1 0 218.300 1.481 50 0 BDAARO Clc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000252500317 180579648 /nfs/dbraw/zinc/57/96/48/180579648.db2.gz SSAMDDNUPYOLJJ-UHFFFAOYSA-N 1 0 223.707 1.779 50 0 BDAARO Clc1cncc(OC[C@@H]2CC[NH2+]C2)n1 ZINC000042774133 180600103 /nfs/dbraw/zinc/60/01/03/180600103.db2.gz QUTGRGWFPMDKPP-SSDOTTSWSA-N 1 0 213.668 1.118 50 0 BDAARO CC(C)(C)CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044541307 352354173 /nfs/dbraw/zinc/35/41/73/352354173.db2.gz YNNWGAVVKMKLRV-SNVBAGLBSA-N 1 0 212.337 1.762 50 0 BDAARO [NH3+][C@@H]1CSC[C@@H]1OC(=O)c1ccccc1 ZINC000004061904 352645973 /nfs/dbraw/zinc/64/59/73/352645973.db2.gz DUBRXCIPGRDPFR-ZJUUUORDSA-N 1 0 223.297 1.286 50 0 biogenic BDAARO CCC([NH3+])(CC)CNC(=O)NC(C)C ZINC000168501338 535189712 /nfs/dbraw/zinc/18/97/12/535189712.db2.gz WBQYIJLKSGGTNM-UHFFFAOYSA-N 1 0 201.314 1.212 50 0 BDAARO CC(C)[C@@H]1CN(c2cnccn2)C[C@H]1[NH+](C)C ZINC000091807950 187973588 /nfs/dbraw/zinc/97/35/88/187973588.db2.gz NRUGLEGQVWFZDX-NWDGAFQWSA-N 1 0 234.347 1.499 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C[NH3+] ZINC000107258523 187990373 /nfs/dbraw/zinc/99/03/73/187990373.db2.gz DADYKTRZKFJROI-JGVFFNPUSA-N 1 0 218.272 1.293 50 0 BDAARO CC(C)(C)[C@H]([NH2+]CC(N)=O)c1cccs1 ZINC000054417136 188007996 /nfs/dbraw/zinc/00/79/96/188007996.db2.gz AZZGXZVDLXNYOK-SNVBAGLBSA-N 1 0 226.345 1.910 50 0 BDAARO Cc1nc(F)ccc1CN(C)Cc1nccn1C ZINC000225625204 188010467 /nfs/dbraw/zinc/01/04/67/188010467.db2.gz OVQUAZBVWOFKOF-UHFFFAOYSA-N 1 0 248.305 1.895 50 0 BDAARO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC000096485269 188016851 /nfs/dbraw/zinc/01/68/51/188016851.db2.gz FYKVCLZELDVPPY-QWRGUYRKSA-N 1 0 213.321 1.258 50 0 BDAARO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000096298249 188017520 /nfs/dbraw/zinc/01/75/20/188017520.db2.gz VOZHTLGDLGETLF-OCAVMSEFSA-N 1 0 234.343 1.814 50 0 BDAARO CC(C)[NH+]1CCN(Cc2cccn2C)CC1 ZINC000019790166 188003554 /nfs/dbraw/zinc/00/35/54/188003554.db2.gz SKRXEXVOSIRLIC-UHFFFAOYSA-N 1 0 221.348 1.551 50 0 BDAARO C[N@H+](C1CCS(=O)(=O)CC1)[C@H]1C=CCCC1 ZINC000079469697 538110579 /nfs/dbraw/zinc/11/05/79/538110579.db2.gz OFOJBGZVJPJGAL-NSHDSACASA-N 1 0 243.372 1.604 50 0 BDAARO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000039644662 363208232 /nfs/dbraw/zinc/20/82/32/363208232.db2.gz DMFIILJDODEYHQ-GFCCVEGCSA-N 1 0 219.284 1.729 50 0 BDAARO Fc1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005928269 181003403 /nfs/dbraw/zinc/00/34/03/181003403.db2.gz BEHWECGZOPAKRV-LLVKDONJSA-N 1 0 217.247 1.784 50 0 BDAARO C[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)[C@@H]1C[NH3+] ZINC000087237485 354244931 /nfs/dbraw/zinc/24/49/31/354244931.db2.gz XSKJHARKBMIJML-GRYCIOLGSA-N 1 0 240.347 1.141 50 0 BDAARO CN(C(=O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000032904750 354596517 /nfs/dbraw/zinc/59/65/17/354596517.db2.gz GGIBBKMTVDFCPY-UHFFFAOYSA-N 1 0 226.364 1.975 50 0 BDAARO N=C(NC(N)=[NH2+])Nc1ccc(Cl)cc1Cl ZINC000000528557 181187449 /nfs/dbraw/zinc/18/74/49/181187449.db2.gz YUOBDYAVSVCCNI-UHFFFAOYSA-N 1 0 246.101 1.823 50 0 BDAARO [NH3+][C@H](CO)C(=O)Nc1ccc2ccccc2c1 ZINC000005273800 355729249 /nfs/dbraw/zinc/72/92/49/355729249.db2.gz JOPLDMLMXHNTAX-GFCCVEGCSA-N 1 0 230.267 1.098 50 0 biogenic,in-vitro BDAARO CCOC(=O)[C@@]1(CCCOC)CCC[NH2+]C1 ZINC000261361130 355821480 /nfs/dbraw/zinc/82/14/80/355821480.db2.gz QKCFQSYYXFVORP-GFCCVEGCSA-N 1 0 229.320 1.346 50 0 BDAARO NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010089912 181222187 /nfs/dbraw/zinc/22/21/87/181222187.db2.gz WQKPBXIGMYGMLG-GFCCVEGCSA-N 1 0 218.300 1.699 50 0 BDAARO NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011154916 181230980 /nfs/dbraw/zinc/23/09/80/181230980.db2.gz BUKKHEZEQVRMQB-UHFFFAOYSA-N 1 0 246.354 1.817 50 0 BDAARO NC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000229604782 181267650 /nfs/dbraw/zinc/26/76/50/181267650.db2.gz GPOBOYYAZZOPIX-MNOVXSKESA-N 1 0 208.305 1.435 50 0 BDAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000097103588 181280463 /nfs/dbraw/zinc/28/04/63/181280463.db2.gz OJBJXYAEKWGPEK-WDEREUQCSA-N 1 0 210.321 1.420 50 0 BDAARO NC(=O)[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000157169252 181282336 /nfs/dbraw/zinc/28/23/36/181282336.db2.gz KQOYTHSIUBQRKP-ISUDXETCSA-N 1 0 248.301 1.646 50 0 BDAARO C[N@H+](CC1CCC1)[C@@H]1CCC[C@H]1S(C)(=O)=O ZINC000252511400 363489495 /nfs/dbraw/zinc/48/94/95/363489495.db2.gz GJULPFBKSSPPMM-VXGBXAGGSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@@H]1CC[N@H+](Cc2ccncc2F)[C@@H]1CO ZINC000336217512 134137736 /nfs/dbraw/zinc/13/77/36/134137736.db2.gz GFZILJXWWGWACE-BXKDBHETSA-N 1 0 224.279 1.423 50 0 BDAARO C[C@]1(CO)CCC[C@@H]1[NH2+]C1CCOCC1 ZINC000095403007 538605610 /nfs/dbraw/zinc/60/56/10/538605610.db2.gz IAFKZGAXLGGOCR-NWDGAFQWSA-N 1 0 213.321 1.306 50 0 BDAARO Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(C)C1=O ZINC000095397880 538606816 /nfs/dbraw/zinc/60/68/16/538606816.db2.gz NXVRNKBPFDJDKP-UONOGXRCSA-N 1 0 244.338 1.803 50 0 BDAARO FC(F)(F)c1ccnn1[C@H]1CCC[NH2+]C1 ZINC000095464161 538607272 /nfs/dbraw/zinc/60/72/72/538607272.db2.gz WBDHZMTUSCULCA-ZETCQYMHSA-N 1 0 219.210 1.826 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392392899 357150960 /nfs/dbraw/zinc/15/09/60/357150960.db2.gz WNAZYNKTBYHFMX-CDEVMZEPSA-N 1 0 220.320 1.952 50 0 BDAARO O=C1c2ccccc2NC1C1=[NH+]CCN1 ZINC000102196944 357217847 /nfs/dbraw/zinc/21/78/47/357217847.db2.gz AFLIHHSZEQXBOM-UHFFFAOYSA-N 1 0 201.229 1.223 50 0 BDAARO CC[NH+](CC)CC(=O)NC(=O)Nc1ccccc1 ZINC000012979364 357974964 /nfs/dbraw/zinc/97/49/64/357974964.db2.gz WNCOXJMFIHNPAC-UHFFFAOYSA-N 1 0 249.314 1.677 50 0 BDAARO CCCC[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000107065545 358177330 /nfs/dbraw/zinc/17/73/30/358177330.db2.gz HMDOZSRMWRVZMZ-GFCCVEGCSA-N 1 0 242.363 1.389 50 0 BDAARO C[C@@H](C(=O)NC1CC1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000032751287 358449660 /nfs/dbraw/zinc/44/96/60/358449660.db2.gz QWNJCRWEAKARAU-MXWKQRLJSA-N 1 0 224.348 1.631 50 0 BDAARO Cc1c(C)[n+](=O)c2cc(F)c(F)cc2n1O ZINC000136576914 358881948 /nfs/dbraw/zinc/88/19/48/358881948.db2.gz UGCODSGIQYTHNV-UHFFFAOYSA-N 1 0 227.190 1.688 50 0 BDAARO COCC[NH2+]CCNC(=O)c1cscc1C ZINC000212789992 358948658 /nfs/dbraw/zinc/94/86/58/358948658.db2.gz HYKYMIDCYBEPNE-UHFFFAOYSA-N 1 0 242.344 1.022 50 0 BDAARO [NH3+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000044233198 360004363 /nfs/dbraw/zinc/00/43/63/360004363.db2.gz FEFLEQVGCBGMTC-VIFPVBQESA-N 1 0 203.644 1.861 50 0 BDAARO CC(C)(C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000041051463 361206276 /nfs/dbraw/zinc/20/62/76/361206276.db2.gz TZNJLVYYZMBHGE-VIFPVBQESA-N 1 0 219.350 1.057 50 0 BDAARO Oc1cc(Br)cc2c1OCC[NH2+]C2 ZINC000238727301 361371875 /nfs/dbraw/zinc/37/18/75/361371875.db2.gz KINNNUAEWIXSRM-UHFFFAOYSA-N 1 0 244.088 1.637 50 0 BDAARO [NH3+]C1(c2nc(C3CC3)cc(=O)[nH]2)CCCCC1 ZINC000068577017 181335444 /nfs/dbraw/zinc/33/54/44/181335444.db2.gz NAPBZRDEDRLBFW-UHFFFAOYSA-N 1 0 233.315 1.765 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1C ZINC000036901528 361577481 /nfs/dbraw/zinc/57/74/81/361577481.db2.gz KEJQOSRRPLTGBX-LBPRGKRZSA-N 1 0 222.336 1.292 50 0 BDAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](C2CC2)N1 ZINC000049283156 181340642 /nfs/dbraw/zinc/34/06/42/181340642.db2.gz VGTWVNOYTTYQRY-SNVBAGLBSA-N 1 0 227.271 1.494 50 0 BDAARO [NH3+]C1CCN(C(=O)c2cccs2)CC1 ZINC000004299056 181343541 /nfs/dbraw/zinc/34/35/41/181343541.db2.gz ZSOZXVDAAMDHHK-UHFFFAOYSA-N 1 0 210.302 1.311 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(Br)cc1 ZINC000003865132 181355213 /nfs/dbraw/zinc/35/52/13/181355213.db2.gz AXRMYSHRBDXGGO-UHFFFAOYSA-N 1 0 229.077 1.346 50 0 BDAARO CC(C)(C)[C@](C)([NH3+])CNC(=O)NC1CCCC1 ZINC000725254934 541331993 /nfs/dbraw/zinc/33/19/93/541331993.db2.gz KSMVAIWBOJGGPB-CYBMUJFWSA-N 1 0 241.379 1.992 50 0 BDAARO c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000095395450 541394440 /nfs/dbraw/zinc/39/44/40/541394440.db2.gz RYSWTDCBXVJIPD-GFCCVEGCSA-N 1 0 217.316 1.756 50 0 BDAARO CC(=O)NCC1(C(F)(F)F)CC[NH2+]CC1 ZINC000685949371 541396515 /nfs/dbraw/zinc/39/65/15/541396515.db2.gz OZVSQMKJQLRUFJ-UHFFFAOYSA-N 1 0 224.226 1.055 50 0 BDAARO [NH3+]CCCNC(=O)c1nc2ccccc2s1 ZINC000022473338 181382347 /nfs/dbraw/zinc/38/23/47/181382347.db2.gz SWBSSIHWPHJIOP-UHFFFAOYSA-N 1 0 235.312 1.375 50 0 BDAARO [NH3+]CCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000001448459 181392356 /nfs/dbraw/zinc/39/23/56/181392356.db2.gz QLRQPVDPLMBXJA-RMKNXTFCSA-N 1 0 249.295 1.077 50 0 BDAARO [NH3+]CCn1nc(-c2ccncc2)c2c1CCCC2 ZINC000231566006 541479433 /nfs/dbraw/zinc/47/94/33/541479433.db2.gz YFXTVLWQUKXGQC-UHFFFAOYSA-N 1 0 242.326 1.783 50 0 BDAARO O[C@@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000116898560 370850945 /nfs/dbraw/zinc/85/09/45/370850945.db2.gz QBGJTVIWVSLDFA-BTTYYORXSA-N 1 0 217.312 1.889 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000153827105 368159152 /nfs/dbraw/zinc/15/91/52/368159152.db2.gz LQICHVBBNUKMQG-SNVBAGLBSA-N 1 0 244.404 1.634 50 0 BDAARO C[C@H](Cc1ccccc1)[n+]1cc(=[NH2+])o[n-]1 ZINC000005751605 368370735 /nfs/dbraw/zinc/37/07/35/368370735.db2.gz IHPFOUMJKIFVEX-SECBINFHSA-N 1 0 204.253 1.178 50 0 BDAARO [NH3+]C[C@@H]1CCN(c2nc3ccccc3o2)C1 ZINC000034924836 181435412 /nfs/dbraw/zinc/43/54/12/181435412.db2.gz PQZFDYSRUAOWBM-VIFPVBQESA-N 1 0 217.272 1.613 50 0 BDAARO CC(C)(C[NH+]1CCCC1)NC(=O)c1cncnc1 ZINC000457060702 203006210 /nfs/dbraw/zinc/00/62/10/203006210.db2.gz XTPYPSYWGKNARD-UHFFFAOYSA-N 1 0 248.330 1.081 50 0 BDAARO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000253369673 368939714 /nfs/dbraw/zinc/93/97/14/368939714.db2.gz GNWSGTHKHNIYGI-LNFKQOIKSA-N 1 0 212.337 1.535 50 0 BDAARO CC[NH+](CC)CCCNC(=O)c1cc(C)on1 ZINC000013363652 371048195 /nfs/dbraw/zinc/04/81/95/371048195.db2.gz KOVGXXCUJXZFPB-UHFFFAOYSA-N 1 0 239.319 1.445 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000041028482 181578065 /nfs/dbraw/zinc/57/80/65/181578065.db2.gz ZSPJWFQWCXUEOP-GFCCVEGCSA-N 1 0 236.290 1.318 50 0 BDAARO [NH3+][C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079273590 181593898 /nfs/dbraw/zinc/59/38/98/181593898.db2.gz ZMHVOVQAUQAVMY-NEPJUHHUSA-N 1 0 234.299 1.793 50 0 BDAARO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000085361586 181648117 /nfs/dbraw/zinc/64/81/17/181648117.db2.gz KVTTZHOQNNHCCJ-MNOVXSKESA-N 1 0 244.298 1.629 50 0 BDAARO C[NH2+][C@H](C)Cc1cccc(C(=O)OC)c1 ZINC000096027728 371377180 /nfs/dbraw/zinc/37/71/80/371377180.db2.gz XUBNCSJYHRNRGE-SECBINFHSA-N 1 0 207.273 1.624 50 0 BDAARO Cc1ccc(C[NH2+][C@H](C)Cn2cncn2)o1 ZINC000067504958 372803770 /nfs/dbraw/zinc/80/37/70/372803770.db2.gz NXXRRAQBORNYEM-SECBINFHSA-N 1 0 220.276 1.358 50 0 BDAARO O=C(CSC1=[NH+]CCN1)Nc1ccccc1 ZINC000001665917 182007374 /nfs/dbraw/zinc/00/73/74/182007374.db2.gz WXLPLNAWWILGFY-UHFFFAOYSA-N 1 0 235.312 1.318 50 0 in-vitro BDAARO O=C(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000019088732 182044427 /nfs/dbraw/zinc/04/44/27/182044427.db2.gz GVMHERHUVPIZHD-LBPRGKRZSA-N 1 0 203.285 1.798 50 0 BDAARO O=C(Cc1ccccc1)OC[C@H]1CCC[NH2+]C1 ZINC000042768742 182044447 /nfs/dbraw/zinc/04/44/47/182044447.db2.gz HUANAXVXSZKUMG-ZDUSSCGKSA-N 1 0 233.311 1.772 50 0 BDAARO O=C(NC1CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000037117173 182114623 /nfs/dbraw/zinc/11/46/23/182114623.db2.gz RDIGAWBYEMTQAV-GFCCVEGCSA-N 1 0 224.348 1.968 50 0 BDAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccoc1 ZINC000029093449 182116105 /nfs/dbraw/zinc/11/61/05/182116105.db2.gz UBAOQQFFWWGOCK-UHFFFAOYSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(NCCCC[NH+]1CCCC1)c1ccncc1 ZINC000044456395 182163821 /nfs/dbraw/zinc/16/38/21/182163821.db2.gz PASMYGPGWHOHPI-UHFFFAOYSA-N 1 0 247.342 1.687 50 0 BDAARO CCCCS(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000069814585 373833701 /nfs/dbraw/zinc/83/37/01/373833701.db2.gz HUBPSRIJBXHPLR-LLVKDONJSA-N 1 0 248.392 1.048 50 0 BDAARO O=C(NC[C@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000019274552 182236878 /nfs/dbraw/zinc/23/68/78/182236878.db2.gz GKRVWSKFPICTKX-GFCCVEGCSA-N 1 0 233.315 1.950 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000044315744 182237283 /nfs/dbraw/zinc/23/72/83/182237283.db2.gz FMKYQXVXHHZPRM-VIFPVBQESA-N 1 0 208.261 1.009 50 0 BDAARO O=C(N[C@@H]1CCC12C[NH2+]C2)OCc1ccccc1 ZINC000095743042 182292440 /nfs/dbraw/zinc/29/24/40/182292440.db2.gz DAHMZHHMKRRHPQ-GFCCVEGCSA-N 1 0 246.310 1.665 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000019399104 182294873 /nfs/dbraw/zinc/29/48/73/182294873.db2.gz UALBMCQJCQSKIR-LLVKDONJSA-N 1 0 222.263 1.308 50 0 BDAARO O=C(N[C@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000036286798 182336537 /nfs/dbraw/zinc/33/65/37/182336537.db2.gz WRZBRBLVFCIYMT-JTQLQIEISA-N 1 0 230.267 1.525 50 0 BDAARO CCCC[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC000002492141 168868171 /nfs/dbraw/zinc/86/81/71/168868171.db2.gz RDUHXGIIUDVSHR-LBPRGKRZSA-N 1 0 209.289 1.815 50 0 biogenic,in-man BDAARO O=C(c1ccoc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000019745683 182692110 /nfs/dbraw/zinc/69/21/10/182692110.db2.gz JPFFHALEUFGNCT-LBPRGKRZSA-N 1 0 234.299 1.590 50 0 BDAARO OCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000245015310 183040715 /nfs/dbraw/zinc/04/07/15/183040715.db2.gz LVHPIAQBTUVFSJ-UHFFFAOYSA-N 1 0 231.339 1.858 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000037619444 169007427 /nfs/dbraw/zinc/00/74/27/169007427.db2.gz XMVAHBOQEJEPLZ-JQWIXIFHSA-N 1 0 235.331 1.776 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000002489785 183120723 /nfs/dbraw/zinc/12/07/23/183120723.db2.gz GNRVSNDRVLFXJD-LBPRGKRZSA-N 1 0 209.264 1.782 50 0 BDAARO OC[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000006535935 183143580 /nfs/dbraw/zinc/14/35/80/183143580.db2.gz FDPXMOAOGJCTDU-DGCLKSJQSA-N 1 0 221.300 1.007 50 0 BDAARO OC[C@H]1CCCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000225597869 183148048 /nfs/dbraw/zinc/14/80/48/183148048.db2.gz ZLAWFWDQNQZKOG-ZIAGYGMSSA-N 1 0 241.375 1.774 50 0 BDAARO OC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000011892612 183151657 /nfs/dbraw/zinc/15/16/57/183151657.db2.gz GULYBIGMHOEZOG-ZDUSSCGKSA-N 1 0 205.301 1.543 50 0 BDAARO OC[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1F ZINC000098089098 183155935 /nfs/dbraw/zinc/15/59/35/183155935.db2.gz QDJOTQAOTNWMDE-XCBNKYQSSA-N 1 0 229.682 1.774 50 0 BDAARO OC[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1F ZINC000098089097 183155993 /nfs/dbraw/zinc/15/59/93/183155993.db2.gz QDJOTQAOTNWMDE-GMSGAONNSA-N 1 0 229.682 1.774 50 0 BDAARO O[C@@H](C[NH2+]Cc1cccnc1)c1ccccc1 ZINC000020051638 183179966 /nfs/dbraw/zinc/17/99/66/183179966.db2.gz JIUIJJDCWPFUKB-AWEZNQCLSA-N 1 0 228.295 1.905 50 0 BDAARO O[C@@H](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000041242400 183183463 /nfs/dbraw/zinc/18/34/63/183183463.db2.gz QEMFQKAVIRRLIK-YPMHNXCESA-N 1 0 223.291 1.729 50 0 BDAARO O[C@@H]1CCCC[C@@H]1[NH+]1CCN(C2CCC2)CC1 ZINC000309982563 183189823 /nfs/dbraw/zinc/18/98/23/183189823.db2.gz GVMGTTQVGPMPSI-UONOGXRCSA-N 1 0 238.375 1.460 50 0 BDAARO O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000199540 183193025 /nfs/dbraw/zinc/19/30/25/183193025.db2.gz MMZLQAIKSJRDIW-GFCCVEGCSA-N 1 0 209.264 1.782 50 0 BDAARO O[C@H](C[NH+]1CCCCCC1)C(F)(F)F ZINC000005621511 183220246 /nfs/dbraw/zinc/22/02/46/183220246.db2.gz KBCJDNINKHXTSD-MRVPVSSYSA-N 1 0 211.227 1.786 50 0 BDAARO O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000000212927 183239705 /nfs/dbraw/zinc/23/97/05/183239705.db2.gz NVBPYTSZAGPUJC-NSHDSACASA-N 1 0 211.692 1.907 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@H]1CCc2ccccc2C1 ZINC000049000788 169110823 /nfs/dbraw/zinc/11/08/23/169110823.db2.gz SKDWOFPCFMCCIC-AWEZNQCLSA-N 1 0 246.354 1.741 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@H]1C[C@@H](OCC)C1(C)C ZINC000110614407 169110909 /nfs/dbraw/zinc/11/09/09/169110909.db2.gz JLFQTWKWPAQSQK-WDEREUQCSA-N 1 0 242.363 1.387 50 0 BDAARO S=c1[nH]nc(C2CC[NH2+]CC2)n1C1CC1 ZINC000020160281 183314808 /nfs/dbraw/zinc/31/48/08/183314808.db2.gz SPNVDCKOKBTKHK-UHFFFAOYSA-N 1 0 224.333 1.743 50 0 BDAARO C#[N+]c1cc(C(=O)OC)ccc1C(=O)OC ZINC000100000360 183317044 /nfs/dbraw/zinc/31/70/44/183317044.db2.gz VZPNZYNXEWNAAV-UHFFFAOYSA-N 1 0 219.196 1.811 50 0 BDAARO CCC[NH+]1CCC(NS(=O)(=O)CCC)CC1 ZINC000070243524 169188580 /nfs/dbraw/zinc/18/85/80/169188580.db2.gz FHZIUJHOVDBTMY-UHFFFAOYSA-N 1 0 248.392 1.190 50 0 BDAARO c1cc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)ccn1 ZINC000063084496 183330410 /nfs/dbraw/zinc/33/04/10/183330410.db2.gz BKYWEOPVBRAVHF-JTQLQIEISA-N 1 0 244.298 1.674 50 0 BDAARO CCC[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000032761064 169202678 /nfs/dbraw/zinc/20/26/78/169202678.db2.gz UETDDYYYQVZLCQ-JTQLQIEISA-N 1 0 238.335 1.467 50 0 BDAARO CCCN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000044114102 169202757 /nfs/dbraw/zinc/20/27/57/169202757.db2.gz IJMONBQVWBHMJT-LBPRGKRZSA-N 1 0 228.380 1.421 50 0 BDAARO c1cc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000083071465 183333041 /nfs/dbraw/zinc/33/30/41/183333041.db2.gz JYFBAWHCSUCJEQ-VIFPVBQESA-N 1 0 230.271 1.284 50 0 BDAARO S=C1N[C@H]2CCCC[C@@H]2N1C[NH+]1CCCC1 ZINC000000353187 183312945 /nfs/dbraw/zinc/31/29/45/183312945.db2.gz JFHUKDUHJMPSOQ-QWRGUYRKSA-N 1 0 239.388 1.541 50 0 BDAARO c1ccc(-c2noc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000043705204 183385511 /nfs/dbraw/zinc/38/55/11/183385511.db2.gz DZVIQWMODHUUFR-SNVBAGLBSA-N 1 0 231.255 1.398 50 0 BDAARO c1cc2c(cc1C[NH2+]C[C@H]1CCCO1)OCCO2 ZINC000006747485 183368143 /nfs/dbraw/zinc/36/81/43/183368143.db2.gz BTSJQNIDOWQNNA-GFCCVEGCSA-N 1 0 249.310 1.726 50 0 BDAARO c1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)nc1 ZINC000063084498 183382505 /nfs/dbraw/zinc/38/25/05/183382505.db2.gz SBNNHMGQUDULPB-JTQLQIEISA-N 1 0 244.298 1.674 50 0 BDAARO c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)ncn1 ZINC000072381921 183362446 /nfs/dbraw/zinc/36/24/46/183362446.db2.gz ZMCKJBOBSKAYEN-LBPRGKRZSA-N 1 0 247.342 1.835 50 0 BDAARO c1cn(-c2ccccc2)c(N2CC[NH2+]CC2)n1 ZINC000017200446 183386534 /nfs/dbraw/zinc/38/65/34/183386534.db2.gz GUIPUTNTMUWIHI-UHFFFAOYSA-N 1 0 228.299 1.282 50 0 BDAARO c1ccc(C2=NOC3(CC[NH2+]CC3)N2)cc1 ZINC000096517305 183388946 /nfs/dbraw/zinc/38/89/46/183388946.db2.gz ZAXBBBVYBCEHEJ-UHFFFAOYSA-N 1 0 217.272 1.048 50 0 BDAARO CCCS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000076058634 169333912 /nfs/dbraw/zinc/33/39/12/169333912.db2.gz GDRFILGWWAACCH-QWRGUYRKSA-N 1 0 248.392 1.045 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)Nc1ccc(N(C)C)nc1 ZINC000037020108 169392415 /nfs/dbraw/zinc/39/24/15/169392415.db2.gz RWYULDFLRRZZGI-SNVBAGLBSA-N 1 0 236.319 1.214 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000082359725 166654412 /nfs/dbraw/zinc/65/44/12/166654412.db2.gz NVINVTWMFWHTFK-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH3+] ZINC000098210000 169645865 /nfs/dbraw/zinc/64/58/65/169645865.db2.gz BCXIODCAQHGGLG-MRVPVSSYSA-N 1 0 202.298 1.591 50 0 BDAARO Cc1cc(C)[n+](Cc2ccccc2)cc1C(N)=O ZINC000000331463 383852844 /nfs/dbraw/zinc/85/28/44/383852844.db2.gz OPGHEUROHJIFIH-UHFFFAOYSA-O 1 0 241.314 1.738 50 0 BDAARO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000035689659 383869489 /nfs/dbraw/zinc/86/94/89/383869489.db2.gz KREFOLREHRBMLM-SECBINFHSA-N 1 0 228.336 1.899 50 0 BDAARO OCc1cccc[n+]1Cc1ccccc1 ZINC000000480067 383871760 /nfs/dbraw/zinc/87/17/60/383871760.db2.gz FLQJNJDPLMWZQF-UHFFFAOYSA-N 1 0 200.261 1.515 50 0 BDAARO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ncc[nH]1 ZINC000066593904 383872982 /nfs/dbraw/zinc/87/29/82/383872982.db2.gz BHCCZSRGCUXGPF-SNVBAGLBSA-N 1 0 231.299 1.836 50 0 BDAARO CC(C)n1cnnc1CN(C)[C@H]1CCC[NH2+]C1 ZINC000067489535 383925702 /nfs/dbraw/zinc/92/57/02/383925702.db2.gz MSQNVJGDITVYTE-NSHDSACASA-N 1 0 237.351 1.043 50 0 BDAARO Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CCCNC1 ZINC000067541353 383929795 /nfs/dbraw/zinc/92/97/95/383929795.db2.gz IYBKZBXAYFWAMD-LBPRGKRZSA-N 1 0 236.363 1.301 50 0 BDAARO Nc1cc2c(cc1Br)C[NH2+]C2 ZINC000068591504 384002467 /nfs/dbraw/zinc/00/24/67/384002467.db2.gz WZLBPYWHULGMJR-UHFFFAOYSA-N 1 0 213.078 1.635 50 0 BDAARO CCc1ccccc1OCC[NH2+]CCO ZINC000002932652 383992582 /nfs/dbraw/zinc/99/25/82/383992582.db2.gz UKMIBAWTAAMMPC-UHFFFAOYSA-N 1 0 209.289 1.210 50 0 BDAARO CC(C)[N@H+](CCC(N)=O)CCC(F)(F)F ZINC000067677929 383936404 /nfs/dbraw/zinc/93/64/04/383936404.db2.gz GIOXGWCPORAYFX-UHFFFAOYSA-N 1 0 226.242 1.525 50 0 BDAARO C[NH2+]CCOC[C@H](O)CSc1ccccc1 ZINC000002056664 383949663 /nfs/dbraw/zinc/94/96/63/383949663.db2.gz KMJLFRCREMBWTO-NSHDSACASA-N 1 0 241.356 1.376 50 0 BDAARO O=C(c1ccc[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067868101 383954095 /nfs/dbraw/zinc/95/40/95/383954095.db2.gz WPVUOQUYGBAASW-CYBMUJFWSA-N 1 0 233.315 1.230 50 0 BDAARO Cc1n[nH]cc1CCC[NH2+]C1CCN(C)CC1 ZINC000050182383 383959097 /nfs/dbraw/zinc/95/90/97/383959097.db2.gz SJUAIIVUMMKMNL-UHFFFAOYSA-N 1 0 236.363 1.335 50 0 BDAARO C[NH+](C)CCCNCc1ccc2c(c1)OCO2 ZINC000002297681 383959815 /nfs/dbraw/zinc/95/98/15/383959815.db2.gz BGROOSOHEJHFDU-UHFFFAOYSA-N 1 0 236.315 1.457 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1cc(F)ccc1F ZINC000037228255 383961721 /nfs/dbraw/zinc/96/17/21/383961721.db2.gz IQMMHOQEGBMMTK-ZETCQYMHSA-N 1 0 201.216 1.075 50 0 BDAARO Cc1cc(N2CCC[C@@H]([NH3+])C2)nc(C)n1 ZINC000090225637 384034821 /nfs/dbraw/zinc/03/48/21/384034821.db2.gz JDXUDOOOELZRMX-SNVBAGLBSA-N 1 0 206.293 1.021 50 0 BDAARO [NH3+]Cc1c(Cl)cccc1-n1ccnc1 ZINC000004025631 384035480 /nfs/dbraw/zinc/03/54/80/384035480.db2.gz HBIDFINZRFQFBD-UHFFFAOYSA-N 1 0 207.664 1.984 50 0 BDAARO c1c2ccccc2oc1CN1CC[NH2+]CC1 ZINC000038086661 384068092 /nfs/dbraw/zinc/06/80/92/384068092.db2.gz VCIMEDPTGVLFNB-UHFFFAOYSA-N 1 0 216.284 1.838 50 0 BDAARO C[C@@H]([NH2+]CCO)c1ccc2c(c1)OCCO2 ZINC000004992662 384095525 /nfs/dbraw/zinc/09/55/25/384095525.db2.gz VCIJHPGKYRBWPP-SECBINFHSA-N 1 0 223.272 1.101 50 0 BDAARO Ic1ccc2c(c1)C[NH2+]C2 ZINC000079003720 384121226 /nfs/dbraw/zinc/12/12/26/384121226.db2.gz SQDJKTRBNHCJNQ-UHFFFAOYSA-N 1 0 245.063 1.894 50 0 BDAARO CCO[C@H](C)c1nc(C[NH2+]C)cs1 ZINC000070649340 384128273 /nfs/dbraw/zinc/12/82/73/384128273.db2.gz UINDADFKDFDUOK-SSDOTTSWSA-N 1 0 200.307 1.960 50 0 BDAARO [NH3+][C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H]1C1CC1 ZINC000091518638 384130621 /nfs/dbraw/zinc/13/06/21/384130621.db2.gz MRGCJIFAPWRRGX-NEPJUHHUSA-N 1 0 244.342 1.528 50 0 BDAARO CCC[C@@]1(CO)CCCN(Cc2ncccn2)C1 ZINC000091997957 384158864 /nfs/dbraw/zinc/15/88/64/384158864.db2.gz NEPOFFUSPHNXHI-CQSZACIVSA-N 1 0 249.358 1.851 50 0 BDAARO CO[C@H]1C[NH2+][C@@H](c2nc(-c3cccnc3)c[nH]2)C1 ZINC000040637903 384161139 /nfs/dbraw/zinc/16/11/39/384161139.db2.gz YSCCZNNXGFUKFS-GHMZBOCLSA-N 1 0 244.298 1.521 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1OC ZINC000006703558 384164482 /nfs/dbraw/zinc/16/44/82/384164482.db2.gz BSVRULRQUWFQLQ-NSHDSACASA-N 1 0 239.315 1.564 50 0 BDAARO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](CO)C2)n1 ZINC000071916285 384192861 /nfs/dbraw/zinc/19/28/61/384192861.db2.gz CAYJXGOETSNCSV-ZDUSSCGKSA-N 1 0 237.347 1.204 50 0 BDAARO Nc1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC000072164556 384197574 /nfs/dbraw/zinc/19/75/74/384197574.db2.gz IEMLSBXFXIXMLQ-UHFFFAOYSA-N 1 0 225.295 1.977 50 0 BDAARO CCOc1c(C[NH2+]CCO)cccc1OC ZINC000008253466 384198911 /nfs/dbraw/zinc/19/89/11/384198911.db2.gz WDTMAHMSHDMJQQ-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1OC ZINC000008699294 384209815 /nfs/dbraw/zinc/20/98/15/384209815.db2.gz MWUXRQCQIMGGAO-MNOVXSKESA-N 1 0 235.283 1.171 50 0 BDAARO c1ccc2c(c1)CCN([C@@H]1CC[NH2+]C1)C2 ZINC000042783317 384245364 /nfs/dbraw/zinc/24/53/64/384245364.db2.gz AAWMJVYGGSJHJZ-CYBMUJFWSA-N 1 0 202.301 1.407 50 0 BDAARO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237511368 384257055 /nfs/dbraw/zinc/25/70/55/384257055.db2.gz CTGFMMOQFLSOGD-RYUDHWBXSA-N 1 0 240.347 1.267 50 0 BDAARO C[NH+](C)CCn1cnc2cccc(F)c2c1=O ZINC000043154219 384264521 /nfs/dbraw/zinc/26/45/21/384264521.db2.gz UQPWPDVQAHNDMR-UHFFFAOYSA-N 1 0 235.262 1.097 50 0 BDAARO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nccn1C ZINC000408514339 384265526 /nfs/dbraw/zinc/26/55/26/384265526.db2.gz IZKHNNHQXSJGIC-UTUOFQBUSA-N 1 0 237.347 1.401 50 0 BDAARO c1cnc(SC[C@H]2CCC[NH2+]C2)nc1 ZINC000043471682 384278561 /nfs/dbraw/zinc/27/85/61/384278561.db2.gz LIQVSECNEXHLCJ-VIFPVBQESA-N 1 0 209.318 1.568 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000299739623 384282934 /nfs/dbraw/zinc/28/29/34/384282934.db2.gz QQEHSWQIBKMLQZ-DDHJBXDOSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H](CSC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000097016687 384285814 /nfs/dbraw/zinc/28/58/14/384285814.db2.gz GCPNTOCWYVBWCI-VHSXEESVSA-N 1 0 244.404 1.775 50 0 BDAARO CC[N@@H+]1CCCN(c2nc(C)ns2)[C@H](C)C1 ZINC000408524140 384291078 /nfs/dbraw/zinc/29/10/78/384291078.db2.gz QMSAMGYOBKPHLR-SECBINFHSA-N 1 0 240.376 1.767 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000011754384 384295592 /nfs/dbraw/zinc/29/55/92/384295592.db2.gz GHPBLQMIVDJABJ-LBPRGKRZSA-N 1 0 218.300 1.397 50 0 BDAARO Cc1ccc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000011897063 384300401 /nfs/dbraw/zinc/30/04/01/384300401.db2.gz QLXVGHPFBMCPPT-NSHDSACASA-N 1 0 239.340 1.521 50 0 BDAARO [NH3+]CCOc1cccc(Br)c1 ZINC000011945846 384303528 /nfs/dbraw/zinc/30/35/28/384303528.db2.gz CKQSFXLELCTIFC-UHFFFAOYSA-N 1 0 216.078 1.787 50 0 BDAARO Cc1ccc(OCC(=O)N2CC[C@@H]([NH3+])C2)cc1C ZINC000237694416 384347905 /nfs/dbraw/zinc/34/79/05/384347905.db2.gz IHBIMYHIRLLYPM-GFCCVEGCSA-N 1 0 248.326 1.242 50 0 BDAARO COC(=O)[C@@H](C)SCC[C@@H]1CCC[N@@H+]1C ZINC000097102251 384359832 /nfs/dbraw/zinc/35/98/32/384359832.db2.gz FYZRCKFLMSGIGQ-ZJUUUORDSA-N 1 0 231.361 1.765 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)[C@H](O)C(F)F ZINC000095347347 384368649 /nfs/dbraw/zinc/36/86/49/384368649.db2.gz PTEMBSJXQINEPT-IUCAKERBSA-N 1 0 201.216 1.182 50 0 BDAARO CCCC[NH2+]Cc1ccc(OCCO)cc1 ZINC000013730982 384371879 /nfs/dbraw/zinc/37/18/79/384371879.db2.gz DZBHYWBNZNPZER-UHFFFAOYSA-N 1 0 223.316 1.947 50 0 BDAARO c1ccc(COC[C@@H]2CCC[NH2+]C2)nc1 ZINC000014631144 384398593 /nfs/dbraw/zinc/39/85/93/384398593.db2.gz OTBJIKFLWVWNSJ-LLVKDONJSA-N 1 0 206.289 1.598 50 0 BDAARO O=S(=O)(c1ccc(Cl)cc1)C1C[NH2+]C1 ZINC000095908505 384404226 /nfs/dbraw/zinc/40/42/26/384404226.db2.gz RRTXKBZWMYWHKB-UHFFFAOYSA-N 1 0 231.704 1.086 50 0 BDAARO c1cn(Cc2cccnc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000096032249 384421017 /nfs/dbraw/zinc/42/10/17/384421017.db2.gz YKLCLDVSMQDSLG-ZDUSSCGKSA-N 1 0 242.326 1.793 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccccn1 ZINC000097139299 384378970 /nfs/dbraw/zinc/37/89/70/384378970.db2.gz MBCRACSOWPTXSS-CQSZACIVSA-N 1 0 233.359 1.854 50 0 BDAARO c1ccc2c(c1)C[C@H](C[NH+]1CCOCC1)CCO2 ZINC000095497985 384379519 /nfs/dbraw/zinc/37/95/19/384379519.db2.gz UBXKXFKYQXMAPX-CYBMUJFWSA-N 1 0 247.338 1.960 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@H](F)C1 ZINC000095629881 384384748 /nfs/dbraw/zinc/38/47/48/384384748.db2.gz PWWDRFMQLZQJAY-RKDXNWHRSA-N 1 0 232.299 1.540 50 0 BDAARO CC(C)(C)CC[NH2+][C@]1(CCO)CCOC1 ZINC000309008224 384389814 /nfs/dbraw/zinc/38/98/14/384389814.db2.gz QTELYURVZQZUOV-GFCCVEGCSA-N 1 0 215.337 1.554 50 0 BDAARO CC(C)(C)OC(=O)N1CC2=C(C[NH2+]C2)C1 ZINC000096300826 384451846 /nfs/dbraw/zinc/45/18/46/384451846.db2.gz OXUPNVQFTWUSGY-UHFFFAOYSA-N 1 0 210.277 1.137 50 0 BDAARO CSCCN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000166588332 384431644 /nfs/dbraw/zinc/43/16/44/384431644.db2.gz PRGYACWGTACGAC-LLVKDONJSA-N 1 0 238.356 1.508 50 0 BDAARO CC[C@@H]1CN(c2nccc(N)n2)CC[N@@H+]1C(C)C ZINC000096149810 384437447 /nfs/dbraw/zinc/43/74/47/384437447.db2.gz RXFOOUYSRLLKTC-LLVKDONJSA-N 1 0 249.362 1.368 50 0 BDAARO CCc1ccc(COC[C@H]2CC[NH2+]C2)nc1 ZINC000096663622 384472694 /nfs/dbraw/zinc/47/26/94/384472694.db2.gz WQBYSKJVSBGSST-LBPRGKRZSA-N 1 0 220.316 1.770 50 0 BDAARO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)cc(C)n1 ZINC000097099457 384496441 /nfs/dbraw/zinc/49/64/41/384496441.db2.gz LSLAINSDYBAEMF-ZDUSSCGKSA-N 1 0 247.342 1.475 50 0 BDAARO [NH3+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000019089354 384509065 /nfs/dbraw/zinc/50/90/65/384509065.db2.gz GPTRFBASHRQLSQ-UHFFFAOYSA-N 1 0 204.273 1.268 50 0 BDAARO Cc1cc(C)cc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000019388401 384518698 /nfs/dbraw/zinc/51/86/98/384518698.db2.gz VSVMYSRXFPBWJH-CYBMUJFWSA-N 1 0 232.327 1.785 50 0 BDAARO C[NH+](C)CCNC(=O)[C@@H]1CCc2ccccc2N1 ZINC000019517651 384529149 /nfs/dbraw/zinc/52/91/49/384529149.db2.gz IGBMADMPTFCCGH-ZDUSSCGKSA-N 1 0 247.342 1.091 50 0 BDAARO FC(F)(F)c1ccc2c(n1)NCC[NH2+]C2 ZINC000097758538 384554290 /nfs/dbraw/zinc/55/42/90/384554290.db2.gz SNFHRNWFDGFEFW-UHFFFAOYSA-N 1 0 217.194 1.616 50 0 BDAARO Fc1ccc(N2CCC[NH2+]CC2)cc1F ZINC000049660579 384558675 /nfs/dbraw/zinc/55/86/75/384558675.db2.gz XULKFPPPSRQKJA-UHFFFAOYSA-N 1 0 212.243 1.765 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000050228603 384609220 /nfs/dbraw/zinc/60/92/20/384609220.db2.gz ODUZRYBMECHNAS-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO C[C@@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000020216880 384599661 /nfs/dbraw/zinc/59/96/61/384599661.db2.gz CLWNDLFWAFLCSS-MUWHJKNJSA-N 1 0 230.105 1.830 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C[NH3+])CC1 ZINC000082049863 384645122 /nfs/dbraw/zinc/64/51/22/384645122.db2.gz KUFZKQLFEAITSM-SNVBAGLBSA-N 1 0 240.347 1.982 50 0 BDAARO CCC[C@@H]1CN(c2nccc(N)n2)C[C@H]1[NH+](C)C ZINC000082097784 384648411 /nfs/dbraw/zinc/64/84/11/384648411.db2.gz ZFSDRDFLTOUQIY-GHMZBOCLSA-N 1 0 249.362 1.225 50 0 BDAARO CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021299398 384661646 /nfs/dbraw/zinc/66/16/46/384661646.db2.gz UHLAQCKNCBYTIF-SNVBAGLBSA-N 1 0 228.336 1.851 50 0 BDAARO C[C@H]([NH3+])C1CCN(CC(F)(F)F)CC1 ZINC000082474940 384686192 /nfs/dbraw/zinc/68/61/92/384686192.db2.gz BUKCQFLBXVFHIQ-ZETCQYMHSA-N 1 0 210.243 1.608 50 0 BDAARO [NH3+]CCOc1cccc(C(F)(F)F)n1 ZINC000051870385 384697978 /nfs/dbraw/zinc/69/79/78/384697978.db2.gz BCSCHHVCCKWZJP-UHFFFAOYSA-N 1 0 206.167 1.438 50 0 BDAARO c1ccc(OCCC[NH2+][C@@H]2CCCNC2)cc1 ZINC000052092148 384713233 /nfs/dbraw/zinc/71/32/33/384713233.db2.gz JYSVEBIGDHILDT-CYBMUJFWSA-N 1 0 234.343 1.797 50 0 BDAARO CCOCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647283479 384717596 /nfs/dbraw/zinc/71/75/96/384717596.db2.gz AYIXMGZICWVGOV-LLVKDONJSA-N 1 0 237.347 1.907 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)n1 ZINC000080121023 384722283 /nfs/dbraw/zinc/72/22/83/384722283.db2.gz DRMMIDLVNJQEEW-LBPRGKRZSA-N 1 0 206.289 1.347 50 0 BDAARO [NH3+]Cc1ccc(C(=O)NCc2ccccn2)cc1 ZINC000022218189 384742248 /nfs/dbraw/zinc/74/22/48/384742248.db2.gz REXJXFNSSMMTOO-UHFFFAOYSA-N 1 0 241.294 1.470 50 0 BDAARO CN[C@H](c1ccncc1)[C@H]([NH2+]C)c1ccncc1 ZINC000022577041 384767199 /nfs/dbraw/zinc/76/71/99/384767199.db2.gz PQABABVPLVDKKK-ZIAGYGMSSA-N 1 0 242.326 1.698 50 0 in-vitro BDAARO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1(C)C ZINC000085381289 384768254 /nfs/dbraw/zinc/76/82/54/384768254.db2.gz BIRWEGLMFVJYDE-GHMZBOCLSA-N 1 0 242.363 1.304 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000088059198 384780536 /nfs/dbraw/zinc/78/05/36/384780536.db2.gz MQJVTDWIUHKUQB-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000088058976 384782573 /nfs/dbraw/zinc/78/25/73/384782573.db2.gz AVUAMDISNJCGIG-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000088059058 384782653 /nfs/dbraw/zinc/78/26/53/384782653.db2.gz HDLOIYHQZXFBRS-GFCCVEGCSA-N 1 0 232.327 1.737 50 0 BDAARO CC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000053456932 384791395 /nfs/dbraw/zinc/79/13/95/384791395.db2.gz QEMCOILQJHTAEY-UHFFFAOYSA-N 1 0 232.327 1.741 50 0 BDAARO [NH3+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000026500614 384875558 /nfs/dbraw/zinc/87/55/58/384875558.db2.gz DKZXEFKUTNBVTE-MRVPVSSYSA-N 1 0 205.179 1.395 50 0 BDAARO CC(C)(C)OC(=O)[C@H](N)Cc1ccc(O)cc1 ZINC000055345602 384880197 /nfs/dbraw/zinc/88/01/97/384880197.db2.gz DIGHFXIWRPMGSA-LLVKDONJSA-N 1 0 237.299 1.604 50 0 BDAARO c1ccc2c(c1)CCNC21CC[NH2+]CC1 ZINC000038979799 384891553 /nfs/dbraw/zinc/89/15/53/384891553.db2.gz SSTCSQVWAMVDNW-UHFFFAOYSA-N 1 0 202.301 1.411 50 0 BDAARO CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)C(C)C ZINC000095422879 384912472 /nfs/dbraw/zinc/91/24/72/384912472.db2.gz SOWNJVOVVPZNRA-KBPBESRZSA-N 1 0 242.407 1.979 50 0 BDAARO O[C@@H]1C[N@@H+]2CC[C@H]1[C@@H](c1ccccc1)C2 ZINC000004122124 384928968 /nfs/dbraw/zinc/92/89/68/384928968.db2.gz RBDNCVMVYPEQHO-YNEHKIRRSA-N 1 0 203.285 1.467 50 0 BDAARO C[C@H]([NH3+])c1cccc(N2CCCC2=O)c1 ZINC000057217551 384932154 /nfs/dbraw/zinc/93/21/54/384932154.db2.gz PHDOEZIQADMSJW-VIFPVBQESA-N 1 0 204.273 1.833 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)[C@H]1COc2ccccc21 ZINC000070393849 384995276 /nfs/dbraw/zinc/99/52/76/384995276.db2.gz ORRFIMOCGYGGJR-PWSUYJOCSA-N 1 0 246.310 1.112 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000019509375 384997327 /nfs/dbraw/zinc/99/73/27/384997327.db2.gz GBPUUOZEVUWENV-GFCCVEGCSA-N 1 0 238.306 1.468 50 0 BDAARO CC(C)(C)OC(=O)NC1([C@H]2CC[NH2+]C2)CC1 ZINC000059718807 385055983 /nfs/dbraw/zinc/05/59/83/385055983.db2.gz QJTCVIHNVLALCL-VIFPVBQESA-N 1 0 226.320 1.653 50 0 BDAARO O=C1N(CC2CCC2)CCC[C@]12CC[NH2+]C2 ZINC000072146298 385028253 /nfs/dbraw/zinc/02/82/53/385028253.db2.gz BUCXNTUGTPJHFZ-CYBMUJFWSA-N 1 0 222.332 1.389 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000005543580 385037855 /nfs/dbraw/zinc/03/78/55/385037855.db2.gz USQYCMFPLFGORN-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO O=C1CC[N@H+](Cc2ccccc2)CCOCCN1 ZINC000257176820 385186392 /nfs/dbraw/zinc/18/63/92/385186392.db2.gz AQLPFNRWWVLOMS-UHFFFAOYSA-N 1 0 248.326 1.025 50 0 BDAARO CCCCN(C)CC[NH2+][C@H]1CCSC1 ZINC000096477512 385196630 /nfs/dbraw/zinc/19/66/30/385196630.db2.gz SANASNARJZULAQ-NSHDSACASA-N 1 0 216.394 1.813 50 0 BDAARO Cc1ccc(N)cc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062965704 385199025 /nfs/dbraw/zinc/19/90/25/385199025.db2.gz LUAAVCXAZNVMPC-GFCCVEGCSA-N 1 0 219.332 1.718 50 0 BDAARO c1ccc2[nH]c(SCC3=[NH+]CCN3)nc2c1 ZINC000003158113 385223255 /nfs/dbraw/zinc/22/32/55/385223255.db2.gz SZMWMLQIBNARCQ-UHFFFAOYSA-N 1 0 232.312 1.657 50 0 BDAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000034225717 385275676 /nfs/dbraw/zinc/27/56/76/385275676.db2.gz HJUZGKGDCUOVML-DTWKUNHWSA-N 1 0 214.309 1.509 50 0 BDAARO Cc1ccc(F)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000180348579 385389148 /nfs/dbraw/zinc/38/91/48/385389148.db2.gz VBDOMXURFBPMAM-CYBMUJFWSA-N 1 0 239.290 1.375 50 0 BDAARO [NH3+]C[C@@H]1Cn2cccc2CN1Cc1ccccc1 ZINC000169676471 385417296 /nfs/dbraw/zinc/41/72/96/385417296.db2.gz MIRFUCXIVDPTEX-OAHLLOKOSA-N 1 0 241.338 1.831 50 0 BDAARO C[NH+](C)C1CCN(c2cc(F)ccn2)CC1 ZINC000169725413 385418195 /nfs/dbraw/zinc/41/81/95/385418195.db2.gz BXNLUNXLTQTNPT-UHFFFAOYSA-N 1 0 223.295 1.751 50 0 BDAARO C[C@H](C[NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000054345329 385622679 /nfs/dbraw/zinc/62/26/79/385622679.db2.gz LQTLXNWIMWXBNC-ZCFIWIBFSA-N 1 0 225.317 1.165 50 0 BDAARO CC(C)(C)C[NH2+]CC(=O)NCc1ccco1 ZINC000066971156 385625323 /nfs/dbraw/zinc/62/53/23/385625323.db2.gz KMTIMDXVCHNQFZ-UHFFFAOYSA-N 1 0 224.304 1.532 50 0 BDAARO C[NH+](C)CCNC(=O)Nc1ccccc1 ZINC000015587481 385731800 /nfs/dbraw/zinc/73/18/00/385731800.db2.gz ZXMKJJBVCQPHGU-UHFFFAOYSA-N 1 0 207.277 1.370 50 0 BDAARO c1cn(C[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000216546616 385868126 /nfs/dbraw/zinc/86/81/26/385868126.db2.gz GQOIXIXHFLESDJ-LBPRGKRZSA-N 1 0 245.330 1.518 50 0 BDAARO CN1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000216715769 385871477 /nfs/dbraw/zinc/87/14/77/385871477.db2.gz QNZWMYOSKDNUTN-LBPRGKRZSA-N 1 0 228.380 1.467 50 0 BDAARO COC[C@H](C)NC(=O)C[NH+]1CCCCCC1 ZINC000058049899 385945598 /nfs/dbraw/zinc/94/55/98/385945598.db2.gz GZNBILGRNJCJLF-NSHDSACASA-N 1 0 228.336 1.014 50 0 BDAARO C[NH2+][C@H](C)CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC000261808577 386180279 /nfs/dbraw/zinc/18/02/79/386180279.db2.gz SLXNSRVPHLASHZ-SECBINFHSA-N 1 0 246.314 1.209 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)c2cc(F)c(F)c(F)c2)C1 ZINC000063008284 386230755 /nfs/dbraw/zinc/23/07/55/386230755.db2.gz MINYWIWCNPGGJV-ZETCQYMHSA-N 1 0 244.216 1.277 50 0 BDAARO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000225449007 386193651 /nfs/dbraw/zinc/19/36/51/386193651.db2.gz CVRRCKSRMNPDFG-NWDGAFQWSA-N 1 0 240.347 1.108 50 0 BDAARO Cc1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000044941821 386357018 /nfs/dbraw/zinc/35/70/18/386357018.db2.gz KLPOECFXQIGEOI-WDEREUQCSA-N 1 0 249.314 1.340 50 0 BDAARO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000053253009 386563217 /nfs/dbraw/zinc/56/32/17/386563217.db2.gz HJPFYSXYTOMQGY-AWEZNQCLSA-N 1 0 246.354 1.714 50 0 BDAARO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)ccc1F ZINC000063055873 386656147 /nfs/dbraw/zinc/65/61/47/386656147.db2.gz RLELOEKOPJCGDB-JTQLQIEISA-N 1 0 222.263 1.226 50 0 BDAARO O=C1NCCC[C@H]1[NH+]1Cc2ccccc2C1 ZINC000336509318 386665278 /nfs/dbraw/zinc/66/52/78/386665278.db2.gz ZHAUJNSGFUBGJX-GFCCVEGCSA-N 1 0 216.284 1.281 50 0 BDAARO Cn1cccc1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000585129881 386685113 /nfs/dbraw/zinc/68/51/13/386685113.db2.gz APTSWXIKAXDCJX-NEPJUHHUSA-N 1 0 249.358 1.484 50 0 BDAARO COc1c(C)cnc(CN2CC[C@H](C[NH3+])C2)c1C ZINC000050249114 386738651 /nfs/dbraw/zinc/73/86/51/386738651.db2.gz RQSPWCBOFYBFSI-GFCCVEGCSA-N 1 0 249.358 1.488 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000053145041 386723631 /nfs/dbraw/zinc/72/36/31/386723631.db2.gz BGTDDHKBFAQYGP-CYBMUJFWSA-N 1 0 232.327 1.406 50 0 BDAARO C[NH+](C)C1CN(C(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC000335537696 386742728 /nfs/dbraw/zinc/74/27/28/386742728.db2.gz AEQQPWJFPJRELC-NXEZZACHSA-N 1 0 228.311 1.287 50 0 BDAARO C[C@@](CO)([NH2+]Cc1ncc[nH]1)C1CCCCC1 ZINC000330661832 386816792 /nfs/dbraw/zinc/81/67/92/386816792.db2.gz CNPFKQOUMSSDQQ-ZDUSSCGKSA-N 1 0 237.347 1.831 50 0 BDAARO CCN(C)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000087645612 386944683 /nfs/dbraw/zinc/94/46/83/386944683.db2.gz ZOVRAVIXLZRVLR-JQWIXIFHSA-N 1 0 220.316 1.801 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2cccnc2)c1 ZINC000053534705 387174914 /nfs/dbraw/zinc/17/49/14/387174914.db2.gz WKCPCOXVUCZCLF-UHFFFAOYSA-N 1 0 216.288 1.376 50 0 BDAARO COCc1noc(C[NH2+][C@H]2CCCC2(C)C)n1 ZINC000191869465 387185865 /nfs/dbraw/zinc/18/58/65/387185865.db2.gz SVMWYCQKVZPMBS-VIFPVBQESA-N 1 0 239.319 1.884 50 0 BDAARO C[C@H](C(=O)NC1CC1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229703121 387195335 /nfs/dbraw/zinc/19/53/35/387195335.db2.gz QWNJCRWEAKARAU-GMTAPVOTSA-N 1 0 224.348 1.631 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]C[C@H]2CCCCO2)c1 ZINC000069464390 387349574 /nfs/dbraw/zinc/34/95/74/387349574.db2.gz VXCHKZTYOUJLSL-QWHCGFSZSA-N 1 0 237.347 1.739 50 0 BDAARO CC[N@H+](CCN1CCOCC1)[C@@H](C)C(C)C ZINC000077655298 387451755 /nfs/dbraw/zinc/45/17/55/387451755.db2.gz FTFJNNJWVKJBOI-ZDUSSCGKSA-N 1 0 228.380 1.685 50 0 BDAARO COC(=O)c1cc([C@H]2CCC[NH2+]2)ccc1OC ZINC000026470151 387392066 /nfs/dbraw/zinc/39/20/66/387392066.db2.gz AXDIHIAKNYUVPD-LLVKDONJSA-N 1 0 235.283 1.906 50 0 BDAARO CC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000575607510 387395756 /nfs/dbraw/zinc/39/57/56/387395756.db2.gz PLXGBXZVPCXZSL-HUUCEWRRSA-N 1 0 244.338 1.597 50 0 BDAARO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCO2)n1 ZINC000103342072 387397793 /nfs/dbraw/zinc/39/77/93/387397793.db2.gz HQSXHGIEXVQPEY-ZWNOBZJWSA-N 1 0 236.315 1.753 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000052945329 387500676 /nfs/dbraw/zinc/50/06/76/387500676.db2.gz AYPSTONLESTKPI-NSHDSACASA-N 1 0 238.718 1.442 50 0 BDAARO COC[C@@H](O)CCNc1cccc(C)[nH+]1 ZINC000158289065 387478893 /nfs/dbraw/zinc/47/88/93/387478893.db2.gz DQUVJVJXNZSIHV-JTQLQIEISA-N 1 0 210.277 1.199 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]1(C)C[NH3+] ZINC000238106222 387598048 /nfs/dbraw/zinc/59/80/48/387598048.db2.gz UKKWLYCFJANZTK-JTQLQIEISA-N 1 0 200.282 1.345 50 0 BDAARO C[NH+](C)CCNC(=S)NCc1cccs1 ZINC000006226464 387612995 /nfs/dbraw/zinc/61/29/95/387612995.db2.gz WUZIGTBKODRCHQ-UHFFFAOYSA-N 1 0 243.401 1.274 50 0 BDAARO CC(C)c1nc(CN2CC[C@H]3C[NH2+]C[C@H]32)co1 ZINC000426445459 387569424 /nfs/dbraw/zinc/56/94/24/387569424.db2.gz GVGXBKUBVFKCPC-CMPLNLGQSA-N 1 0 235.331 1.592 50 0 BDAARO C[S@](=O)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000089493107 387639217 /nfs/dbraw/zinc/63/92/17/387639217.db2.gz CPSWFXDQDGIOGN-CQSZACIVSA-N 1 0 231.748 1.808 50 0 BDAARO C[NH+](C)CCCNc1ncnc2ccccc21 ZINC000001771415 387651827 /nfs/dbraw/zinc/65/18/27/387651827.db2.gz JNHMKCQWOQWIIM-UHFFFAOYSA-N 1 0 230.315 1.993 50 0 BDAARO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224283309 387938117 /nfs/dbraw/zinc/93/81/17/387938117.db2.gz XMHIECMZJPJPCQ-CMPLNLGQSA-N 1 0 218.300 1.350 50 0 BDAARO Nc1cc[nH+]c(-c2ccc(CO)cc2)c1 ZINC000065454541 387945376 /nfs/dbraw/zinc/94/53/76/387945376.db2.gz AVLKFEQKNPYPDU-UHFFFAOYSA-N 1 0 200.241 1.823 50 0 BDAARO CC1(C)[C@H]([NH2+]C2CCC(O)CC2)[C@@H]2CCO[C@@H]21 ZINC000085629288 388093687 /nfs/dbraw/zinc/09/36/87/388093687.db2.gz TVXCGIPTSKSCQM-WJFHSMSDSA-N 1 0 239.359 1.693 50 0 BDAARO CC[C@](C)(CCO)[NH2+]Cc1cnn(C)c1 ZINC000166048595 388253822 /nfs/dbraw/zinc/25/38/22/388253822.db2.gz YIZMCWDABBGZLW-LLVKDONJSA-N 1 0 211.309 1.061 50 0 BDAARO OCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000170088132 388258274 /nfs/dbraw/zinc/25/82/74/388258274.db2.gz FGBTZOZSGKRESI-CYBMUJFWSA-N 1 0 238.306 1.958 50 0 BDAARO Cc1cc(C(=O)N2CC[C@@H](C[NH3+])C2)ccc1F ZINC000063058175 177764574 /nfs/dbraw/zinc/76/45/74/177764574.db2.gz SLNBZUMPLCJKRQ-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO C[C@@H](C[NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000162275834 388349535 /nfs/dbraw/zinc/34/95/35/388349535.db2.gz XKVSEANGMROMOD-ZDUSSCGKSA-N 1 0 249.354 1.921 50 0 BDAARO CC(C)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000057287986 388356303 /nfs/dbraw/zinc/35/63/03/388356303.db2.gz YAYKLCBHEWPFDV-CQSZACIVSA-N 1 0 248.370 1.932 50 0 BDAARO Cc1ccnc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000089701910 388361584 /nfs/dbraw/zinc/36/15/84/388361584.db2.gz KFZXUQOAMHIKAQ-STQMWFEESA-N 1 0 246.358 1.706 50 0 BDAARO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000089909642 388371213 /nfs/dbraw/zinc/37/12/13/388371213.db2.gz PSTYTNIKHJPIFB-NTZNESFSSA-N 1 0 241.331 1.175 50 0 BDAARO [NH3+][C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 ZINC000252498655 388375112 /nfs/dbraw/zinc/37/51/12/388375112.db2.gz RHGSGOTWTNYDPT-KYZUINATSA-N 1 0 211.240 1.264 50 0 BDAARO CC[C@]1(C(=O)NC[C@H](C)SC)CC[NH2+]C1 ZINC000122372487 388383531 /nfs/dbraw/zinc/38/35/31/388383531.db2.gz JJQFPSZRFOBAOO-ONGXEEELSA-N 1 0 230.377 1.244 50 0 BDAARO CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000067412829 388406165 /nfs/dbraw/zinc/40/61/65/388406165.db2.gz AKOFIUIWCSTBIF-GFCCVEGCSA-N 1 0 212.337 1.491 50 0 BDAARO CCCCC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161111918 388454764 /nfs/dbraw/zinc/45/47/64/388454764.db2.gz NPGRIAATWHCFDQ-MNOVXSKESA-N 1 0 228.336 1.141 50 0 BDAARO C[C@H]([NH2+]Cc1cc[nH]n1)[C@H](C)n1cccn1 ZINC000069372512 388415579 /nfs/dbraw/zinc/41/55/79/388415579.db2.gz PAJSRQVSEIWALS-UWVGGRQHSA-N 1 0 219.292 1.346 50 0 BDAARO CC[C@@H](CNC(=O)c1ccco1)[NH+]1CCCC1 ZINC000040522390 388420025 /nfs/dbraw/zinc/42/00/25/388420025.db2.gz ZBHLCIWEWMSIOJ-NSHDSACASA-N 1 0 236.315 1.884 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000040522539 388420073 /nfs/dbraw/zinc/42/00/73/388420073.db2.gz BYWSGQIFCQSQOX-RDQDRAATSA-N 1 0 224.348 1.943 50 0 BDAARO Cn1cc([C@@H]2CCC[N@@H+]2CC(C)(C)O)cn1 ZINC000069632378 388423494 /nfs/dbraw/zinc/42/34/94/388423494.db2.gz XMSKEJUEDAIMDJ-NSHDSACASA-N 1 0 223.320 1.328 50 0 BDAARO Cc1csc(N2CC[N@@H+](C)C[C@@H]2C)n1 ZINC000069874874 388428180 /nfs/dbraw/zinc/42/81/80/388428180.db2.gz PZQGAULJPYBCJX-VIFPVBQESA-N 1 0 211.334 1.592 50 0 BDAARO Cc1ccoc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000070175883 388433755 /nfs/dbraw/zinc/43/37/55/388433755.db2.gz FCOSDWYCFIZSTA-KOLCDFICSA-N 1 0 236.315 1.787 50 0 BDAARO CO[C@@H]1C[C@@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000308399175 388437895 /nfs/dbraw/zinc/43/78/95/388437895.db2.gz UYWLCTIRLWUZQC-VXGBXAGGSA-N 1 0 235.331 1.430 50 0 BDAARO C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CN(C)CCO1 ZINC000195558695 388484073 /nfs/dbraw/zinc/48/40/73/388484073.db2.gz KNWZWXIIIKKQEL-SRVKXCTJSA-N 1 0 244.404 1.191 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)o1 ZINC000195563994 388488293 /nfs/dbraw/zinc/48/82/93/388488293.db2.gz WGADTWHVHVKMRK-SCZZXKLOSA-N 1 0 227.308 1.436 50 0 BDAARO Fc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000095067831 388591194 /nfs/dbraw/zinc/59/11/94/388591194.db2.gz YQBRLJWIIUWSJF-GFCCVEGCSA-N 1 0 208.280 1.667 50 0 BDAARO CSC[C@](C)(O)C[NH2+]C[C@H]1CCSC1 ZINC000225610805 388594852 /nfs/dbraw/zinc/59/48/52/388594852.db2.gz AAUYLQJLSFCXAE-NXEZZACHSA-N 1 0 235.418 1.443 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000008699281 388670210 /nfs/dbraw/zinc/67/02/10/388670210.db2.gz YFQZRSSPZDVWSK-RYUDHWBXSA-N 1 0 235.283 1.171 50 0 BDAARO COC(=O)c1ccc2c(c1)C(C)(C)C[NH2+]C2 ZINC000091351960 388626768 /nfs/dbraw/zinc/62/67/68/388626768.db2.gz ULHZBWVANZNSPH-UHFFFAOYSA-N 1 0 219.284 1.854 50 0 BDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCO1 ZINC000066138378 388629871 /nfs/dbraw/zinc/62/98/71/388629871.db2.gz WXMKMTAOMOUXOG-MNOVXSKESA-N 1 0 228.336 1.012 50 0 BDAARO C[C@]1(CO)CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000252550406 388645265 /nfs/dbraw/zinc/64/52/65/388645265.db2.gz SOCSEMDYGKVARP-STQMWFEESA-N 1 0 243.347 1.234 50 0 BDAARO Cc1ccc(NC(=O)C[C@H]2C[NH2+]CCO2)c(C)n1 ZINC000094665922 388648503 /nfs/dbraw/zinc/64/85/03/388648503.db2.gz BHXYRASQQBMSSY-NSHDSACASA-N 1 0 249.314 1.015 50 0 BDAARO CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000089929963 388741989 /nfs/dbraw/zinc/74/19/89/388741989.db2.gz HKQHAESPQHGZSS-AWEZNQCLSA-N 1 0 238.375 1.977 50 0 BDAARO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCNC2=O)C1 ZINC000249106793 388709526 /nfs/dbraw/zinc/70/95/26/388709526.db2.gz KDTSCLRFQHVKFR-TUAOUCFPSA-N 1 0 224.348 1.633 50 0 BDAARO CC[N@H+](CCNC(=O)OC(C)(C)C)C1CC1 ZINC000095953711 388793352 /nfs/dbraw/zinc/79/33/52/388793352.db2.gz GOMQCTGMMZTAQG-UHFFFAOYSA-N 1 0 228.336 1.995 50 0 BDAARO C[NH+](C)C[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000095959279 388793912 /nfs/dbraw/zinc/79/39/12/388793912.db2.gz TWPDEFQXLNJHNI-CYBMUJFWSA-N 1 0 238.375 1.977 50 0 BDAARO CN(C)CC[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000021149450 388798473 /nfs/dbraw/zinc/79/84/73/388798473.db2.gz DHCDJPNRPKXFHT-NSHDSACASA-N 1 0 214.353 1.343 50 0 BDAARO C[C@@]([NH3+])(C(=O)Nc1cc(F)ccc1O)C1CC1 ZINC000095996170 388801233 /nfs/dbraw/zinc/80/12/33/388801233.db2.gz OXBPBYBFYDBRIR-LBPRGKRZSA-N 1 0 238.262 1.597 50 0 BDAARO C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CCCOC1 ZINC000095468519 388775016 /nfs/dbraw/zinc/77/50/16/388775016.db2.gz DMGVYWFEIWNYTB-OLZOCXBDSA-N 1 0 237.347 1.678 50 0 BDAARO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1ccco1 ZINC000283840547 388825365 /nfs/dbraw/zinc/82/53/65/388825365.db2.gz FNHHTAVDDHQMHA-CMPLNLGQSA-N 1 0 241.331 1.527 50 0 BDAARO CCC[C@H](C)[NH+]1CCN(C(=O)CCOC)CC1 ZINC000252488395 388861485 /nfs/dbraw/zinc/86/14/85/388861485.db2.gz IRADQXFKGXQARF-LBPRGKRZSA-N 1 0 242.363 1.356 50 0 BDAARO Cc1ccc(OCCC[NH+](C)C)c(N)c1 ZINC000014629558 224477990 /nfs/dbraw/zinc/47/79/90/224477990.db2.gz FBOCALVFRHALTF-UHFFFAOYSA-N 1 0 208.305 1.908 50 0 BDAARO Cc1cc(N2CC[NH+](C)CC2)ccc1N ZINC000003887926 132315773 /nfs/dbraw/zinc/31/57/73/132315773.db2.gz DTEFRDRZJUCTLM-UHFFFAOYSA-N 1 0 205.305 1.329 50 0 BDAARO Cc1nc2ccccc2nc1N1CC[NH2+]CC1 ZINC000005029356 132317370 /nfs/dbraw/zinc/31/73/70/132317370.db2.gz IPWZRMZLVSDBKQ-UHFFFAOYSA-N 1 0 228.299 1.348 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000011957594 132321159 /nfs/dbraw/zinc/32/11/59/132321159.db2.gz HINSYONMYUFBCT-VIFPVBQESA-N 1 0 204.273 1.313 50 0 BDAARO Cc1csc2c1ncnc2N1CC[NH2+]CC1 ZINC000015021064 132322760 /nfs/dbraw/zinc/32/27/60/132322760.db2.gz MNZBSDAMHRPBLJ-UHFFFAOYSA-N 1 0 234.328 1.409 50 0 BDAARO O=C(C1CC[NH2+]CC1)N1CCCc2ccccc21 ZINC000019411245 132324625 /nfs/dbraw/zinc/32/46/25/132324625.db2.gz KFQIOICJRBZETB-UHFFFAOYSA-N 1 0 244.338 1.965 50 0 BDAARO C[C@@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000021954105 132331996 /nfs/dbraw/zinc/33/19/96/132331996.db2.gz UJKIIDCDVROYAU-SNVBAGLBSA-N 1 0 205.305 1.777 50 0 BDAARO FC(F)Oc1ccccc1N1CC[NH2+]CC1 ZINC000037483274 132344507 /nfs/dbraw/zinc/34/45/07/132344507.db2.gz NVYIZXQMKPBIAD-UHFFFAOYSA-N 1 0 228.242 1.698 50 0 BDAARO [NH3+][C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000068593383 132390440 /nfs/dbraw/zinc/39/04/40/132390440.db2.gz CJSDQGAHEZCMEI-SNVBAGLBSA-N 1 0 208.236 1.280 50 0 BDAARO c1cnnc(N2CCC[C@H]([NH2+]CC3CC3)C2)c1 ZINC000069807944 132391394 /nfs/dbraw/zinc/39/13/94/132391394.db2.gz WERBDHYMCBRGOY-LBPRGKRZSA-N 1 0 232.331 1.445 50 0 BDAARO [NH3+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000070061730 132391570 /nfs/dbraw/zinc/39/15/70/132391570.db2.gz XVBRVRUTRBSVGR-SECBINFHSA-N 1 0 224.691 1.794 50 0 BDAARO CC/C=C\CCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000095358401 134440933 /nfs/dbraw/zinc/44/09/33/134440933.db2.gz WMLRUCHOWSGYRR-VSQXVHSFSA-N 1 0 234.347 1.929 50 0 BDAARO C[C@@H](O)C[NH2+]CCOc1ccccc1F ZINC000002879985 134846986 /nfs/dbraw/zinc/84/69/86/134846986.db2.gz ZNYPREBZIWARED-SECBINFHSA-N 1 0 213.252 1.175 50 0 BDAARO Nc1nccc(-c2cccn2C[C@@H]2CC[NH2+]C2)n1 ZINC000299803756 135207046 /nfs/dbraw/zinc/20/70/46/135207046.db2.gz AZROCNAOJKAKSE-SNVBAGLBSA-N 1 0 243.314 1.137 50 0 BDAARO Cc1c(F)cccc1NC(=O)C1(C)C[NH2+]C1 ZINC000335018381 135406688 /nfs/dbraw/zinc/40/66/88/135406688.db2.gz GZQNQHPBSNZBFQ-UHFFFAOYSA-N 1 0 222.263 1.682 50 0 BDAARO Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nn1 ZINC000585098267 487579128 /nfs/dbraw/zinc/57/91/28/487579128.db2.gz OJJSLKCRWIZUKK-GFCCVEGCSA-N 1 0 232.331 1.460 50 0 BDAARO CC(=O)Nc1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773019 322908619 /nfs/dbraw/zinc/90/86/19/322908619.db2.gz MVDOCXMYBDMFPC-NSHDSACASA-N 1 0 234.299 1.633 50 0 BDAARO CC(C)OC[C@@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000225718057 167255464 /nfs/dbraw/zinc/25/54/64/167255464.db2.gz GARZSNNVODULDG-MNOVXSKESA-N 1 0 233.377 1.258 50 0 BDAARO Brc1cccc(OC2C[NH2+]C2)c1 ZINC000042769918 166102017 /nfs/dbraw/zinc/10/20/17/166102017.db2.gz JBPIMCBLGQPQIO-UHFFFAOYSA-N 1 0 228.089 1.800 50 0 BDAARO Brc1cnn(CC[NH+]2CCCC2)c1 ZINC000038074786 166106002 /nfs/dbraw/zinc/10/60/02/166106002.db2.gz VFWBITMEGMPKEF-UHFFFAOYSA-N 1 0 244.136 1.741 50 0 BDAARO CCN(CC)C(=O)OC[C@H]1CCCC[NH2+]1 ZINC000086229880 169755438 /nfs/dbraw/zinc/75/54/38/169755438.db2.gz MAXSIEUAVJCGCR-SNVBAGLBSA-N 1 0 214.309 1.607 50 0 BDAARO CC(=O)c1ccc(-[n+]2ccn(C)c2)cc1 ZINC000001402348 166451863 /nfs/dbraw/zinc/45/18/63/166451863.db2.gz PLTSZWOPGWNHBT-UHFFFAOYSA-N 1 0 201.249 1.504 50 0 BDAARO CC(C)C(=O)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000299759656 166711394 /nfs/dbraw/zinc/71/13/94/166711394.db2.gz NUMYOXYDBFIMOY-GHMZBOCLSA-N 1 0 210.321 1.243 50 0 BDAARO C[C@H](C(=O)NC1CCCC1)[NH+]1CCCCC1 ZINC000040460109 410874222 /nfs/dbraw/zinc/87/42/22/410874222.db2.gz BYHGPQHFCNKHAS-LLVKDONJSA-N 1 0 224.348 1.920 50 0 BDAARO CC[NH+](CC)CCNC(=O)[C@@H]1Cc2ccccc21 ZINC000071916667 169779462 /nfs/dbraw/zinc/77/94/62/169779462.db2.gz APQHFBHFZCFRAJ-CQSZACIVSA-N 1 0 246.354 1.784 50 0 BDAARO CC(C)NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000032652060 167054995 /nfs/dbraw/zinc/05/49/95/167054995.db2.gz MEIFIRYMCCHMPB-QWRGUYRKSA-N 1 0 212.337 1.489 50 0 BDAARO CC(C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000079016768 167102164 /nfs/dbraw/zinc/10/21/64/167102164.db2.gz SFFZEOKALAZPET-UHFFFAOYSA-N 1 0 216.325 1.899 50 0 BDAARO CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069586997 167232402 /nfs/dbraw/zinc/23/24/02/167232402.db2.gz JEUAUMTTZSWWEY-VXGBXAGGSA-N 1 0 215.337 1.647 50 0 BDAARO CC(C)OCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106669747 167232866 /nfs/dbraw/zinc/23/28/66/167232866.db2.gz JEUAUMTTZSWWEY-NWDGAFQWSA-N 1 0 215.337 1.647 50 0 BDAARO CC(C)OC[C@H](O)CN(C)Cc1nccs1 ZINC000267071720 167267350 /nfs/dbraw/zinc/26/73/50/167267350.db2.gz VVYIONRPDQHXMD-SNVBAGLBSA-N 1 0 244.360 1.361 50 0 BDAARO CC(C)OC[C@H](O)C[NH+]1CCCCC1 ZINC000004991168 167267531 /nfs/dbraw/zinc/26/75/31/167267531.db2.gz CXKIBZQUUMGOCK-LLVKDONJSA-N 1 0 201.310 1.258 50 0 BDAARO CC(C)[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000011593531 167396785 /nfs/dbraw/zinc/39/67/85/167396785.db2.gz GKTZYOHYPBQYAX-MRVPVSSYSA-N 1 0 202.298 1.494 50 0 BDAARO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC1 ZINC000040652882 169795012 /nfs/dbraw/zinc/79/50/12/169795012.db2.gz BFXUPIIJEILSLO-VIFPVBQESA-N 1 0 213.325 1.178 50 0 BDAARO O=C(CC[NH+]1CCCCCC1)NC1CC1 ZINC000045734823 411148850 /nfs/dbraw/zinc/14/88/50/411148850.db2.gz HMVNANWOCJENMJ-UHFFFAOYSA-N 1 0 210.321 1.531 50 0 BDAARO CC1CCC([NH+]2CCN(C=O)CC2)CC1 ZINC000000279796 168160733 /nfs/dbraw/zinc/16/07/33/168160733.db2.gz DLNQLNMYEVVRKD-UHFFFAOYSA-N 1 0 210.321 1.339 50 0 BDAARO CC1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000032751248 168172561 /nfs/dbraw/zinc/17/25/61/168172561.db2.gz QKVIBHKSZFOTQU-UHFFFAOYSA-N 1 0 224.348 1.731 50 0 BDAARO CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000095864178 168176273 /nfs/dbraw/zinc/17/62/73/168176273.db2.gz UAODYYGGWKKBBG-CYBMUJFWSA-N 1 0 232.327 1.945 50 0 BDAARO CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000042975676 168177844 /nfs/dbraw/zinc/17/78/44/168177844.db2.gz KAUCMXZXFDZZOP-UHFFFAOYSA-N 1 0 238.375 1.977 50 0 BDAARO CC1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000040461077 168178231 /nfs/dbraw/zinc/17/82/31/168178231.db2.gz OWZATCSEXBXEGH-LBPRGKRZSA-N 1 0 240.347 1.014 50 0 BDAARO CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000012946805 168185355 /nfs/dbraw/zinc/18/53/55/168185355.db2.gz PMHGSFSYBYGAHH-CYBMUJFWSA-N 1 0 232.327 1.945 50 0 BDAARO O=C(c1ccco1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299762534 411488120 /nfs/dbraw/zinc/48/81/20/411488120.db2.gz MYWJJYRUTCJGKA-MNOVXSKESA-N 1 0 234.299 1.494 50 0 BDAARO CC[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000336256411 170040719 /nfs/dbraw/zinc/04/07/19/170040719.db2.gz AGUMVWMAWYHFHF-OLZOCXBDSA-N 1 0 223.291 1.806 50 0 BDAARO CC[N@@H+]1C[C@H](O)[C@@H](Oc2ccccc2)C1 ZINC000071773789 170041101 /nfs/dbraw/zinc/04/11/01/170041101.db2.gz XHMHZEARAIFOJZ-RYUDHWBXSA-N 1 0 207.273 1.130 50 0 BDAARO CC[NH2+]CCNC(=O)Cc1cccc(C)c1 ZINC000054263099 170114467 /nfs/dbraw/zinc/11/44/67/170114467.db2.gz KJJCDKSFDHPBMW-UHFFFAOYSA-N 1 0 220.316 1.263 50 0 BDAARO CC[NH2+]CCNC(=O)c1ccc(F)c(C)c1 ZINC000063058199 170115817 /nfs/dbraw/zinc/11/58/17/170115817.db2.gz RJSIRKWKYWHTNH-UHFFFAOYSA-N 1 0 224.279 1.473 50 0 BDAARO CC[NH2+]C[C@H](O)COCc1ccccc1OC ZINC000002641902 170121833 /nfs/dbraw/zinc/12/18/33/170121833.db2.gz MABNLINZIPNBSN-LBPRGKRZSA-N 1 0 239.315 1.182 50 0 BDAARO CC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000064034334 170122812 /nfs/dbraw/zinc/12/28/12/170122812.db2.gz RKMARTBPQCEJTJ-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO CC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000058404961 170129750 /nfs/dbraw/zinc/12/97/50/170129750.db2.gz RPWCIFRHBIHBRX-UHFFFAOYSA-N 1 0 216.288 1.592 50 0 BDAARO CC[NH2+][C@H](C)Cc1ccc2c(c1)OCO2 ZINC000000403024 170158098 /nfs/dbraw/zinc/15/80/98/170158098.db2.gz PVXVWWANJIWJOO-SECBINFHSA-N 1 0 207.273 1.956 50 0 in-man BDAARO CCOC(=O)C(CCC[NH+](C)C)C(=O)OCC ZINC000002166421 170188331 /nfs/dbraw/zinc/18/83/31/170188331.db2.gz HPJWCZSMLHGECP-UHFFFAOYSA-N 1 0 245.319 1.071 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccccc1C ZINC000002582538 170230846 /nfs/dbraw/zinc/23/08/46/170230846.db2.gz MPRYVFLHNZNJLM-LLVKDONJSA-N 1 0 207.273 1.948 50 0 BDAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000253392902 170269825 /nfs/dbraw/zinc/26/98/25/170269825.db2.gz ZOLCUZCTGCRQPN-WYUUTHIRSA-N 1 0 243.347 1.731 50 0 BDAARO CCOC(=O)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000039105565 170273082 /nfs/dbraw/zinc/27/30/82/170273082.db2.gz WSVIBGQDYIRANC-LLVKDONJSA-N 1 0 207.273 1.600 50 0 BDAARO CCOC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000036220487 170293814 /nfs/dbraw/zinc/29/38/14/170293814.db2.gz HLYOOHYZCZJODO-UHFFFAOYSA-N 1 0 211.286 1.571 50 0 BDAARO CCOC(CN1CCOC2(CCC2)C1)OCC ZINC000097161683 170314705 /nfs/dbraw/zinc/31/47/05/170314705.db2.gz VUDAGNQQCNOVRU-UHFFFAOYSA-N 1 0 243.347 1.640 50 0 BDAARO CCOCCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000328598760 170390139 /nfs/dbraw/zinc/39/01/39/170390139.db2.gz OJQIDUJASQQVAK-NSHDSACASA-N 1 0 200.326 1.049 50 0 BDAARO CCOCCN1CC[NH+](CC2CCCC2)CC1 ZINC000069656064 170399487 /nfs/dbraw/zinc/39/94/87/170399487.db2.gz GRPICPYFCMZRBQ-UHFFFAOYSA-N 1 0 240.391 1.831 50 0 BDAARO CCOCC[NH2+]CCOCc1ccccc1 ZINC000002875579 170411569 /nfs/dbraw/zinc/41/15/69/170411569.db2.gz BVIPSTOMTJQLTR-UHFFFAOYSA-N 1 0 223.316 1.829 50 0 BDAARO CCOCC[NH2+]Cc1cccc(OC)c1 ZINC000035151182 170412386 /nfs/dbraw/zinc/41/23/86/170412386.db2.gz NMFACVWPCDHAPZ-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO CN1CC[N@H+](CCc2ccccc2)CCC1=O ZINC000661806704 411889694 /nfs/dbraw/zinc/88/96/94/411889694.db2.gz GSFJRHSRWINQRK-UHFFFAOYSA-N 1 0 232.327 1.393 50 0 BDAARO CC[C@@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccccc1 ZINC000096445744 171076919 /nfs/dbraw/zinc/07/69/19/171076919.db2.gz FFWSOQPHWCAMLX-OCCSQVGLSA-N 1 0 246.354 1.987 50 0 BDAARO CC[C@@]1(CO)CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000091932691 171210800 /nfs/dbraw/zinc/21/08/00/171210800.db2.gz NJRDUZRICFJCQT-CQSZACIVSA-N 1 0 249.358 1.770 50 0 BDAARO CC[C@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000124440587 171235309 /nfs/dbraw/zinc/23/53/09/171235309.db2.gz YXSLDPCPVLJKBW-SNVBAGLBSA-N 1 0 207.277 1.360 50 0 BDAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1 ZINC000011959359 171394943 /nfs/dbraw/zinc/39/49/43/171394943.db2.gz QCNUBIUWWWTVLZ-JQWIXIFHSA-N 1 0 220.316 1.676 50 0 BDAARO CCc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000041161872 171785273 /nfs/dbraw/zinc/78/52/73/171785273.db2.gz ZLJOHSVAKNHANA-ZDUSSCGKSA-N 1 0 248.326 1.049 50 0 BDAARO CCc1ccc(CC[N@H+](C)CCC(=O)NC)cc1 ZINC000071909007 171791428 /nfs/dbraw/zinc/79/14/28/171791428.db2.gz IYZOVOZQMCTHFJ-UHFFFAOYSA-N 1 0 248.370 1.859 50 0 BDAARO CCn1c(SC)nnc1[C@H]1CCC[NH2+]1 ZINC000013564624 172148021 /nfs/dbraw/zinc/14/80/21/172148021.db2.gz QICCVGAIMBPQCT-SSDOTTSWSA-N 1 0 212.322 1.444 50 0 BDAARO CCn1c[n+](Cc2cccc(C)c2)cn1 ZINC000252499261 172149077 /nfs/dbraw/zinc/14/90/77/172149077.db2.gz RXZLHGNWZWGCIT-UHFFFAOYSA-N 1 0 202.281 1.547 50 0 BDAARO CCn1c[n+](Cc2ccc(C)cc2)cn1 ZINC000252494434 172149696 /nfs/dbraw/zinc/14/96/96/172149696.db2.gz NVMZQNHNIDKNNG-UHFFFAOYSA-N 1 0 202.281 1.547 50 0 BDAARO CN(C(=O)[C@@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000096301043 172325673 /nfs/dbraw/zinc/32/56/73/172325673.db2.gz UAGHYIRYZJDVBP-ZDUSSCGKSA-N 1 0 248.326 1.324 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000095743136 172325703 /nfs/dbraw/zinc/32/57/03/172325703.db2.gz NWOXRBKNNRYSTO-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO CN(C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000002583419 172325733 /nfs/dbraw/zinc/32/57/33/172325733.db2.gz DJJOYDXRUBOZON-UHFFFAOYSA-N 1 0 214.309 1.605 50 0 BDAARO CN(C)C(=O)CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336268943 172357329 /nfs/dbraw/zinc/35/73/29/172357329.db2.gz ZIJFQACCRSWCDW-LLVKDONJSA-N 1 0 216.300 1.289 50 0 BDAARO C[N@@H+]1CCCN(c2ccc(C=O)cc2)CC1 ZINC000012370634 173017146 /nfs/dbraw/zinc/01/71/46/173017146.db2.gz MRMHNZCHZCRCAV-UHFFFAOYSA-N 1 0 218.300 1.641 50 0 BDAARO C[N@@H+]1CCC[C@@H](OC(=O)c2cccs2)C1 ZINC000000375736 173022738 /nfs/dbraw/zinc/02/27/38/173022738.db2.gz JCIYWNFSCWIQCD-SECBINFHSA-N 1 0 225.313 1.999 50 0 BDAARO CN(C[C@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000041124030 173036946 /nfs/dbraw/zinc/03/69/46/173036946.db2.gz HPQPAGVJMAWUNH-AWEZNQCLSA-N 1 0 234.343 1.580 50 0 BDAARO C[NH+]1CCN(Cc2ccccc2N)CC1 ZINC000019279932 173090682 /nfs/dbraw/zinc/09/06/82/173090682.db2.gz FRPRBZVFSKUCPZ-UHFFFAOYSA-N 1 0 205.305 1.016 50 0 BDAARO CN1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1=O ZINC000097212532 173126642 /nfs/dbraw/zinc/12/66/42/173126642.db2.gz LAZWSECFEGSKIR-QWHCGFSZSA-N 1 0 248.301 1.633 50 0 BDAARO C[N@@H+]1C[C@@H](C(=O)NC2CC2)[C@@H](c2ccccc2)C1 ZINC000226751645 173181324 /nfs/dbraw/zinc/18/13/24/173181324.db2.gz RBQPCKGABHTGPA-ZIAGYGMSSA-N 1 0 244.338 1.610 50 0 BDAARO CN1C[C@H]([NH2+]C2CCSCC2)CCC1=O ZINC000077900583 173195288 /nfs/dbraw/zinc/19/52/88/173195288.db2.gz AAZIEGHYXZOLPH-SNVBAGLBSA-N 1 0 228.361 1.092 50 0 BDAARO CNC(=O)C(C)(C)C[NH2+]C1Cc2ccccc2C1 ZINC000097108890 173220560 /nfs/dbraw/zinc/22/05/60/173220560.db2.gz POPAGQDBXSEQDO-UHFFFAOYSA-N 1 0 246.354 1.516 50 0 BDAARO CNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000012333910 173223783 /nfs/dbraw/zinc/22/37/83/173223783.db2.gz SXDRHIRJAHODSJ-UHFFFAOYSA-N 1 0 246.354 1.953 50 0 BDAARO CNC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029810343 173271556 /nfs/dbraw/zinc/27/15/56/173271556.db2.gz XVPPHZAVQIAURU-LBPRGKRZSA-N 1 0 218.300 1.352 50 0 BDAARO C[NH2+]C(C)(C)CNC(=O)Nc1ccccn1 ZINC000084326112 173319266 /nfs/dbraw/zinc/31/92/66/173319266.db2.gz HWTTUOMKAKJORT-UHFFFAOYSA-N 1 0 222.292 1.201 50 0 BDAARO C[NH2+]C(C)(C)c1nnnn1-c1c(C)cccc1C ZINC000004452214 173321309 /nfs/dbraw/zinc/32/13/09/173321309.db2.gz ITAKMXZJXZUYIZ-UHFFFAOYSA-N 1 0 245.330 1.734 50 0 BDAARO C[NH2+]C1CCN(CCc2ccccn2)CC1 ZINC000037483499 173322557 /nfs/dbraw/zinc/32/25/57/173322557.db2.gz LCWBSUNNCBUPQC-UHFFFAOYSA-N 1 0 219.332 1.308 50 0 BDAARO C[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000003311550 173335616 /nfs/dbraw/zinc/33/56/16/173335616.db2.gz WOYATMOGYRCQGW-UHFFFAOYSA-N 1 0 214.268 1.998 50 0 BDAARO C[NH2+]CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000095075966 173342904 /nfs/dbraw/zinc/34/29/04/173342904.db2.gz JYPOMGGAKUODID-UHFFFAOYSA-N 1 0 214.309 1.463 50 0 BDAARO C[NH2+]CCCCNC(=O)c1cnc(C2CC2)nc1 ZINC000097288715 173344961 /nfs/dbraw/zinc/34/49/61/173344961.db2.gz YXIPAYLIMUZCRR-UHFFFAOYSA-N 1 0 248.330 1.083 50 0 BDAARO C[NH2+]C[C@@H](C)COc1ccccc1OC ZINC000005532370 173364267 /nfs/dbraw/zinc/36/42/67/173364267.db2.gz LXRPBUSBNIJQOL-SNVBAGLBSA-N 1 0 209.289 1.930 50 0 BDAARO C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000000333717 173365490 /nfs/dbraw/zinc/36/54/90/173365490.db2.gz CCXZHDCWFJMQSJ-LLVKDONJSA-N 1 0 209.289 1.263 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000011593868 173368232 /nfs/dbraw/zinc/36/82/32/173368232.db2.gz FWYMKDGOQBTQNE-JTQLQIEISA-N 1 0 228.336 1.853 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccccn2)C1 ZINC000328595885 173369964 /nfs/dbraw/zinc/36/99/64/173369964.db2.gz IVUUWLVVVVNBAL-FYJFLYSWSA-N 1 0 245.326 1.163 50 0 BDAARO C[NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000077299556 173371622 /nfs/dbraw/zinc/37/16/22/173371622.db2.gz AXCUJVZSFAEFKZ-SNVBAGLBSA-N 1 0 206.245 1.231 50 0 BDAARO C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000019864763 173377056 /nfs/dbraw/zinc/37/70/56/173377056.db2.gz BYKGDONZKFTWKH-QMMMGPOBSA-N 1 0 249.232 1.665 50 0 BDAARO C[NH2+]Cc1cc(-c2cncnc2)ccc1OC ZINC000032561791 173385783 /nfs/dbraw/zinc/38/57/83/173385783.db2.gz LQBHWBRMSVVXGS-UHFFFAOYSA-N 1 0 229.283 1.872 50 0 BDAARO C[NH2+]Cc1ccc(-c2nc(C)no2)cc1 ZINC000012370450 173387974 /nfs/dbraw/zinc/38/79/74/173387974.db2.gz MUCOLQGVWQXQMX-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(C)nc2)C1 ZINC000133983893 173432566 /nfs/dbraw/zinc/43/25/66/173432566.db2.gz HKWTXRIUOVZAIW-CYBMUJFWSA-N 1 0 247.342 1.143 50 0 BDAARO COCCC[N@H+](C)Cc1nc2ncccc2o1 ZINC000225846846 174218212 /nfs/dbraw/zinc/21/82/12/174218212.db2.gz KTDVXNZUSNUOSX-UHFFFAOYSA-N 1 0 235.287 1.691 50 0 BDAARO COCCC[N@@H+]1C[C@H](C)NCC1(C)C ZINC000082935276 174234975 /nfs/dbraw/zinc/23/49/75/174234975.db2.gz HMNLQRZVSMIORA-JTQLQIEISA-N 1 0 200.326 1.095 50 0 BDAARO COCCN1CCC([NH+]2CCCC2)CC1 ZINC000051925347 174304524 /nfs/dbraw/zinc/30/45/24/174304524.db2.gz TVPJGCSPZUCTER-UHFFFAOYSA-N 1 0 212.337 1.193 50 0 BDAARO COCC[NH2+]CCOc1cccc(C)c1 ZINC000002931325 174333942 /nfs/dbraw/zinc/33/39/42/174333942.db2.gz BCXTWYQIDBJPQR-UHFFFAOYSA-N 1 0 209.289 1.610 50 0 BDAARO COCC[NH2+]Cc1c(F)cccc1F ZINC000019881135 174334446 /nfs/dbraw/zinc/33/44/46/174334446.db2.gz AILVOPKEPCFPOA-UHFFFAOYSA-N 1 0 201.216 1.701 50 0 BDAARO COCC[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000012383413 174338839 /nfs/dbraw/zinc/33/88/39/174338839.db2.gz DZTDXFXQVPBXNQ-LLVKDONJSA-N 1 0 223.316 1.949 50 0 BDAARO COCCNc1cc([C@@H]2CCOC2)nc(C)n1 ZINC000299801115 174341036 /nfs/dbraw/zinc/34/10/36/174341036.db2.gz WCBKHWBYACRMCQ-SNVBAGLBSA-N 1 0 237.303 1.347 50 0 BDAARO COc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000012371030 175034551 /nfs/dbraw/zinc/03/45/51/175034551.db2.gz ASGDUFOXUMFAMV-UHFFFAOYSA-N 1 0 216.244 1.438 50 0 in-vitro BDAARO COc1ccc(-c2c[nH+]c(N)n2C)cc1 ZINC000000873791 175036521 /nfs/dbraw/zinc/03/65/21/175036521.db2.gz ILHHHWSQEBWULH-UHFFFAOYSA-N 1 0 203.245 1.678 50 0 BDAARO COc1ccc(C(=O)C(C)(C)[NH3+])cc1OC ZINC000058327433 175053009 /nfs/dbraw/zinc/05/30/09/175053009.db2.gz KQKJAUXYYFDVBD-UHFFFAOYSA-N 1 0 223.272 1.624 50 0 BDAARO COc1ccc(C)c2cc(CC[NH3+])c(=O)[nH]c12 ZINC000011980468 175071524 /nfs/dbraw/zinc/07/15/24/175071524.db2.gz VGWITMBJHJMICZ-UHFFFAOYSA-N 1 0 232.283 1.346 50 0 BDAARO COc1ccc(C)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000019409398 175077384 /nfs/dbraw/zinc/07/73/84/175077384.db2.gz XFGPEILKBFQKNZ-SNVBAGLBSA-N 1 0 234.299 1.694 50 0 BDAARO COc1ccc(CCC[N@H+](C)CC(N)=O)cc1 ZINC000065520674 175089752 /nfs/dbraw/zinc/08/97/52/175089752.db2.gz DINZOKNTJIMITM-UHFFFAOYSA-N 1 0 236.315 1.045 50 0 BDAARO COc1ccc(CCNC2=[NH+]CCS2)cc1 ZINC000003308231 175091371 /nfs/dbraw/zinc/09/13/71/175091371.db2.gz WOBMKEGHBJRELE-UHFFFAOYSA-N 1 0 236.340 1.930 50 0 BDAARO COc1ccc(C[NH3+])cc1Br ZINC000002524600 175097320 /nfs/dbraw/zinc/09/73/20/175097320.db2.gz PZYWNKFZCOGPJX-UHFFFAOYSA-N 1 0 216.078 1.916 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000004977712 175100125 /nfs/dbraw/zinc/10/01/25/175100125.db2.gz BHSIHYZSNGOYDV-LBPRGKRZSA-N 1 0 221.300 1.652 50 0 BDAARO COc1ccc(C[NH2+][C@@H]2CCOC2)cc1OC ZINC000076683804 175109960 /nfs/dbraw/zinc/10/99/60/175109960.db2.gz BUPLSTXCTCFLLI-LLVKDONJSA-N 1 0 237.299 1.582 50 0 BDAARO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2O)cn1 ZINC000062070738 175110516 /nfs/dbraw/zinc/11/05/16/175110516.db2.gz DVSAWAQGAUGMMN-MNOVXSKESA-N 1 0 222.288 1.093 50 0 BDAARO COc1ccc(OC)c([C@@H](C)[NH2+]CCO)c1 ZINC000004476040 175166743 /nfs/dbraw/zinc/16/67/43/175166743.db2.gz WBFCXRMFLRGWSD-SECBINFHSA-N 1 0 225.288 1.347 50 0 BDAARO COc1ccc(OC)c([C@@H](O)[C@H](C)[NH3+])c1 ZINC000000057406 175168150 /nfs/dbraw/zinc/16/81/50/175168150.db2.gz WJAJPNHVVFWKKL-CPCISQLKSA-N 1 0 211.261 1.084 50 0 world BDAARO COc1ccc([C@H]([NH3+])CN(C)C)cc1OC ZINC000019821463 175191938 /nfs/dbraw/zinc/19/19/38/175191938.db2.gz NPBZJCDQBFZTQF-SNVBAGLBSA-N 1 0 224.304 1.265 50 0 BDAARO COc1ccc([C@H]2[C@H](CO)CC[N@@H+]2C)cc1 ZINC000068593312 175199192 /nfs/dbraw/zinc/19/91/92/175199192.db2.gz BNBDNQGLPMOONQ-AAEUAGOBSA-N 1 0 221.300 1.680 50 0 BDAARO COc1ccc2c(c1)[C@@](O)(C[NH3+])CCC2 ZINC000019727256 175215218 /nfs/dbraw/zinc/21/52/18/175215218.db2.gz LNGNAFBJTXOICZ-LBPRGKRZSA-N 1 0 207.273 1.178 50 0 BDAARO COc1ccc2[nH]c(C(C)(C)[NH3+])nc2c1 ZINC000062720067 175227776 /nfs/dbraw/zinc/22/77/76/175227776.db2.gz QBYMXVMLSNEFHZ-UHFFFAOYSA-N 1 0 205.261 1.765 50 0 BDAARO COc1cccc(-c2nc(CC[NH3+])no2)c1OC ZINC000041201847 175236300 /nfs/dbraw/zinc/23/63/00/175236300.db2.gz HYRCIUVEXMQINI-UHFFFAOYSA-N 1 0 249.270 1.255 50 0 BDAARO COc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000016604815 175244742 /nfs/dbraw/zinc/24/47/42/175244742.db2.gz CILHSZCRBNGLOM-UHFFFAOYSA-N 1 0 248.326 1.519 50 0 BDAARO COc1cccc(C(=O)OCCC[NH+](C)C)c1 ZINC000001823255 175246616 /nfs/dbraw/zinc/24/66/16/175246616.db2.gz ZZBOPNRAXNKEJH-UHFFFAOYSA-N 1 0 237.299 1.804 50 0 BDAARO COc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000000200839 175258738 /nfs/dbraw/zinc/25/87/38/175258738.db2.gz IUUQVCIOVSXWMF-LBPRGKRZSA-N 1 0 221.300 1.652 50 0 BDAARO COc1cccc(C[NH2+]C(C)(C)CO)c1 ZINC000001705873 175262931 /nfs/dbraw/zinc/26/29/31/175262931.db2.gz LOWLOKUPIFAXQT-UHFFFAOYSA-N 1 0 209.289 1.556 50 0 BDAARO COc1cccc([C@@H](C[NH3+])N2CCOCC2)c1 ZINC000019796126 175287752 /nfs/dbraw/zinc/28/77/52/175287752.db2.gz KAKBHBNFLTVSIQ-CYBMUJFWSA-N 1 0 236.315 1.027 50 0 BDAARO COc1cccc([C@H](C[NH3+])N2CCOCC2)c1 ZINC000019796128 175294040 /nfs/dbraw/zinc/29/40/40/175294040.db2.gz KAKBHBNFLTVSIQ-ZDUSSCGKSA-N 1 0 236.315 1.027 50 0 BDAARO COc1ccccc1-c1cc(C[NH3+])on1 ZINC000033414620 175309481 /nfs/dbraw/zinc/30/94/81/175309481.db2.gz CITBUNBBGPEDJN-UHFFFAOYSA-N 1 0 204.229 1.809 50 0 BDAARO COc1ccccc1C(=O)C[NH2+]C(C)C ZINC000012359665 175316214 /nfs/dbraw/zinc/31/62/14/175316214.db2.gz FGSJNHHRBVOFTM-UHFFFAOYSA-N 1 0 207.273 1.876 50 0 BDAARO COc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000006698776 175317042 /nfs/dbraw/zinc/31/70/42/175317042.db2.gz MWANIBNBOCUDFS-UHFFFAOYSA-N 1 0 248.326 1.473 50 0 BDAARO COc1ccccc1C1(O)CC[NH2+]CC1 ZINC000002545021 175320769 /nfs/dbraw/zinc/32/07/69/175320769.db2.gz RQKOZXQKXHODOQ-UHFFFAOYSA-N 1 0 207.273 1.266 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000004948317 175327197 /nfs/dbraw/zinc/32/71/97/175327197.db2.gz KOCUWMIONUKZSP-LBPRGKRZSA-N 1 0 235.327 1.900 50 0 BDAARO COc1ccccc1CNC1CC[NH+](C)CC1 ZINC000002577111 175329468 /nfs/dbraw/zinc/32/94/68/175329468.db2.gz YOFCVSFSSNPISO-UHFFFAOYSA-N 1 0 234.343 1.879 50 0 BDAARO COc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000000576464 175329844 /nfs/dbraw/zinc/32/98/44/175329844.db2.gz UTJJRYCDUQTLRM-GFCCVEGCSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccccc1NC1CC[NH2+]CC1 ZINC000038040490 175336557 /nfs/dbraw/zinc/33/65/57/175336557.db2.gz PIINGWHBWFHBAP-UHFFFAOYSA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000019411259 175336820 /nfs/dbraw/zinc/33/68/20/175336820.db2.gz YWFQSLZSDIYTFP-SNVBAGLBSA-N 1 0 220.272 1.386 50 0 BDAARO COc1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000000000513 175341946 /nfs/dbraw/zinc/34/19/46/175341946.db2.gz LFTFGCDECFPSQD-LLVKDONJSA-N 1 0 239.315 1.433 50 0 world BDAARO COc1ccccc1[C@@H](O)C[NH2+]C(C)C ZINC000012359666 175347558 /nfs/dbraw/zinc/34/75/58/175347558.db2.gz RLJUZSQHQRIUSG-NSHDSACASA-N 1 0 209.289 1.727 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158409420 175475292 /nfs/dbraw/zinc/47/52/92/175475292.db2.gz SBDCJJIEUXUSBN-ZJUUUORDSA-N 1 0 230.377 1.373 50 0 BDAARO C[C@@H]([NH3+])C1CCN(CC(F)(F)F)CC1 ZINC000082474941 175801898 /nfs/dbraw/zinc/80/18/98/175801898.db2.gz BUKCQFLBXVFHIQ-SSDOTTSWSA-N 1 0 210.243 1.608 50 0 BDAARO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)C(N)=O ZINC000035138847 175920659 /nfs/dbraw/zinc/92/06/59/175920659.db2.gz CVTKIOHIGNNRSY-HTQZYQBOSA-N 1 0 210.252 1.350 50 0 BDAARO C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)CC[NH3+] ZINC000225465707 176051440 /nfs/dbraw/zinc/05/14/40/176051440.db2.gz UFBQJLDWTLCMCT-ZJUUUORDSA-N 1 0 212.337 1.666 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019410854 176067912 /nfs/dbraw/zinc/06/79/12/176067912.db2.gz VMMVKFDXSFIKOX-GHMZBOCLSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccccn2)[C@H]1C[NH3+] ZINC000070176200 176095568 /nfs/dbraw/zinc/09/55/68/176095568.db2.gz BUFLXZIOVJJROB-PWSUYJOCSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccnc2)C1 ZINC000046880382 176098483 /nfs/dbraw/zinc/09/84/83/176098483.db2.gz SLXCAOCEZOZZPW-GFCCVEGCSA-N 1 0 247.342 1.543 50 0 BDAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CCOCCO)[C@H]12 ZINC000095399794 176151187 /nfs/dbraw/zinc/15/11/87/176151187.db2.gz DIQSSKRPKSIJJD-HZSPNIEDSA-N 1 0 241.375 1.896 50 0 BDAARO C[C@@H]1CCN(Cc2ccccc2)C[C@H]1[NH3+] ZINC000238855995 176175158 /nfs/dbraw/zinc/17/51/58/176175158.db2.gz UMKXOVBYIBQJBM-DGCLKSJQSA-N 1 0 204.317 1.856 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000251551688 176234372 /nfs/dbraw/zinc/23/43/72/176234372.db2.gz BAKPVAVNBBJVPQ-WISYIIOYSA-N 1 0 245.388 1.588 50 0 BDAARO C[C@@H]1CN([C@H](C[NH3+])c2cccs2)CCO1 ZINC000101527051 176318548 /nfs/dbraw/zinc/31/85/48/176318548.db2.gz OFMFEVBNWWMEFZ-NXEZZACHSA-N 1 0 226.345 1.469 50 0 BDAARO C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2C)CCO1 ZINC000069891297 176377963 /nfs/dbraw/zinc/37/79/63/176377963.db2.gz LRWOUURLVRSKOV-ZJUUUORDSA-N 1 0 209.293 1.077 50 0 BDAARO C[C@@]1(C(=O)NC2CCCC2)CCC[NH2+]C1 ZINC000019686440 176523759 /nfs/dbraw/zinc/52/37/59/176523759.db2.gz RQNBZRVWKKNHGV-GFCCVEGCSA-N 1 0 210.321 1.435 50 0 BDAARO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccncc1 ZINC000095939955 176840051 /nfs/dbraw/zinc/84/00/51/176840051.db2.gz SSBNLQMZWCYRBZ-NSHDSACASA-N 1 0 236.315 1.885 50 0 BDAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(N)=O ZINC000078516435 176892111 /nfs/dbraw/zinc/89/21/11/176892111.db2.gz RGYMAUIWAGBNCR-GWCFXTLKSA-N 1 0 232.327 1.991 50 0 BDAARO C[C@H](c1ccccn1)N1CCC([NH3+])CC1 ZINC000020521607 177043675 /nfs/dbraw/zinc/04/36/75/177043675.db2.gz QJSFXTYZLFNLKB-SNVBAGLBSA-N 1 0 205.305 1.566 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccnc1 ZINC000046860996 177075577 /nfs/dbraw/zinc/07/55/77/177075577.db2.gz WEPBXSXUGLYOFL-LBPRGKRZSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1C[NH3+] ZINC000070176201 177095281 /nfs/dbraw/zinc/09/52/81/177095281.db2.gz BUFLXZIOVJJROB-JQWIXIFHSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040461073 177095986 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520628709 /nfs/dbraw/zinc/62/87/09/520628709.db2.gz LRHRDGXGBPGTCY-NEPJUHHUSA-N 1 0 247.404 1.932 50 0 BDAARO CCc1oc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1C ZINC000178545261 522978193 /nfs/dbraw/zinc/97/81/93/522978193.db2.gz CPJLIQXPEBXOFO-JTQLQIEISA-N 1 0 236.315 1.571 50 0 BDAARO CCc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1 ZINC000069741167 523942464 /nfs/dbraw/zinc/94/24/64/523942464.db2.gz QJVPENUHEVHNJC-OAHLLOKOSA-N 1 0 248.370 1.669 50 0 BDAARO COc1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000221164097 524071615 /nfs/dbraw/zinc/07/16/15/524071615.db2.gz INHUBZGVAKKUNI-ZDUSSCGKSA-N 1 0 234.343 1.879 50 0 BDAARO Cc1ccc(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000153942012 524257302 /nfs/dbraw/zinc/25/73/02/524257302.db2.gz DJEXRYQOZOIMGU-TXEJJXNPSA-N 1 0 247.342 1.141 50 0 BDAARO C[C@H](CNC(=O)C[C@H]1C=CCC1)[NH+]1CCCC1 ZINC000040522487 524387220 /nfs/dbraw/zinc/38/72/20/524387220.db2.gz UCXVEDAACSCKLL-OLZOCXBDSA-N 1 0 236.359 1.943 50 0 BDAARO Cc1ccc([C@@H]2CCCN2C(=O)C[NH3+])cc1C ZINC000083906042 525810058 /nfs/dbraw/zinc/81/00/58/525810058.db2.gz WFBXTTXGMXIBEY-ZDUSSCGKSA-N 1 0 232.327 1.926 50 0 BDAARO O[C@]12C[C@H]3C[C@H](C[C@@H](C1)[C@@H]3[NH+]1CCOCC1)C2 ZINC000239038394 526321949 /nfs/dbraw/zinc/32/19/49/526321949.db2.gz DBZPWMVGCMRXDI-VJUFMGLXSA-N 1 0 237.343 1.258 50 0 BDAARO Cn1cc([C@@H]2C[NH2+]Cc3ccccc32)cn1 ZINC000070632283 527304826 /nfs/dbraw/zinc/30/48/26/527304826.db2.gz RUWKXGUCKGZSOA-ZDUSSCGKSA-N 1 0 213.284 1.655 50 0 BDAARO OCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000252476828 527544390 /nfs/dbraw/zinc/54/43/90/527544390.db2.gz CFOJKXPNQYOBAE-OLZOCXBDSA-N 1 0 227.348 1.650 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCCCCO ZINC000408525725 535305888 /nfs/dbraw/zinc/30/58/88/535305888.db2.gz WXGNXGMTYXBQMG-LBPRGKRZSA-N 1 0 245.363 1.703 50 0 BDAARO C[NH+](C)CCN1CCNc2ccccc21 ZINC000020263258 535877452 /nfs/dbraw/zinc/87/74/52/535877452.db2.gz JNAPSHULLULWJD-UHFFFAOYSA-N 1 0 205.305 1.480 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007590511 566436103 /nfs/dbraw/zinc/43/61/03/566436103.db2.gz LPAQALFERBCDIB-OUAUKWLOSA-N 1 0 210.321 1.372 50 0 BDAARO C[N@@H+]1CC[C@@H]2CCN(c3cc(F)ncn3)[C@@H]2C1 ZINC000895622777 583697908 /nfs/dbraw/zinc/69/79/08/583697908.db2.gz GOVDOYHTPZIGCV-NXEZZACHSA-N 1 0 236.294 1.146 50 0 BDAARO Cn1cc([C@@H](O)C[NH2+][C@@H]2CC3CCC2CC3)cn1 ZINC000863982390 589333309 /nfs/dbraw/zinc/33/33/09/589333309.db2.gz HVLZNLSJGACVAN-QUINOFQRSA-N 1 0 249.358 1.622 50 0 BDAARO Cn1cc([C@@H](O)C[NH2+][C@H]2CC3CCC2CC3)cn1 ZINC000863982389 589333473 /nfs/dbraw/zinc/33/34/73/589333473.db2.gz HVLZNLSJGACVAN-OQSWDALSSA-N 1 0 249.358 1.622 50 0 BDAARO C[NH2+][C@@H](C)CNC(=O)c1csc(Cl)n1 ZINC000864095787 589344829 /nfs/dbraw/zinc/34/48/29/589344829.db2.gz BWBZYQCYDHQXTO-YFKPBYRVSA-N 1 0 233.724 1.134 50 0 BDAARO Cc1cnc(N2CCC([C@H](C)[NH3+])CC2)nc1 ZINC000082475189 634419600 /nfs/dbraw/zinc/41/96/00/634419600.db2.gz ARHNHOSVRRLLPN-JTQLQIEISA-N 1 0 220.320 1.349 50 0 BDAARO O=c1c2c(F)cccc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000258180552 634590619 /nfs/dbraw/zinc/59/06/19/634590619.db2.gz LYMVVYACDRXAQL-SECBINFHSA-N 1 0 247.273 1.460 50 0 BDAARO CC(C)c1ncc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000426715843 635758659 /nfs/dbraw/zinc/75/86/59/635758659.db2.gz IILVSFNCGONCGX-LLVKDONJSA-N 1 0 234.347 1.381 50 0 BDAARO CCCSC1=NN/C(=C2/C=CC=[NH+]2)O1 ZINC000105270706 635209432 /nfs/dbraw/zinc/20/94/32/635209432.db2.gz LWTOZVGUNRBKEW-BQYQJAHWSA-N 1 0 209.274 1.830 50 0 BDAARO CC/C=C(\C)C(=O)NCC[NH+]1CCCCC1 ZINC000046855946 640825119 /nfs/dbraw/zinc/82/51/19/640825119.db2.gz HVDIVLFYCBPKFU-KPKJPENVSA-N 1 0 224.348 1.945 50 0 BDAARO [NH3+]C[C@H]1CCN(Cc2ccncc2Cl)C1 ZINC000084085839 644417421 /nfs/dbraw/zinc/41/74/21/644417421.db2.gz XTIBMGMFXHFUOX-SECBINFHSA-N 1 0 225.723 1.516 50 0 BDAARO C[C@H](CN(C)CCO)[NH2+]Cc1cccc(F)c1 ZINC000952973832 644445908 /nfs/dbraw/zinc/44/59/08/644445908.db2.gz SBISKFNPVRWOAG-LLVKDONJSA-N 1 0 240.322 1.228 50 0 BDAARO CC[C@@H]([NH3+])[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528432 644807846 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[NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccsc1 ZINC000038048958 343368006 /nfs/dbraw/zinc/36/80/06/343368006.db2.gz PMQTUIYSUXVIJP-NXEZZACHSA-N 1 0 224.329 1.748 50 0 BDAARO Cc1cc(F)cc(NC(=O)N(C)CC[NH3+])c1 ZINC000335648299 136304402 /nfs/dbraw/zinc/30/44/02/136304402.db2.gz FTVJWXCATKYMOI-UHFFFAOYSA-N 1 0 225.267 1.557 50 0 BDAARO Cc1ccoc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000032876350 187256475 /nfs/dbraw/zinc/25/64/75/187256475.db2.gz ZNQRSGNGWJMDDB-UHFFFAOYSA-N 1 0 236.315 1.754 50 0 BDAARO CC(C)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000069847446 187258178 /nfs/dbraw/zinc/25/81/78/187258178.db2.gz GYXFEWGCMZKSKI-LLVKDONJSA-N 1 0 208.309 1.399 50 0 BDAARO C[C@H]([NH3+])c1noc(Cc2noc3ccccc32)n1 ZINC000041121745 343415340 /nfs/dbraw/zinc/41/53/40/343415340.db2.gz KQQUGBJVFMLPOR-ZETCQYMHSA-N 1 0 244.254 1.821 50 0 BDAARO C[NH+](C)CCOC(=O)c1ccccc1F ZINC000004591656 343450265 /nfs/dbraw/zinc/45/02/65/343450265.db2.gz UHVKICKMLDQTOK-UHFFFAOYSA-N 1 0 211.236 1.544 50 0 BDAARO O=C(OCC[C@H]1CCCC[NH2+]1)C1CCC1 ZINC000042769293 343451028 /nfs/dbraw/zinc/45/10/28/343451028.db2.gz NBGFVXKCVOQTNT-LLVKDONJSA-N 1 0 211.305 1.862 50 0 BDAARO CN(CC1CCOCC1)C[C@H]1CCCC[NH2+]1 ZINC000042783455 343452724 /nfs/dbraw/zinc/45/27/24/343452724.db2.gz MHPNEVVMWGFWMF-CYBMUJFWSA-N 1 0 226.364 1.487 50 0 BDAARO Clc1cncc(OC2CC[NH2+]CC2)n1 ZINC000042783009 343452993 /nfs/dbraw/zinc/45/29/93/343452993.db2.gz ILHLIZGFBFJFNN-UHFFFAOYSA-N 1 0 213.668 1.261 50 0 BDAARO COC[C@H](C)[NH2+]CCOc1ccccc1 ZINC000044295866 343497795 /nfs/dbraw/zinc/49/77/95/343497795.db2.gz UUJXKEPPQVLAMQ-NSHDSACASA-N 1 0 209.289 1.690 50 0 BDAARO Cc1nccc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000077010539 187262639 /nfs/dbraw/zinc/26/26/39/187262639.db2.gz BIVAKOCSMKQQMP-OUCADQQQSA-N 1 0 231.343 1.963 50 0 BDAARO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279706370 187342230 /nfs/dbraw/zinc/34/22/30/187342230.db2.gz PLXGBXZVPCXZSL-GASCZTMLSA-N 1 0 244.338 1.597 50 0 BDAARO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2C)CC1 ZINC000043506179 187267115 /nfs/dbraw/zinc/26/71/15/187267115.db2.gz OCZOFCPATYYMBA-YPMHNXCESA-N 1 0 238.375 1.974 50 0 BDAARO CC(C)[NH+]1CCC([C@H]2[NH2+]CCc3nc[nH]c32)CC1 ZINC000065371414 187273586 /nfs/dbraw/zinc/27/35/86/187273586.db2.gz LVPBCLBQWICIHC-CYBMUJFWSA-N 1 0 248.374 1.717 50 0 BDAARO CCCc1nccn1-c1csc(C(N)=O)c1 ZINC000065494725 187274139 /nfs/dbraw/zinc/27/41/39/187274139.db2.gz KCMLUQOGWZRWOP-UHFFFAOYSA-N 1 0 235.312 1.985 50 0 BDAARO CC(C)(C)c1cc([C@@H]2NCCc3nc[nH]c32)[nH]n1 ZINC000067563379 187274146 /nfs/dbraw/zinc/27/41/46/187274146.db2.gz UJMHAZCPAPPUNK-LBPRGKRZSA-N 1 0 245.330 1.665 50 0 BDAARO C([C@@H]1CSCCC[NH2+]1)N1CCCCC1 ZINC000075172951 187277445 /nfs/dbraw/zinc/27/74/45/187277445.db2.gz SDPAUUUOUZICEK-LLVKDONJSA-N 1 0 214.378 1.567 50 0 BDAARO Cc1ccc2ncn([C@@H]3CC[C@@H]([NH3+])C3)c(=O)c2c1 ZINC000670473698 487535455 /nfs/dbraw/zinc/53/54/55/487535455.db2.gz NQTVVMMZUIMGCE-GHMZBOCLSA-N 1 0 243.310 1.757 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C[C@@H]1F ZINC000079035487 187281494 /nfs/dbraw/zinc/28/14/94/187281494.db2.gz MPIIBGAKGQZLDK-YUMQZZPRSA-N 1 0 218.272 1.211 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000082359769 187282045 /nfs/dbraw/zinc/28/20/45/187282045.db2.gz LPNOEYLQBVUWGH-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO CCNS(=O)(=O)[C@@H]1CC[N@H+](CC(C)(C)C)C1 ZINC000097235459 344102837 /nfs/dbraw/zinc/10/28/37/344102837.db2.gz HXYBGVMHIQRJID-SNVBAGLBSA-N 1 0 248.392 1.046 50 0 BDAARO Cc1ccc(C[NH2+]CC2(O)CCOCC2)c(C)c1 ZINC000112717081 187286865 /nfs/dbraw/zinc/28/68/65/187286865.db2.gz PAVRQJWOSJFNSP-UHFFFAOYSA-N 1 0 249.354 1.935 50 0 BDAARO Cc1n[nH]c(C)c1CN(C)c1cc(C)[nH+]c(N)n1 ZINC000092077054 187287091 /nfs/dbraw/zinc/28/70/91/187287091.db2.gz OIUIKRZTBGOWLV-UHFFFAOYSA-N 1 0 246.318 1.344 50 0 BDAARO CC(=O)[C@@](C)(O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000331314369 187358465 /nfs/dbraw/zinc/35/84/65/187358465.db2.gz IMHKVWCABDCCKY-AWEZNQCLSA-N 1 0 249.310 1.709 50 0 BDAARO COCc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000124819573 187357884 /nfs/dbraw/zinc/35/78/84/187357884.db2.gz AXBPSYIMPGMHIR-LLVKDONJSA-N 1 0 248.326 1.267 50 0 BDAARO COCCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072978677 344399160 /nfs/dbraw/zinc/39/91/60/344399160.db2.gz JXWWYOINWKVEMV-LBPRGKRZSA-N 1 0 215.337 1.770 50 0 BDAARO COc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)ccc1N ZINC000114003164 344682150 /nfs/dbraw/zinc/68/21/50/344682150.db2.gz ZBQZMPOLCXEVMD-CYBMUJFWSA-N 1 0 249.358 1.841 50 0 BDAARO O=C(C[NH+]1CCCCC1)NC1CCCCC1 ZINC000004993588 344890806 /nfs/dbraw/zinc/89/08/06/344890806.db2.gz PJVOOCBILLACQH-UHFFFAOYSA-N 1 0 224.348 1.921 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccoc1 ZINC000248155525 345059270 /nfs/dbraw/zinc/05/92/70/345059270.db2.gz VOQSJEYIHOSFPT-CHWSQXEVSA-N 1 0 248.326 1.978 50 0 BDAARO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)s1 ZINC000090849287 178842964 /nfs/dbraw/zinc/84/29/64/178842964.db2.gz FOGIEAXULJVSPO-ZYHUDNBSSA-N 1 0 241.356 1.859 50 0 BDAARO C(c1noc(C2CCOCC2)n1)[C@@H]1CC[NH2+]C1 ZINC000169676348 187302856 /nfs/dbraw/zinc/30/28/56/187302856.db2.gz BMGQCLWMANVSFZ-VIFPVBQESA-N 1 0 237.303 1.116 50 0 BDAARO CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)C1CC1 ZINC000189140572 345330842 /nfs/dbraw/zinc/33/08/42/345330842.db2.gz MTVPYOUOCBKPFR-JTQLQIEISA-N 1 0 248.392 1.045 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)C(C)(C)C ZINC000252511756 345537283 /nfs/dbraw/zinc/53/72/83/345537283.db2.gz KIRVRSRUXYZZDN-RWMBFGLXSA-N 1 0 240.391 1.874 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H]1C ZINC000236650499 192089558 /nfs/dbraw/zinc/08/95/58/192089558.db2.gz OVNBDJZGXHPUAN-MXWKQRLJSA-N 1 0 212.337 1.617 50 0 BDAARO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000183581032 345938843 /nfs/dbraw/zinc/93/88/43/345938843.db2.gz PEBQYRKQKNQPER-LOWVWBTDSA-N 1 0 247.342 1.324 50 0 BDAARO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000183581015 345938980 /nfs/dbraw/zinc/93/89/80/345938980.db2.gz PEBQYRKQKNQPER-DMDPSCGWSA-N 1 0 247.342 1.324 50 0 BDAARO CC(C)(C)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000184720056 345944429 /nfs/dbraw/zinc/94/44/29/345944429.db2.gz PNFKHDULZDLZHU-UHFFFAOYSA-N 1 0 213.321 1.871 50 0 BDAARO CCOC(=O)[C@H](C)N1CCS[C@@H](C)CC1 ZINC000192168592 346080732 /nfs/dbraw/zinc/08/07/32/346080732.db2.gz NEROHGVBNVQVJF-UWVGGRQHSA-N 1 0 231.361 1.765 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000063192688 179008228 /nfs/dbraw/zinc/00/82/28/179008228.db2.gz KVSXMJZKXXBHMD-DGCLKSJQSA-N 1 0 247.342 1.732 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])n1 ZINC000044540949 179008299 /nfs/dbraw/zinc/00/82/99/179008299.db2.gz ICHALZVGTDMSSP-LLVKDONJSA-N 1 0 233.315 1.343 50 0 BDAARO Cc1cccc(C(=O)NCCC[NH+]2CCCC2)n1 ZINC000044907270 179015784 /nfs/dbraw/zinc/01/57/84/179015784.db2.gz DHBQHSZPKJJQKC-UHFFFAOYSA-N 1 0 247.342 1.606 50 0 BDAARO Cc1cccc(C(=O)NCC[NH2+]C2CC2)c1 ZINC000054265875 179017433 /nfs/dbraw/zinc/01/74/33/179017433.db2.gz KFAAGGBVTLVSCX-UHFFFAOYSA-N 1 0 218.300 1.477 50 0 BDAARO CC1(C)[NH2+]CC[C@@H]1NCc1cccnc1 ZINC000334874506 187319498 /nfs/dbraw/zinc/31/94/98/187319498.db2.gz NWMIUWAAXASASQ-NSHDSACASA-N 1 0 205.305 1.312 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000000276939 179076927 /nfs/dbraw/zinc/07/69/27/179076927.db2.gz MAKIBNRGJCXOCW-ZDUSSCGKSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1cccc(OCC(=O)N2CCC[NH2+]CC2)c1 ZINC000041301310 179163539 /nfs/dbraw/zinc/16/35/39/179163539.db2.gz ZIQUNKQLTYSRPO-UHFFFAOYSA-N 1 0 248.326 1.196 50 0 BDAARO Cc1cccc(OCCN2CC[NH2+][C@@H](C)C2)c1 ZINC000040456352 179166014 /nfs/dbraw/zinc/16/60/14/179166014.db2.gz CDESRLLDRPFWFW-ZDUSSCGKSA-N 1 0 234.343 1.668 50 0 BDAARO Cc1cccc(OC[C@H](O)C[NH2+]C(C)C)c1 ZINC000003644104 179171656 /nfs/dbraw/zinc/17/16/56/179171656.db2.gz NXQMNKUGGYNLBY-GFCCVEGCSA-N 1 0 223.316 1.733 50 0 in-man BDAARO C[N@H+](CCC(N)=O)Cc1ccc(Cl)s1 ZINC000016343580 347170407 /nfs/dbraw/zinc/17/04/07/347170407.db2.gz BBLHXPWKBNFXSU-UHFFFAOYSA-N 1 0 232.736 1.709 50 0 BDAARO Cc1ccccc1CC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000091496291 179260774 /nfs/dbraw/zinc/26/07/74/179260774.db2.gz KBXZSDVFUSDXGW-JSGCOSHPSA-N 1 0 246.354 1.794 50 0 BDAARO Cc1ccccc1CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000111366363 179256990 /nfs/dbraw/zinc/25/69/90/179256990.db2.gz IHHWGUQDRPCEPL-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO CCc1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)o1 ZINC000195573585 347647870 /nfs/dbraw/zinc/64/78/70/347647870.db2.gz WMQLFXDEATWYGN-LLVKDONJSA-N 1 0 238.331 1.832 50 0 BDAARO OC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195576039 347648507 /nfs/dbraw/zinc/64/85/07/347648507.db2.gz LZLWOVHHTSUGAJ-KFWWJZLASA-N 1 0 249.354 1.341 50 0 BDAARO OC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000195576036 347648668 /nfs/dbraw/zinc/64/86/68/347648668.db2.gz LZLWOVHHTSUGAJ-RBSFLKMASA-N 1 0 249.354 1.341 50 0 BDAARO Cc1ccccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000000201578 179273236 /nfs/dbraw/zinc/27/32/36/179273236.db2.gz IBVOXLHCLFHMRS-ZDUSSCGKSA-N 1 0 205.301 1.952 50 0 BDAARO CCCC1(CNC(=O)[C@@H]2C=CC[NH2+]2)CCC1 ZINC000534676014 323159871 /nfs/dbraw/zinc/15/98/71/323159871.db2.gz QGEYCGSETIVJTM-NSHDSACASA-N 1 0 222.332 1.601 50 0 BDAARO Cc1ccccc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000011958539 179301503 /nfs/dbraw/zinc/30/15/03/179301503.db2.gz XEIFIFMRWBJMED-NSHDSACASA-N 1 0 206.289 1.917 50 0 BDAARO Cc1ccccc1[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000091412288 179347843 /nfs/dbraw/zinc/34/78/43/179347843.db2.gz ZMWWYKSGCZXEQE-CQSZACIVSA-N 1 0 244.338 1.878 50 0 BDAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCn1ccnn1 ZINC000152676256 362915697 /nfs/dbraw/zinc/91/56/97/362915697.db2.gz QBTMSMYWHHHYMF-OLZOCXBDSA-N 1 0 234.347 1.860 50 0 BDAARO Cc1ccoc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070175885 179503298 /nfs/dbraw/zinc/50/32/98/179503298.db2.gz FCOSDWYCFIZSTA-MWLCHTKSSA-N 1 0 236.315 1.787 50 0 BDAARO Cc1csc(NC(=O)C2CC[NH2+]CC2)n1 ZINC000019408340 179784581 /nfs/dbraw/zinc/78/45/81/179784581.db2.gz AIXICKICWBJJEB-UHFFFAOYSA-N 1 0 225.317 1.390 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000097159628 179825112 /nfs/dbraw/zinc/82/51/12/179825112.db2.gz LUIGXQWITFUVCK-SNVBAGLBSA-N 1 0 247.346 1.649 50 0 BDAARO Cc1nc([C@@H](C)N(C)CC[C@@H](C)O)no1 ZINC000252483048 180032571 /nfs/dbraw/zinc/03/25/71/180032571.db2.gz DTHDAJSXXKEHRX-HTQZYQBOSA-N 1 0 213.281 1.142 50 0 BDAARO CCNC(=O)NC[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1 ZINC000725255300 538051750 /nfs/dbraw/zinc/05/17/50/538051750.db2.gz YYKQCVCCZVDKAO-GWCFXTLKSA-N 1 0 241.379 1.849 50 0 BDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccsc1)CC2 ZINC000069778476 180114650 /nfs/dbraw/zinc/11/46/50/180114650.db2.gz AMKWFZRKGACMCE-LLVKDONJSA-N 1 0 248.355 1.753 50 0 BDAARO Cc1ncc(C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000097642183 180130036 /nfs/dbraw/zinc/13/00/36/180130036.db2.gz VLCSZAKWCLZCFF-UHFFFAOYSA-N 1 0 248.330 1.001 50 0 BDAARO CCS(=O)(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000048286750 350810694 /nfs/dbraw/zinc/81/06/94/350810694.db2.gz HFALLBBXVXBGTA-UHFFFAOYSA-N 1 0 248.392 1.189 50 0 BDAARO Clc1ccc(CN2CC[NH2+]CC2)s1 ZINC000019737249 180578819 /nfs/dbraw/zinc/57/88/19/180578819.db2.gz NPDBVJVCPISXFL-UHFFFAOYSA-N 1 0 216.737 1.807 50 0 BDAARO C[N@H+](CCC(=O)NC(N)=O)C1CCCCCC1 ZINC000044892049 352479793 /nfs/dbraw/zinc/47/97/93/352479793.db2.gz VSMCUNBJOAUKPC-UHFFFAOYSA-N 1 0 241.335 1.226 50 0 BDAARO Cn1ccnc1SC[C@H]1CCCC[NH2+]1 ZINC000043495223 180754302 /nfs/dbraw/zinc/75/43/02/180754302.db2.gz GSBMPLSYKWZNSE-SECBINFHSA-N 1 0 211.334 1.654 50 0 BDAARO CCSCC[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000412040042 191248886 /nfs/dbraw/zinc/24/88/86/191248886.db2.gz LGYANKUXNTYPJK-JTQLQIEISA-N 1 0 240.376 1.656 50 0 BDAARO Cn1nc(C2CC[NH2+]CC2)c2cccnc21 ZINC000019686104 180804604 /nfs/dbraw/zinc/80/46/04/180804604.db2.gz JZVFOWRKQWZNFC-UHFFFAOYSA-N 1 0 216.288 1.435 50 0 BDAARO C[n+]1ccccc1I ZINC000000556237 187925325 /nfs/dbraw/zinc/92/53/25/187925325.db2.gz WTBMMENXWDHRKE-UHFFFAOYSA-N 1 0 220.033 1.116 50 0 BDAARO C[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000019088442 187935004 /nfs/dbraw/zinc/93/50/04/187935004.db2.gz 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NGUODDNTFREWLJ-UHFFFAOYSA-N 1 0 210.321 1.687 50 0 BDAARO [NH3+]CC1(c2ccccc2F)CCOCC1 ZINC000011885924 181362438 /nfs/dbraw/zinc/36/24/38/181362438.db2.gz GHWCDYSBZXDILZ-UHFFFAOYSA-N 1 0 209.264 1.833 50 0 BDAARO [NH3+]CCC(=O)NCc1ccc(Cl)cc1 ZINC000011755133 181367945 /nfs/dbraw/zinc/36/79/45/181367945.db2.gz WIWVDERGKHWGCH-UHFFFAOYSA-N 1 0 212.680 1.305 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1ccc(C)nc1C ZINC000087152341 364766666 /nfs/dbraw/zinc/76/66/66/364766666.db2.gz XSCZHKPFGOTFEL-SECBINFHSA-N 1 0 207.277 1.374 50 0 BDAARO [NH3+]CCCC(=O)N1CCc2sccc2C1 ZINC000019424023 181371820 /nfs/dbraw/zinc/37/18/20/181371820.db2.gz JIFAVPPPKXRAMF-UHFFFAOYSA-N 1 0 224.329 1.372 50 0 BDAARO [NH3+]CCCN1Cc2ccc(Cl)cc2C1=O ZINC000040449780 181381268 /nfs/dbraw/zinc/38/12/68/181381268.db2.gz BNVOINWHQBNWTI-UHFFFAOYSA-N 1 0 224.691 1.645 50 0 BDAARO [NH3+]CCCNC(=O)c1ccc(Cl)cc1 ZINC000019484937 181382565 /nfs/dbraw/zinc/38/25/65/181382565.db2.gz ARAMGZSYSVCEHJ-UHFFFAOYSA-N 1 0 212.680 1.419 50 0 BDAARO [NH3+]CCCc1nc(-c2ccncc2)no1 ZINC000020268709 181386852 /nfs/dbraw/zinc/38/68/52/181386852.db2.gz JBDUHASFKTZIII-UHFFFAOYSA-N 1 0 204.233 1.023 50 0 BDAARO [NH3+]CCCn1nc2c(c1C(F)(F)F)CCC2 ZINC000012394773 181389070 /nfs/dbraw/zinc/38/90/70/181389070.db2.gz UOPVKBJKKSRTPF-UHFFFAOYSA-N 1 0 233.237 1.739 50 0 BDAARO [NH3+]CCOCCSc1ccc(F)cc1 ZINC000057497316 181399444 /nfs/dbraw/zinc/39/94/44/181399444.db2.gz DXGSOHVFLILONM-UHFFFAOYSA-N 1 0 215.293 1.893 50 0 BDAARO CC/C=C(\C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000215396527 370860614 /nfs/dbraw/zinc/86/06/14/370860614.db2.gz RWKFFCXJNJDUTR-JXDHDYMSSA-N 1 0 224.348 1.849 50 0 BDAARO COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000197244892 368396479 /nfs/dbraw/zinc/39/64/79/368396479.db2.gz VNJDWHIKXSJJGX-NWDGAFQWSA-N 1 0 219.284 1.505 50 0 BDAARO CCC[N@@H+]1CC[C@@H](CNc2ccncc2F)C1 ZINC000584890901 369038656 /nfs/dbraw/zinc/03/86/56/369038656.db2.gz MARAEQKDHRGPLA-NSHDSACASA-N 1 0 237.322 1.786 50 0 BDAARO CCCc1cc(C[NH2+][C@H]2CN3CCC2CC3)on1 ZINC000584890733 369038722 /nfs/dbraw/zinc/03/87/22/369038722.db2.gz UZIFSWWEDDHQQQ-AWEZNQCLSA-N 1 0 249.358 1.811 50 0 BDAARO CCOCCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000584891412 369038760 /nfs/dbraw/zinc/03/87/60/369038760.db2.gz RSOKJSQOQRCLJV-GHMZBOCLSA-N 1 0 228.336 1.012 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000070393848 181461552 /nfs/dbraw/zinc/46/15/52/181461552.db2.gz ORRFIMOCGYGGJR-ZYHUDNBSSA-N 1 0 246.310 1.112 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1O ZINC000019840124 371193910 /nfs/dbraw/zinc/19/39/10/371193910.db2.gz YIONPZZGQSPBEL-NSHDSACASA-N 1 0 248.326 1.606 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000237921358 181586788 /nfs/dbraw/zinc/58/67/88/181586788.db2.gz MNCQTIITVDGPOL-AGIUHOORSA-N 1 0 248.301 1.489 50 0 BDAARO C[C@@H](CO)[NH2+]Cc1cnc(-c2cccnc2)s1 ZINC000080337550 371276257 /nfs/dbraw/zinc/27/62/57/371276257.db2.gz NMGFOPBYBIPBNN-VIFPVBQESA-N 1 0 249.339 1.676 50 0 BDAARO C[C@H]1C[N@H+](CCCO)CCN1c1nccs1 ZINC000095373372 371276628 /nfs/dbraw/zinc/27/66/28/371276628.db2.gz BYFQJCWGOAJORR-JTQLQIEISA-N 1 0 241.360 1.036 50 0 BDAARO COC(=O)NCCCCC[NH2+]C(C)(C)C ZINC000096027337 371382589 /nfs/dbraw/zinc/38/25/89/371382589.db2.gz FKMNWNYJLIQOET-UHFFFAOYSA-N 1 0 216.325 1.901 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000606441846 372103499 /nfs/dbraw/zinc/10/34/99/372103499.db2.gz JYOGZZUJWDGGLL-GZTOBOFZSA-N 1 0 248.301 1.646 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1cccc(OC)c1OC ZINC000004298882 372197693 /nfs/dbraw/zinc/19/76/93/372197693.db2.gz CWCVHFKPNIHISS-VIFPVBQESA-N 1 0 239.271 1.267 50 0 BDAARO O=C(CSC(F)(F)F)N1CCC[NH2+]CC1 ZINC000253393539 182005738 /nfs/dbraw/zinc/00/57/38/182005738.db2.gz GJQUZBFHELOYPA-UHFFFAOYSA-N 1 0 242.266 1.061 50 0 BDAARO O=C(Cc1ccccc1)OC1CC[NH2+]CC1 ZINC000042768731 182044190 /nfs/dbraw/zinc/04/41/90/182044190.db2.gz YRZOSCCMKZVVDV-UHFFFAOYSA-N 1 0 219.284 1.524 50 0 BDAARO O=C(NC1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000019408982 182113214 /nfs/dbraw/zinc/11/32/14/182113214.db2.gz VFIIKPDGRULRPR-JTQLQIEISA-N 1 0 210.321 1.435 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1cccs1 ZINC000020271967 182116040 /nfs/dbraw/zinc/11/60/40/182116040.db2.gz IFCJNYVRWTVMLJ-UHFFFAOYSA-N 1 0 210.302 1.230 50 0 BDAARO O=C(NCC1CC[NH2+]CC1)OCc1ccccc1 ZINC000016697367 182147498 /nfs/dbraw/zinc/14/74/98/182147498.db2.gz BZHPVEHRXAKHMV-UHFFFAOYSA-N 1 0 248.326 1.912 50 0 BDAARO Cc1ncccc1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069660458 373570838 /nfs/dbraw/zinc/57/08/38/373570838.db2.gz CXSWWLGGEJHRKW-LBPRGKRZSA-N 1 0 243.314 1.086 50 0 BDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccccn1)CC2 ZINC000069706026 373626437 /nfs/dbraw/zinc/62/64/37/373626437.db2.gz FHERIUISABXXRP-GFCCVEGCSA-N 1 0 243.314 1.086 50 0 BDAARO CCCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000095943868 168850199 /nfs/dbraw/zinc/85/01/99/168850199.db2.gz JSSWJCVEDWENGX-NSHDSACASA-N 1 0 227.352 1.380 50 0 BDAARO CCCC[N@H+](C)C[C@@]1(O)CCCN(C)C1 ZINC000041123499 374110536 /nfs/dbraw/zinc/11/05/36/374110536.db2.gz ZNPJNWVKTHZEFT-LBPRGKRZSA-N 1 0 214.353 1.175 50 0 BDAARO CC(C)(C)C(=O)NCCC[NH+]1CCCC1 ZINC000041980888 374234348 /nfs/dbraw/zinc/23/43/48/374234348.db2.gz UEVPEYUXONIXSV-UHFFFAOYSA-N 1 0 212.337 1.635 50 0 BDAARO O=C(N[C@@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000002527478 182304751 /nfs/dbraw/zinc/30/47/51/182304751.db2.gz DSOICHFMGRBFCM-LLVKDONJSA-N 1 0 220.272 1.275 50 0 BDAARO O=C(N[C@@H]1C[C@@]12CC[NH2+]C2)OCc1ccccc1 ZINC000095743047 182317204 /nfs/dbraw/zinc/31/72/04/182317204.db2.gz OBLBAUYGDPXCDX-TZMCWYRMSA-N 1 0 246.310 1.665 50 0 BDAARO O=C(Nc1cnc2n1CCCC2)C1CC[NH2+]CC1 ZINC000067560269 182392077 /nfs/dbraw/zinc/39/20/77/182392077.db2.gz ILQATNPTJWMIPV-UHFFFAOYSA-N 1 0 248.330 1.158 50 0 BDAARO O=C(OCc1ccccc1)N1CC[C@@]2(CC[NH2+]2)C1 ZINC000091302505 182605426 /nfs/dbraw/zinc/60/54/26/182605426.db2.gz OOQXVAQAZSHCCR-AWEZNQCLSA-N 1 0 246.310 1.761 50 0 BDAARO OCC1([NH2+]Cc2cccc3c2OCO3)CCCC1 ZINC000053045009 183038709 /nfs/dbraw/zinc/03/87/09/183038709.db2.gz JMZNAUFUHWDLFS-UHFFFAOYSA-N 1 0 249.310 1.810 50 0 BDAARO OCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083890158 183054809 /nfs/dbraw/zinc/05/48/09/183054809.db2.gz MANFMVLAFYHMKM-UHFFFAOYSA-N 1 0 211.227 1.643 50 0 BDAARO OCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000000410008 183073105 /nfs/dbraw/zinc/07/31/05/183073105.db2.gz PLCDPSWDOGWXTI-UHFFFAOYSA-N 1 0 203.285 1.768 50 0 BDAARO OCC[NH2+]CCCCOc1ccc(F)cc1 ZINC000002902132 183077109 /nfs/dbraw/zinc/07/71/09/183077109.db2.gz XEUMMNXVACCSIW-UHFFFAOYSA-N 1 0 227.279 1.567 50 0 BDAARO OCCNc1nc2cc(Cl)ccc2[nH]1 ZINC000003876752 183081186 /nfs/dbraw/zinc/08/11/86/183081186.db2.gz VQHNSHMJBRVDAH-UHFFFAOYSA-N 1 0 211.652 1.621 50 0 aggregator BDAARO OC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000000247541 183118849 /nfs/dbraw/zinc/11/88/49/183118849.db2.gz RWUHIEKWDSZKEQ-SNVBAGLBSA-N 1 0 211.330 1.952 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000023114849 183150123 /nfs/dbraw/zinc/15/01/23/183150123.db2.gz XJOLZGNBOXJMQY-LBPRGKRZSA-N 1 0 221.300 1.597 50 0 BDAARO O[C@@H](C[NH2+]CCc1ccccc1)C(F)(F)F ZINC000003884235 183178826 /nfs/dbraw/zinc/17/88/26/183178826.db2.gz MLJRBCBVNZITOI-JTQLQIEISA-N 1 0 233.233 1.742 50 0 BDAARO O[C@@H](C[NH2+]C1CCOCC1)c1ccccc1F ZINC000037893092 183179692 /nfs/dbraw/zinc/17/96/92/183179692.db2.gz QXECRANRYNEODQ-ZDUSSCGKSA-N 1 0 239.290 1.628 50 0 BDAARO O[C@@H](COCc1ccccc1)C[NH+]1CCCC1 ZINC000000177592 183181847 /nfs/dbraw/zinc/18/18/47/183181847.db2.gz GPGFZYXTSUJNFM-CQSZACIVSA-N 1 0 235.327 1.660 50 0 BDAARO CCCN(C)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000087221951 169057939 /nfs/dbraw/zinc/05/79/39/169057939.db2.gz HTLDGZNTGDVFGG-WDEREUQCSA-N 1 0 212.337 1.762 50 0 BDAARO CCC[N@H+](C)CC(=O)NCC(F)(F)F ZINC000040540196 169069455 /nfs/dbraw/zinc/06/94/55/169069455.db2.gz BKYXWGRSHCGHKA-UHFFFAOYSA-N 1 0 212.215 1.007 50 0 BDAARO O[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000217849 183192124 /nfs/dbraw/zinc/19/21/24/183192124.db2.gz JBVQWOPQNKMKGR-CYBMUJFWSA-N 1 0 205.301 1.686 50 0 BDAARO O[C@@H]1CCC[NH2+][C@H]1CCc1ccccc1 ZINC000075130776 183193814 /nfs/dbraw/zinc/19/38/14/183193814.db2.gz MEMLNRRWCTXOSH-QWHCGFSZSA-N 1 0 205.301 1.732 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000110614412 169111135 /nfs/dbraw/zinc/11/11/35/169111135.db2.gz JLFQTWKWPAQSQK-GHMZBOCLSA-N 1 0 242.363 1.387 50 0 BDAARO O[C@H]1Cc2ccccc2C12CC[NH2+]CC2 ZINC000034542984 183249359 /nfs/dbraw/zinc/24/93/59/183249359.db2.gz DBCKHYVIUIDGOH-LBPRGKRZSA-N 1 0 203.285 1.225 50 0 BDAARO O[C@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000061707879 183237669 /nfs/dbraw/zinc/23/76/69/183237669.db2.gz YRIUYYKTCASZNS-JTQLQIEISA-N 1 0 241.718 1.785 50 0 BDAARO CCC[N@H+](CCO)C[C@@H](O)c1ccc(F)cc1 ZINC000066346152 169165505 /nfs/dbraw/zinc/16/55/05/169165505.db2.gz ZNWURPCTDJOZAV-CYBMUJFWSA-N 1 0 241.306 1.563 50 0 BDAARO c1cc(C2CC2)cnc1CN1CC[NH2+]CC1 ZINC000082643028 183344497 /nfs/dbraw/zinc/34/44/97/183344497.db2.gz DYQHSVOCWHRXAN-UHFFFAOYSA-N 1 0 217.316 1.364 50 0 BDAARO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(O)cn2)C1 ZINC000216253444 169208572 /nfs/dbraw/zinc/20/85/72/169208572.db2.gz NQTCVAIEOHHMIP-JTQLQIEISA-N 1 0 249.314 1.001 50 0 BDAARO CCCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076147668 169219306 /nfs/dbraw/zinc/21/93/06/169219306.db2.gz DAYPNXYGRUUPEJ-MNOVXSKESA-N 1 0 244.404 1.729 50 0 BDAARO c1nc2c([nH]1)[C@@H](c1ccncc1)[NH2+]CC2 ZINC000008733350 183363275 /nfs/dbraw/zinc/36/32/75/183363275.db2.gz RLBFZHROWYDVOA-SNVBAGLBSA-N 1 0 200.245 1.040 50 0 biogenic BDAARO CCCNC(=O)[C@H](C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229676827 169245780 /nfs/dbraw/zinc/24/57/80/169245780.db2.gz FEFAUEDXNZKKOQ-UTUOFQBUSA-N 1 0 226.364 1.879 50 0 BDAARO c1ccc(C23CC4CN(C2)CC[N@H+](C4)C3)cc1 ZINC000019300021 183389540 /nfs/dbraw/zinc/38/95/40/183389540.db2.gz HFLGGYOWRMUEKD-UHFFFAOYSA-N 1 0 228.339 1.576 50 0 BDAARO c1cc(C[NH2+]CCc2ccccn2)n[nH]1 ZINC000036900044 183393994 /nfs/dbraw/zinc/39/39/94/183393994.db2.gz XRXHWYAGFVDGLW-UHFFFAOYSA-N 1 0 202.261 1.137 50 0 BDAARO c1cn(C2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000097047174 183396560 /nfs/dbraw/zinc/39/65/60/183396560.db2.gz LPJTWGVZACDSLE-UHFFFAOYSA-N 1 0 243.314 1.510 50 0 BDAARO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000095399530 169312172 /nfs/dbraw/zinc/31/21/72/169312172.db2.gz BKIXVAGWEMOMFB-NWDGAFQWSA-N 1 0 242.363 1.354 50 0 BDAARO CCCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000097163490 169329655 /nfs/dbraw/zinc/32/96/55/169329655.db2.gz OPTPWZGLQVRZQX-RYUDHWBXSA-N 1 0 247.404 1.980 50 0 BDAARO CCCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000097163491 169329881 /nfs/dbraw/zinc/32/98/81/169329881.db2.gz OPTPWZGLQVRZQX-VXGBXAGGSA-N 1 0 247.404 1.980 50 0 BDAARO CCC[C@@H](C)[NH+]1CCN(C(=O)CCOC)CC1 ZINC000252488394 169367274 /nfs/dbraw/zinc/36/72/74/169367274.db2.gz IRADQXFKGXQARF-GFCCVEGCSA-N 1 0 242.363 1.356 50 0 BDAARO CC(C)[C@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000232763862 259599283 /nfs/dbraw/zinc/59/92/83/259599283.db2.gz ISMKWEAFUHHREH-CABZTGNLSA-N 1 0 226.295 1.888 50 0 BDAARO c1coc(-c2csc(CN3CC[NH2+]CC3)n2)c1 ZINC000026423650 183505111 /nfs/dbraw/zinc/50/51/11/183505111.db2.gz CFJMOAYDTVRJIV-UHFFFAOYSA-N 1 0 249.339 1.808 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000083050233 166651831 /nfs/dbraw/zinc/65/18/31/166651831.db2.gz NVINVTWMFWHTFK-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000034371239 166653880 /nfs/dbraw/zinc/65/38/80/166653880.db2.gz MNJCZOJFFXXZKR-VIFPVBQESA-N 1 0 228.336 1.981 50 0 BDAARO CC(C)(C)OC(=O)NC(C)(C)C(N)=[NH2+] ZINC000042462952 166660074 /nfs/dbraw/zinc/66/00/74/166660074.db2.gz DCXBIFZMNZLFKT-UHFFFAOYSA-N 1 0 201.270 1.226 50 0 BDAARO C[C@@H]1N(O)C(C)(C)C(c2ccc(F)cc2)[N+]1=O ZINC000000201494 383843013 /nfs/dbraw/zinc/84/30/13/383843013.db2.gz JXMOARQKBCWQAI-QMMMGPOBSA-N 1 0 238.262 1.955 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000000263196 383849041 /nfs/dbraw/zinc/84/90/41/383849041.db2.gz QNMAKJPRKQTXCB-SNVBAGLBSA-N 1 0 239.315 1.828 50 0 BDAARO Cc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000000296740 383850332 /nfs/dbraw/zinc/85/03/32/383850332.db2.gz MJXGIIVJTPVZCW-LBPRGKRZSA-N 1 0 223.316 1.733 50 0 BDAARO [NH3+]Cc1ccc(-c2nc([C@H]3CCOC3)no2)cc1 ZINC000087804023 383866010 /nfs/dbraw/zinc/86/60/10/383866010.db2.gz JJKGTFCWJDMSKE-NSHDSACASA-N 1 0 245.282 1.699 50 0 BDAARO [NH3+][C@H]1CC[C@@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000091546464 383918513 /nfs/dbraw/zinc/91/85/13/383918513.db2.gz BUANGQNRIZHFLG-MFKMUULPSA-N 1 0 230.311 1.656 50 0 BDAARO C[NH+](C)[C@@H](CNc1ncccc1F)C1CC1 ZINC000091481311 383918834 /nfs/dbraw/zinc/91/88/34/383918834.db2.gz OYJQUAXRFOZQCK-NSHDSACASA-N 1 0 223.295 1.973 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)N2CCCC2)c1 ZINC000036379701 383900810 /nfs/dbraw/zinc/90/08/10/383900810.db2.gz AZAUJSBIJWEGND-UHFFFAOYSA-N 1 0 219.288 1.773 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)o1 ZINC000255130989 384001876 /nfs/dbraw/zinc/00/18/76/384001876.db2.gz NWKWHICJKXETIQ-DOGVGXBMSA-N 1 0 234.299 1.408 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000050246159 383985489 /nfs/dbraw/zinc/98/54/89/383985489.db2.gz KJHMHAAUELOAOR-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000091689073 383935878 /nfs/dbraw/zinc/93/58/78/383935878.db2.gz FPRLPQVVPDEPBQ-NEPJUHHUSA-N 1 0 220.316 1.674 50 0 BDAARO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH3+] ZINC000002454834 383963703 /nfs/dbraw/zinc/96/37/03/383963703.db2.gz DNRVVNWLPSBPDV-QWRGUYRKSA-N 1 0 223.316 1.899 50 0 BDAARO C[C@@H]1C[C@]2(O)c3ccccc3N(C)[C@@H]2[NH2+]1 ZINC000071773157 384001480 /nfs/dbraw/zinc/00/14/80/384001480.db2.gz BCXMVWNDJBSFKC-ZHAHWJHGSA-N 1 0 204.273 1.032 50 0 BDAARO C[C@]([NH3+])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037460086 383977828 /nfs/dbraw/zinc/97/78/28/383977828.db2.gz UNGTZAKKKXQMGE-SECBINFHSA-N 1 0 232.205 1.365 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CCCOC1 ZINC000309573762 384029564 /nfs/dbraw/zinc/02/95/64/384029564.db2.gz OICZKMBJCFDHAR-AVGNSLFASA-N 1 0 226.364 1.485 50 0 BDAARO c1[nH]c2ccccc2c1CN1CCC[NH2+]CC1 ZINC000038087063 384066301 /nfs/dbraw/zinc/06/63/01/384066301.db2.gz QOWGNRASWUUKJV-UHFFFAOYSA-N 1 0 229.327 1.963 50 0 BDAARO Cc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000004637217 384072108 /nfs/dbraw/zinc/07/21/08/384072108.db2.gz SVKCSYVDFSFJPN-LBPRGKRZSA-N 1 0 213.284 1.953 50 0 BDAARO Cn1cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050595878 384102597 /nfs/dbraw/zinc/10/25/97/384102597.db2.gz NFEPGKWTVCGLMK-LBPRGKRZSA-N 1 0 233.359 1.599 50 0 BDAARO CCc1ccc2[nH]c3c(c(=O)c2c1)C[NH2+]CC3 ZINC000070451505 384109164 /nfs/dbraw/zinc/10/91/64/384109164.db2.gz GDXVMQHQYIDZCQ-UHFFFAOYSA-N 1 0 228.295 1.736 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]CCC[C@H]21 ZINC000091302531 384114117 /nfs/dbraw/zinc/11/41/17/384114117.db2.gz FDFLOMHRKLYFOT-DTWKUNHWSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)=CC(=O)N1C[C@H]([NH+](C)C)[C@@H](C(C)C)C1 ZINC000091624593 384134914 /nfs/dbraw/zinc/13/49/14/384134914.db2.gz JHBTUAZMXCPNHB-OLZOCXBDSA-N 1 0 238.375 1.997 50 0 BDAARO CC[C@@H](CC[NH3+])NC(=O)OC(C)(C)C ZINC000039952157 384125023 /nfs/dbraw/zinc/12/50/23/384125023.db2.gz OSIXHRIEVUPMDB-QMMMGPOBSA-N 1 0 202.298 1.639 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1Cl ZINC000005795269 384129384 /nfs/dbraw/zinc/12/93/84/384129384.db2.gz SLAZPLCFIDCABY-UHFFFAOYSA-N 1 0 240.734 1.940 50 0 BDAARO C1COC2(CCC([NH+]3CCOCC3)CC2)O1 ZINC000071250507 384154889 /nfs/dbraw/zinc/15/48/89/384154889.db2.gz JDGLFTXYDPTSQZ-UHFFFAOYSA-N 1 0 227.304 1.004 50 0 BDAARO [NH3+][C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1F ZINC000071654962 384173007 /nfs/dbraw/zinc/17/30/07/384173007.db2.gz AVWBDFXDXCRQCS-WDEREUQCSA-N 1 0 238.262 1.304 50 0 BDAARO C[N@H+](Cc1ccncc1F)[C@@H]1CCC[C@H]1O ZINC000336229249 384172950 /nfs/dbraw/zinc/17/29/50/384172950.db2.gz UDBBUPADDPMRDO-VXGBXAGGSA-N 1 0 224.279 1.566 50 0 BDAARO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1F ZINC000071654957 384173428 /nfs/dbraw/zinc/17/34/28/384173428.db2.gz AVWBDFXDXCRQCS-MNOVXSKESA-N 1 0 238.262 1.304 50 0 BDAARO Cn1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000236093053 384182091 /nfs/dbraw/zinc/18/20/91/384182091.db2.gz WIEGKGYINUDJHW-JTQLQIEISA-N 1 0 236.319 1.137 50 0 BDAARO C[C@@H](CC(N)=O)[NH2+]CCC1Cc2ccccc2C1 ZINC000090853864 384187132 /nfs/dbraw/zinc/18/71/32/384187132.db2.gz NIOFWTZBDYWSHI-NSHDSACASA-N 1 0 246.354 1.645 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@](C)([NH3+])C1 ZINC000072193748 384198793 /nfs/dbraw/zinc/19/87/93/384198793.db2.gz BSSYZMZEARMCMK-NSHDSACASA-N 1 0 214.309 1.735 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC(C[NH3+])CC1 ZINC000082641478 384252812 /nfs/dbraw/zinc/25/28/12/384252812.db2.gz KMOYMBHKARYVHB-ONNFQVAWSA-N 1 0 210.321 1.540 50 0 BDAARO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000073657429 384259228 /nfs/dbraw/zinc/25/92/28/384259228.db2.gz NURXHODEVCLVNT-RKDXNWHRSA-N 1 0 214.309 1.652 50 0 BDAARO Cc1nc(-c2ccncc2)sc1C[NH3+] ZINC000012370598 384312834 /nfs/dbraw/zinc/31/28/34/384312834.db2.gz HSWRYUZXDMQDGC-UHFFFAOYSA-N 1 0 205.286 1.972 50 0 BDAARO Cc1cc(C(F)(F)F)n(C[C@@H](C)C[NH3+])n1 ZINC000012395526 384316817 /nfs/dbraw/zinc/31/68/17/384316817.db2.gz KXBCPRSVJPVCNI-LURJTMIESA-N 1 0 221.226 1.805 50 0 BDAARO CCN(CC)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000097010812 384279220 /nfs/dbraw/zinc/27/92/20/384279220.db2.gz TUBWTXROYMMMBC-NSHDSACASA-N 1 0 227.352 1.522 50 0 BDAARO COC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011754461 384294196 /nfs/dbraw/zinc/29/41/96/384294196.db2.gz DCIIDUWEEGRJPX-NSHDSACASA-N 1 0 248.282 1.164 50 0 BDAARO [NH3+]Cc1cc(Br)cc2c1OCOC2 ZINC000011850997 384297536 /nfs/dbraw/zinc/29/75/36/384297536.db2.gz KEKPVEVBDTYPNA-UHFFFAOYSA-N 1 0 244.088 1.774 50 0 biogenic BDAARO [NH3+]C[C@@H](O)c1cccc(Br)c1 ZINC000013517477 384361996 /nfs/dbraw/zinc/36/19/96/384361996.db2.gz MKDZOLCWDXTLIF-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO Cc1cnc(N2CC[NH+](CC3CCC3)CC2)nc1 ZINC000095378059 384370661 /nfs/dbraw/zinc/37/06/61/384370661.db2.gz LBFDMWXGZFPEFL-UHFFFAOYSA-N 1 0 246.358 1.707 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC000095743087 384392286 /nfs/dbraw/zinc/39/22/86/384392286.db2.gz YFIXLOOYHRDQJF-IUCAKERBSA-N 1 0 232.299 1.459 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH3+])C1 ZINC000095742860 384393289 /nfs/dbraw/zinc/39/32/89/384393289.db2.gz PIFXVPWOUHXSLO-IUCAKERBSA-N 1 0 214.309 1.639 50 0 BDAARO [NH3+]Cc1cc(Br)cc2c1OCC2 ZINC000095829392 384400546 /nfs/dbraw/zinc/40/05/46/384400546.db2.gz URLRPGRLNYNULW-UHFFFAOYSA-N 1 0 228.089 1.843 50 0 BDAARO C[C@@H](O)CN1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000071864531 384406896 /nfs/dbraw/zinc/40/68/96/384406896.db2.gz NXHMGKAEFFOXRS-CHWSQXEVSA-N 1 0 240.391 1.564 50 0 BDAARO [NH3+]Cc1cc(Br)ncc1F ZINC000095631138 384384946 /nfs/dbraw/zinc/38/49/46/384384946.db2.gz JRTJYHCCHNIESB-UHFFFAOYSA-N 1 0 205.030 1.442 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]CC12CCC2 ZINC000095642296 384385699 /nfs/dbraw/zinc/38/56/99/384385699.db2.gz YZZOBJMUDHAXFE-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO CC[C@H]1CN(c2nccc(N)n2)CC[N@@H+]1C(C)C ZINC000096149811 384437614 /nfs/dbraw/zinc/43/76/14/384437614.db2.gz RXFOOUYSRLLKTC-NSHDSACASA-N 1 0 249.362 1.368 50 0 BDAARO C[C@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000097231139 384460340 /nfs/dbraw/zinc/46/03/40/384460340.db2.gz HKGDJZSORJNGMS-VHSXEESVSA-N 1 0 211.280 1.900 50 0 BDAARO Cc1ccc(O)c(C[NH2+]CC2(O)CCCC2)n1 ZINC000096478909 384461362 /nfs/dbraw/zinc/46/13/62/384461362.db2.gz OJBXCRWCTISJHZ-UHFFFAOYSA-N 1 0 236.315 1.490 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000016603262 384463521 /nfs/dbraw/zinc/46/35/21/384463521.db2.gz XFLUXMQFTGLZIJ-UHFFFAOYSA-N 1 0 232.327 1.819 50 0 BDAARO CCc1ccc(COC[C@@H]2CC[NH2+]C2)nc1 ZINC000096663621 384472646 /nfs/dbraw/zinc/47/26/46/384472646.db2.gz WQBYSKJVSBGSST-GFCCVEGCSA-N 1 0 220.316 1.770 50 0 BDAARO CCc1cccc2c1N(C(=O)[C@@H]([NH3+])CC)CC2 ZINC000097019121 384498852 /nfs/dbraw/zinc/49/88/52/384498852.db2.gz VLKVRWMXWYTAGZ-LBPRGKRZSA-N 1 0 232.327 1.875 50 0 BDAARO [NH3+]CCc1csc(-c2cnccn2)n1 ZINC000019092188 384510988 /nfs/dbraw/zinc/51/09/88/384510988.db2.gz FOWBCLPVGCFPKY-UHFFFAOYSA-N 1 0 206.274 1.101 50 0 in-vitro BDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)COC ZINC000066405430 384514608 /nfs/dbraw/zinc/51/46/08/384514608.db2.gz YUSUERYQLDEGLG-RYUDHWBXSA-N 1 0 242.363 1.402 50 0 BDAARO O=C(Nc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000019410761 384522065 /nfs/dbraw/zinc/52/20/65/384522065.db2.gz PUAIYAJUDSEEDX-SSDOTTSWSA-N 1 0 211.290 1.081 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000019413567 384523099 /nfs/dbraw/zinc/52/30/99/384523099.db2.gz AENGNNDYRORZDA-CYBMUJFWSA-N 1 0 232.327 1.787 50 0 BDAARO CC(=O)c1cccc(OCC[NH+](C)C)c1 ZINC000019514720 384528652 /nfs/dbraw/zinc/52/86/52/384528652.db2.gz XHHBWAMNZNCRKG-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 BDAARO CN(CC[NH+](C)C)Cc1ccccc1F ZINC000019606640 384529489 /nfs/dbraw/zinc/52/94/89/384529489.db2.gz UXXVCRSVHHSMGD-UHFFFAOYSA-N 1 0 210.296 1.819 50 0 BDAARO Cc1csc[n+]1Cc1cccnc1N ZINC000019801355 384540255 /nfs/dbraw/zinc/54/02/55/384540255.db2.gz ZHNFHENNDIMSHN-UHFFFAOYSA-N 1 0 206.294 1.370 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000100019746 384609002 /nfs/dbraw/zinc/60/90/02/384609002.db2.gz NZJKEPNCNBWESN-OWUUHHOZSA-N 1 0 226.320 1.876 50 0 BDAARO c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000020286359 384609373 /nfs/dbraw/zinc/60/93/73/384609373.db2.gz AFYZAHZKOFBVLE-UONOGXRCSA-N 1 0 216.328 1.870 50 0 BDAARO [NH3+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000020268678 384610657 /nfs/dbraw/zinc/61/06/57/384610657.db2.gz CDOGBSWHYDXOBD-UHFFFAOYSA-N 1 0 223.663 1.891 50 0 BDAARO Cc1cnn(CC[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000123996723 384602298 /nfs/dbraw/zinc/60/22/98/384602298.db2.gz ZARRNSJIOOSWBP-LLVKDONJSA-N 1 0 233.319 1.276 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H](C[NH3+])CC1 ZINC000082350122 384671745 /nfs/dbraw/zinc/67/17/45/384671745.db2.gz RBXNJDUXLOZOIR-JTQLQIEISA-N 1 0 228.336 1.982 50 0 BDAARO CC(C)(C)OC(=O)[C@H](N)CCCCCC[NH3+] ZINC000082048600 384645083 /nfs/dbraw/zinc/64/50/83/384645083.db2.gz YMBWPWAWAGVECD-SNVBAGLBSA-N 1 0 230.352 1.565 50 0 BDAARO c1ccc(CN2C[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000082381431 384675704 /nfs/dbraw/zinc/67/57/04/384675704.db2.gz HSZHVFDKBROTBA-STQMWFEESA-N 1 0 202.301 1.480 50 0 BDAARO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082930908 384726450 /nfs/dbraw/zinc/72/64/50/384726450.db2.gz ANQRCZQKWVDTIB-DGCLKSJQSA-N 1 0 205.301 1.889 50 0 BDAARO CC[N@@H+]1CCN(c2cc(Cl)ncn2)C[C@@H]1C ZINC000082485495 384687494 /nfs/dbraw/zinc/68/74/94/384687494.db2.gz IUGCGTHWIPOSIF-VIFPVBQESA-N 1 0 240.738 1.660 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH3+])C1 ZINC000101788110 384690050 /nfs/dbraw/zinc/69/00/50/384690050.db2.gz ACDLXPYQWYTZLE-ZKCHVHJHSA-N 1 0 200.282 1.248 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H](F)C1 ZINC000051971088 384708277 /nfs/dbraw/zinc/70/82/77/384708277.db2.gz ZQRYPCAUVKVMLZ-SFYZADRCSA-N 1 0 218.272 1.293 50 0 BDAARO c1ccc2c(c1)CC[C@@H]2N1CC[NH2+]CC1 ZINC000022798680 384776754 /nfs/dbraw/zinc/77/67/54/384776754.db2.gz PWOUAMWQYHOLIB-ZDUSSCGKSA-N 1 0 202.301 1.579 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH3+])CC2 ZINC000083050266 384739019 /nfs/dbraw/zinc/73/90/19/384739019.db2.gz LJSMXQVRQBFKNF-GUBZILKMSA-N 1 0 226.320 1.876 50 0 BDAARO O=C(CC1CCCC1)NC1CC[NH2+]CC1 ZINC000022213368 384745098 /nfs/dbraw/zinc/74/50/98/384745098.db2.gz JKXRORLBJWHZDO-UHFFFAOYSA-N 1 0 210.321 1.435 50 0 BDAARO CC[NH+](CC)CCS[C@H]1CCCCNC1=O ZINC000083093325 384748282 /nfs/dbraw/zinc/74/82/82/384748282.db2.gz DGIRQTMADUGSDP-NSHDSACASA-N 1 0 244.404 1.730 50 0 BDAARO C[C@@H]([NH3+])c1ccccc1NS(C)(=O)=O ZINC000022222070 384748795 /nfs/dbraw/zinc/74/87/95/384748795.db2.gz SJZIIPAYWDGZCB-SSDOTTSWSA-N 1 0 214.290 1.078 50 0 BDAARO c1ccc2c(c1)NC[C@H]2C[NH+]1CCOCC1 ZINC000022688070 384770436 /nfs/dbraw/zinc/77/04/36/384770436.db2.gz RGEGQAFOGMYROT-NSHDSACASA-N 1 0 218.300 1.528 50 0 BDAARO [NH3+][C@H]1COc2cccc(Br)c2C1 ZINC000082351154 384826432 /nfs/dbraw/zinc/82/64/32/384826432.db2.gz CITAWZRLKKMLNK-ZCFIWIBFSA-N 1 0 228.089 1.711 50 0 BDAARO FC(F)(F)c1ccnc(NC2CC[NH2+]CC2)n1 ZINC000081586814 384826565 /nfs/dbraw/zinc/82/65/65/384826565.db2.gz UFUYVHGORNYQPN-UHFFFAOYSA-N 1 0 246.236 1.659 50 0 BDAARO Nc1ccc(Br)c2c1C[NH2+]CC2 ZINC000085224517 384927269 /nfs/dbraw/zinc/92/72/69/384927269.db2.gz ZCXVHSIERUIKMS-UHFFFAOYSA-N 1 0 227.105 1.677 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])[nH]n1 ZINC000070378888 384991605 /nfs/dbraw/zinc/99/16/05/384991605.db2.gz KEDKFWVWTBEAIX-KOLCDFICSA-N 1 0 236.319 1.060 50 0 BDAARO C[C@@H](C(N)=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000058315802 384997190 /nfs/dbraw/zinc/99/71/90/384997190.db2.gz FFBVMGCMWDEINQ-JTQLQIEISA-N 1 0 248.301 1.789 50 0 BDAARO CCCCNC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000086229831 384997397 /nfs/dbraw/zinc/99/73/97/384997397.db2.gz OPJYTHMLEBRDOX-SNVBAGLBSA-N 1 0 214.309 1.655 50 0 BDAARO CCC[C@](C)(CO)[NH2+]Cc1cnn(C)c1 ZINC000072289932 385008980 /nfs/dbraw/zinc/00/89/80/385008980.db2.gz XFFBRRIMNUPVKU-LLVKDONJSA-N 1 0 211.309 1.061 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccccc1Cl ZINC000000467425 385202823 /nfs/dbraw/zinc/20/28/23/385202823.db2.gz BYAQVQHPZHTOAG-UHFFFAOYSA-N 1 0 226.707 1.631 50 0 BDAARO [NH3+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000034217624 385277032 /nfs/dbraw/zinc/27/70/32/385277032.db2.gz YWVCBDDTRSTVDU-LBPRGKRZSA-N 1 0 222.357 1.563 50 0 BDAARO OC[C@@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000038111001 385470031 /nfs/dbraw/zinc/47/00/31/385470031.db2.gz PSEXJXUVCHIOGX-CQSZACIVSA-N 1 0 228.295 1.905 50 0 BDAARO Cc1ccc(F)cc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000062664894 385477962 /nfs/dbraw/zinc/47/79/62/385477962.db2.gz LDXXDLRMJULIJQ-NSHDSACASA-N 1 0 236.290 1.616 50 0 BDAARO C[NH+](C)CCNC(=O)c1cccc2cc[nH]c21 ZINC000003805439 385823345 /nfs/dbraw/zinc/82/33/45/385823345.db2.gz ZDKPNHSXUWEWQX-UHFFFAOYSA-N 1 0 231.299 1.459 50 0 BDAARO Cc1noc(C)c1CN1C[C@H]2CC[C@@H](C1)[N@H+](C)C2 ZINC000215990573 385856067 /nfs/dbraw/zinc/85/60/67/385856067.db2.gz HAEBUYBPNKZJDO-STQMWFEESA-N 1 0 249.358 1.817 50 0 BDAARO Cn1cncc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000216128757 385860188 /nfs/dbraw/zinc/86/01/88/385860188.db2.gz NLURYELDSMFVJG-JSGCOSHPSA-N 1 0 249.358 1.547 50 0 BDAARO COC(=O)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000260845589 385986725 /nfs/dbraw/zinc/98/67/25/385986725.db2.gz GXBLDGUEAXNNOB-UHFFFAOYSA-N 1 0 240.328 1.472 50 0 BDAARO CC/C=C/CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000189453711 386017482 /nfs/dbraw/zinc/01/74/82/386017482.db2.gz FYOCGYMPEGJKNM-BLDJZWNYSA-N 1 0 224.348 1.976 50 0 BDAARO COC[C@H](O)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221857625 386023368 /nfs/dbraw/zinc/02/33/68/386023368.db2.gz DYPQZHXMTADLTL-YVECIDJPSA-N 1 0 229.364 1.798 50 0 BDAARO [NH3+]Cc1cc(Cl)ccc1-n1cncn1 ZINC000038325432 386129426 /nfs/dbraw/zinc/12/94/26/386129426.db2.gz ZGNLUCLPHZVBHK-UHFFFAOYSA-N 1 0 208.652 1.379 50 0 BDAARO CC[N@H+](C)C[C@@H]1CCN(c2ccc(F)cn2)C1 ZINC000225821456 386219872 /nfs/dbraw/zinc/21/98/72/386219872.db2.gz SHXUUKGZFKKQOT-NSHDSACASA-N 1 0 237.322 1.999 50 0 BDAARO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000132255702 386230184 /nfs/dbraw/zinc/23/01/84/386230184.db2.gz BKWOYYLDBCMEQF-BXKDBHETSA-N 1 0 236.290 1.489 50 0 BDAARO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237181439 386361572 /nfs/dbraw/zinc/36/15/72/386361572.db2.gz OMYAMYVTGCCUEY-UTUOFQBUSA-N 1 0 240.347 1.141 50 0 BDAARO COC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000034361004 386434286 /nfs/dbraw/zinc/43/42/86/386434286.db2.gz MVOKZEPYCPVZGX-NSHDSACASA-N 1 0 219.284 1.852 50 0 BDAARO c1ccc(Cc2nnc3n2CC[NH2+]CC3)cc1 ZINC000299767361 386490476 /nfs/dbraw/zinc/49/04/76/386490476.db2.gz KFTASHNEWORFNQ-UHFFFAOYSA-N 1 0 228.299 1.015 50 0 BDAARO C[N@H+](Cc1ccnc(Cl)c1)C1(CO)CC1 ZINC000239527665 386542677 /nfs/dbraw/zinc/54/26/77/386542677.db2.gz ATSJORDWCHVNON-UHFFFAOYSA-N 1 0 226.707 1.692 50 0 BDAARO Cc1noc(C)c1C[NH2+][C@H](C)Cn1cccn1 ZINC000035276514 386699436 /nfs/dbraw/zinc/69/94/36/386699436.db2.gz VGDQQXATPQIPQE-SECBINFHSA-N 1 0 234.303 1.666 50 0 BDAARO C[NH+](C)C1(CNC(=O)c2cccnc2)CCCC1 ZINC000046707952 386708006 /nfs/dbraw/zinc/70/80/06/386708006.db2.gz FMIGUGUDFPZFHZ-UHFFFAOYSA-N 1 0 247.342 1.686 50 0 BDAARO CCCC[N@H+](CCO)CC(=O)NC1CCCC1 ZINC000049800213 387056768 /nfs/dbraw/zinc/05/67/68/387056768.db2.gz KDGGBRAAXFWCBH-UHFFFAOYSA-N 1 0 242.363 1.140 50 0 BDAARO C[C@@]1(F)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000336268689 387102154 /nfs/dbraw/zinc/10/21/54/387102154.db2.gz DOOPFCMCCSDGFP-GFCCVEGCSA-N 1 0 228.311 1.433 50 0 BDAARO CCc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000089284860 387125943 /nfs/dbraw/zinc/12/59/43/387125943.db2.gz YDFAQGYGIOEMKV-CQSZACIVSA-N 1 0 246.354 1.946 50 0 BDAARO c1cnn([C@@H]2CCC[N@@H+]([C@H]3CCOC3)C2)c1 ZINC000336553960 387376415 /nfs/dbraw/zinc/37/64/15/387376415.db2.gz ONIKGHANEVHOAU-NEPJUHHUSA-N 1 0 221.304 1.309 50 0 BDAARO [NH3+][C@H]1CC[C@H]1C(=O)OCc1ccccc1 ZINC000306145790 387337234 /nfs/dbraw/zinc/33/72/34/387337234.db2.gz QHIVOJQAHUXBOZ-MNOVXSKESA-N 1 0 205.257 1.467 50 0 BDAARO CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000074920890 387435916 /nfs/dbraw/zinc/43/59/16/387435916.db2.gz FXBBJHFNEUBACG-SNVBAGLBSA-N 1 0 212.337 1.633 50 0 BDAARO C[C@H](Cc1ccccc1F)[NH2+]C1(C(N)=O)CC1 ZINC000191482113 387456975 /nfs/dbraw/zinc/45/69/75/387456975.db2.gz INBYMTLWWDKFPF-SECBINFHSA-N 1 0 236.290 1.364 50 0 BDAARO C[C@]1(c2nc3c(cccc3C(N)=O)[nH]2)CCC[NH2+]1 ZINC000084610155 387458566 /nfs/dbraw/zinc/45/85/66/387458566.db2.gz JNAHVYVRKWKWKQ-CYBMUJFWSA-N 1 0 244.298 1.260 50 0 investigational BDAARO C[NH+](C)CCC(=O)c1cc2ccccc2oc1=O ZINC000001687259 387396282 /nfs/dbraw/zinc/39/62/82/387396282.db2.gz NOOUTCYHVCJDHR-UHFFFAOYSA-N 1 0 245.278 1.927 50 0 BDAARO CC/C=C(/C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044541483 387420619 /nfs/dbraw/zinc/42/06/19/387420619.db2.gz VNLCUFUENCTAFX-SDKXAQGSSA-N 1 0 210.321 1.683 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1ccc(O)cc1F ZINC000097236968 387467610 /nfs/dbraw/zinc/46/76/10/387467610.db2.gz PDKWEZWSTUYWNX-UHFFFAOYSA-N 1 0 240.278 1.812 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000032787953 387475323 /nfs/dbraw/zinc/47/53/23/387475323.db2.gz YLBBUPRUEKPQMR-DGCLKSJQSA-N 1 0 236.359 1.729 50 0 BDAARO CCC[C@@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000006757515 387883091 /nfs/dbraw/zinc/88/30/91/387883091.db2.gz MRFBWCJMRGMVNO-RQJHMYQMSA-N 1 0 216.306 1.345 50 0 BDAARO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000521394289 387915734 /nfs/dbraw/zinc/91/57/34/387915734.db2.gz ZQMMMENRIXSWFQ-WPRPVWTQSA-N 1 0 207.321 1.877 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000065519740 388082237 /nfs/dbraw/zinc/08/22/37/388082237.db2.gz LZDMVNYOQVVNNR-SNVBAGLBSA-N 1 0 233.319 1.341 50 0 BDAARO CCOCc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000037000133 388084947 /nfs/dbraw/zinc/08/49/47/388084947.db2.gz JYRUXRZTMXDQJW-CYBMUJFWSA-N 1 0 248.326 1.914 50 0 BDAARO C[C@@H](CNC(=O)c1ccc2cc[nH]c2c1)[NH+](C)C ZINC000065587257 388097645 /nfs/dbraw/zinc/09/76/45/388097645.db2.gz UICXOHDIKBNRCQ-JTQLQIEISA-N 1 0 245.326 1.848 50 0 BDAARO CCCCOCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000170598365 388240100 /nfs/dbraw/zinc/24/01/00/388240100.db2.gz WSUZZXMKJHJSRA-UHFFFAOYSA-N 1 0 242.363 1.356 50 0 BDAARO Cc1nnc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C ZINC000170598860 388240144 /nfs/dbraw/zinc/24/01/44/388240144.db2.gz MRVWDRIXFRDKIS-GFCCVEGCSA-N 1 0 247.346 1.163 50 0 BDAARO C[C@@H](CO)[NH2+]CCN1CCc2ccccc21 ZINC000065397424 388276153 /nfs/dbraw/zinc/27/61/53/388276153.db2.gz ZKCSWUCSLTZIPF-NSHDSACASA-N 1 0 220.316 1.020 50 0 BDAARO C[NH+](C)CC(C)(C)CNC(=S)NC1CC1 ZINC000057738200 388367718 /nfs/dbraw/zinc/36/77/18/388367718.db2.gz CUEFPHDKXJVBPW-UHFFFAOYSA-N 1 0 229.393 1.201 50 0 BDAARO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000164086775 388373251 /nfs/dbraw/zinc/37/32/51/388373251.db2.gz CHOBMJKZEWDTKB-CHWSQXEVSA-N 1 0 220.316 1.783 50 0 BDAARO COC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000090182127 388395823 /nfs/dbraw/zinc/39/58/23/388395823.db2.gz SJNIRGLWSDIWDS-CMPLNLGQSA-N 1 0 240.347 1.010 50 0 BDAARO CS[C@@H]1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC000195531510 388478556 /nfs/dbraw/zinc/47/85/56/388478556.db2.gz VVYCXIICIBWBDS-GHMZBOCLSA-N 1 0 233.377 1.211 50 0 BDAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CCOCCO ZINC000195531582 388478759 /nfs/dbraw/zinc/47/87/59/388478759.db2.gz LXPBTSFLLDYSGY-GHMZBOCLSA-N 1 0 233.377 1.211 50 0 BDAARO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@@H](C)n1cccn1 ZINC000069372506 388415923 /nfs/dbraw/zinc/41/59/23/388415923.db2.gz PAJSRQVSEIWALS-NXEZZACHSA-N 1 0 219.292 1.346 50 0 BDAARO CC[C@@H](CNC(=O)c1ccccn1)[NH+]1CCCC1 ZINC000040522402 388420240 /nfs/dbraw/zinc/42/02/40/388420240.db2.gz MDKDIFPOPSWVGA-LBPRGKRZSA-N 1 0 247.342 1.686 50 0 BDAARO c1cnnc(N2CCC[C@H]2C[NH2+]C2CCCC2)c1 ZINC000069843221 388427686 /nfs/dbraw/zinc/42/76/86/388427686.db2.gz QTDBGSLSUGHMRN-ZDUSSCGKSA-N 1 0 246.358 1.978 50 0 BDAARO C[NH+](C)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000002295537 388593349 /nfs/dbraw/zinc/59/33/49/388593349.db2.gz AHAMEVHMSNMAHB-CYBMUJFWSA-N 1 0 222.332 1.261 50 0 BDAARO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)o1 ZINC000237617191 388595827 /nfs/dbraw/zinc/59/58/27/388595827.db2.gz YFKPPSJVVDEMGF-GXSJLCMTSA-N 1 0 236.315 1.848 50 0 BDAARO Cc1nccc(C[C@@H]2CCC[C@H]3C[NH2+]C[C@@H]32)n1 ZINC000077010521 388671484 /nfs/dbraw/zinc/67/14/84/388671484.db2.gz BIVAKOCSMKQQMP-SGMGOOAPSA-N 1 0 231.343 1.963 50 0 BDAARO COC(=O)c1ccc2c(c1)C[NH2+]CC2(C)C ZINC000091351961 388626212 /nfs/dbraw/zinc/62/62/12/388626212.db2.gz FSAJTDDFQDJQIP-UHFFFAOYSA-N 1 0 219.284 1.854 50 0 BDAARO CCC[C@](C)(CO)[NH2+]Cc1cccn1C ZINC000078989852 388741160 /nfs/dbraw/zinc/74/11/60/388741160.db2.gz HXAGQHXFCHSFPE-GFCCVEGCSA-N 1 0 210.321 1.666 50 0 BDAARO COC(=O)c1ccc2[nH]c([C@H]3CC[NH2+]C3)nc2c1 ZINC000070633534 388731463 /nfs/dbraw/zinc/73/14/63/388731463.db2.gz FBNLOINYSAGAMH-VIFPVBQESA-N 1 0 245.282 1.426 50 0 biogenic,in-vitro BDAARO C[NH+](C)C[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC000095959278 388793929 /nfs/dbraw/zinc/79/39/29/388793929.db2.gz TWPDEFQXLNJHNI-ZDUSSCGKSA-N 1 0 238.375 1.977 50 0 BDAARO CN(C)C[C@@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000095973155 388798012 /nfs/dbraw/zinc/79/80/12/388798012.db2.gz IAMGDXXNAFVQHI-STQMWFEESA-N 1 0 242.407 1.715 50 0 BDAARO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCOC[C@@H]1C ZINC000095422356 388769529 /nfs/dbraw/zinc/76/95/29/388769529.db2.gz IZPSAUIUEZPCID-FRRDWIJNSA-N 1 0 244.379 1.110 50 0 BDAARO CC[C@H](COC)[NH2+]C[C@H](C)N1CCOC[C@@H]1C ZINC000095422358 388769603 /nfs/dbraw/zinc/76/96/03/388769603.db2.gz IZPSAUIUEZPCID-RWMBFGLXSA-N 1 0 244.379 1.110 50 0 BDAARO CN1CCC([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)CC1 ZINC000095423798 388770185 /nfs/dbraw/zinc/77/01/85/388770185.db2.gz YMUYHSLEGBPDRN-MGPQQGTHSA-N 1 0 238.375 1.628 50 0 BDAARO C[C@H]1OCC[C@H]1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000097107796 388833649 /nfs/dbraw/zinc/83/36/49/388833649.db2.gz RIHHDMHLIHMXEK-MWLCHTKSSA-N 1 0 249.314 1.511 50 0 BDAARO CN(C)c1nccc(C[N@H+](C)C2CCCC2)n1 ZINC000097237259 388835939 /nfs/dbraw/zinc/83/59/39/388835939.db2.gz NHHWTXLJMQLNHA-UHFFFAOYSA-N 1 0 234.347 1.917 50 0 BDAARO CC[C@H](O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000225644339 388839273 /nfs/dbraw/zinc/83/92/73/388839273.db2.gz KIPLJLFQLBGSEH-LBPRGKRZSA-N 1 0 243.347 1.029 50 0 BDAARO C[C@@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000022220879 132332564 /nfs/dbraw/zinc/33/25/64/132332564.db2.gz OCELIUHQIMCMKY-SNVBAGLBSA-N 1 0 205.305 1.777 50 0 BDAARO CC[C@H]1C[N@H+](CC)CCN1c1nccc(C)n1 ZINC000328600764 132243597 /nfs/dbraw/zinc/24/35/97/132243597.db2.gz ZPLSWFWJQUQAJF-LBPRGKRZSA-N 1 0 234.347 1.706 50 0 BDAARO NC(=[NH2+])N1CCN(c2cccc(Cl)c2)CC1 ZINC000003631878 132315692 /nfs/dbraw/zinc/31/56/92/132315692.db2.gz YPUBLDRXHVIFIU-UHFFFAOYSA-N 1 0 238.722 1.355 50 0 BDAARO C[C@H]1CN(c2ccc(C[NH3+])cn2)C[C@H](C)O1 ZINC000022144022 132332460 /nfs/dbraw/zinc/33/24/60/132332460.db2.gz DKOOGSOFRGBDJP-UWVGGRQHSA-N 1 0 221.304 1.154 50 0 BDAARO C[NH+]1CCN(c2ccc3nc(N)sc3c2)CC1 ZINC000031893791 132334674 /nfs/dbraw/zinc/33/46/74/132334674.db2.gz CNGGWHKXVXVWMS-UHFFFAOYSA-N 1 0 248.355 1.630 50 0 BDAARO C[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000032090291 132335103 /nfs/dbraw/zinc/33/51/03/132335103.db2.gz UIDUTTRCQOJTAK-LLVKDONJSA-N 1 0 238.306 1.329 50 0 BDAARO COc1cccc(F)c1N1CC[NH2+]CC1 ZINC000034626777 132336754 /nfs/dbraw/zinc/33/67/54/132336754.db2.gz FNYYIKRCDSATNB-UHFFFAOYSA-N 1 0 210.252 1.244 50 0 BDAARO [NH3+]CCCC(=O)N1CCOc2ccccc21 ZINC000040835422 132348468 /nfs/dbraw/zinc/34/84/68/132348468.db2.gz PASXPQLYZDCUCS-UHFFFAOYSA-N 1 0 220.272 1.151 50 0 BDAARO C[C@@H]1C[N@H+](C)CCN1Cc1ccncc1F ZINC000336215666 134136618 /nfs/dbraw/zinc/13/66/18/134136618.db2.gz PEXOKDVWTWVAAG-SNVBAGLBSA-N 1 0 223.295 1.357 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CC(C)(C)C ZINC000085727132 134515834 /nfs/dbraw/zinc/51/58/34/134515834.db2.gz LIDYBIPQIIGPIG-VHSXEESVSA-N 1 0 212.337 1.679 50 0 BDAARO OC[C@@]1(F)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000334480326 135439485 /nfs/dbraw/zinc/43/94/85/135439485.db2.gz UXZLRAVUCAXMMF-VXGBXAGGSA-N 1 0 213.296 1.892 50 0 BDAARO Cc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)n(C)n1 ZINC000334931243 135844693 /nfs/dbraw/zinc/84/46/93/135844693.db2.gz QHCTVMHJMZXSED-ZJUUUORDSA-N 1 0 211.284 1.709 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000216614188 397941754 /nfs/dbraw/zinc/94/17/54/397941754.db2.gz HYDQSJYUQCVBSG-IUEHSCGASA-N 1 0 224.348 1.929 50 0 BDAARO Cc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000042351724 398013936 /nfs/dbraw/zinc/01/39/36/398013936.db2.gz AUPMADLTIYQPEU-UHFFFAOYSA-N 1 0 215.300 1.981 50 0 BDAARO C[NH2+][C@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000022465913 397973893 /nfs/dbraw/zinc/97/38/93/397973893.db2.gz HEJUZZDQTLAMIH-QWHCGFSZSA-N 1 0 220.316 1.014 50 0 BDAARO C[NH+](C)CCC(=O)c1ccc2c(c1)OCO2 ZINC000000244015 398082791 /nfs/dbraw/zinc/08/27/91/398082791.db2.gz PWBLOELLKGNDKI-UHFFFAOYSA-N 1 0 221.256 1.550 50 0 BDAARO CC(C)OCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106669749 167230418 /nfs/dbraw/zinc/23/04/18/167230418.db2.gz JEUAUMTTZSWWEY-RYUDHWBXSA-N 1 0 215.337 1.647 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000000002281 166633552 /nfs/dbraw/zinc/63/35/52/166633552.db2.gz XWTYSIMOBUGWOL-LLVKDONJSA-N 1 0 225.288 1.519 50 0 biogenic,fda BDAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC000084305737 166656814 /nfs/dbraw/zinc/65/68/14/166656814.db2.gz YHFQRFDPXSAJPK-SSDOTTSWSA-N 1 0 236.262 1.590 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000238853997 166665558 /nfs/dbraw/zinc/66/55/58/166665558.db2.gz MAKONFGDMPDBED-GMTAPVOTSA-N 1 0 240.347 1.899 50 0 BDAARO CC(C)CC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000309627187 166865772 /nfs/dbraw/zinc/86/57/72/166865772.db2.gz QJXCBRZVIHKYSP-NSHDSACASA-N 1 0 224.348 1.823 50 0 BDAARO CC(C)CC[C@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004426863 166915186 /nfs/dbraw/zinc/91/51/86/166915186.db2.gz LJKDBAOIOYJBPR-DTWKUNHWSA-N 1 0 244.360 1.981 50 0 BDAARO CC(C)N1CC[C@H]([N@H+]2C[C@@H]3CC=CC[C@@H]3C2)C1=O ZINC000098016290 167025579 /nfs/dbraw/zinc/02/55/79/167025579.db2.gz IOIARESROGWGMG-MJBXVCDLSA-N 1 0 248.370 1.894 50 0 BDAARO CC(C)Oc1cccc(CC[NH2+][C@H](C)CO)c1 ZINC000065370850 167304181 /nfs/dbraw/zinc/30/41/81/167304181.db2.gz SYCPLADPOYLGCG-GFCCVEGCSA-N 1 0 237.343 1.987 50 0 BDAARO CC[NH+](CC)C[C@H](O)COc1ccccc1 ZINC000004721006 169788858 /nfs/dbraw/zinc/78/88/58/169788858.db2.gz LEHOQQJTXORYMY-LBPRGKRZSA-N 1 0 223.316 1.768 50 0 BDAARO C[C@@H]1[C@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000108333188 411144294 /nfs/dbraw/zinc/14/42/94/411144294.db2.gz GCUJBNIVAOTURQ-WCFLWFBJSA-N 1 0 205.301 1.761 50 0 BDAARO CC1(CC[NH2+]Cc2cncs2)OCCO1 ZINC000097115696 168020071 /nfs/dbraw/zinc/02/00/71/168020071.db2.gz LXSALLWFZFLVNV-UHFFFAOYSA-N 1 0 228.317 1.386 50 0 BDAARO CCC(C)(C)OC[C@@H](O)C[NH2+]CC(C)C ZINC000012420012 168304567 /nfs/dbraw/zinc/30/45/67/168304567.db2.gz OSYYEDZJBVTDJY-NSHDSACASA-N 1 0 217.353 1.798 50 0 BDAARO CCN1CCO[C@@H](C[NH2+]Cc2cccnc2C)C1 ZINC000069658759 170005603 /nfs/dbraw/zinc/00/56/03/170005603.db2.gz JWZDATXGZRCYDU-AWEZNQCLSA-N 1 0 249.358 1.200 50 0 BDAARO CC[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000336256412 170031565 /nfs/dbraw/zinc/03/15/65/170031565.db2.gz AGUMVWMAWYHFHF-QWHCGFSZSA-N 1 0 223.291 1.806 50 0 BDAARO CCNC(=[NH2+])NCc1ccccc1CC ZINC000082774908 170041462 /nfs/dbraw/zinc/04/14/62/170041462.db2.gz RLNBAHDLTFETMX-UHFFFAOYSA-N 1 0 205.305 1.883 50 0 BDAARO CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000084791009 170071868 /nfs/dbraw/zinc/07/18/68/170071868.db2.gz VEZMAIZBAWLWCC-QWRGUYRKSA-N 1 0 227.352 1.378 50 0 BDAARO CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000049371157 170080412 /nfs/dbraw/zinc/08/04/12/170080412.db2.gz SWLHFQPGMXUBBI-CYBMUJFWSA-N 1 0 249.358 1.917 50 0 BDAARO CC[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000002534279 170131669 /nfs/dbraw/zinc/13/16/69/170131669.db2.gz QEXMLWKABYTTAJ-UHFFFAOYSA-N 1 0 203.245 1.846 50 0 BDAARO CCOC(=O)CCCC[N@@H+]1CCC[C@H](OC)C1 ZINC000095399802 170200000 /nfs/dbraw/zinc/20/00/00/170200000.db2.gz XSPGIACTGQXVSE-LBPRGKRZSA-N 1 0 243.347 1.831 50 0 BDAARO CCOC(=O)CC[N@@H+]1CCSCC[C@@H]1C ZINC000241338621 170205393 /nfs/dbraw/zinc/20/53/93/170205393.db2.gz MCNZPTQFDDLVIM-JTQLQIEISA-N 1 0 231.361 1.767 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(O)c1 ZINC000000053414 170230755 /nfs/dbraw/zinc/23/07/55/170230755.db2.gz PDADOBFUFCHAHV-SNVBAGLBSA-N 1 0 209.245 1.345 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000000330778 170230957 /nfs/dbraw/zinc/23/09/57/170230957.db2.gz CUMDNQXYGSSDHW-SECBINFHSA-N 1 0 237.255 1.368 50 0 BDAARO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000020580199 170251989 /nfs/dbraw/zinc/25/19/89/170251989.db2.gz PGUZJRQJDGYKNN-SECBINFHSA-N 1 0 243.253 1.645 50 0 BDAARO CCOC(=O)[C@H](C)C[NH2+]Cc1ccccc1 ZINC000034088199 170264769 /nfs/dbraw/zinc/26/47/69/170264769.db2.gz CRLWGPSWMIFWRM-LLVKDONJSA-N 1 0 221.300 1.975 50 0 BDAARO CCOC(=O)c1coc(C2CC[NH2+]CC2)n1 ZINC000002577847 170304670 /nfs/dbraw/zinc/30/46/70/170304670.db2.gz XIHXVYGYBIEGFM-UHFFFAOYSA-N 1 0 224.260 1.318 50 0 BDAARO CCOC(=O)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000006403828 170305809 /nfs/dbraw/zinc/30/58/09/170305809.db2.gz UKHLURZCGAUBCQ-ZETCQYMHSA-N 1 0 226.301 1.744 50 0 BDAARO CCOC(C[NH2+]CC(OCC)OCC)OCC ZINC000001651848 170315825 /nfs/dbraw/zinc/31/58/25/170315825.db2.gz UAQHXLYLALUITG-UHFFFAOYSA-N 1 0 249.351 1.374 50 0 BDAARO CC[C@@H]1C[N@@H+](C(C)C)CCN1CCOC ZINC000069840474 171074461 /nfs/dbraw/zinc/07/44/61/171074461.db2.gz VFFOHZZPGKMXQY-GFCCVEGCSA-N 1 0 214.353 1.437 50 0 BDAARO CC[C@@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082370864 171162343 /nfs/dbraw/zinc/16/23/43/171162343.db2.gz PMPYKOTYYOFJRY-RKDXNWHRSA-N 1 0 214.309 1.733 50 0 BDAARO CC[C@@](C)(CCO)[NH2+]Cc1nccn1C ZINC000166037039 171166933 /nfs/dbraw/zinc/16/69/33/171166933.db2.gz ZCEREFXDOPLKLR-NSHDSACASA-N 1 0 211.309 1.061 50 0 BDAARO CC[C@@](C)([NH3+])c1nc2c(c(=O)[nH]1)CCCCC2 ZINC000071372434 171171979 /nfs/dbraw/zinc/17/19/79/171171979.db2.gz BLGONPLFKWQUFD-CYBMUJFWSA-N 1 0 235.331 1.623 50 0 BDAARO CC[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000055293287 171251271 /nfs/dbraw/zinc/25/12/71/171251271.db2.gz PSYHOONWPQRBJB-NSHDSACASA-N 1 0 212.337 1.635 50 0 BDAARO CC[C@H](C)N(C(=O)CC[NH3+])C1CCCC1 ZINC000065409495 171301466 /nfs/dbraw/zinc/30/14/66/171301466.db2.gz ZUENPHWKXCZSEH-JTQLQIEISA-N 1 0 212.337 1.905 50 0 BDAARO CC[C@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019499950 171319001 /nfs/dbraw/zinc/31/90/01/171319001.db2.gz ZVXYMPPYQQYSID-ZDUSSCGKSA-N 1 0 233.359 1.998 50 0 BDAARO CCc1nc2n(n1)C[C@@H]([NH2+]Cc1ccco1)CC2 ZINC000069652186 172014991 /nfs/dbraw/zinc/01/49/91/172014991.db2.gz SVKUJTOHRBNYBK-JTQLQIEISA-N 1 0 246.314 1.538 50 0 BDAARO CCn1cc(C[NH2+]C[C@@H](O)c2ccco2)cn1 ZINC000096446407 172170772 /nfs/dbraw/zinc/17/07/72/172170772.db2.gz FUVKZQLNVQMNOU-LLVKDONJSA-N 1 0 235.287 1.319 50 0 BDAARO CCn1cc(OCC[NH+]2CCCCC2)cn1 ZINC000170598616 172190951 /nfs/dbraw/zinc/19/09/51/172190951.db2.gz UTSJBIXGWRQFBK-UHFFFAOYSA-N 1 0 223.320 1.768 50 0 BDAARO CN(C(=O)OC(C)(C)C)C1CC([NH3+])C1 ZINC000095743009 172324383 /nfs/dbraw/zinc/32/43/83/172324383.db2.gz OMNOXYPUAHSJRZ-UHFFFAOYSA-N 1 0 200.282 1.343 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000020357607 172325051 /nfs/dbraw/zinc/32/50/51/172325051.db2.gz RTXNDTNDOHQMTI-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C[C@H]1F ZINC000141513551 172325698 /nfs/dbraw/zinc/32/56/98/172325698.db2.gz VGCKWWMMIKCCKU-BDAKNGLRSA-N 1 0 232.299 1.553 50 0 BDAARO CN(C(=O)c1ccc(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000037539665 172340656 /nfs/dbraw/zinc/34/06/56/172340656.db2.gz GUVOUWSDBNUCFK-SECBINFHSA-N 1 0 240.253 1.399 50 0 BDAARO CN(C)C(=O)C(C)(C)[NH2+]C[C@H]1CC=CCC1 ZINC000095433990 172353386 /nfs/dbraw/zinc/35/33/86/172353386.db2.gz MPCJJSIILVUAIR-NSHDSACASA-N 1 0 224.348 1.799 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000032841456 173014511 /nfs/dbraw/zinc/01/45/11/173014511.db2.gz MEELMCWYADFWGJ-UHFFFAOYSA-N 1 0 208.261 1.057 50 0 BDAARO C[N@@H+]1CCCN(Cc2ccsc2)CC1 ZINC000019536179 173015735 /nfs/dbraw/zinc/01/57/35/173015735.db2.gz XPAPACNVPLPNJR-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)Nc1cccnc1 ZINC000299776799 173029504 /nfs/dbraw/zinc/02/95/04/173029504.db2.gz DDDJYXBGVWJDKY-GFCCVEGCSA-N 1 0 248.330 1.687 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000069536169 173034844 /nfs/dbraw/zinc/03/48/44/173034844.db2.gz ICQWVDOCPJTOEV-NEPJUHHUSA-N 1 0 248.330 1.109 50 0 BDAARO C[N@@H+]1CCC[C@H](c2nccnc2Cl)C1 ZINC000072343822 173048176 /nfs/dbraw/zinc/04/81/76/173048176.db2.gz NOSOUFQZPBHRCO-QMMMGPOBSA-N 1 0 211.696 1.939 50 0 BDAARO C[N@@H+]1CCC[C@H]1CCN[C@@H](CO)c1ccccc1 ZINC000195557827 173052928 /nfs/dbraw/zinc/05/29/28/173052928.db2.gz MDJUYKSLBVRKJC-GJZGRUSLSA-N 1 0 248.370 1.794 50 0 BDAARO C[N@@H+]1CCC[C@H]1CCN[C@H](CO)c1ccccc1 ZINC000183772788 173054576 /nfs/dbraw/zinc/05/45/76/173054576.db2.gz MDJUYKSLBVRKJC-LSDHHAIUSA-N 1 0 248.370 1.794 50 0 BDAARO C[N@@H+]1CC[C@H](C(=O)c2cccc(N)c2)C1 ZINC000096034768 173143217 /nfs/dbraw/zinc/14/32/17/173143217.db2.gz SMBCTTQLLUDUAT-JTQLQIEISA-N 1 0 204.273 1.403 50 0 BDAARO C[N@@H+]1CCc2nc(Cl)nc(Cl)c2C1 ZINC000238341154 173173464 /nfs/dbraw/zinc/17/34/64/173173464.db2.gz UUNXJLUESRFPLL-UHFFFAOYSA-N 1 0 218.087 1.771 50 0 BDAARO CNC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000037207605 173277821 /nfs/dbraw/zinc/27/78/21/173277821.db2.gz QUECJRRCNHGTRR-MRVPVSSYSA-N 1 0 226.707 1.737 50 0 BDAARO CNC(=O)CSCC[C@H]1CCCC[N@@H+]1C ZINC000225446107 173279671 /nfs/dbraw/zinc/27/96/71/173279671.db2.gz ZNPQFDXPINJAJN-SNVBAGLBSA-N 1 0 230.377 1.340 50 0 BDAARO CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000073040843 173290037 /nfs/dbraw/zinc/29/00/37/173290037.db2.gz OGOCYUVPVHWGMK-UHFFFAOYSA-N 1 0 213.325 1.180 50 0 BDAARO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000215937513 173299820 /nfs/dbraw/zinc/29/98/20/173299820.db2.gz ZPXVXQWGNRWMFH-MRVPVSSYSA-N 1 0 242.706 1.501 50 0 BDAARO CNC(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000020281294 173310388 /nfs/dbraw/zinc/31/03/88/173310388.db2.gz LMRIAXRUUJHEOL-UHFFFAOYSA-N 1 0 204.273 1.298 50 0 BDAARO C[NH2+]C(C)(C)c1nnnn1-c1ccccc1 ZINC000020198742 173321371 /nfs/dbraw/zinc/32/13/71/173321371.db2.gz IDEMZGFWYWKKNB-UHFFFAOYSA-N 1 0 217.276 1.117 50 0 BDAARO C[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000037495172 173325102 /nfs/dbraw/zinc/32/51/02/173325102.db2.gz LRTACGDUXQZVAS-JTQLQIEISA-N 1 0 206.289 1.425 50 0 BDAARO C[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000026340368 173338607 /nfs/dbraw/zinc/33/86/07/173338607.db2.gz OHCOJCIAAGLEHJ-UHFFFAOYSA-N 1 0 205.301 1.954 50 0 BDAARO C[NH2+]CC1CCN(C(=O)c2occc2C)CC1 ZINC000063159634 173338699 /nfs/dbraw/zinc/33/86/99/173338699.db2.gz AOOCYRLZDJAHEO-UHFFFAOYSA-N 1 0 236.315 1.660 50 0 BDAARO C[NH2+]CCN(C)Cc1c(F)c(F)ccc1OC ZINC000097756558 173353232 /nfs/dbraw/zinc/35/32/32/173353232.db2.gz USPNOXNJVJCRJW-UHFFFAOYSA-N 1 0 244.285 1.625 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cccc(C)c1 ZINC000122570046 173369218 /nfs/dbraw/zinc/36/92/18/173369218.db2.gz NXHXFRRYBDYYHP-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000231341569 173371953 /nfs/dbraw/zinc/37/19/53/173371953.db2.gz YMXLVISHWRLDKX-ZETCQYMHSA-N 1 0 233.237 1.684 50 0 BDAARO C[NH2+]C[C@H](C)C(=O)NCCc1cccc(C)c1 ZINC000082249515 173373988 /nfs/dbraw/zinc/37/39/88/173373988.db2.gz ZLMODDIBBBWJJQ-LBPRGKRZSA-N 1 0 234.343 1.509 50 0 BDAARO C[NH2+]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000231341575 173382763 /nfs/dbraw/zinc/38/27/63/173382763.db2.gz YMXLVISHWRLDKX-SSDOTTSWSA-N 1 0 233.237 1.684 50 0 BDAARO C[NH2+]Cc1ccc(OC2CCOCC2)nc1 ZINC000012370589 173389226 /nfs/dbraw/zinc/38/92/26/173389226.db2.gz CWRQCHDTRDIGCU-UHFFFAOYSA-N 1 0 222.288 1.359 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C)n2C)C1 ZINC000053202564 173432412 /nfs/dbraw/zinc/43/24/12/173432412.db2.gz HOLHVUBUUMRCLE-LLVKDONJSA-N 1 0 235.331 1.158 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)c2cc(C)ccc2F)C1 ZINC000096482489 173435496 /nfs/dbraw/zinc/43/54/96/173435496.db2.gz BMVYHZMGLCYGGO-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO COC1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000053907201 174031033 /nfs/dbraw/zinc/03/10/33/174031033.db2.gz AZCPDSGHDNKUGZ-LLVKDONJSA-N 1 0 240.347 1.108 50 0 BDAARO COCCCN(C)C(=O)CCCC[NH+](C)C ZINC000065553176 174211421 /nfs/dbraw/zinc/21/14/21/174211421.db2.gz IEDNCNQAUFHJEI-UHFFFAOYSA-N 1 0 230.352 1.213 50 0 BDAARO COCCC[N@H+](C)Cc1c(C)noc1C ZINC000051705828 174218009 /nfs/dbraw/zinc/21/80/09/174218009.db2.gz UNVREEGCWUYTDY-UHFFFAOYSA-N 1 0 212.293 1.760 50 0 BDAARO COCCCOc1cc(C)ccc1C[NH3+] ZINC000051581234 174256750 /nfs/dbraw/zinc/25/67/50/174256750.db2.gz KQYSJHFLFARYLW-UHFFFAOYSA-N 1 0 209.289 1.869 50 0 BDAARO COCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH3+] ZINC000037798201 174298552 /nfs/dbraw/zinc/29/85/52/174298552.db2.gz DKAJVLWWZPIYNX-LLVKDONJSA-N 1 0 236.315 1.009 50 0 BDAARO COCCN1CC[N@H+](CC(C)C)C[C@@H]1C ZINC000069840634 174308000 /nfs/dbraw/zinc/30/80/00/174308000.db2.gz WPRVQOMCWJCWSA-LBPRGKRZSA-N 1 0 214.353 1.295 50 0 BDAARO COCCNC(=O)C[NH+]1CCCCCCC1 ZINC000048617124 174320767 /nfs/dbraw/zinc/32/07/67/174320767.db2.gz UECNRAYKDLLIBI-UHFFFAOYSA-N 1 0 228.336 1.015 50 0 BDAARO COCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000058161818 174334682 /nfs/dbraw/zinc/33/46/82/174334682.db2.gz OJAUBBPVWCZWIE-UHFFFAOYSA-N 1 0 217.700 1.118 50 0 BDAARO COCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000019881139 174335395 /nfs/dbraw/zinc/33/53/95/174335395.db2.gz WLIBNIDFLGCJEA-UHFFFAOYSA-N 1 0 201.216 1.701 50 0 BDAARO COCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000008698514 174339889 /nfs/dbraw/zinc/33/98/89/174339889.db2.gz ZBOLNVWIGGSZDE-JTQLQIEISA-N 1 0 244.335 1.232 50 0 BDAARO COCCO[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194739942 174366129 /nfs/dbraw/zinc/36/61/29/174366129.db2.gz DLEOGHKETMJCHM-GFCCVEGCSA-N 1 0 213.321 1.666 50 0 BDAARO CO[C@@]1(C)C[C@H]([NH2+]C2CCOCC2)C1(C)C ZINC000072926265 174795178 /nfs/dbraw/zinc/79/51/78/174795178.db2.gz AQYPVTGCWRYHKJ-AAEUAGOBSA-N 1 0 227.348 1.959 50 0 BDAARO COc1ccc(-c2cc(C[NH3+])on2)cc1 ZINC000000169748 175031491 /nfs/dbraw/zinc/03/14/91/175031491.db2.gz PUSNHMVHJYSGME-UHFFFAOYSA-N 1 0 204.229 1.809 50 0 BDAARO COc1ccc(-n2cc([C@@H](C)[NH3+])cn2)cc1 ZINC000013331535 175044216 /nfs/dbraw/zinc/04/42/16/175044216.db2.gz IBFYMNWMDGFULN-SECBINFHSA-N 1 0 217.272 1.901 50 0 BDAARO COc1ccc(-n2ccc(C[NH3+])n2)cc1 ZINC000036379528 175044343 /nfs/dbraw/zinc/04/43/43/175044343.db2.gz YALYWHRMDNVVIO-UHFFFAOYSA-N 1 0 203.245 1.340 50 0 BDAARO COc1ccc(C(=O)CC[NH+](C)C)cc1 ZINC000000241090 175054157 /nfs/dbraw/zinc/05/41/57/175054157.db2.gz OFNZCNMFQSONGW-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 biogenic BDAARO COc1ccc(C(=O)N[C@H]2CC[NH2+]C2)c(C)c1 ZINC000127256270 175063671 /nfs/dbraw/zinc/06/36/71/175063671.db2.gz QLBRELIKDGOJLP-JTQLQIEISA-N 1 0 234.299 1.095 50 0 BDAARO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cn1 ZINC000062070739 175111988 /nfs/dbraw/zinc/11/19/88/175111988.db2.gz DVSAWAQGAUGMMN-QWRGUYRKSA-N 1 0 222.288 1.093 50 0 BDAARO COc1ccc(C[NH2+][C@H]2CCOC2)c(OC)c1 ZINC000076683745 175112253 /nfs/dbraw/zinc/11/22/53/175112253.db2.gz CFGLOWRCWXUDSW-NSHDSACASA-N 1 0 237.299 1.582 50 0 BDAARO COc1ccc(N(C(=O)C[NH3+])[C@@H](C)C2CC2)cc1 ZINC000237248137 175135542 /nfs/dbraw/zinc/13/55/42/175135542.db2.gz RCPSFJYGKORFBJ-JTQLQIEISA-N 1 0 248.326 1.785 50 0 BDAARO COc1ccc(N2C[C@H](C[NH3+])CC2=O)cc1 ZINC000006018312 175140058 /nfs/dbraw/zinc/14/00/58/175140058.db2.gz IQCQAUGHRIVTBI-VIFPVBQESA-N 1 0 220.272 1.007 50 0 BDAARO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000004298636 175145283 /nfs/dbraw/zinc/14/52/83/175145283.db2.gz PULFEDZGBMBXBR-NSHDSACASA-N 1 0 220.272 1.386 50 0 BDAARO COc1ccc(S(=O)(=O)CCCC[NH3+])cc1 ZINC000020223516 175173432 /nfs/dbraw/zinc/17/34/32/175173432.db2.gz SWRAQMTVGCJWQW-UHFFFAOYSA-N 1 0 243.328 1.208 50 0 BDAARO COc1ccc([C@@H]2CCC[N@H+](C)C2)cn1 ZINC000048564121 175182704 /nfs/dbraw/zinc/18/27/04/175182704.db2.gz IEUVJJGBKMXGRU-LLVKDONJSA-N 1 0 206.289 1.899 50 0 BDAARO COc1cccc(-n2cc([C@H](C)[NH3+])cn2)c1 ZINC000019087991 175238979 /nfs/dbraw/zinc/23/89/79/175238979.db2.gz LTQCPXKGRVPFPA-VIFPVBQESA-N 1 0 217.272 1.901 50 0 BDAARO COc1cccc(C(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000041232593 175246930 /nfs/dbraw/zinc/24/69/30/175246930.db2.gz LTSCTVCRKWVZGZ-LLVKDONJSA-N 1 0 219.284 1.878 50 0 BDAARO COc1cccc([C@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000004637220 175296543 /nfs/dbraw/zinc/29/65/43/175296543.db2.gz QEHYLSHVAOVOEZ-GFCCVEGCSA-N 1 0 229.283 1.653 50 0 biogenic BDAARO COc1ccccc1CCC(=O)N1CC[NH2+]CC1 ZINC000019684119 175321819 /nfs/dbraw/zinc/32/18/19/175321819.db2.gz ISLDENNGQVTRRE-UHFFFAOYSA-N 1 0 248.326 1.060 50 0 BDAARO COc1ccccc1[C@@H]1C[NH2+]CCN1C ZINC000020268285 175348923 /nfs/dbraw/zinc/34/89/23/175348923.db2.gz DYELDQSXNPYCMG-NSHDSACASA-N 1 0 206.289 1.271 50 0 BDAARO CSc1ccc(C[NH2+]C[C@@H](C)O)cc1 ZINC000000360577 175575311 /nfs/dbraw/zinc/57/53/11/175575311.db2.gz BAEDSFSLXSDZME-SECBINFHSA-N 1 0 211.330 1.879 50 0 BDAARO C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000035690907 175837309 /nfs/dbraw/zinc/83/73/09/175837309.db2.gz XTHRRRMGYZFWKR-ZJUUUORDSA-N 1 0 227.352 1.472 50 0 BDAARO C[C@@H](Oc1ccc(F)cc1)[C@@H](O)CC[NH+](C)C ZINC000005696629 176003846 /nfs/dbraw/zinc/00/38/46/176003846.db2.gz PAJIAAWOFBIJMM-MFKMUULPSA-N 1 0 241.306 1.906 50 0 BDAARO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H](C)n1cccn1 ZINC000069490220 176011250 /nfs/dbraw/zinc/01/12/50/176011250.db2.gz CWUVKBBDGDVUEX-MNOVXSKESA-N 1 0 233.319 1.356 50 0 BDAARO C[C@@H]([NH2+]Cc1cc[nH]n1)[C@H](C)n1cccn1 ZINC000069372514 176011284 /nfs/dbraw/zinc/01/12/84/176011284.db2.gz PAJSRQVSEIWALS-ZJUUUORDSA-N 1 0 219.292 1.346 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCO)C1 ZINC000084686134 176052089 /nfs/dbraw/zinc/05/20/89/176052089.db2.gz VEQYPHJTDIRONH-YPMHNXCESA-N 1 0 229.364 1.536 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)[C@H]1C[NH3+] ZINC000070177060 176093332 /nfs/dbraw/zinc/09/33/32/176093332.db2.gz WWVVNZGEDAPZTG-WOPDTQHZSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CC[NH2+]C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000035270116 176184992 /nfs/dbraw/zinc/18/49/92/176184992.db2.gz XRIARWQZLGCQDM-KOLCDFICSA-N 1 0 245.330 1.392 50 0 BDAARO C[C@@H]1CC[C@@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757194 176208656 /nfs/dbraw/zinc/20/86/56/176208656.db2.gz UIRHXVCMGIHNGY-MWLCHTKSSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC(C)(C)O1 ZINC000127470673 176264413 /nfs/dbraw/zinc/26/44/13/176264413.db2.gz ULXTXTNJHNTJLW-SECBINFHSA-N 1 0 249.314 1.303 50 0 BDAARO C[C@@H]1C[N@H+](CCCCCF)C[C@@H](CO)O1 ZINC000252480674 176288144 /nfs/dbraw/zinc/28/81/44/176288144.db2.gz CCHATHHODYUEIF-MNOVXSKESA-N 1 0 219.300 1.208 50 0 BDAARO C[C@@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000040456337 176291842 /nfs/dbraw/zinc/29/18/42/176291842.db2.gz OMTFNXRYNFLYNB-GFCCVEGCSA-N 1 0 220.316 1.359 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000195555555 176642472 /nfs/dbraw/zinc/64/24/72/176642472.db2.gz GZVGDQZSELVZSH-IJLUTSLNSA-N 1 0 223.320 1.429 50 0 BDAARO C[C@H](C[NH3+])Cn1cc(Br)cn1 ZINC000012397759 176659940 /nfs/dbraw/zinc/65/99/40/176659940.db2.gz WIZVAGSZZSJQEO-ZCFIWIBFSA-N 1 0 218.098 1.240 50 0 BDAARO C[C@H]([NH2+]C1CCCCC1)C(=O)N1CCOCC1 ZINC000034936737 176829781 /nfs/dbraw/zinc/82/97/81/176829781.db2.gz CLTIUQUOYMQJCQ-NSHDSACASA-N 1 0 240.347 1.156 50 0 BDAARO C[C@H](O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000082930909 177015665 /nfs/dbraw/zinc/01/56/65/177015665.db2.gz ANQRCZQKWVDTIB-AAEUAGOBSA-N 1 0 205.301 1.889 50 0 BDAARO C[C@H](c1ccco1)[N@H+](C)CCn1cncn1 ZINC000242324482 177047346 /nfs/dbraw/zinc/04/73/46/177047346.db2.gz ZBRNPNOUPRVNEQ-SNVBAGLBSA-N 1 0 220.276 1.564 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000019411044 177072865 /nfs/dbraw/zinc/07/28/65/177072865.db2.gz DCHRCMONPYHVGY-WDEREUQCSA-N 1 0 210.321 1.530 50 0 BDAARO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1ccncc1 ZINC000069771953 177181924 /nfs/dbraw/zinc/18/19/24/177181924.db2.gz ZKWVYCKUMQPJEW-WCQYABFASA-N 1 0 247.342 1.210 50 0 BDAARO C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@@H]1C ZINC000086011816 177212556 /nfs/dbraw/zinc/21/25/56/177212556.db2.gz KCVIRWCBBZUZTN-QWRGUYRKSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H](C)[NH2+]1 ZINC000132719297 177215527 /nfs/dbraw/zinc/21/55/27/177215527.db2.gz ANKXBIRNLBMBKD-TXEJJXNPSA-N 1 0 247.342 1.223 50 0 BDAARO C[C@H]1CN(Cc2ccccc2)CCC[NH2+]1 ZINC000062569201 177264352 /nfs/dbraw/zinc/26/43/52/177264352.db2.gz NGECKXKOOXAGCQ-LBPRGKRZSA-N 1 0 204.317 1.870 50 0 BDAARO C[C@H]1C[NH2+]C[C@H](C)N1C(=O)OC(C)(C)C ZINC000060280133 177286075 /nfs/dbraw/zinc/28/60/75/177286075.db2.gz RBOGBIZGALIITO-IUCAKERBSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@H]1C[C@H]([NH+]2CCCCCCC2)C(=O)O1 ZINC000069658458 177366009 /nfs/dbraw/zinc/36/60/09/177366009.db2.gz GWLINXJLVCCKFQ-QWRGUYRKSA-N 1 0 211.305 1.957 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2cccnc2)C1 ZINC000255508703 322932518 /nfs/dbraw/zinc/93/25/18/322932518.db2.gz RIFPLLIEXOXHEJ-DSYXLKISSA-N 1 0 245.326 1.163 50 0 BDAARO Cc1cc[nH+]c(NC[C@H](CO)[C@@H]2CCOC2)c1 ZINC000684601898 487944992 /nfs/dbraw/zinc/94/49/92/487944992.db2.gz JIZYWIPXJSTKCP-VXGBXAGGSA-N 1 0 236.315 1.447 50 0 BDAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H]1CC1(F)F)C2 ZINC000534645488 323156754 /nfs/dbraw/zinc/15/67/54/323156754.db2.gz YAFJKBBFUJKIDK-PKIKSRDPSA-N 1 0 244.285 1.227 50 0 BDAARO OCC1(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000534658136 323157943 /nfs/dbraw/zinc/15/79/43/323157943.db2.gz AIGQQNYFAHBZMJ-ZDUSSCGKSA-N 1 0 246.354 1.627 50 0 BDAARO c1cn(CC[NH2+][C@H]2CCc3ccccc3C2)nn1 ZINC000123683117 323172387 /nfs/dbraw/zinc/17/23/87/323172387.db2.gz SNDJSRBKNOXQRL-AWEZNQCLSA-N 1 0 242.326 1.425 50 0 BDAARO C[NH2+]CC(=O)N1C[C@H](C)Oc2cc(C)ccc21 ZINC000083909447 487962594 /nfs/dbraw/zinc/96/25/94/487962594.db2.gz STAVZWZFOLFOPV-JTQLQIEISA-N 1 0 234.299 1.328 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC000091492688 488054549 /nfs/dbraw/zinc/05/45/49/488054549.db2.gz ATZSVIAVVSFJQO-SNVBAGLBSA-N 1 0 238.375 1.879 50 0 BDAARO CCc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)o1 ZINC000091762654 488062283 /nfs/dbraw/zinc/06/22/83/488062283.db2.gz QCBUKEFNBBOGCS-SNVBAGLBSA-N 1 0 236.315 1.524 50 0 BDAARO Cc1ncc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cn1 ZINC000670433942 487485488 /nfs/dbraw/zinc/48/54/88/487485488.db2.gz VYCPKYJKCPOZRY-GFCCVEGCSA-N 1 0 235.331 1.378 50 0 BDAARO [NH3+][C@@H]1CC[C@@H](n2cnc3c(F)cccc3c2=O)C1 ZINC000670465565 487519316 /nfs/dbraw/zinc/51/93/16/487519316.db2.gz AWWGCVZVPUYHOG-RKDXNWHRSA-N 1 0 247.273 1.588 50 0 BDAARO OCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000223449158 488162968 /nfs/dbraw/zinc/16/29/68/488162968.db2.gz OVIKGOIRPPXDSW-LBPRGKRZSA-N 1 0 219.328 1.764 50 0 BDAARO [NH3+][C@H]1CCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000085375932 488165562 /nfs/dbraw/zinc/16/55/62/488165562.db2.gz OMROCZVTPZWVMR-STQMWFEESA-N 1 0 236.359 1.762 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CC[C@H]1[NH2+]2 ZINC000208325323 490193138 /nfs/dbraw/zinc/19/31/38/490193138.db2.gz KAZCIFZEEFNPOF-IVZWLZJFSA-N 1 0 226.320 1.794 50 0 BDAARO C[N@H+](CC1(C)COC1)C1CSCCSC1 ZINC000670436351 491105263 /nfs/dbraw/zinc/10/52/63/491105263.db2.gz QCBUJYKEKWYUEQ-UHFFFAOYSA-N 1 0 247.429 1.803 50 0 BDAARO C[NH+](C)[C@@H]1CCCN(Cc2cccnc2N)CC1 ZINC000072122611 491122364 /nfs/dbraw/zinc/12/23/64/491122364.db2.gz UMDUCUYFCRMHPG-CYBMUJFWSA-N 1 0 248.374 1.580 50 0 BDAARO C[n+]1ccccc1COc1cccc(C=O)c1 ZINC000000337658 518185641 /nfs/dbraw/zinc/18/56/41/518185641.db2.gz IKPVBRGJYWQXJW-UHFFFAOYSA-N 1 0 228.271 1.903 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000165836610 519828836 /nfs/dbraw/zinc/82/88/36/519828836.db2.gz CICZAYZNESYQIY-IJLUTSLNSA-N 1 0 213.321 1.426 50 0 BDAARO CC(C)c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1 ZINC000334163815 519911757 /nfs/dbraw/zinc/91/17/57/519911757.db2.gz JEJITCQGLVZCHG-CABZTGNLSA-N 1 0 221.304 1.834 50 0 BDAARO C[NH+](C)CCOC(=O)COc1ccc(F)cc1 ZINC000001855818 521792257 /nfs/dbraw/zinc/79/22/57/521792257.db2.gz LUNCUCCYIKPZIY-UHFFFAOYSA-N 1 0 241.262 1.309 50 0 BDAARO CO[C@@]1(C)C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000072511803 523813784 /nfs/dbraw/zinc/81/37/84/523813784.db2.gz ZCYGXJQQPATVKV-KWBADKCTSA-N 1 0 240.347 1.058 50 0 BDAARO COc1ccccc1/C=C/C(=O)N1CC[C@H]([NH3+])C1 ZINC000229018082 524312384 /nfs/dbraw/zinc/31/23/84/524312384.db2.gz VDQNZHYWTZKXEV-SYTKJHMZSA-N 1 0 246.310 1.268 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000082835793 524706434 /nfs/dbraw/zinc/70/64/34/524706434.db2.gz BAKPVAVNBBJVPQ-NOOOWODRSA-N 1 0 245.388 1.588 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717638 524991405 /nfs/dbraw/zinc/99/14/05/524991405.db2.gz YFVZXACWWSBRNT-RYUDHWBXSA-N 1 0 244.338 1.964 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000241969537 525304332 /nfs/dbraw/zinc/30/43/32/525304332.db2.gz UXERNLWKJFOGRW-DVVUODLYSA-N 1 0 210.321 1.099 50 0 BDAARO C[C@]1(O)[C@@H]2COC[C@H]2CC[C@H]1[NH+]1CCCCC1 ZINC000239310240 525313511 /nfs/dbraw/zinc/31/35/11/525313511.db2.gz IGEZJEREOXOJJR-SYQHCUMBSA-N 1 0 239.359 1.648 50 0 BDAARO COc1ccc2c(c1)[C@@H]1CCC[NH2+][C@@H]1CO2 ZINC000059470872 525579471 /nfs/dbraw/zinc/57/94/71/525579471.db2.gz ODUMGSVRAHLVDM-CMPLNLGQSA-N 1 0 219.284 1.923 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)n1 ZINC000088059193 526117484 /nfs/dbraw/zinc/11/74/84/526117484.db2.gz HSICXWLPLUSUOQ-SNVBAGLBSA-N 1 0 233.315 1.132 50 0 BDAARO c1coc(C[NH2+]CCOc2ccccn2)c1 ZINC000035287222 526568279 /nfs/dbraw/zinc/56/82/79/526568279.db2.gz RMGIKRSEGHAEEZ-UHFFFAOYSA-N 1 0 218.256 1.843 50 0 BDAARO Cn1cc(CNC(=[NH2+])NCc2ccccc2)cn1 ZINC000069816730 527208604 /nfs/dbraw/zinc/20/86/04/527208604.db2.gz XKECAFSALQTFLD-UHFFFAOYSA-N 1 0 243.314 1.234 50 0 BDAARO COC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC000044199581 536818172 /nfs/dbraw/zinc/81/81/72/536818172.db2.gz CCGKFTBYGATDLZ-UHFFFAOYSA-N 1 0 234.299 1.225 50 0 BDAARO COCCOC[C@H]([NH3+])c1ccc(F)cc1 ZINC000019269677 582458542 /nfs/dbraw/zinc/45/85/42/582458542.db2.gz ZETHIPPUWHOPKB-NSHDSACASA-N 1 0 213.252 1.489 50 0 BDAARO CN1CCC[C@@](O)(C[NH+]2CCCCCC2)C1 ZINC000046087841 583150493 /nfs/dbraw/zinc/15/04/93/583150493.db2.gz AMADGCJZWQUJJA-ZDUSSCGKSA-N 1 0 226.364 1.319 50 0 BDAARO Cc1n[nH]cc1C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000020776245 583852531 /nfs/dbraw/zinc/85/25/31/583852531.db2.gz VLGAIABUBWPJSA-CQSZACIVSA-N 1 0 245.326 1.884 50 0 BDAARO Cc1n[nH]cc1C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000020776248 583852575 /nfs/dbraw/zinc/85/25/75/583852575.db2.gz VLGAIABUBWPJSA-AWEZNQCLSA-N 1 0 245.326 1.884 50 0 BDAARO C(C[N@@H+]1CCC2(CCCC2)C1)N1CCOCC1 ZINC000743864098 585141479 /nfs/dbraw/zinc/14/14/79/585141479.db2.gz VOSTYBFKOKWZBW-UHFFFAOYSA-N 1 0 238.375 1.585 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@H]1CC[NH2+]C[C@H]1N ZINC000757212163 586438870 /nfs/dbraw/zinc/43/88/70/586438870.db2.gz MEGAAEBYUSQOSI-ZYHUDNBSSA-N 1 0 230.315 1.276 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+][C@H](CN)C1 ZINC000757215138 586440145 /nfs/dbraw/zinc/44/01/45/586440145.db2.gz VAJUHQAFFJVQMU-PWSUYJOCSA-N 1 0 244.342 1.666 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1CC[NH2+][C@@H](CN)C1 ZINC000757215139 586440250 /nfs/dbraw/zinc/44/02/50/586440250.db2.gz VAJUHQAFFJVQMU-ZYHUDNBSSA-N 1 0 244.342 1.666 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@H]1C[NH2+]CC[C@H]1[NH3+] ZINC000757214391 586440461 /nfs/dbraw/zinc/44/04/61/586440461.db2.gz SEBDDRRLCRPNDR-VXGBXAGGSA-N 1 0 230.315 1.276 50 0 BDAARO CC(C)([NH3+])CNC(=O)c1csc(Cl)n1 ZINC000864095883 589344785 /nfs/dbraw/zinc/34/47/85/589344785.db2.gz KRDKOCFIIHSODB-UHFFFAOYSA-N 1 0 233.724 1.264 50 0 BDAARO Cc1n(C)cc[n+]1Cc1ccccc1F ZINC000000281340 635143323 /nfs/dbraw/zinc/14/33/23/635143323.db2.gz SWAKLBBMBWNHOM-UHFFFAOYSA-N 1 0 205.256 1.808 50 0 BDAARO CCC(O)(CC)[C@H]([NH3+])c1ccns1 ZINC000958527858 635550723 /nfs/dbraw/zinc/55/07/23/635550723.db2.gz GUBBDAPIBXFSQC-MRVPVSSYSA-N 1 0 200.307 1.694 50 0 BDAARO CC(C)C[C@@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958528809 635553817 /nfs/dbraw/zinc/55/38/17/635553817.db2.gz VVCYBZGHZDIWFA-LLVKDONJSA-N 1 0 243.347 1.408 50 0 BDAARO COCC(Br)=C=CC[NH+](C)C ZINC000002963327 632007889 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/nfs/dbraw/zinc/77/78/99/988777899.db2.gz FLOQRMLEOGWUJJ-UHFFFAOYSA-N 1 0 248.330 1.645 50 0 BDAARO CCc1nccn1C[C@H](C)[NH2+]CCn1cccn1 ZINC001506409072 988778882 /nfs/dbraw/zinc/77/88/82/988778882.db2.gz FRHRLJLEVRUQFH-LBPRGKRZSA-N 1 0 247.346 1.320 50 0 BDAARO Cc1c(C[N@@H+](C)CCc2nccn2C)cnn1C ZINC001506428168 988784676 /nfs/dbraw/zinc/78/46/76/988784676.db2.gz XSQSWKMLNBEKMO-UHFFFAOYSA-N 1 0 247.346 1.137 50 0 BDAARO CC1(C)Cc2cc(C[NH2+]CCCO)ccc2O1 ZINC000071170154 398143631 /nfs/dbraw/zinc/14/36/31/398143631.db2.gz NSJHZKAJYASQHK-UHFFFAOYSA-N 1 0 235.327 1.872 50 0 BDAARO Cc1cc(C[NH2+][C@H]2COc3ccccc3C2)[nH]n1 ZINC000020203242 178041706 /nfs/dbraw/zinc/04/17/06/178041706.db2.gz YCIWITWBSUHYOF-CYBMUJFWSA-N 1 0 243.310 1.811 50 0 BDAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1ncc[nH]1 ZINC000072425301 398180786 /nfs/dbraw/zinc/18/07/86/398180786.db2.gz ITYXKAQHPIPOCR-LBPRGKRZSA-N 1 0 236.363 1.716 50 0 BDAARO Cc1cc(F)cc2c(=O)c3c([nH]c12)CC[NH2+]C3 ZINC000070451509 178079244 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/nfs/dbraw/zinc/67/65/88/342676588.db2.gz SFTSSVCRTXAUQR-VIFPVBQESA-N 1 0 231.299 1.174 50 0 biogenic BDAARO COC[C@H](C)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000000263813 342681654 /nfs/dbraw/zinc/68/16/54/342681654.db2.gz VIZVBQKOOJYGKL-JTQLQIEISA-N 1 0 239.315 1.828 50 0 BDAARO Cn1cccc1C[NH2+]Cc1ccncc1 ZINC000000360308 342684896 /nfs/dbraw/zinc/68/48/96/342684896.db2.gz CHOVMIQTNGTCKP-UHFFFAOYSA-N 1 0 201.273 1.710 50 0 BDAARO CN1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000000757874 342692246 /nfs/dbraw/zinc/69/22/46/342692246.db2.gz ISOUJYYDRUUWMG-UHFFFAOYSA-N 1 0 248.370 1.575 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccc(N)cc1 ZINC000001530756 342702482 /nfs/dbraw/zinc/70/24/82/342702482.db2.gz REQCZEXYDRLIBE-UHFFFAOYSA-N 1 0 235.331 1.340 50 0 fda BDAARO CC[C@]1(C2=[NH+]CCN2)Cc2ccccc2O1 ZINC000001842775 342712948 /nfs/dbraw/zinc/71/29/48/342712948.db2.gz RATZLMXRALDSJW-CYBMUJFWSA-N 1 0 216.284 1.772 50 0 world BDAARO Cc1cc(C[NH2+][C@@H]2CCNC(=O)CC2)cnc1C ZINC000584903038 342713748 /nfs/dbraw/zinc/71/37/48/342713748.db2.gz RQZLTKUMWHTZSP-ZDUSSCGKSA-N 1 0 247.342 1.457 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@@H](C)[C@@H](O)C1 ZINC000253394500 398279047 /nfs/dbraw/zinc/27/90/47/398279047.db2.gz ZTNWUIJERJCSRM-OLZOCXBDSA-N 1 0 228.380 1.421 50 0 BDAARO COc1cc(CC[NH3+])ccc1OC(F)F ZINC000004206428 342744253 /nfs/dbraw/zinc/74/42/53/342744253.db2.gz URLINGHNVATZQW-UHFFFAOYSA-N 1 0 217.215 1.798 50 0 BDAARO CC(C)c1ccccc1OC[C@H](O)C[NH3+] ZINC000002454827 342720658 /nfs/dbraw/zinc/72/06/58/342720658.db2.gz HIGYZZYUTJWRJR-SNVBAGLBSA-N 1 0 209.289 1.508 50 0 BDAARO O=C1CC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000002455949 342721111 /nfs/dbraw/zinc/72/11/11/342721111.db2.gz QHNDQKSXDVVXIB-UHFFFAOYSA-N 1 0 217.268 1.774 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(C(N)=[NH2+])CC1 ZINC000002547900 342723758 /nfs/dbraw/zinc/72/37/58/342723758.db2.gz ZDZXZKQTFNUKKG-UHFFFAOYSA-N 1 0 227.308 1.569 50 0 BDAARO CCOc1cc(C[NH2+]C)ccc1OCCO ZINC000002863707 342727439 /nfs/dbraw/zinc/72/74/39/342727439.db2.gz DSGCZEPFXJFAFI-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO CCOc1cccc(OCCC[NH2+]CCO)c1 ZINC000003003602 342729206 /nfs/dbraw/zinc/72/92/06/342729206.db2.gz ZLOKINDRXOQFCY-UHFFFAOYSA-N 1 0 239.315 1.436 50 0 BDAARO C[C@@H](O)C[N@H+](C[C@H](C)O)C[C@H]1CC=CCC1 ZINC000004612457 342749671 /nfs/dbraw/zinc/74/96/71/342749671.db2.gz OBFTVZRVSNHQDB-XQQFMLRXSA-N 1 0 227.348 1.406 50 0 BDAARO [NH3+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000003739190 342737436 /nfs/dbraw/zinc/73/74/36/342737436.db2.gz UZOVCJLWNHBMIQ-GFCCVEGCSA-N 1 0 205.257 1.868 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000004991129 342755966 /nfs/dbraw/zinc/75/59/66/342755966.db2.gz YLHKDNSEEFJIGV-UHFFFAOYSA-N 1 0 236.315 1.976 50 0 BDAARO Cc1ccc2[nH]c(N3CC[NH+](C)CC3)nc2c1 ZINC000005013411 342756558 /nfs/dbraw/zinc/75/65/58/342756558.db2.gz PRXJRQGRALJKMP-UHFFFAOYSA-N 1 0 230.315 1.623 50 0 BDAARO O=C(C[NH+]1CCCC1)NC1CCCCC1 ZINC000005064183 342757432 /nfs/dbraw/zinc/75/74/32/342757432.db2.gz NBZYCUYUXUDYNL-UHFFFAOYSA-N 1 0 210.321 1.531 50 0 BDAARO CNC(=O)CC[NH2+][C@@H](C)c1ccccc1 ZINC000006183084 342774724 /nfs/dbraw/zinc/77/47/24/342774724.db2.gz PBGCDCYQKSRETP-JTQLQIEISA-N 1 0 206.289 1.473 50 0 BDAARO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)o1 ZINC000097374053 342790924 /nfs/dbraw/zinc/79/09/24/342790924.db2.gz LUSCYPVJGKJKGA-LLVKDONJSA-N 1 0 236.315 1.861 50 0 BDAARO CCN1CCC[C@H]([NH+]2CCC(CCO)CC2)C1 ZINC000032565291 342838471 /nfs/dbraw/zinc/83/84/71/342838471.db2.gz UZCCJCJUBCGCMQ-AWEZNQCLSA-N 1 0 240.391 1.565 50 0 BDAARO Cc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1C ZINC000015015139 342890711 /nfs/dbraw/zinc/89/07/11/342890711.db2.gz LJADIEBJFWXYIR-JTQLQIEISA-N 1 0 204.273 1.367 50 0 BDAARO C[N@H+](CCOc1ccc(F)cc1)CCC(N)=O ZINC000016421554 342910431 /nfs/dbraw/zinc/91/04/31/342910431.db2.gz GZSIQBWOQCODDC-UHFFFAOYSA-N 1 0 240.278 1.012 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000016580457 342912499 /nfs/dbraw/zinc/91/24/99/342912499.db2.gz ADJDDCLUGPVSCT-UHFFFAOYSA-N 1 0 232.327 1.901 50 0 BDAARO O=C1N=CNC12CC[NH+](Cc1ccccc1)CC2 ZINC000016696989 342914375 /nfs/dbraw/zinc/91/43/75/342914375.db2.gz KHRPQBDFNGEGGO-UHFFFAOYSA-N 1 0 243.310 1.179 50 0 BDAARO O=C(CCc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000019277716 342945045 /nfs/dbraw/zinc/94/50/45/342945045.db2.gz HIAZOMKBOXFTGZ-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO Cc1csc(NC(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000019412922 342948237 /nfs/dbraw/zinc/94/82/37/342948237.db2.gz HJPBFOISCFZWMJ-MRVPVSSYSA-N 1 0 225.317 1.390 50 0 BDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ccccc2C1 ZINC000019411923 342948270 /nfs/dbraw/zinc/94/82/70/342948270.db2.gz OZXISUIVUAGBAT-CYBMUJFWSA-N 1 0 244.338 1.571 50 0 BDAARO CC(C)C[C@@H]([NH3+])c1nnc2ccccn21 ZINC000019480744 342949762 /nfs/dbraw/zinc/94/97/62/342949762.db2.gz STGGMMMPXMVMBT-SECBINFHSA-N 1 0 204.277 1.775 50 0 BDAARO c1csc(C[NH2+]CCN2CCOCC2)c1 ZINC000019370642 342947389 /nfs/dbraw/zinc/94/73/89/342947389.db2.gz VHROIJPHMUHZIT-UHFFFAOYSA-N 1 0 226.345 1.170 50 0 BDAARO [NH3+][C@H](CN1CCOCC1)c1ccccc1 ZINC000019369243 342947413 /nfs/dbraw/zinc/94/74/13/342947413.db2.gz CLAGARRWBBUZDR-GFCCVEGCSA-N 1 0 206.289 1.019 50 0 BDAARO COc1ccc(CC(=O)N2CCC[NH2+]CC2)cc1 ZINC000019401532 342947735 /nfs/dbraw/zinc/94/77/35/342947735.db2.gz JDJCFRZHFPORNR-UHFFFAOYSA-N 1 0 248.326 1.060 50 0 BDAARO Cc1ccsc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019772602 342957035 /nfs/dbraw/zinc/95/70/35/342957035.db2.gz NEVTUOXMXBKTFQ-SECBINFHSA-N 1 0 245.369 1.333 50 0 BDAARO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000112716563 187208063 /nfs/dbraw/zinc/20/80/63/187208063.db2.gz WPLSZJAIZMZHLJ-NSHDSACASA-N 1 0 236.315 1.754 50 0 BDAARO CC[C@@H](C)C[NH2+]Cc1nnc2ccccn21 ZINC000020185700 342975039 /nfs/dbraw/zinc/97/50/39/342975039.db2.gz AGMCBPVDOSESCL-SNVBAGLBSA-N 1 0 218.304 1.865 50 0 BDAARO C[C@H]([NH3+])[C@H](O)c1ccc(Br)cc1 ZINC000020216881 342977682 /nfs/dbraw/zinc/97/76/82/342977682.db2.gz CLWNDLFWAFLCSS-RCOVLWMOSA-N 1 0 230.105 1.830 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1ccccc1F ZINC000020579214 342991670 /nfs/dbraw/zinc/99/16/70/342991670.db2.gz YTOGQBIMZKTOOP-VIFPVBQESA-N 1 0 211.236 1.116 50 0 BDAARO COc1ccc([C@@H](C)N2CC[NH2+]CC2)cc1 ZINC000020264265 342978882 /nfs/dbraw/zinc/97/88/82/342978882.db2.gz NUEIIUPFZALIBH-LLVKDONJSA-N 1 0 220.316 1.661 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000020457458 342985590 /nfs/dbraw/zinc/98/55/90/342985590.db2.gz MKVTWSAOPPSXFS-NSHDSACASA-N 1 0 238.718 1.903 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC000022015990 343035540 /nfs/dbraw/zinc/03/55/40/343035540.db2.gz RVRRDUVETGVTPA-IUCAKERBSA-N 1 0 212.293 1.358 50 0 BDAARO Fc1cccc(CCN2CC[NH2+]CC2)c1 ZINC000022028480 343037031 /nfs/dbraw/zinc/03/70/31/343037031.db2.gz GSSODEWYFSLYLJ-UHFFFAOYSA-N 1 0 208.280 1.273 50 0 BDAARO CN(C)c1nc(-c2ccccc2)[n+](C)s1 ZINC000012378378 343050616 /nfs/dbraw/zinc/05/06/16/343050616.db2.gz GLOHANSTICKTGM-UHFFFAOYSA-N 1 0 220.321 1.701 50 0 BDAARO O=c1ccc(-c2cccc3c2CC[NH2+]C3)c[nH]1 ZINC000072153399 343061887 /nfs/dbraw/zinc/06/18/87/343061887.db2.gz RPSBAPAWHKQVMR-UHFFFAOYSA-N 1 0 226.279 1.688 50 0 BDAARO O=C1NCCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000006158120 343067826 /nfs/dbraw/zinc/06/78/26/343067826.db2.gz UZWNXMOVIQFGLT-LBPRGKRZSA-N 1 0 224.348 1.968 50 0 BDAARO Cc1csc(C[NH2+][C@@H]2CN3CCC2CC3)n1 ZINC000038090900 343143323 /nfs/dbraw/zinc/14/33/23/343143323.db2.gz ZKSZARCHPLNTJO-LLVKDONJSA-N 1 0 237.372 1.635 50 0 BDAARO CCn1ncc(Br)c1C[NH3+] ZINC000002537529 187245897 /nfs/dbraw/zinc/24/58/97/187245897.db2.gz BTUXJKUWEKBRGC-UHFFFAOYSA-N 1 0 204.071 1.124 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1 ZINC000004795498 187248019 /nfs/dbraw/zinc/24/80/19/187248019.db2.gz IBMJEJFJDQFSCM-PWSUYJOCSA-N 1 0 220.316 1.847 50 0 BDAARO CN1CCC([N@H+](C)CCC2CCOCC2)CC1 ZINC000032507864 343236709 /nfs/dbraw/zinc/23/67/09/343236709.db2.gz CMYCJOVGYWRHMR-UHFFFAOYSA-N 1 0 240.391 1.829 50 0 BDAARO CCN(Cc1ccccc1)C(=O)n1cc[n+](C)c1 ZINC000032628718 343238773 /nfs/dbraw/zinc/23/87/73/343238773.db2.gz IVFHBPHHIVXGBI-UHFFFAOYSA-N 1 0 244.318 1.803 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(F)(C[NH3+])CC1 ZINC000032914993 343244053 /nfs/dbraw/zinc/24/40/53/343244053.db2.gz FCYNTMBZASDPHJ-UHFFFAOYSA-N 1 0 232.299 1.684 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)Nc1nccs1 ZINC000019483191 187252421 /nfs/dbraw/zinc/25/24/21/187252421.db2.gz DVYUPIGMLMFLTJ-ZETCQYMHSA-N 1 0 213.306 1.455 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000034371241 343268925 /nfs/dbraw/zinc/26/89/25/343268925.db2.gz MNJCZOJFFXXZKR-SECBINFHSA-N 1 0 228.336 1.981 50 0 BDAARO COC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000034597319 343275831 /nfs/dbraw/zinc/27/58/31/343275831.db2.gz CMWWHIMPISTSBA-SNVBAGLBSA-N 1 0 207.273 1.886 50 0 BDAARO COC(=O)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000034937828 343281493 /nfs/dbraw/zinc/28/14/93/343281493.db2.gz VUSVBPSGPNINFQ-UHFFFAOYSA-N 1 0 229.226 1.618 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000036873258 343325881 /nfs/dbraw/zinc/32/58/81/343325881.db2.gz ANNWVDZUVCNFRL-ONGXEEELSA-N 1 0 221.304 1.386 50 0 BDAARO Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000025970301 187254562 /nfs/dbraw/zinc/25/45/62/187254562.db2.gz PCVCNAZGPOOIQN-LBPRGKRZSA-N 1 0 223.316 1.733 50 0 BDAARO C[C@H](O)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000035287267 343292552 /nfs/dbraw/zinc/29/25/52/343292552.db2.gz XYMHSKOMOPLKLB-NSHDSACASA-N 1 0 243.310 1.614 50 0 BDAARO Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000035659104 343301607 /nfs/dbraw/zinc/30/16/07/343301607.db2.gz FLZQIFKWNRVEAS-UHFFFAOYSA-N 1 0 246.314 1.020 50 0 BDAARO [NH3+][C@H](CO)c1c(Cl)cccc1Cl ZINC000038124644 343371887 /nfs/dbraw/zinc/37/18/87/343371887.db2.gz ZHLDOQUAIYQCBT-SSDOTTSWSA-N 1 0 206.072 1.986 50 0 BDAARO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH3+])cc1 ZINC000038343238 343374220 /nfs/dbraw/zinc/37/42/20/343374220.db2.gz UYEIEGLYUGHKSN-VIFPVBQESA-N 1 0 217.272 1.494 50 0 BDAARO COc1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000037692200 343351362 /nfs/dbraw/zinc/35/13/62/343351362.db2.gz NXNGMFOPABEQSU-UHFFFAOYSA-N 1 0 209.289 1.556 50 0 BDAARO CC(C)CN1CC[N@H+](CC(C)C)[C@H](CCO)C1 ZINC000039420825 343389754 /nfs/dbraw/zinc/38/97/54/343389754.db2.gz CIDABRGBCPDRAJ-CQSZACIVSA-N 1 0 242.407 1.667 50 0 BDAARO O=C(c1cc2ccccc2s1)N1CC[NH2+]CC1 ZINC000042431853 343437166 /nfs/dbraw/zinc/43/71/66/343437166.db2.gz CVLWFBCLJOBFQT-UHFFFAOYSA-N 1 0 246.335 1.947 50 0 BDAARO O=C(OCC[C@H]1CCC[NH2+]C1)C1CCC1 ZINC000042769283 343451082 /nfs/dbraw/zinc/45/10/82/343451082.db2.gz RSEKWFGJDKDEGG-SNVBAGLBSA-N 1 0 211.305 1.719 50 0 BDAARO COc1cc(C)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042773268 343451835 /nfs/dbraw/zinc/45/18/35/343451835.db2.gz NVISLXFYLSTKMM-LLVKDONJSA-N 1 0 221.300 1.992 50 0 BDAARO Fc1cc(F)cc(CO[C@H]2CC[NH2+]C2)c1 ZINC000042783000 343452879 /nfs/dbraw/zinc/45/28/79/343452879.db2.gz SENQIPKVSADNHD-NSHDSACASA-N 1 0 213.227 1.843 50 0 BDAARO CC(=O)Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000042782846 343453159 /nfs/dbraw/zinc/45/31/59/343453159.db2.gz CRESQTOXLGCJJR-UHFFFAOYSA-N 1 0 234.299 1.776 50 0 BDAARO Cc1nccc(CNC(=[NH2+])NCC(C)C)n1 ZINC000052042691 187271212 /nfs/dbraw/zinc/27/12/12/187271212.db2.gz KSIDDCHAEXEOGC-UHFFFAOYSA-N 1 0 221.308 1.055 50 0 BDAARO Cc1cccc(CC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000052136902 187271482 /nfs/dbraw/zinc/27/14/82/187271482.db2.gz XMTQDRLFCWDUIR-AWEZNQCLSA-N 1 0 246.354 1.877 50 0 BDAARO FC(F)(F)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000062256922 187273427 /nfs/dbraw/zinc/27/34/27/187273427.db2.gz YWPTWUKWNVTFMK-YFKPBYRVSA-N 1 0 221.182 1.555 50 0 BDAARO O=C1N(Cc2ccccc2)CCC[C@]12CC[NH2+]C2 ZINC000096675817 343875213 /nfs/dbraw/zinc/87/52/13/343875213.db2.gz OZTHTGCWHXURCN-OAHLLOKOSA-N 1 0 244.338 1.789 50 0 BDAARO C[C@H]1COCCN(Cc2ccncc2F)C1 ZINC000334763009 343906054 /nfs/dbraw/zinc/90/60/54/343906054.db2.gz KHRVPLPXTZHUKA-SNVBAGLBSA-N 1 0 224.279 1.689 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000052136914 187358613 /nfs/dbraw/zinc/35/86/13/187358613.db2.gz HTKGWVRCNUISDD-ZDUSSCGKSA-N 1 0 232.327 1.345 50 0 BDAARO Cc1ccc(CC[C@@H](C)[NH2+]C(CO)CO)cc1 ZINC000095968593 187289062 /nfs/dbraw/zinc/28/90/62/187289062.db2.gz YCYBKWDXSPOBNY-GFCCVEGCSA-N 1 0 237.343 1.259 50 0 BDAARO C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000004749664 344157370 /nfs/dbraw/zinc/15/73/70/344157370.db2.gz ASFVKOYNTPOQKK-UHFFFAOYSA-N 1 0 218.300 1.511 50 0 BDAARO Cc1ccc(C[C@@H]2CCCN2C(=O)C[NH3+])cc1 ZINC000083888435 178648672 /nfs/dbraw/zinc/64/86/72/178648672.db2.gz UYBCXUAJHAINKI-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO CC1(C)C[N@H+](Cc2cnc[nH]2)CC[C@]1(C)O ZINC000091518844 344281646 /nfs/dbraw/zinc/28/16/46/344281646.db2.gz SFHJUNYXLHGGSV-LBPRGKRZSA-N 1 0 223.320 1.393 50 0 BDAARO C[N@H+](CCCO)Cc1ccc(F)c(F)c1 ZINC000044438554 344539004 /nfs/dbraw/zinc/53/90/04/344539004.db2.gz VQCYGIVOAQBUAT-UHFFFAOYSA-N 1 0 215.243 1.779 50 0 BDAARO CCOc1ccc(CNC(N)=[NH2+])cc1Cl ZINC000000343841 344712212 /nfs/dbraw/zinc/71/22/12/344712212.db2.gz COHSPVNRNFNYIJ-UHFFFAOYSA-N 1 0 227.695 1.722 50 0 BDAARO Cc1ccc(NC(=O)CC[NH3+])c(Cl)c1 ZINC000020471415 178724320 /nfs/dbraw/zinc/72/43/20/178724320.db2.gz WWLCDVBDWUKVGV-UHFFFAOYSA-N 1 0 212.680 1.936 50 0 BDAARO C/C=C/C=C/C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044501881 187292851 /nfs/dbraw/zinc/29/28/51/187292851.db2.gz UDZMSFCCBIFGIR-VLIWCEOLSA-N 1 0 208.305 1.235 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000011754966 344994795 /nfs/dbraw/zinc/99/47/95/344994795.db2.gz QFDXJNNDHFDJPX-NSHDSACASA-N 1 0 238.356 1.730 50 0 BDAARO CN(C(=O)OC(C)(C)C)C1CC2(C[NH2+]C2)C1 ZINC000238303970 345015429 /nfs/dbraw/zinc/01/54/29/345015429.db2.gz GLYFSVIRVVUXKG-UHFFFAOYSA-N 1 0 226.320 1.605 50 0 BDAARO C[NH+](C)CCOCCOc1ccc(F)cc1 ZINC000002823291 187299709 /nfs/dbraw/zinc/29/97/09/187299709.db2.gz NBOIMSWBKUCNOY-UHFFFAOYSA-N 1 0 227.279 1.783 50 0 BDAARO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)C1CC1 ZINC000189140593 345330942 /nfs/dbraw/zinc/33/09/42/345330942.db2.gz MTVPYOUOCBKPFR-SNVBAGLBSA-N 1 0 248.392 1.045 50 0 BDAARO Cc1ccc([C@@](O)(CC[NH3+])C(F)(F)F)o1 ZINC000008981493 178879363 /nfs/dbraw/zinc/87/93/63/178879363.db2.gz LGRROCWYDUUILY-QMMMGPOBSA-N 1 0 223.194 1.687 50 0 BDAARO Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000143944613 345914403 /nfs/dbraw/zinc/91/44/03/345914403.db2.gz RWTJVGLEXNIAME-ZDUSSCGKSA-N 1 0 217.316 1.553 50 0 BDAARO Cc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1C ZINC000088059167 179010422 /nfs/dbraw/zinc/01/04/22/179010422.db2.gz QVASEBUEKAHIAJ-NSHDSACASA-N 1 0 232.327 1.737 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1C ZINC000050245741 179011334 /nfs/dbraw/zinc/01/13/34/179011334.db2.gz JGTDPWUKEFZMIE-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1C ZINC000050245740 179011572 /nfs/dbraw/zinc/01/15/72/179011572.db2.gz JGTDPWUKEFZMIE-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1cccc(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000071412895 179053003 /nfs/dbraw/zinc/05/30/03/179053003.db2.gz CFUIQIOTOKSRSJ-GXTWGEPZSA-N 1 0 246.354 1.652 50 0 BDAARO Cc1cccc(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000020408081 179075085 /nfs/dbraw/zinc/07/50/85/179075085.db2.gz FCYOUKBTZOYXRZ-CYBMUJFWSA-N 1 0 204.317 1.918 50 0 BDAARO Cc1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000105472283 179093757 /nfs/dbraw/zinc/09/37/57/179093757.db2.gz PBZCXQCJXOYEJV-CQSZACIVSA-N 1 0 234.343 1.415 50 0 BDAARO C[C@H](O)C[NH2+]CCOc1ccccc1F ZINC000002879984 346536124 /nfs/dbraw/zinc/53/61/24/346536124.db2.gz ZNYPREBZIWARED-VIFPVBQESA-N 1 0 213.252 1.175 50 0 BDAARO Nc1ccc(C[NH3+])cc1-c1nccs1 ZINC000669379776 537982880 /nfs/dbraw/zinc/98/28/80/537982880.db2.gz CMXOBQJYIJOMQU-UHFFFAOYSA-N 1 0 205.286 1.851 50 0 BDAARO O=C(c1cccs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932098 347208828 /nfs/dbraw/zinc/20/88/28/347208828.db2.gz JLRSHULKQRCCMH-JTQLQIEISA-N 1 0 236.340 1.668 50 0 BDAARO Cc1cccc([C@@H]2CCCN2C(=O)C[NH3+])c1C ZINC000083932533 179189257 /nfs/dbraw/zinc/18/92/57/179189257.db2.gz KIUKGRUGYWXFOF-ZDUSSCGKSA-N 1 0 232.327 1.926 50 0 BDAARO C[C@H](O)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000110695194 347341135 /nfs/dbraw/zinc/34/11/35/347341135.db2.gz JEVHLBXGBCKQKP-QJPTWQEYSA-N 1 0 213.321 1.116 50 0 BDAARO Cc1ccccc1C(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541170 179247064 /nfs/dbraw/zinc/24/70/64/179247064.db2.gz DWDGCYMFIOXKAR-LBPRGKRZSA-N 1 0 232.327 1.948 50 0 BDAARO Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058215848 179250918 /nfs/dbraw/zinc/25/09/18/179250918.db2.gz MWFLUEUNSCAHBJ-GFCCVEGCSA-N 1 0 244.338 1.962 50 0 BDAARO Cc1ccccc1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000094345292 179252734 /nfs/dbraw/zinc/25/27/34/179252734.db2.gz PWYNMVCKSQNNIZ-AAEUAGOBSA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000054369383 179260024 /nfs/dbraw/zinc/26/00/24/179260024.db2.gz TVFCQXFIADEGAO-ZDUSSCGKSA-N 1 0 246.354 1.748 50 0 BDAARO COC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000004011300 347639722 /nfs/dbraw/zinc/63/97/22/347639722.db2.gz YATGIAFCGMOEFX-DCAQKATOSA-N 1 0 201.310 1.569 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000195575863 347648658 /nfs/dbraw/zinc/64/86/58/347648658.db2.gz NHPUVPLQMKVLTF-MJBXVCDLSA-N 1 0 239.359 1.672 50 0 BDAARO Cc1ccccc1C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193563194 179284086 /nfs/dbraw/zinc/28/40/86/179284086.db2.gz RJOHUIMPKRRQJP-DGCLKSJQSA-N 1 0 232.327 1.609 50 0 BDAARO Cc1ccccc1OCCC[NH2+]CCO ZINC000002899609 179309830 /nfs/dbraw/zinc/30/98/30/179309830.db2.gz ZJFMPZPHPSBNDF-UHFFFAOYSA-N 1 0 209.289 1.346 50 0 BDAARO Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000237682125 179351097 /nfs/dbraw/zinc/35/10/97/179351097.db2.gz UDSLUGDATQIYHR-ZIAGYGMSSA-N 1 0 244.338 1.530 50 0 BDAARO Cc1ccnc(SC2CC[NH2+]CC2)n1 ZINC000051332208 179464189 /nfs/dbraw/zinc/46/41/89/179464189.db2.gz ZBCPYCBBMRVWPR-UHFFFAOYSA-N 1 0 209.318 1.629 50 0 BDAARO CC(C)N(c1cc(N)c(N)c[nH+]1)C(C)C ZINC000669383130 538008365 /nfs/dbraw/zinc/00/83/65/538008365.db2.gz YOLBJZCWTMINBP-UHFFFAOYSA-N 1 0 208.309 1.869 50 0 BDAARO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cc[nH]n2)n1 ZINC000066990362 348743019 /nfs/dbraw/zinc/74/30/19/348743019.db2.gz AEQXPIOIWPOOIQ-JTQLQIEISA-N 1 0 233.319 1.401 50 0 BDAARO COc1ccc(OC[C@H]([NH3+])C2CC2)cc1 ZINC000068902350 191002653 /nfs/dbraw/zinc/00/26/53/191002653.db2.gz IDNWWUOFWVTRHR-LBPRGKRZSA-N 1 0 207.273 1.811 50 0 BDAARO CC(C)(C)OC(=O)CCOCCC[NH3+] ZINC000143896675 323238339 /nfs/dbraw/zinc/23/83/39/323238339.db2.gz WOEMZRXBYZNYSR-UHFFFAOYSA-N 1 0 203.282 1.084 50 0 BDAARO CC(C)[N@H+](CCN1CCOCC1)C[C@H]1C[C@@H]1C ZINC000089922122 191022282 /nfs/dbraw/zinc/02/22/82/191022282.db2.gz GLDLHQSNFMELBQ-UONOGXRCSA-N 1 0 240.391 1.685 50 0 BDAARO Cc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000049454773 180106650 /nfs/dbraw/zinc/10/66/50/180106650.db2.gz JNVZBCAOLXXHSB-UHFFFAOYSA-N 1 0 216.288 1.664 50 0 BDAARO Cc1ccc(C[NH2+][C@H]2CCc3nc(C)nn3C2)o1 ZINC000069772860 180112679 /nfs/dbraw/zinc/11/26/79/180112679.db2.gz VKFNYQSEACADGP-NSHDSACASA-N 1 0 246.314 1.593 50 0 BDAARO CC(=O)CN1c2ccccc2N2CCC[NH+]=C12 ZINC000100616641 191063345 /nfs/dbraw/zinc/06/33/45/191063345.db2.gz HKPUHVMJYBKFCE-UHFFFAOYSA-N 1 0 229.283 1.662 50 0 BDAARO CCOC(=O)c1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000040449200 350365020 /nfs/dbraw/zinc/36/50/20/350365020.db2.gz VYUFYLACNZGLTJ-JTQLQIEISA-N 1 0 221.256 1.126 50 0 BDAARO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCOC3)cc12 ZINC000095015623 180365419 /nfs/dbraw/zinc/36/54/19/180365419.db2.gz RVINFKBOSMQWAN-NSHDSACASA-N 1 0 246.314 1.155 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1F ZINC000035018741 351381819 /nfs/dbraw/zinc/38/18/19/351381819.db2.gz OJCBINJWMZWXRK-YFKPBYRVSA-N 1 0 216.643 1.765 50 0 BDAARO C=CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000521396818 259425326 /nfs/dbraw/zinc/42/53/26/259425326.db2.gz MUYBHWSCSGQFBA-QWRGUYRKSA-N 1 0 210.321 1.409 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCCC1 ZINC000044893797 352480858 /nfs/dbraw/zinc/48/08/58/352480858.db2.gz UIKRHMRDTUWABB-LBPRGKRZSA-N 1 0 224.348 1.777 50 0 BDAARO Cc1ccc(OCC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000178524161 187905742 /nfs/dbraw/zinc/90/57/42/187905742.db2.gz ULKTZNSOCPDAOE-LBPRGKRZSA-N 1 0 248.326 1.181 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000040448610 187945113 /nfs/dbraw/zinc/94/51/13/187945113.db2.gz CQJSNQCNXVJXDM-VHSXEESVSA-N 1 0 226.320 1.463 50 0 BDAARO CC(=O)Nc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000019681528 187934256 /nfs/dbraw/zinc/93/42/56/187934256.db2.gz IISWNLCTUZJDGF-UHFFFAOYSA-N 1 0 247.342 1.093 50 0 BDAARO CC(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC000032917415 187938932 /nfs/dbraw/zinc/93/89/32/187938932.db2.gz PVPQEZCKPMDKCA-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO Cc1n[nH]cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223931359 188010186 /nfs/dbraw/zinc/01/01/86/188010186.db2.gz DOAGEVJWXYLRKG-OLZOCXBDSA-N 1 0 234.347 1.435 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N(C)CCc1nccs1 ZINC000097234169 188017816 /nfs/dbraw/zinc/01/78/16/188017816.db2.gz IWQXRVCBKMVVBO-JTQLQIEISA-N 1 0 241.360 1.127 50 0 BDAARO CC(C)=CC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000097103592 188018064 /nfs/dbraw/zinc/01/80/64/188018064.db2.gz UXRQKNMFCSEDHW-MNOVXSKESA-N 1 0 210.321 1.586 50 0 BDAARO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC000241316957 188019267 /nfs/dbraw/zinc/01/92/67/188019267.db2.gz LWKNHECUJPITCG-ZDUSSCGKSA-N 1 0 239.290 1.598 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(Cl)cc1Cl ZINC000034384618 363207885 /nfs/dbraw/zinc/20/78/85/363207885.db2.gz VWMOCFARWTYBNT-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO Fc1cccc(F)c1C[NH2+]CCn1cccn1 ZINC000042351736 181000144 /nfs/dbraw/zinc/00/01/44/181000144.db2.gz YQGPTZZWWRTXQQ-UHFFFAOYSA-N 1 0 237.253 1.951 50 0 BDAARO Fc1cccc(F)c1CN1CC[NH2+]CC1 ZINC000020286877 181000820 /nfs/dbraw/zinc/00/08/20/181000820.db2.gz DCUMZROHXKMGAR-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO Fc1ccccc1OCC[NH2+]CCn1cccn1 ZINC000069918951 181014536 /nfs/dbraw/zinc/01/45/36/181014536.db2.gz NAKRCTWFGBWZEP-UHFFFAOYSA-N 1 0 249.289 1.691 50 0 BDAARO Fc1ccccc1OCCN1CC[NH2+]CC1 ZINC000019728601 181014015 /nfs/dbraw/zinc/01/40/15/181014015.db2.gz ZIDLWEFXRRUFGQ-UHFFFAOYSA-N 1 0 224.279 1.110 50 0 BDAARO CCN1CCCC[C@@H]1C[NH2+]Cc1cnc(C)nc1 ZINC000344340148 354235807 /nfs/dbraw/zinc/23/58/07/354235807.db2.gz KZBJJFCSMVTZMT-CQSZACIVSA-N 1 0 248.374 1.749 50 0 BDAARO NC(=[NH2+])NCCc1cccc2ccccc21 ZINC000058185091 181189914 /nfs/dbraw/zinc/18/99/14/181189914.db2.gz VWEJANTYAQGKDJ-UHFFFAOYSA-N 1 0 213.284 1.865 50 0 BDAARO NC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000053278619 181191347 /nfs/dbraw/zinc/19/13/47/181191347.db2.gz OLYSSPOJABEIKK-UHFFFAOYSA-N 1 0 217.194 1.688 50 0 BDAARO NC(=[NH2+])c1ccc(F)c(Br)c1 ZINC000002599219 181195421 /nfs/dbraw/zinc/19/54/21/181195421.db2.gz CYYYJGDZDDWEGS-UHFFFAOYSA-N 1 0 217.041 1.872 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=S)NC(C)C ZINC000035082189 355798101 /nfs/dbraw/zinc/79/81/01/355798101.db2.gz GSZOSBINJZBPNT-SNVBAGLBSA-N 1 0 229.393 1.343 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)C(N)=O ZINC000035138846 355845245 /nfs/dbraw/zinc/84/52/45/355845245.db2.gz CVTKIOHIGNNRSY-JGVFFNPUSA-N 1 0 210.252 1.350 50 0 BDAARO NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000012865338 181231301 /nfs/dbraw/zinc/23/13/01/181231301.db2.gz OWPYERIQHUMUOX-UHFFFAOYSA-N 1 0 218.300 1.351 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000361285448 181271310 /nfs/dbraw/zinc/27/13/10/181271310.db2.gz CTKZHCHATGQJON-MCIONIFRSA-N 1 0 244.338 1.597 50 0 BDAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000006667564 181280358 /nfs/dbraw/zinc/28/03/58/181280358.db2.gz QKDBCVUPRORMPD-LBPRGKRZSA-N 1 0 218.300 1.384 50 0 BDAARO NC(=O)[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000095957853 181277891 /nfs/dbraw/zinc/27/78/91/181277891.db2.gz OXMUDBJAGRZDNY-CYBMUJFWSA-N 1 0 248.326 1.229 50 0 BDAARO OC[C@]1(F)CCC[N@H+](Cc2ccccc2)C1 ZINC000212112923 356649007 /nfs/dbraw/zinc/64/90/07/356649007.db2.gz CJVOLAVABCOJDC-ZDUSSCGKSA-N 1 0 223.291 1.983 50 0 BDAARO C[C@@H](O)[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000095993818 538613171 /nfs/dbraw/zinc/61/31/71/538613171.db2.gz YUTBNTZMHMSKGP-NEPJUHHUSA-N 1 0 227.348 1.384 50 0 BDAARO CN(CC1CCCC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188472951 357555314 /nfs/dbraw/zinc/55/53/14/357555314.db2.gz VIPFPGDNRIJSNQ-WDEREUQCSA-N 1 0 228.311 1.335 50 0 BDAARO COC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC000685943973 538887372 /nfs/dbraw/zinc/88/73/72/538887372.db2.gz RERMJJARGFBWCN-ZCUBBSJVSA-N 1 0 215.318 1.163 50 0 BDAARO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1OCCO1 ZINC000097103343 491125060 /nfs/dbraw/zinc/12/50/60/491125060.db2.gz ABSSMBVWABRUMG-QWRGUYRKSA-N 1 0 213.321 1.870 50 0 BDAARO C[C@H](NC(=O)c1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000521398762 359701864 /nfs/dbraw/zinc/70/18/64/359701864.db2.gz KIIYYEIZGLYRJE-WDEREUQCSA-N 1 0 233.315 1.342 50 0 BDAARO OC[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000005776348 360496498 /nfs/dbraw/zinc/49/64/98/360496498.db2.gz RAZZBNCWCCMMGG-LBPRGKRZSA-N 1 0 231.339 1.858 50 0 BDAARO C[C@@H](CNC(=O)c1ccncc1)[NH+]1CCCC1 ZINC000036077096 360564334 /nfs/dbraw/zinc/56/43/34/360564334.db2.gz CLCJOJLJROOUJH-NSHDSACASA-N 1 0 233.315 1.296 50 0 BDAARO COC(=O)N1CC[NH+](CC(C)(C)C)CC1 ZINC000036125555 360631924 /nfs/dbraw/zinc/63/19/24/360631924.db2.gz KZVRIXYRLOYDCN-UHFFFAOYSA-N 1 0 214.309 1.417 50 0 BDAARO CCCCS(=O)(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000257365982 370689564 /nfs/dbraw/zinc/68/95/64/370689564.db2.gz FAMMSCMQDDMGLN-GHMZBOCLSA-N 1 0 248.392 1.046 50 0 BDAARO [NH3+]C1(C(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000077375735 181329460 /nfs/dbraw/zinc/32/94/60/181329460.db2.gz RQMXMIYCGRUBBD-GUBZILKMSA-N 1 0 208.305 1.173 50 0 BDAARO C[C@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000170091650 361390888 /nfs/dbraw/zinc/39/08/88/361390888.db2.gz PKDCRMJGLIADQR-AAEUAGOBSA-N 1 0 243.347 1.027 50 0 BDAARO [NH3+]CC(=O)N[C@H]1CCCC[C@H]1Oc1ccccc1 ZINC000170046676 361384043 /nfs/dbraw/zinc/38/40/43/361384043.db2.gz QIASGZNIAIKFSX-QWHCGFSZSA-N 1 0 248.326 1.452 50 0 BDAARO [NH3+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000005001288 181343812 /nfs/dbraw/zinc/34/38/12/181343812.db2.gz WFZQUKAHIZQDSF-UHFFFAOYSA-N 1 0 225.336 1.452 50 0 BDAARO [NH3+]C1CCN(Cc2ccccc2F)CC1 ZINC000011729464 181345318 /nfs/dbraw/zinc/34/53/18/181345318.db2.gz BOFKUKJMMWHACT-UHFFFAOYSA-N 1 0 208.280 1.749 50 0 BDAARO [NH3+]CC1CCN(C(=O)c2ccccc2)CC1 ZINC000020182479 181365376 /nfs/dbraw/zinc/36/53/76/181365376.db2.gz RKXTXWBKNWENJV-UHFFFAOYSA-N 1 0 218.300 1.498 50 0 BDAARO [NH3+]CCC1CCN(CC(F)(F)F)CC1 ZINC000042427591 181371232 /nfs/dbraw/zinc/37/12/32/181371232.db2.gz GZKCLURVBYBZFF-UHFFFAOYSA-N 1 0 210.243 1.610 50 0 BDAARO [NH3+]CCCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004838648 181380812 /nfs/dbraw/zinc/38/08/12/181380812.db2.gz WOPJTLDQPWBBJD-UHFFFAOYSA-N 1 0 236.359 1.668 50 0 BDAARO [NH3+]CCCNC(=O)OCc1ccccc1 ZINC000001609670 181382199 /nfs/dbraw/zinc/38/21/99/181382199.db2.gz JXWABCYGGVHAHB-UHFFFAOYSA-N 1 0 208.261 1.262 50 0 BDAARO [NH3+]CCCC1C(=O)NN=C1c1ccccc1 ZINC000034792272 181385546 /nfs/dbraw/zinc/38/55/46/181385546.db2.gz ZAVHCMQHEROZAS-UHFFFAOYSA-N 1 0 217.272 1.674 50 0 BDAARO [NH3+]CCCn1ccc2ccccc2c1=O ZINC000036258592 181389021 /nfs/dbraw/zinc/38/90/21/181389021.db2.gz ZIIGXYHYECHXIR-UHFFFAOYSA-N 1 0 202.257 1.350 50 0 BDAARO [NH3+]CCCn1nc(C(F)(F)F)c2c1CCC2 ZINC000012351631 181389079 /nfs/dbraw/zinc/38/90/79/181389079.db2.gz BXAYVYJFTNNLAZ-UHFFFAOYSA-N 1 0 233.237 1.739 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000019406034 181418525 /nfs/dbraw/zinc/41/85/25/181418525.db2.gz BYKVUFAYHUFLEA-QMMMGPOBSA-N 1 0 201.216 1.075 50 0 BDAARO CCC[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000257365169 541481222 /nfs/dbraw/zinc/48/12/22/541481222.db2.gz UTBIAVQUCWIUAP-QWRGUYRKSA-N 1 0 210.321 1.339 50 0 BDAARO O=C1Nc2cc(Cl)ccc2[C@@]12CC[NH2+]C2 ZINC000211564071 368399553 /nfs/dbraw/zinc/39/95/53/368399553.db2.gz PFOPXMCPUFTBNK-NSHDSACASA-N 1 0 222.675 1.523 50 0 BDAARO CCCSCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000617840309 368887962 /nfs/dbraw/zinc/88/79/62/368887962.db2.gz QQFPPRNRHGPMET-GHMZBOCLSA-N 1 0 244.404 1.729 50 0 BDAARO CC1(C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCO[C@H]21 ZINC000253369773 368939884 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1.310 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000041281844 183121237 /nfs/dbraw/zinc/12/12/37/183121237.db2.gz OWWDTFCURXIZSJ-LBPRGKRZSA-N 1 0 239.290 1.661 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000050113844 183120042 /nfs/dbraw/zinc/12/00/42/183120042.db2.gz GLQSEWFAGIJBQB-ZDUSSCGKSA-N 1 0 205.301 1.686 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000000212167 183120596 /nfs/dbraw/zinc/12/05/96/183120596.db2.gz AMUXNDHKZOOTCQ-NSHDSACASA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccncc1 ZINC000063218130 183106567 /nfs/dbraw/zinc/10/65/67/183106567.db2.gz URPUXCNRUFAOLZ-OAHLLOKOSA-N 1 0 242.322 1.775 50 0 BDAARO OC[C@@H]1Cc2c3ccccc3[nH]c2C[NH2+]1 ZINC000039628269 183130803 /nfs/dbraw/zinc/13/08/03/183130803.db2.gz SLRQJRPWAKPLJN-QMMMGPOBSA-N 1 0 202.257 1.175 50 0 BDAARO CCCC[C@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 ZINC000055502007 169016710 /nfs/dbraw/zinc/01/67/10/169016710.db2.gz IQFCOMPTRVPQIV-QWRGUYRKSA-N 1 0 228.361 1.440 50 0 biogenic BDAARO OC[C@H]1CCCCN1CC[NH2+]C1CCCC1 ZINC000065396103 183148277 /nfs/dbraw/zinc/14/82/77/183148277.db2.gz WZKKVDSCNWIRCX-CYBMUJFWSA-N 1 0 226.364 1.365 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000095428305 183150100 /nfs/dbraw/zinc/15/01/00/183150100.db2.gz QQUURVGEBUAIAW-NSHDSACASA-N 1 0 249.310 1.620 50 0 BDAARO OCc1ccc(C[NH2+][C@H]2CCCSC2)o1 ZINC000079014948 183165422 /nfs/dbraw/zinc/16/54/22/183165422.db2.gz OCCLUXVZGSTFPH-VIFPVBQESA-N 1 0 227.329 1.757 50 0 BDAARO O[C@@H](C[NH2+]Cc1ccccn1)c1ccccc1 ZINC000013140307 183180897 /nfs/dbraw/zinc/18/08/97/183180897.db2.gz GGLNJIYDKMKAMP-AWEZNQCLSA-N 1 0 228.295 1.905 50 0 BDAARO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000163970142 183181013 /nfs/dbraw/zinc/18/10/13/183181013.db2.gz YLSIFOSJOWRYNU-ZJUUUORDSA-N 1 0 227.329 1.798 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH+]1CCN(C2CCC2)CC1 ZINC000309982561 183231817 /nfs/dbraw/zinc/23/18/17/183231817.db2.gz GVMGTTQVGPMPSI-KBPBESRZSA-N 1 0 238.375 1.460 50 0 BDAARO O[C@@H]1[C@@H]2CC[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000037263079 183213373 /nfs/dbraw/zinc/21/33/73/183213373.db2.gz GRNDIXAFZQOWOE-JHJVBQTASA-N 1 0 203.285 1.642 50 0 BDAARO c1c[nH]c(C[NH2+]C[C@@H]2CCCn3ccnc32)n1 ZINC000089884758 183324315 /nfs/dbraw/zinc/32/43/15/183324315.db2.gz ICQFVLKTYBAQCK-JTQLQIEISA-N 1 0 231.303 1.273 50 0 BDAARO CCC[NH+]1CCN(C(=O)OCC)CC1 ZINC000000394416 169201894 /nfs/dbraw/zinc/20/18/94/169201894.db2.gz XAOKKTRGZIWQNP-UHFFFAOYSA-N 1 0 200.282 1.171 50 0 BDAARO CCC[NH+]1CCN([C@H](C)c2nc(C)no2)CC1 ZINC000032761065 169203812 /nfs/dbraw/zinc/20/38/12/169203812.db2.gz UETDDYYYQVZLCQ-SNVBAGLBSA-N 1 0 238.335 1.467 50 0 BDAARO S=C(NCC1CC[NH2+]CC1)Nc1ccccc1 ZINC000019808700 183311751 /nfs/dbraw/zinc/31/17/51/183311751.db2.gz FILKYFZXTDXVHN-UHFFFAOYSA-N 1 0 249.383 1.973 50 0 BDAARO c1cc(CC[N@@H+]2CCc3cncnc3C2)ccn1 ZINC000069518310 183338281 /nfs/dbraw/zinc/33/82/81/183338281.db2.gz OMJMHJLJYHFEER-UHFFFAOYSA-N 1 0 240.310 1.472 50 0 BDAARO c1cc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000225524134 183358689 /nfs/dbraw/zinc/35/86/89/183358689.db2.gz RCIBHRKRKUESEN-ULKQDVFKSA-N 1 0 205.261 1.138 50 0 BDAARO CCC[NH2+]C[C@@H](O)CNc1ccc(C)cc1 ZINC000003636239 169262481 /nfs/dbraw/zinc/26/24/81/169262481.db2.gz LRKHSSWFQRVLEO-CYBMUJFWSA-N 1 0 222.332 1.767 50 0 BDAARO c1ccc(-c2n[nH]c([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000042013514 183381830 /nfs/dbraw/zinc/38/18/30/183381830.db2.gz YZRMJEUPVCOVSO-LLVKDONJSA-N 1 0 228.299 1.939 50 0 BDAARO c1ccc(-c2noc(C3CC[NH2+]CC3)n2)nc1 ZINC000019990272 183384835 /nfs/dbraw/zinc/38/48/35/183384835.db2.gz YXLLZKWXHDUTGM-UHFFFAOYSA-N 1 0 230.271 1.599 50 0 BDAARO c1ccc(CC[NH2+]Cc2ccncc2)nc1 ZINC000019916479 183393235 /nfs/dbraw/zinc/39/32/35/183393235.db2.gz JJBMPBSXJSQCMQ-UHFFFAOYSA-N 1 0 213.284 1.809 50 0 BDAARO c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000028707598 183402848 /nfs/dbraw/zinc/40/28/48/183402848.db2.gz QXMPIEOTDBYZDL-BETUJISGSA-N 1 0 202.301 1.623 50 0 in-vitro BDAARO c1ccc(OCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000002696392 183420814 /nfs/dbraw/zinc/42/08/14/183420814.db2.gz KQESXQMPXOHCCM-CYBMUJFWSA-N 1 0 221.300 1.834 50 0 BDAARO CCCS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000097163489 169329430 /nfs/dbraw/zinc/32/94/30/169329430.db2.gz OPTPWZGLQVRZQX-NWDGAFQWSA-N 1 0 247.404 1.980 50 0 BDAARO CCCSCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067678642 169337148 /nfs/dbraw/zinc/33/71/48/169337148.db2.gz KVTQSCFTOQPAHP-LLVKDONJSA-N 1 0 244.404 1.588 50 0 BDAARO c1csc(Cc2noc(C3C[NH2+]C3)n2)c1 ZINC000074934412 183520140 /nfs/dbraw/zinc/52/01/40/183520140.db2.gz BRBDDAUIIDUGTP-UHFFFAOYSA-N 1 0 221.285 1.409 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@]1(C)C[NH3+] ZINC000082370852 166648263 /nfs/dbraw/zinc/64/82/63/166648263.db2.gz KTQQDWACAUDUJC-LLVKDONJSA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000082092311 166665244 /nfs/dbraw/zinc/66/52/44/166665244.db2.gz XMYGQAXKEOMNDO-GARJFASQSA-N 1 0 240.347 1.899 50 0 BDAARO C[C@H]1c2ccccc2CN1CC1=[NH+]CCN1 ZINC000000004850 383817846 /nfs/dbraw/zinc/81/78/46/383817846.db2.gz SGOFAUSEYBZKDQ-JTQLQIEISA-N 1 0 215.300 1.565 50 0 in-vivo BDAARO C[NH2+][C@@H](C)Cc1cc2c(cc1O)OCO2 ZINC000000057352 383821911 /nfs/dbraw/zinc/82/19/11/383821911.db2.gz RQQIIXFYTHWFKW-ZETCQYMHSA-N 1 0 209.245 1.271 50 0 BDAARO O=CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000000278301 383851209 /nfs/dbraw/zinc/85/12/09/383851209.db2.gz AQYCGZXKOURRLC-UHFFFAOYSA-N 1 0 232.327 1.393 50 0 BDAARO C[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000000818596 383880671 /nfs/dbraw/zinc/88/06/71/383880671.db2.gz JQSWRIGANADNJD-UHFFFAOYSA-N 1 0 204.317 1.870 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000158408490 383923456 /nfs/dbraw/zinc/92/34/56/383923456.db2.gz WGDKAKVWPOYGSF-ZJUUUORDSA-N 1 0 230.377 1.373 50 0 BDAARO COC(=O)c1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000088248444 383893390 /nfs/dbraw/zinc/89/33/90/383893390.db2.gz GIXMMLOQDKRPNW-UHFFFAOYSA-N 1 0 247.294 1.656 50 0 BDAARO C[C@H](NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000068590659 384001873 /nfs/dbraw/zinc/00/18/73/384001873.db2.gz SJSHDLFGAZOKEL-LBPRGKRZSA-N 1 0 234.343 1.845 50 0 BDAARO [NH3+]CCc1cccc(Br)c1 ZINC000002574307 383979167 /nfs/dbraw/zinc/97/91/67/383979167.db2.gz ORHRHMLEFQBHND-UHFFFAOYSA-N 1 0 200.079 1.950 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000050246292 383986644 /nfs/dbraw/zinc/98/66/44/383986644.db2.gz HJPZXWJJSAPIKM-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO Cc1ccc(C)c(OCCCNC(N)=[NH2+])c1 ZINC000071523436 383996524 /nfs/dbraw/zinc/99/65/24/383996524.db2.gz DDINKDSPKATSPD-UHFFFAOYSA-N 1 0 221.304 1.555 50 0 BDAARO [NH3+]Cc1nncn1-c1cccc2ccccc21 ZINC000067842425 383949337 /nfs/dbraw/zinc/94/93/37/383949337.db2.gz UVQQVVTWHHEFDZ-UHFFFAOYSA-N 1 0 224.267 1.879 50 0 BDAARO CN1C[C@@H](CC[N@H+](C)Cc2ccccc2)OC1=O ZINC000071773741 384000384 /nfs/dbraw/zinc/00/03/84/384000384.db2.gz QRWNPOPBULVTFS-CYBMUJFWSA-N 1 0 248.326 1.959 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)[C@H]1C ZINC000269222950 383954234 /nfs/dbraw/zinc/95/42/34/383954234.db2.gz BUXCMGQFLAVFFM-MBNYWOFBSA-N 1 0 246.354 1.986 50 0 BDAARO [NH3+]Cc1nncn1-c1ccccc1C(F)(F)F ZINC000067895406 383955598 /nfs/dbraw/zinc/95/55/98/383955598.db2.gz DJIHPNKALVKOMU-UHFFFAOYSA-N 1 0 242.204 1.745 50 0 BDAARO [NH3+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000002554006 383974305 /nfs/dbraw/zinc/97/43/05/383974305.db2.gz MQEFMQWFYUHRQY-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 BDAARO [NH3+]CCc1c(=O)o[nH]c1-c1ccccc1 ZINC000004235047 384050419 /nfs/dbraw/zinc/05/04/19/384050419.db2.gz VEGIRZSHPCPZAD-UHFFFAOYSA-N 1 0 204.229 1.136 50 0 BDAARO COC(=O)[C@H](C)N1CCc2sccc2C1 ZINC000050499367 384065711 /nfs/dbraw/zinc/06/57/11/384065711.db2.gz WGGKJHDWUCHACR-QMMMGPOBSA-N 1 0 225.313 1.668 50 0 BDAARO C[C@@H]([NH3+])C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000091304352 384118910 /nfs/dbraw/zinc/11/89/10/384118910.db2.gz IPJFQICBBQIQRT-SECBINFHSA-N 1 0 244.335 1.096 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)CCC[NH3+] ZINC000004992776 384094604 /nfs/dbraw/zinc/09/46/04/384094604.db2.gz IUDKNELYOVLCFB-SNVBAGLBSA-N 1 0 218.300 1.703 50 0 BDAARO CC(=O)c1cnc(NCC[NH+]2CCCC2)nc1C ZINC000091644637 384136356 /nfs/dbraw/zinc/13/63/56/384136356.db2.gz VLMHCICEFSAIOJ-UHFFFAOYSA-N 1 0 248.330 1.495 50 0 BDAARO Cc1nnc(N2C[C@H]([NH3+])[C@@H](C(C)C)C2)s1 ZINC000091625425 384136572 /nfs/dbraw/zinc/13/65/72/384136572.db2.gz NKVUOYGZXYNWTR-BDAKNGLRSA-N 1 0 226.349 1.266 50 0 BDAARO O=C1CC[N@@H+](C2CCCCC2)CCOCCN1 ZINC000257194343 384131852 /nfs/dbraw/zinc/13/18/52/384131852.db2.gz TWPNHSMORHLXFD-UHFFFAOYSA-N 1 0 240.347 1.158 50 0 BDAARO C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000006036489 384142429 /nfs/dbraw/zinc/14/24/29/384142429.db2.gz IDARAQGFZJPPNW-SECBINFHSA-N 1 0 207.273 1.956 50 0 BDAARO C[N@H+](CCN1CCOCC1)[C@H]1C=CCCC1 ZINC000071904892 384145847 /nfs/dbraw/zinc/14/58/47/384145847.db2.gz VOHRUOHQSRRFLT-ZDUSSCGKSA-N 1 0 224.348 1.359 50 0 BDAARO [NH3+]Cc1cccc(COC2CCOCC2)c1 ZINC000040992389 384170551 /nfs/dbraw/zinc/17/05/51/384170551.db2.gz XMGKBBLWNLWJFF-UHFFFAOYSA-N 1 0 221.300 1.841 50 0 BDAARO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[NH2+]1 ZINC000071790828 384179468 /nfs/dbraw/zinc/17/94/68/384179468.db2.gz DWPWUTVKBYXVLI-MNOVXSKESA-N 1 0 211.305 1.718 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH2+]C2 ZINC000072267057 384203587 /nfs/dbraw/zinc/20/35/87/384203587.db2.gz CSQBUSQTOWHXLW-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(F)cc1F ZINC000135234459 384189277 /nfs/dbraw/zinc/18/92/77/384189277.db2.gz OLTDREHJJZYIGG-MRVPVSSYSA-N 1 0 242.269 1.313 50 0 BDAARO [NH3+][C@@H](CO)c1c(F)cccc1C(F)(F)F ZINC000072198440 384200186 /nfs/dbraw/zinc/20/01/86/384200186.db2.gz YFEKUBJIKOECBB-ZETCQYMHSA-N 1 0 223.169 1.837 50 0 BDAARO C[C@@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208673 384200527 /nfs/dbraw/zinc/20/05/27/384200527.db2.gz FQUVAASUKJSNRV-SECBINFHSA-N 1 0 228.336 1.981 50 0 BDAARO c1nc2c([nH]1)[C@H](c1cccnc1)[NH2+]CC2 ZINC000008733267 384213952 /nfs/dbraw/zinc/21/39/52/384213952.db2.gz GBMWJSLSINTZJI-JTQLQIEISA-N 1 0 200.245 1.040 50 0 biogenic BDAARO c1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC000042775886 384242954 /nfs/dbraw/zinc/24/29/54/384242954.db2.gz BPGICBLCBBOZHF-LBPRGKRZSA-N 1 0 207.273 1.444 50 0 BDAARO C[NH+](C)CCCNc1cncc(Cl)n1 ZINC000042784004 384244116 /nfs/dbraw/zinc/24/41/16/384244116.db2.gz CHQUXWAWBOQEET-UHFFFAOYSA-N 1 0 214.700 1.494 50 0 BDAARO c1ncc(CN2CCCC3(C2)OCCO3)s1 ZINC000097050152 384309387 /nfs/dbraw/zinc/30/93/87/384309387.db2.gz MWANNVUTIOHZSI-UHFFFAOYSA-N 1 0 240.328 1.482 50 0 BDAARO C[C@@H]1[C@H](O)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335376010 384282641 /nfs/dbraw/zinc/28/26/41/384282641.db2.gz QEUARENZXVLZLC-PSASIEDQSA-N 1 0 219.275 1.877 50 0 BDAARO C[C@H](CN(C)C(=O)CCC[NH3+])c1ccccc1 ZINC000097019129 384282871 /nfs/dbraw/zinc/28/28/71/384282871.db2.gz VOXJKRWPBGGXEK-GFCCVEGCSA-N 1 0 234.343 1.987 50 0 BDAARO C[C@H]1[C@H](O)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335376018 384282955 /nfs/dbraw/zinc/28/29/55/384282955.db2.gz QEUARENZXVLZLC-WCBMZHEXSA-N 1 0 219.275 1.877 50 0 BDAARO COCC[C@@H](C)OC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525581 384289754 /nfs/dbraw/zinc/28/97/54/384289754.db2.gz FFTRIEHDSZEOHF-NEPJUHHUSA-N 1 0 245.363 1.966 50 0 BDAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(N)=O ZINC000078516436 384293735 /nfs/dbraw/zinc/29/37/35/384293735.db2.gz RGYMAUIWAGBNCR-MFKMUULPSA-N 1 0 232.327 1.991 50 0 BDAARO Cc1ccc(S(=O)(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000011897065 384301600 /nfs/dbraw/zinc/30/16/00/384301600.db2.gz QLXVGHPFBMCPPT-LLVKDONJSA-N 1 0 239.340 1.521 50 0 BDAARO CC(C)(O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000330363802 384366119 /nfs/dbraw/zinc/36/61/19/384366119.db2.gz SYQINLKWSWSNKO-VIFPVBQESA-N 1 0 215.318 1.142 50 0 BDAARO Cn1cccc1C[N@@H+]1CCCSCC1 ZINC000097113615 384369447 /nfs/dbraw/zinc/36/94/47/384369447.db2.gz SUDPEAHHJZXUGD-UHFFFAOYSA-N 1 0 210.346 1.964 50 0 BDAARO [NH3+]CCc1ccc(Br)cn1 ZINC000044397896 384331320 /nfs/dbraw/zinc/33/13/20/384331320.db2.gz YSONVYGWEROTBG-UHFFFAOYSA-N 1 0 201.067 1.345 50 0 BDAARO c1cnc2c(c1)cccc2O[C@H]1CC[NH2+]C1 ZINC000014632274 384398779 /nfs/dbraw/zinc/39/87/79/384398779.db2.gz OYPNCTYUXIJFQM-NSHDSACASA-N 1 0 214.268 1.976 50 0 BDAARO O=c1c2ccccc2cc2n1CCC[NH2+]2 ZINC000101367869 384402226 /nfs/dbraw/zinc/40/22/26/384402226.db2.gz ASBUAHYVDXOORR-UHFFFAOYSA-N 1 0 200.241 1.817 50 0 BDAARO COCc1n[nH]c([C@@H]([NH3+])Cc2ccccc2)n1 ZINC000095534877 384379711 /nfs/dbraw/zinc/37/97/11/384379711.db2.gz GTFRPSQKSYZOBR-JTQLQIEISA-N 1 0 232.287 1.194 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC(C[NH3+])C[C@@H]2C1 ZINC000076685768 384382152 /nfs/dbraw/zinc/38/21/52/384382152.db2.gz RJVLJEBUNGKANQ-GHMZBOCLSA-N 1 0 240.347 1.838 50 0 BDAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccn1 ZINC000134810346 384388856 /nfs/dbraw/zinc/38/88/56/384388856.db2.gz QFBSOTRQZWGDSB-GRYCIOLGSA-N 1 0 218.300 1.669 50 0 BDAARO Nc1ncnc2c1cnn2-c1ccc(F)cc1 ZINC000015442888 384432305 /nfs/dbraw/zinc/43/23/05/384432305.db2.gz PZZKDYDIWPATJF-UHFFFAOYSA-N 1 0 229.218 1.537 50 0 BDAARO CCCC[N@H+](C)Cc1cn2cccnc2n1 ZINC000078241804 384434414 /nfs/dbraw/zinc/43/44/14/384434414.db2.gz MXKZLOLBYGJJDB-UHFFFAOYSA-N 1 0 218.304 1.961 50 0 BDAARO C[NH2+][C@H]1CCCN(CCc2ccccc2OC)C1 ZINC000019735490 384535096 /nfs/dbraw/zinc/53/50/96/384535096.db2.gz QZWNATGKKLVYRO-AWEZNQCLSA-N 1 0 248.370 1.922 50 0 BDAARO [NH3+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000019735737 384535473 /nfs/dbraw/zinc/53/54/73/384535473.db2.gz JYYRNJZYOMUQSA-VIFPVBQESA-N 1 0 212.318 1.080 50 0 BDAARO [NH3+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000019261426 384513973 /nfs/dbraw/zinc/51/39/73/384513973.db2.gz OJHPTRVTZGOWAO-GFCCVEGCSA-N 1 0 240.734 1.672 50 0 in-vivo BDAARO CCOCCOCc1cccc(C[NH3+])c1 ZINC000019390100 384519688 /nfs/dbraw/zinc/51/96/88/384519688.db2.gz UMFOCJNRSNMLGY-UHFFFAOYSA-N 1 0 209.289 1.698 50 0 BDAARO CC[C@H]1C(=O)NCC[N@@H+]1[C@H]1C=CCCC1 ZINC000098012636 384525948 /nfs/dbraw/zinc/52/59/48/384525948.db2.gz LGZHNVXTDDNRHF-QWRGUYRKSA-N 1 0 208.305 1.306 50 0 BDAARO [NH3+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000019518546 384529263 /nfs/dbraw/zinc/52/92/63/384529263.db2.gz YNVGFONMHWYVLE-LURJTMIESA-N 1 0 236.098 1.692 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000082685194 384546308 /nfs/dbraw/zinc/54/63/08/384546308.db2.gz INHZSMMPGDEBDC-GFCCVEGCSA-N 1 0 211.280 1.932 50 0 BDAARO [NH3+]C[C@@H]1CCCN1CCc1ccccc1 ZINC000019843295 384546772 /nfs/dbraw/zinc/54/67/72/384546772.db2.gz BUUPCNSSZPMOOR-ZDUSSCGKSA-N 1 0 204.317 1.652 50 0 BDAARO CN(C)CC[NH2+]CCCCOc1ccccc1 ZINC000020418794 384617323 /nfs/dbraw/zinc/61/73/23/384617323.db2.gz PASGKXZLACPVOR-UHFFFAOYSA-N 1 0 236.359 1.997 50 0 BDAARO [NH3+]Cc1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000058021798 384621810 /nfs/dbraw/zinc/62/18/10/384621810.db2.gz FKRQSMJKNPRJNC-UHFFFAOYSA-N 1 0 243.245 1.389 50 0 BDAARO CC(C)(C[NH3+])C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000051087054 384624091 /nfs/dbraw/zinc/62/40/91/384624091.db2.gz ZRUSXKUOWNOTQE-LLVKDONJSA-N 1 0 248.326 1.091 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000021958472 384709914 /nfs/dbraw/zinc/70/99/14/384709914.db2.gz CIRAABQZDSQPHA-LLVKDONJSA-N 1 0 220.272 1.263 50 0 BDAARO [NH3+]CCOc1ccc(F)cc1Br ZINC000011945972 384727804 /nfs/dbraw/zinc/72/78/04/384727804.db2.gz ZMIGHQMJEWSNBB-UHFFFAOYSA-N 1 0 234.068 1.926 50 0 BDAARO Cc1cc(C)n(-c2ccc(C[NH3+])cn2)n1 ZINC000022210535 384743588 /nfs/dbraw/zinc/74/35/88/384743588.db2.gz XGHDHYFXORRTKU-UHFFFAOYSA-N 1 0 202.261 1.343 50 0 BDAARO Cc1ccc([C@H](O)C[NH2+]C2CCN(C)CC2)cc1 ZINC000084148703 384758728 /nfs/dbraw/zinc/75/87/28/384758728.db2.gz QDJXNFMVIOKPHV-OAHLLOKOSA-N 1 0 248.370 1.712 50 0 BDAARO Cc1cc(C)c[n+](-c2c(C=O)sc(=O)n2C)c1 ZINC000000495257 384763256 /nfs/dbraw/zinc/76/32/56/384763256.db2.gz GSEVIEPEXGSXLD-UHFFFAOYSA-N 1 0 249.315 1.153 50 0 BDAARO CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1(C)C ZINC000085381292 384767790 /nfs/dbraw/zinc/76/77/90/384767790.db2.gz BIRWEGLMFVJYDE-MNOVXSKESA-N 1 0 242.363 1.304 50 0 BDAARO Cc1noc(C)c1C[NH2+]CCn1cccn1 ZINC000069924321 384830042 /nfs/dbraw/zinc/83/00/42/384830042.db2.gz JTYCVCAVAMJSGC-UHFFFAOYSA-N 1 0 220.276 1.278 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088059059 384783690 /nfs/dbraw/zinc/78/36/90/384783690.db2.gz HDLOIYHQZXFBRS-LBPRGKRZSA-N 1 0 232.327 1.737 50 0 BDAARO Cn1cnnc1SC1CCC([NH3+])CC1 ZINC000055143741 384873185 /nfs/dbraw/zinc/87/31/85/384873185.db2.gz MJTPZAOWSDZJFS-UHFFFAOYSA-N 1 0 212.322 1.177 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@H]([NH3+])C1 ZINC000026896552 384887896 /nfs/dbraw/zinc/88/78/96/384887896.db2.gz WXWILWLHHQGUCX-VIFPVBQESA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2([NH3+])C[C@H]2C1 ZINC000084239273 384852178 /nfs/dbraw/zinc/85/21/78/384852178.db2.gz PKPGACTWHRGJHO-GZMMTYOYSA-N 1 0 212.293 1.345 50 0 BDAARO c1ccc2[nH]c(SC3C[NH2+]C3)nc2c1 ZINC000054931758 384861473 /nfs/dbraw/zinc/86/14/73/384861473.db2.gz BVCDQWFBZXOVPL-UHFFFAOYSA-N 1 0 205.286 1.627 50 0 BDAARO CCOCc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000058329440 384996084 /nfs/dbraw/zinc/99/60/84/384996084.db2.gz SPVVRJKGDVHUCC-UHFFFAOYSA-N 1 0 247.342 1.662 50 0 BDAARO CCCCNC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000086229829 384997295 /nfs/dbraw/zinc/99/72/95/384997295.db2.gz OPJYTHMLEBRDOX-JTQLQIEISA-N 1 0 214.309 1.655 50 0 BDAARO CN(C)c1nnc(SCC[NH+](C)C)s1 ZINC000108666054 385059606 /nfs/dbraw/zinc/05/96/06/385059606.db2.gz BUYYFMUPOHPYNW-UHFFFAOYSA-N 1 0 232.378 1.258 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000060394248 385084917 /nfs/dbraw/zinc/08/49/17/385084917.db2.gz HGRDDBPZHZEGNY-IUCAKERBSA-N 1 0 214.309 1.639 50 0 BDAARO CCc1ccccc1C[NH2+][C@@](C)(CC)C(N)=O ZINC000189202566 385130903 /nfs/dbraw/zinc/13/09/03/385130903.db2.gz IPTOWXFUBBBUHF-AWEZNQCLSA-N 1 0 234.343 1.993 50 0 BDAARO Cc1ccc(CC[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000095430700 385099326 /nfs/dbraw/zinc/09/93/26/385099326.db2.gz GTXCAYCQDFHSFX-CQSZACIVSA-N 1 0 219.328 1.852 50 0 BDAARO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106791661 385185123 /nfs/dbraw/zinc/18/51/23/385185123.db2.gz GPDBGZGOZCANGZ-RYUDHWBXSA-N 1 0 242.363 1.089 50 0 BDAARO c1cncc(-c2noc([C@H]3CC[NH2+]C3)n2)c1 ZINC000062119519 385159967 /nfs/dbraw/zinc/15/99/67/385159967.db2.gz URJSSYVXMNJDTO-VIFPVBQESA-N 1 0 216.244 1.209 50 0 BDAARO CC(C)c1cccc2c1OCC[C@@H]([NH3+])[C@@H]2O ZINC000062610697 385244652 /nfs/dbraw/zinc/24/46/52/385244652.db2.gz HWSLSDIQOFADNF-VXGBXAGGSA-N 1 0 221.300 1.953 50 0 BDAARO CC1(C)CC(n2cnnc2)CC(C)(C)[NH2+]1 ZINC000065406705 385307133 /nfs/dbraw/zinc/30/71/33/385307133.db2.gz GPCJADRPYIOFJR-UHFFFAOYSA-N 1 0 208.309 1.760 50 0 BDAARO C[C@H](CCN(C)Cc1ncc[nH]1)[NH+]1CCCC1 ZINC000065417257 385309580 /nfs/dbraw/zinc/30/95/80/385309580.db2.gz KXKVQOTXEDMKCF-GFCCVEGCSA-N 1 0 236.363 1.716 50 0 BDAARO CC[C@@H]([NH2+]C(CO)CO)c1ccc(F)cc1 ZINC000065466533 385314469 /nfs/dbraw/zinc/31/44/69/385314469.db2.gz NOEFPSHYXVVJQS-GFCCVEGCSA-N 1 0 227.279 1.220 50 0 BDAARO CN(C)c1cc(NCCc2ccccn2)ncn1 ZINC000065525677 385320490 /nfs/dbraw/zinc/32/04/90/385320490.db2.gz KOPKWRWLBGWSSL-UHFFFAOYSA-N 1 0 243.314 1.592 50 0 BDAARO C[NH+](C)CCn1ccc2ccc(N)cc21 ZINC000034455428 385281142 /nfs/dbraw/zinc/28/11/42/385281142.db2.gz NMLMAJOVSWGCQS-UHFFFAOYSA-N 1 0 203.289 1.785 50 0 BDAARO FC(F)(F)C1CC([NH2+]Cc2ncc[nH]2)C1 ZINC000308931902 385301491 /nfs/dbraw/zinc/30/14/91/385301491.db2.gz MMBVCWJNWUJILZ-UHFFFAOYSA-N 1 0 219.210 1.840 50 0 BDAARO COCC[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000169676810 385417616 /nfs/dbraw/zinc/41/76/16/385417616.db2.gz AYHLJFUMSLWNSA-NSHDSACASA-N 1 0 213.321 1.572 50 0 BDAARO COc1cc(C[NH2+][C@@H]2C[C@H]2C)cc2c1OCCO2 ZINC000052274884 385719431 /nfs/dbraw/zinc/71/94/31/385719431.db2.gz PSZOHWXEDDZGHC-MWLCHTKSSA-N 1 0 249.310 1.964 50 0 BDAARO Cc1ccc([C@H](O)C[N@H+](CCO)C2CC2)cc1C ZINC000063504017 385722343 /nfs/dbraw/zinc/72/23/43/385722343.db2.gz KWYXBQBUJXTZDM-OAHLLOKOSA-N 1 0 249.354 1.794 50 0 BDAARO c1ccc(C[C@@H]2C[N@@H+]3CCC[C@@H]3CN2)cc1 ZINC000022028519 385888434 /nfs/dbraw/zinc/88/84/34/385888434.db2.gz FMZYVYGAYTZOHQ-ZIAGYGMSSA-N 1 0 216.328 1.665 50 0 BDAARO CCSCC[C@H](C)N(C)C(=O)[C@@H](C)[NH3+] ZINC000121643840 385861012 /nfs/dbraw/zinc/86/10/12/385861012.db2.gz MCLMRJIDUQYFBT-DTWKUNHWSA-N 1 0 218.366 1.324 50 0 BDAARO Cc1nc(CC[N@H+](C)CCCn2ccnc2)no1 ZINC000271927559 385861802 /nfs/dbraw/zinc/86/18/02/385861802.db2.gz LMKVSRMIELBIDN-UHFFFAOYSA-N 1 0 249.318 1.139 50 0 BDAARO CC(C)COC(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@H]21 ZINC000216241551 385864622 /nfs/dbraw/zinc/86/46/22/385864622.db2.gz RYIGOQFWMTVKTB-GMTAPVOTSA-N 1 0 226.320 1.461 50 0 BDAARO CC(C)C[C@@H]([NH2+]C(CO)CO)c1cccs1 ZINC000095968600 385882146 /nfs/dbraw/zinc/88/21/46/385882146.db2.gz DXAQDNCTFWJWTO-LLVKDONJSA-N 1 0 243.372 1.778 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000162509815 386105121 /nfs/dbraw/zinc/10/51/21/386105121.db2.gz LMCOQMMIAHCCFN-JGVFFNPUSA-N 1 0 214.309 1.637 50 0 BDAARO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000225396926 386190633 /nfs/dbraw/zinc/19/06/33/386190633.db2.gz JESCDOWVVZVPIT-OLZOCXBDSA-N 1 0 249.310 1.824 50 0 BDAARO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000225448934 386193531 /nfs/dbraw/zinc/19/35/31/386193531.db2.gz CVRRCKSRMNPDFG-RYUDHWBXSA-N 1 0 240.347 1.108 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccncc1 ZINC000063193435 386368194 /nfs/dbraw/zinc/36/81/94/386368194.db2.gz UOUPBGCZAGQZKH-ZYHUDNBSSA-N 1 0 233.315 1.424 50 0 BDAARO Cc1c[nH+]ccc1N1CCN([C@H]2CCOC2)CC1 ZINC000366430094 386482730 /nfs/dbraw/zinc/48/27/30/386482730.db2.gz MMTNHTOWPLMQJK-ZDUSSCGKSA-N 1 0 247.342 1.301 50 0 BDAARO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000004725575 386574191 /nfs/dbraw/zinc/57/41/91/386574191.db2.gz PJQBQLWAAJNUTO-LLVKDONJSA-N 1 0 232.327 1.863 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000241961259 386546606 /nfs/dbraw/zinc/54/66/06/386546606.db2.gz UQRQOBJXQARBAA-AXFHLTTASA-N 1 0 229.320 1.173 50 0 BDAARO CC(C)[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000585123508 386678530 /nfs/dbraw/zinc/67/85/30/386678530.db2.gz JBWZMVUWRSACOI-RWMBFGLXSA-N 1 0 227.348 1.098 50 0 BDAARO NC(=O)[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000186569560 387002871 /nfs/dbraw/zinc/00/28/71/387002871.db2.gz MVJFOOQHPWZLKM-AWEZNQCLSA-N 1 0 246.354 1.959 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1C1CC1 ZINC000095642331 387226985 /nfs/dbraw/zinc/22/69/85/387226985.db2.gz WRKIMEBHYLJNGY-SNVBAGLBSA-N 1 0 226.320 1.605 50 0 BDAARO c1cncc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780350 387251137 /nfs/dbraw/zinc/25/11/37/387251137.db2.gz XPFNRRRGXGJZNX-UHFFFAOYSA-N 1 0 230.271 1.599 50 0 BDAARO c1ccc(N2CCC[N@@H+]([C@@H]3CCOC3)CC2)cc1 ZINC000336558927 387382724 /nfs/dbraw/zinc/38/27/24/387382724.db2.gz AFRYREKFGHPYIR-OAHLLOKOSA-N 1 0 246.354 1.988 50 0 BDAARO Clc1cccnc1OC1CC[NH2+]CC1 ZINC000051865476 387437513 /nfs/dbraw/zinc/43/75/13/387437513.db2.gz WUYWQIOJZVVCMN-UHFFFAOYSA-N 1 0 212.680 1.866 50 0 BDAARO CCOCc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000072547760 387439931 /nfs/dbraw/zinc/43/99/31/387439931.db2.gz GCPVXUJVPXQWDG-ZDUSSCGKSA-N 1 0 248.326 1.914 50 0 BDAARO Cc1cscc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000086816288 387453547 /nfs/dbraw/zinc/45/35/47/387453547.db2.gz SFTSWWWXQSCAOY-VIFPVBQESA-N 1 0 224.329 1.538 50 0 BDAARO Cc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000191482885 387458102 /nfs/dbraw/zinc/45/81/02/387458102.db2.gz LSZCJFXLQUIXGB-UHFFFAOYSA-N 1 0 204.273 1.103 50 0 BDAARO FC(F)(F)c1ncc2c(n1)C[NH2+]CC2 ZINC000026894634 387603994 /nfs/dbraw/zinc/60/39/94/387603994.db2.gz OOHUOYPEBUGEJR-UHFFFAOYSA-N 1 0 203.167 1.141 50 0 BDAARO C[C@@]1(c2ccccc2)[NH2+]CCc2nc[nH]c21 ZINC000075285984 387555440 /nfs/dbraw/zinc/55/54/40/387555440.db2.gz MTHIAFNXJHNUGN-ZDUSSCGKSA-N 1 0 213.284 1.819 50 0 BDAARO Cc1nnc(C[N@H+]2C[C@H](C)C[C@H](C)C2)o1 ZINC000048343661 387779387 /nfs/dbraw/zinc/77/93/87/387779387.db2.gz CXMDNISBVQOHSM-DTORHVGOSA-N 1 0 209.293 1.856 50 0 BDAARO CCc1c(C)n(O)c2c([n+]1=O)CCCC2 ZINC000135935552 387827971 /nfs/dbraw/zinc/82/79/71/387827971.db2.gz KFWGFGYQMQGINW-UHFFFAOYSA-N 1 0 209.269 1.390 50 0 BDAARO CCCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 ZINC000055158115 387830853 /nfs/dbraw/zinc/83/08/53/387830853.db2.gz YCUZPMGVUVYLFU-NWDGAFQWSA-N 1 0 242.388 1.830 50 0 biogenic BDAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000082370872 387854861 /nfs/dbraw/zinc/85/48/61/387854861.db2.gz DLQDCEVLPYUFGY-QMMMGPOBSA-N 1 0 214.309 1.591 50 0 BDAARO CC[N@H+](C)CCNC(=O)c1scnc1C ZINC000065440343 387932470 /nfs/dbraw/zinc/93/24/70/387932470.db2.gz NMTKDPLVGHPDBU-UHFFFAOYSA-N 1 0 227.333 1.133 50 0 BDAARO CN(CCNC1=[NH+]CCCN1)c1ccccc1 ZINC000065503443 388035740 /nfs/dbraw/zinc/03/57/40/388035740.db2.gz IOKXLDQFYOHOPP-UHFFFAOYSA-N 1 0 232.331 1.062 50 0 BDAARO CC[N@H+](CC(N)=O)[C@H](C)c1cccc(OC)c1 ZINC000071793095 388114262 /nfs/dbraw/zinc/11/42/62/388114262.db2.gz ZDKJMUIZUSESQW-SNVBAGLBSA-N 1 0 236.315 1.563 50 0 BDAARO COc1cccc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000493284489 388092847 /nfs/dbraw/zinc/09/28/47/388092847.db2.gz BGFNAWPZZSUNLM-FOQNGQEVSA-N 1 0 246.310 1.268 50 0 BDAARO CCC[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000249280705 388157742 /nfs/dbraw/zinc/15/77/42/388157742.db2.gz MQHUJUREPHNFRA-SDDRHHMPSA-N 1 0 215.337 1.911 50 0 BDAARO C[NH+](C)CCN(C(=O)Nc1ccccn1)C1CC1 ZINC000170085180 388258229 /nfs/dbraw/zinc/25/82/29/388258229.db2.gz IMOFEKPGVMWGRZ-UHFFFAOYSA-N 1 0 248.330 1.640 50 0 BDAARO c1nncn1CCC12CCC[NH+]1CCC2 ZINC000065374797 388259974 /nfs/dbraw/zinc/25/99/74/388259974.db2.gz CBLLHBXGUPMYHP-UHFFFAOYSA-N 1 0 206.293 1.297 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037238799 388239794 /nfs/dbraw/zinc/23/97/94/388239794.db2.gz ADDVZCWPYGZRGY-NSHDSACASA-N 1 0 249.314 1.839 50 0 BDAARO CN(Cc1ccnc(N)c1)C[C@@H](O)C(F)(F)F ZINC000193471326 388356232 /nfs/dbraw/zinc/35/62/32/388356232.db2.gz WCDRWKOZSNQQOR-MRVPVSSYSA-N 1 0 249.236 1.019 50 0 BDAARO CCc1ccc(NC(=O)C[NH2+]C[C@@H](C)O)cc1 ZINC000003342426 388374206 /nfs/dbraw/zinc/37/42/06/388374206.db2.gz SXISHBAYEUBTMM-SNVBAGLBSA-N 1 0 236.315 1.158 50 0 BDAARO CC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC000213418663 388388186 /nfs/dbraw/zinc/38/81/86/388388186.db2.gz HWVMIISPGNJXCF-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)ccc1F ZINC000063058155 177756545 /nfs/dbraw/zinc/75/65/45/177756545.db2.gz TXZSPKLWBDMJJG-NSHDSACASA-N 1 0 236.290 1.697 50 0 BDAARO C[NH+](C)C1(CNC(=O)[C@@H]2CCCO2)CCCC1 ZINC000042762526 388445520 /nfs/dbraw/zinc/44/55/20/388445520.db2.gz FBONJEHGWFPZKO-NSHDSACASA-N 1 0 240.347 1.156 50 0 BDAARO Cn1cncc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000335632058 388452794 /nfs/dbraw/zinc/45/27/94/388452794.db2.gz VJPKVTSFJFHTQB-GHMZBOCLSA-N 1 0 211.284 1.790 50 0 BDAARO C[C@H](O)C[NH+](C[C@H](C)O)C[C@H]1CC=CCC1 ZINC000002489751 388459126 /nfs/dbraw/zinc/45/91/26/388459126.db2.gz OBFTVZRVSNHQDB-AVGNSLFASA-N 1 0 227.348 1.406 50 0 BDAARO Cc1occc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073988269 388462974 /nfs/dbraw/zinc/46/29/74/388462974.db2.gz AWCQOQOBVOIDMC-NEPJUHHUSA-N 1 0 248.326 1.897 50 0 BDAARO Cc1cc(C)n(C[C@@]2(C)[NH2+]CCc3nc[nH]c32)n1 ZINC000067841951 388407115 /nfs/dbraw/zinc/40/71/15/388407115.db2.gz PQCQZQBQKMCVTN-CYBMUJFWSA-N 1 0 245.330 1.284 50 0 BDAARO C[N@H+](CCNC(=O)NC1CC1)C1CCCCC1 ZINC000069070555 388412450 /nfs/dbraw/zinc/41/24/50/388412450.db2.gz NAQXXAQGNLRFKU-UHFFFAOYSA-N 1 0 239.363 1.713 50 0 BDAARO Cc1ccsc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000069371420 388415379 /nfs/dbraw/zinc/41/53/79/388415379.db2.gz STMLAGAAPQBFPK-LLVKDONJSA-N 1 0 240.372 1.477 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]CCOC(C)C)c1 ZINC000069569656 388420397 /nfs/dbraw/zinc/42/03/97/388420397.db2.gz CFPSWQDTCICVDU-LBPRGKRZSA-N 1 0 225.336 1.595 50 0 BDAARO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000084237418 256713859 /nfs/dbraw/zinc/71/38/59/256713859.db2.gz WKBDQHQZEPPWBJ-SFYZADRCSA-N 1 0 200.282 1.343 50 0 BDAARO COC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000105676387 388593268 /nfs/dbraw/zinc/59/32/68/388593268.db2.gz VQIYFJOAKKHWII-MNOVXSKESA-N 1 0 228.336 1.012 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1c1noc(C(C)(C)C)n1 ZINC000521218300 388565913 /nfs/dbraw/zinc/56/59/13/388565913.db2.gz VXSGLRKUTDXNMQ-VIFPVBQESA-N 1 0 238.335 1.555 50 0 BDAARO CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000037818381 388575669 /nfs/dbraw/zinc/57/56/69/388575669.db2.gz AMJSDPCEVZJIIQ-STQMWFEESA-N 1 0 248.326 1.324 50 0 BDAARO [NH3+]Cc1ccccc1S(=O)(=O)c1ccccc1 ZINC000090608925 388653261 /nfs/dbraw/zinc/65/32/61/388653261.db2.gz PSGZOFUEZZWEIR-UHFFFAOYSA-N 1 0 247.319 1.978 50 0 BDAARO Cn1c(C[NH2+][C@@H]2CCCOC2)nc2ccccc21 ZINC000111237106 388658612 /nfs/dbraw/zinc/65/86/12/388658612.db2.gz RTOOSNZXJJASRO-LLVKDONJSA-N 1 0 245.326 1.842 50 0 BDAARO CCOCC[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000069818284 388726290 /nfs/dbraw/zinc/72/62/90/388726290.db2.gz ZHIRUFWBUAXMGO-MNOVXSKESA-N 1 0 211.309 1.459 50 0 BDAARO CN(C)C[C@H](O)C[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000095973157 388797316 /nfs/dbraw/zinc/79/73/16/388797316.db2.gz IAMGDXXNAFVQHI-QWHCGFSZSA-N 1 0 242.407 1.715 50 0 BDAARO CC(C)(C)[NH2+]CCNC(=O)CC1(O)CCCC1 ZINC000095431891 388770660 /nfs/dbraw/zinc/77/06/60/388770660.db2.gz DBTQFABXUDJBGY-UHFFFAOYSA-N 1 0 242.363 1.186 50 0 BDAARO C[NH+](C)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 ZINC000225792117 388843710 /nfs/dbraw/zinc/84/37/10/388843710.db2.gz NJSYYJDVLMGZRD-SNVBAGLBSA-N 1 0 241.722 1.611 50 0 BDAARO Cc1cnccc1NC(=O)N(C)CC[NH+](C)C ZINC000096489240 388819848 /nfs/dbraw/zinc/81/98/48/388819848.db2.gz XAMDYUUEHCNQLU-UHFFFAOYSA-N 1 0 236.319 1.415 50 0 BDAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236869 388835216 /nfs/dbraw/zinc/83/52/16/388835216.db2.gz YBXPPECFUCGNBT-UWVGGRQHSA-N 1 0 226.345 1.736 50 0 BDAARO C[C@H](C[S@](C)=O)[N@H+](C)[C@H](C)C1CCC1 ZINC000225640368 388839349 /nfs/dbraw/zinc/83/93/49/388839349.db2.gz PHQUCYWFAKTPFT-RULNRJAQSA-N 1 0 217.378 1.874 50 0 BDAARO CC[N@@H+](CC(N)=O)C[C@H]1C(C)=CCC[C@@H]1C ZINC000225603184 388839486 /nfs/dbraw/zinc/83/94/86/388839486.db2.gz ITCUOPUXRWXGAD-RYUDHWBXSA-N 1 0 224.348 1.786 50 0 BDAARO [NH3+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000043323249 132352826 /nfs/dbraw/zinc/35/28/26/132352826.db2.gz VWXQJZPXBUAUMY-UHFFFAOYSA-N 1 0 205.261 1.065 50 0 BDAARO C(c1noc([C@]23CCC[C@H]2C[NH2+]C3)n1)C1CC1 ZINC000407986769 533379067 /nfs/dbraw/zinc/37/90/67/533379067.db2.gz IRMGZFTVWRORAB-GWCFXTLKSA-N 1 0 233.315 1.663 50 0 BDAARO CC(=O)c1ccnc(N2CCC([NH+](C)C)CC2)c1 ZINC000094727957 132239389 /nfs/dbraw/zinc/23/93/89/132239389.db2.gz UEYVJQYWSAPOBY-UHFFFAOYSA-N 1 0 247.342 1.815 50 0 BDAARO C[NH+]1CCN(c2cccc(Cl)n2)CC1 ZINC000000017836 132312359 /nfs/dbraw/zinc/31/23/59/132312359.db2.gz OOMBBUZQJGYRRW-UHFFFAOYSA-N 1 0 211.696 1.487 50 0 BDAARO FC(F)(F)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000019229955 132324251 /nfs/dbraw/zinc/32/42/51/132324251.db2.gz BNMSJUIMZULLAS-UHFFFAOYSA-N 1 0 231.221 1.510 50 0 BDAARO COc1ccccc1N1CCC([NH3+])CC1 ZINC000019513434 132326044 /nfs/dbraw/zinc/32/60/44/132326044.db2.gz UMGLLRUDCQFRQU-UHFFFAOYSA-N 1 0 206.289 1.623 50 0 BDAARO Cc1ccccc1N1CCN(CCC[NH3+])CC1 ZINC000033854476 132336134 /nfs/dbraw/zinc/33/61/34/132336134.db2.gz IKZPKNILUZZSBA-UHFFFAOYSA-N 1 0 233.359 1.466 50 0 BDAARO Cc1cccc(N2CC[NH+](CCCO)CC2)c1C ZINC000035114479 132337585 /nfs/dbraw/zinc/33/75/85/132337585.db2.gz YPUCVIALUVIHTB-UHFFFAOYSA-N 1 0 248.370 1.808 50 0 BDAARO c1ccc(N2CCN([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000035835460 132339587 /nfs/dbraw/zinc/33/95/87/132339587.db2.gz GYOZHHAQYIBVKK-HNNXBMFYSA-N 1 0 245.370 1.561 50 0 BDAARO Cc1cccc(C)c1N1CCN(CCC[NH3+])CC1 ZINC000045796298 132354981 /nfs/dbraw/zinc/35/49/81/132354981.db2.gz DWRJZPWHMJKODY-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO c1cnnc(N2CCC[C@H]([NH2+]C3CCCC3)C2)c1 ZINC000069809918 132391339 /nfs/dbraw/zinc/39/13/39/132391339.db2.gz DTDHHGMNNHSUNH-ZDUSSCGKSA-N 1 0 246.358 1.978 50 0 BDAARO Cc1ccc2c(c1)C(=O)NC1(CC[NH2+]CC1)N2C ZINC000072221248 132396747 /nfs/dbraw/zinc/39/67/47/132396747.db2.gz QLHAGHPFMIFDSU-UHFFFAOYSA-N 1 0 245.326 1.254 50 0 BDAARO O=[n+]1c2c(n(O)cc1-c1ccc(F)cc1)CCC2 ZINC000334157100 134154921 /nfs/dbraw/zinc/15/49/21/134154921.db2.gz ROXULNKVBBIMHO-UHFFFAOYSA-N 1 0 247.249 1.935 50 0 BDAARO CCCN(CC1CC1)c1cc(CC[NH3+])ncn1 ZINC000067472840 134397755 /nfs/dbraw/zinc/39/77/55/134397755.db2.gz PZNMJVNSNQOWOH-UHFFFAOYSA-N 1 0 234.347 1.604 50 0 BDAARO C[C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000249105780 135032939 /nfs/dbraw/zinc/03/29/39/135032939.db2.gz JCIIYWICAJAKSH-QWRGUYRKSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000252552202 135091907 /nfs/dbraw/zinc/09/19/07/135091907.db2.gz QDKBVOPWMUJSEI-YIYPIFLZSA-N 1 0 240.391 1.731 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ncccn3)c2O1 ZINC000299795170 135207168 /nfs/dbraw/zinc/20/71/68/135207168.db2.gz NXXQSABQIGKLDL-SNVBAGLBSA-N 1 0 245.257 1.545 50 0 BDAARO C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1[NH+](C)C ZINC000078895786 135250730 /nfs/dbraw/zinc/25/07/30/135250730.db2.gz NQEFOSUBWHMUDX-RYUDHWBXSA-N 1 0 238.375 1.975 50 0 BDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)[C@H]1CCOC1 ZINC000670470864 487528707 /nfs/dbraw/zinc/52/87/07/487528707.db2.gz QMRMJVCEWSPQJM-LBPRGKRZSA-N 1 0 237.347 1.680 50 0 BDAARO Clc1ccc(C[NH2+]CCn2cccn2)o1 ZINC000042351679 398014008 /nfs/dbraw/zinc/01/40/08/398014008.db2.gz MENUPUMJEBPDJA-UHFFFAOYSA-N 1 0 225.679 1.919 50 0 BDAARO COC(=O)CCC[N@H+](C)Cc1c(C)noc1C ZINC000050065131 398052621 /nfs/dbraw/zinc/05/26/21/398052621.db2.gz MJSROUDIVHYVEO-UHFFFAOYSA-N 1 0 240.303 1.676 50 0 BDAARO O=C1NCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000003641757 398106730 /nfs/dbraw/zinc/10/67/30/398106730.db2.gz IUIWIPRVGAAEOH-UHFFFAOYSA-N 1 0 246.310 1.761 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N(C)CC(F)(F)F ZINC000040464066 175507176 /nfs/dbraw/zinc/50/71/76/175507176.db2.gz WAYLEBXUWVIUGZ-LURJTMIESA-N 1 0 244.282 1.088 50 0 BDAARO O=c1[nH]c2ccc(C[NH2+][C@@H]3CCSC3)cc2[nH]1 ZINC000680333452 487567250 /nfs/dbraw/zinc/56/72/50/487567250.db2.gz BGDQZHWRCQAZDN-SECBINFHSA-N 1 0 249.339 1.864 50 0 BDAARO CC(C)OCCC[N@H+](C)CC(C)(C)O ZINC000095400265 167209895 /nfs/dbraw/zinc/20/98/95/167209895.db2.gz NYJCJQSEDAAFRK-UHFFFAOYSA-N 1 0 203.326 1.504 50 0 BDAARO CC(C)OCCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000095351196 167211704 /nfs/dbraw/zinc/21/17/04/167211704.db2.gz CQQPRXUJDMNYIY-CYBMUJFWSA-N 1 0 229.364 1.896 50 0 BDAARO C[C@@]1(O)C[C@H]([NH2+]Cc2ccncc2F)C1 ZINC000334955304 487592045 /nfs/dbraw/zinc/59/20/45/487592045.db2.gz JCRORRNWTWIBID-JGZJWPJOSA-N 1 0 210.252 1.224 50 0 BDAARO Brc1csc(N2CC[NH2+]CC2)n1 ZINC000036381467 166106147 /nfs/dbraw/zinc/10/61/47/166106147.db2.gz CSONQEZENAVGRM-UHFFFAOYSA-N 1 0 248.149 1.315 50 0 in-vitro BDAARO Brc1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000043501474 166106266 /nfs/dbraw/zinc/10/62/66/166106266.db2.gz RIPZJPGXUJQILM-QMMMGPOBSA-N 1 0 230.109 1.570 50 0 BDAARO C(=C\c1ccccc1)\C[NH2+]CCN1CCOCC1 ZINC000033936579 166227548 /nfs/dbraw/zinc/22/75/48/166227548.db2.gz HYRSJROMDFPZTK-DAXSKMNVSA-N 1 0 246.354 1.622 50 0 BDAARO CC(=O)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000178715654 166457011 /nfs/dbraw/zinc/45/70/11/166457011.db2.gz NZVRXGJOOFRHPM-ZDUSSCGKSA-N 1 0 246.310 1.371 50 0 BDAARO CC(C)(C)[NH2+]CCNC(=O)CC1CCOCC1 ZINC000096437210 166631299 /nfs/dbraw/zinc/63/12/99/166631299.db2.gz WTKFUKUGGJJBBK-UHFFFAOYSA-N 1 0 242.363 1.307 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)Cc1nc2ccccc2[nH]1 ZINC000071773289 166634294 /nfs/dbraw/zinc/63/42/94/166634294.db2.gz YACDDZKDPPSNPB-SNVBAGLBSA-N 1 0 247.342 1.854 50 0 BDAARO CC(C)(C)OC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000021303673 166660006 /nfs/dbraw/zinc/66/00/06/166660006.db2.gz UUHPKKKRSZBQIG-ULKQDVFKSA-N 1 0 226.320 1.794 50 0 BDAARO CC(C)C[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000006767750 167009578 /nfs/dbraw/zinc/00/95/78/167009578.db2.gz YLUBMXWMBCOODK-UHFFFAOYSA-N 1 0 247.342 1.623 50 0 BDAARO CC(C)[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000049633216 167102914 /nfs/dbraw/zinc/10/29/14/167102914.db2.gz FPTQRHXQJHGCKE-UHFFFAOYSA-N 1 0 246.310 1.671 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(C)o2)C1 ZINC000255397681 322928052 /nfs/dbraw/zinc/92/80/52/322928052.db2.gz ICEPEKKWQKUPMN-FOQNGQEVSA-N 1 0 248.326 1.669 50 0 BDAARO C[C@@H]1[C@H]([NH2+]CCO)C[C@H]1c1ccccc1 ZINC000108333193 411144409 /nfs/dbraw/zinc/14/44/09/411144409.db2.gz GCUJBNIVAOTURQ-CYZMBNFOSA-N 1 0 205.301 1.761 50 0 BDAARO CC(C)n1nccc1NC(=O)CCC[NH3+] ZINC000072220464 167795795 /nfs/dbraw/zinc/79/57/95/167795795.db2.gz JJMRUUOPBCAFAO-UHFFFAOYSA-N 1 0 210.281 1.141 50 0 BDAARO CC1(C)CC2(CC(C)(C)[NH+]1CCO)OCCO2 ZINC000012402174 167889752 /nfs/dbraw/zinc/88/97/52/167889752.db2.gz OMJHHRSUEOVGMC-UHFFFAOYSA-N 1 0 243.347 1.375 50 0 BDAARO CC(C)(C)OC(=O)NC1(C)CC[NH2+]CC1 ZINC000038540566 168057639 /nfs/dbraw/zinc/05/76/39/168057639.db2.gz MVUNGZMGWJXPIM-UHFFFAOYSA-N 1 0 214.309 1.653 50 0 BDAARO CC1(NC(=O)OCc2ccccc2)C[NH2+]C1 ZINC000110915866 168058588 /nfs/dbraw/zinc/05/85/88/168058588.db2.gz CZSJEUANCQDUJL-UHFFFAOYSA-N 1 0 220.272 1.275 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCNC(=O)CC1 ZINC000191065639 168103419 /nfs/dbraw/zinc/10/34/19/168103419.db2.gz AWZQQFPZPBDSLH-STQMWFEESA-N 1 0 236.359 1.801 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ncnn1C ZINC000152611287 168105082 /nfs/dbraw/zinc/10/50/82/168105082.db2.gz OWMKWDJAEDGDTD-RYUDHWBXSA-N 1 0 234.347 1.897 50 0 BDAARO CC(C)[C@@H]([NH2+]CC1(O)CCC(C)CC1)C(N)=O ZINC000096491670 168167528 /nfs/dbraw/zinc/16/75/28/168167528.db2.gz DRTRRBWRMXCMID-QWKFWESOSA-N 1 0 242.363 1.027 50 0 BDAARO CC1CCC(OCCCNC(N)=[NH2+])CC1 ZINC000095918044 168168456 /nfs/dbraw/zinc/16/84/56/168168456.db2.gz OTVPAXQENJLJMU-UHFFFAOYSA-N 1 0 213.325 1.455 50 0 BDAARO CC[N@@H+]1CCc2c(sc(N)c2C(=O)NC)C1 ZINC000036669096 170024763 /nfs/dbraw/zinc/02/47/63/170024763.db2.gz MIQJEZDRJXAHBO-UHFFFAOYSA-N 1 0 239.344 1.068 50 0 BDAARO CCNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000169792869 170084645 /nfs/dbraw/zinc/08/46/45/170084645.db2.gz RTRINCSZSNVGEE-UHFFFAOYSA-N 1 0 235.287 1.310 50 0 BDAARO CCNC(=O)[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000036795341 170088029 /nfs/dbraw/zinc/08/80/29/170088029.db2.gz OEXBBQPWZUQSBY-SNVBAGLBSA-N 1 0 232.327 1.268 50 0 BDAARO CC[NH2+]CCNC(=O)c1cc(C)c(CC)o1 ZINC000096482539 170115544 /nfs/dbraw/zinc/11/55/44/170115544.db2.gz IUSDQOGTFNFNQC-UHFFFAOYSA-N 1 0 224.304 1.490 50 0 BDAARO CCNC(=O)COc1cccc(C[NH2+]CC)c1 ZINC000004858669 170128080 /nfs/dbraw/zinc/12/80/80/170128080.db2.gz VCXDSICQQDUQFK-UHFFFAOYSA-N 1 0 236.315 1.311 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)cc1F ZINC000096663746 170233768 /nfs/dbraw/zinc/23/37/68/170233768.db2.gz KENQBXUDSHKWTQ-NSHDSACASA-N 1 0 241.262 1.787 50 0 BDAARO CCOC(=O)N1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC000000216001 170239833 /nfs/dbraw/zinc/23/98/33/170239833.db2.gz OWVOYDCGWMWYSR-RYUDHWBXSA-N 1 0 240.347 1.949 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000022591543 170279650 /nfs/dbraw/zinc/27/96/50/170279650.db2.gz GVLBDFVUSANMGP-ZDUSSCGKSA-N 1 0 248.326 1.857 50 0 BDAARO CCOC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000038580852 170297292 /nfs/dbraw/zinc/29/72/92/170297292.db2.gz QNUWRKPXOKSTET-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(=O)c1ncn(-c2cc[nH+]cc2)c1N ZINC000044589903 170309143 /nfs/dbraw/zinc/30/91/43/170309143.db2.gz DWWXKVQYNTYHOB-UHFFFAOYSA-N 1 0 232.243 1.026 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000037083414 170960510 /nfs/dbraw/zinc/96/05/10/170960510.db2.gz ZHKNXBOXQLGSPK-GFCCVEGCSA-N 1 0 224.348 1.777 50 0 BDAARO CC[C@@H]1c2ccsc2CCN1CC(N)=O ZINC000009722100 171162604 /nfs/dbraw/zinc/16/26/04/171162604.db2.gz ZOZZANSXXKOURQ-SECBINFHSA-N 1 0 224.329 1.543 50 0 BDAARO CC[C@@]1(C2=[NH+]CCN2)Cc2ccccc2O1 ZINC000000002748 171211965 /nfs/dbraw/zinc/21/19/65/171211965.db2.gz RATZLMXRALDSJW-ZDUSSCGKSA-N 1 0 216.284 1.772 50 0 world BDAARO CC[C@]1(c2cccc(O)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000100258217 171217082 /nfs/dbraw/zinc/21/70/82/171217082.db2.gz IQHUEFJTHUQVFL-ITGUQSILSA-N 1 0 203.285 1.889 50 0 BDAARO CC[C@H](C(=O)[O-])[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000044620187 171235857 /nfs/dbraw/zinc/23/58/57/171235857.db2.gz SBMAMAJQSPFQOX-NWDGAFQWSA-N 1 0 242.363 1.656 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)C1CCC1 ZINC000066137592 171306964 /nfs/dbraw/zinc/30/69/64/171306964.db2.gz DDUZSMXYVOKMCG-JTQLQIEISA-N 1 0 212.337 1.633 50 0 BDAARO CC[C@H](C)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000006662415 171343168 /nfs/dbraw/zinc/34/31/68/171343168.db2.gz XUHZKEVRBHZZRE-JTQLQIEISA-N 1 0 247.342 1.765 50 0 BDAARO CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CCOC1 ZINC000095421877 171541590 /nfs/dbraw/zinc/54/15/90/171541590.db2.gz WECVSHNSFICIFE-SCRDCRAPSA-N 1 0 238.375 1.628 50 0 BDAARO CCC[C@@H](CNc1nccc(NC)n1)[NH+](C)C ZINC000534648209 412364034 /nfs/dbraw/zinc/36/40/34/412364034.db2.gz PQRAQSNDCXZBRV-JTQLQIEISA-N 1 0 237.351 1.661 50 0 BDAARO CCc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1 ZINC000227974008 171807889 /nfs/dbraw/zinc/80/78/89/171807889.db2.gz QPUQCUQIHNCCLS-IUODEOHRSA-N 1 0 249.354 1.879 50 0 BDAARO CCn1c[n+](Cc2cccc(Cl)c2)cn1 ZINC000252507454 172149127 /nfs/dbraw/zinc/14/91/27/172149127.db2.gz WMDXBCPPEJEMDF-UHFFFAOYSA-N 1 0 222.699 1.892 50 0 BDAARO CN(C(=O)C1C(C)(C)C1(C)C)C1CC[NH2+]CC1 ZINC000091492650 172297930 /nfs/dbraw/zinc/29/79/30/172297930.db2.gz KXNDWUVJDKSPDP-UHFFFAOYSA-N 1 0 238.375 1.879 50 0 BDAARO CN(C)C(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000050304575 172383800 /nfs/dbraw/zinc/38/38/00/172383800.db2.gz JYZWVOVXGVVHCJ-SNVBAGLBSA-N 1 0 224.279 1.031 50 0 BDAARO C[NH+](C)CCCNc1nc2ccccc2[nH]1 ZINC000008701457 172444016 /nfs/dbraw/zinc/44/40/16/172444016.db2.gz AHVLSCXTMGXAJB-UHFFFAOYSA-N 1 0 218.304 1.927 50 0 BDAARO C[NH+]1CCC(c2cncc(Cl)n2)CC1 ZINC000072343826 173001976 /nfs/dbraw/zinc/00/19/76/173001976.db2.gz DMMWHPPOUCZNAE-UHFFFAOYSA-N 1 0 211.696 1.939 50 0 BDAARO C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000095410762 173006873 /nfs/dbraw/zinc/00/68/73/173006873.db2.gz BHFNEAUFPOYSFB-XQQFMLRXSA-N 1 0 236.359 1.729 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2ccccc2N)CC1 ZINC000020217536 173013503 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/nfs/dbraw/zinc/33/67/86/173336786.db2.gz COTDAKYPMOOOKG-UHFFFAOYSA-N 1 0 202.298 1.509 50 0 BDAARO C[NH2+]CCn1cc(CCC2CCCC2)nn1 ZINC000095355539 173361547 /nfs/dbraw/zinc/36/15/47/173361547.db2.gz DFYXVTYSQXEHOI-UHFFFAOYSA-N 1 0 222.336 1.620 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)C1CCCCCC1 ZINC000132677393 173363990 /nfs/dbraw/zinc/36/39/90/173363990.db2.gz KAYRZYQGISJPLF-LLVKDONJSA-N 1 0 226.364 1.929 50 0 BDAARO C[NH2+]C[C@H](C)CNC(=O)c1ccc(C)cc1F ZINC000095971603 173375378 /nfs/dbraw/zinc/37/53/78/173375378.db2.gz XXLAQHVLBYHUNJ-JTQLQIEISA-N 1 0 238.306 1.719 50 0 BDAARO C[NH2+]C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006687740 173378192 /nfs/dbraw/zinc/37/81/92/173378192.db2.gz VBOKFYPMWORKLW-LLVKDONJSA-N 1 0 204.273 1.707 50 0 BDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000088451610 173378633 /nfs/dbraw/zinc/37/86/33/173378633.db2.gz LUAQYTFCDAAITQ-GFCCVEGCSA-N 1 0 247.342 1.462 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1cccc(C)c1 ZINC000122569799 173380313 /nfs/dbraw/zinc/38/03/13/173380313.db2.gz NXHXFRRYBDYYHP-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]Cc1cc(Br)ccc1N ZINC000088611412 173386424 /nfs/dbraw/zinc/38/64/24/173386424.db2.gz HCDBITUQEAPQJT-UHFFFAOYSA-N 1 0 215.094 1.751 50 0 BDAARO C[NH2+]Cc1ccccc1OC1CCOCC1 ZINC000012370465 173390795 /nfs/dbraw/zinc/39/07/95/173390795.db2.gz ZTMRIJRRCHAUNA-UHFFFAOYSA-N 1 0 221.300 1.964 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC000004850791 173394623 /nfs/dbraw/zinc/39/46/23/173394623.db2.gz ZKARIOBRVAUQJI-UHFFFAOYSA-N 1 0 219.244 1.465 50 0 BDAARO C[NH2+]Cc1nncn1-c1cccc(C(C)=O)c1 ZINC000067833362 173398508 /nfs/dbraw/zinc/39/85/08/173398508.db2.gz LGRKGRVFTJFOTI-UHFFFAOYSA-N 1 0 230.271 1.189 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]C1CCSCC1 ZINC000096005938 173503301 /nfs/dbraw/zinc/50/33/01/173503301.db2.gz GAOUERFYCSRJQK-UHFFFAOYSA-N 1 0 231.361 1.671 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000044135804 173822942 /nfs/dbraw/zinc/82/29/42/173822942.db2.gz 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1.701 50 0 BDAARO COCCCOCC[C@H]1CCCC[NH2+]1 ZINC000037747447 174255318 /nfs/dbraw/zinc/25/53/18/174255318.db2.gz IRWWBLRTGPMPTJ-LLVKDONJSA-N 1 0 201.310 1.572 50 0 BDAARO COCC[N@@H+]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000069819152 174309680 /nfs/dbraw/zinc/30/96/80/174309680.db2.gz VSOHXYMZIWYEBO-ZDUSSCGKSA-N 1 0 249.358 1.234 50 0 BDAARO COCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000054187839 174310410 /nfs/dbraw/zinc/31/04/10/174310410.db2.gz UDRFHGZMDFCGFM-UHFFFAOYSA-N 1 0 248.370 1.493 50 0 BDAARO COCC[N@@H+]1CC[C@@](O)(C2CC2)[C@H](C)C1 ZINC000092098520 174312618 /nfs/dbraw/zinc/31/26/18/174312618.db2.gz RMHWRZMNYCLXQE-PWSUYJOCSA-N 1 0 213.321 1.116 50 0 BDAARO COCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000245254567 174316378 /nfs/dbraw/zinc/31/63/78/174316378.db2.gz AHGSGJBYLULRAA-TUAOUCFPSA-N 1 0 213.321 1.258 50 0 BDAARO COCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000037186405 174334596 /nfs/dbraw/zinc/33/45/96/174334596.db2.gz DFPLXMSQMCMNCZ-UHFFFAOYSA-N 1 0 232.287 1.208 50 0 BDAARO COCC[NH2+]Cc1cncc(Br)c1 ZINC000053292920 174336108 /nfs/dbraw/zinc/33/61/08/174336108.db2.gz FQABEWNVZMCLPI-UHFFFAOYSA-N 1 0 245.120 1.580 50 0 BDAARO COCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000003680938 174336942 /nfs/dbraw/zinc/33/69/42/174336942.db2.gz PCRMPYNSGZWFMH-JTQLQIEISA-N 1 0 211.280 1.993 50 0 BDAARO COCCOCCOCC[C@@H]1CCC[NH2+]C1 ZINC000042771631 174359820 /nfs/dbraw/zinc/35/98/20/174359820.db2.gz SDZLCPPRWILSNF-LBPRGKRZSA-N 1 0 231.336 1.056 50 0 BDAARO COC[C@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000008498129 174542192 /nfs/dbraw/zinc/54/21/92/174542192.db2.gz WYFLNXGASJSGFN-VIFPVBQESA-N 1 0 204.273 1.862 50 0 BDAARO C[C@@H]([NH3+])CC(=O)N(Cc1ccncc1)C1CC1 ZINC000037803433 487628970 /nfs/dbraw/zinc/62/89/70/487628970.db2.gz VUOVUNGGCHYOAI-SNVBAGLBSA-N 1 0 233.315 1.310 50 0 BDAARO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCO ZINC000004655693 174872147 /nfs/dbraw/zinc/87/21/47/174872147.db2.gz CKNGVACMCYSSFS-JQWIXIFHSA-N 1 0 209.289 1.345 50 0 BDAARO COc1cc(OC)c(NC(=O)C[NH3+])cc1Cl ZINC000019423915 175007482 /nfs/dbraw/zinc/00/74/82/175007482.db2.gz WQIKJWXBAUJAPU-UHFFFAOYSA-N 1 0 244.678 1.254 50 0 BDAARO COc1cc([C@H](C)[NH3+])ccc1OCCO ZINC000019966587 175015582 /nfs/dbraw/zinc/01/55/82/175015582.db2.gz QSNUDGAAHBRPNA-QMMMGPOBSA-N 1 0 211.261 1.086 50 0 BDAARO COc1ccc(Br)cc1C[NH3+] ZINC000026514369 175051438 /nfs/dbraw/zinc/05/14/38/175051438.db2.gz ODAOIEZTCKINBJ-UHFFFAOYSA-N 1 0 216.078 1.916 50 0 BDAARO COc1ccc(CN2CC[NH2+]CC2)cc1F ZINC000019230012 175099719 /nfs/dbraw/zinc/09/97/19/175099719.db2.gz DOHKJEHZIZZYLD-UHFFFAOYSA-N 1 0 224.279 1.240 50 0 BDAARO COc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000043501569 175114218 /nfs/dbraw/zinc/11/42/18/175114218.db2.gz WPOJOYWEHMHUOS-CYBMUJFWSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccc(OC)c([C@@H](C[NH3+])N(C)C)c1 ZINC000019796336 175166902 /nfs/dbraw/zinc/16/69/02/175166902.db2.gz PHGQORFMVUSULO-LLVKDONJSA-N 1 0 224.304 1.265 50 0 BDAARO COc1ccc([C@@H](C)[NH3+])cc1Cn1cccn1 ZINC000037642510 175176408 /nfs/dbraw/zinc/17/64/08/175176408.db2.gz FJEZKUSODUTIEB-SNVBAGLBSA-N 1 0 231.299 1.960 50 0 BDAARO COc1ccc([C@@](C)(O)[C@@H]2CCC[NH2+]2)cc1 ZINC000069842453 175186654 /nfs/dbraw/zinc/18/66/54/175186654.db2.gz XAJLILFYLVEXSH-QWHCGFSZSA-N 1 0 221.300 1.655 50 0 BDAARO COc1ccc([C@H](C)[NH2+]CCC(N)=O)cc1F ZINC000032751152 175188370 /nfs/dbraw/zinc/18/83/70/175188370.db2.gz UCBRPPZMEVHVPL-QMMMGPOBSA-N 1 0 240.278 1.360 50 0 BDAARO COc1ccc([C@H]2C[C@@H](O)CC[NH2+]2)cc1OC ZINC000041278407 175198336 /nfs/dbraw/zinc/19/83/36/175198336.db2.gz VDHXXHSCTRTPAC-WDEREUQCSA-N 1 0 237.299 1.489 50 0 BDAARO COc1ccc2c(c1)OC(C)(C)[C@@H]([NH3+])C2 ZINC000095918225 175212454 /nfs/dbraw/zinc/21/24/54/175212454.db2.gz ZHRSTDAYULTBQD-NSHDSACASA-N 1 0 207.273 1.736 50 0 BDAARO COc1ccc2c(c1)nc(CC[NH3+])n2C ZINC000011567874 175218410 /nfs/dbraw/zinc/21/84/10/175218410.db2.gz FEHMMHHWZQRIFT-UHFFFAOYSA-N 1 0 205.261 1.083 50 0 BDAARO COc1cccc(CC(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000041028678 175250048 /nfs/dbraw/zinc/25/00/48/175250048.db2.gz VUSDKYRJYDFQTR-GFCCVEGCSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC000071811734 175271768 /nfs/dbraw/zinc/27/17/68/175271768.db2.gz DYRLORYRDPQHDV-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000011754441 175277624 /nfs/dbraw/zinc/27/76/24/175277624.db2.gz QZMGQWNJVIMGHM-NSHDSACASA-N 1 0 220.272 1.386 50 0 BDAARO COc1ccccc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246090 175316996 /nfs/dbraw/zinc/31/69/96/175316996.db2.gz OHCYFCBVNZETID-SNVBAGLBSA-N 1 0 234.299 1.116 50 0 BDAARO COc1ccccc1CC[N@H+](C)[C@@H]1CCNC1=O ZINC000083861095 175322341 /nfs/dbraw/zinc/32/23/41/175322341.db2.gz OLBKJXDCKVHUSU-GFCCVEGCSA-N 1 0 248.326 1.058 50 0 BDAARO COc1ccccc1N1CC[NH2+][C@H](C)CC1 ZINC000049660833 175336123 /nfs/dbraw/zinc/33/61/23/175336123.db2.gz LLRXTHCYGIMTOI-LLVKDONJSA-N 1 0 220.316 1.883 50 0 BDAARO C[C@@H](CC(N)=O)[NH2+]CCc1cccc(Cl)c1 ZINC000008938016 175651899 /nfs/dbraw/zinc/65/18/99/175651899.db2.gz MVAXMHQOZYBABB-VIFPVBQESA-N 1 0 240.734 1.736 50 0 BDAARO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1F ZINC000090849590 175895615 /nfs/dbraw/zinc/89/56/15/175895615.db2.gz LLKLBGRSHBVWNT-ZWNOBZJWSA-N 1 0 239.290 1.628 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnccn1 ZINC000046858886 176072286 /nfs/dbraw/zinc/07/22/86/176072286.db2.gz IIZCYONSWGIGBK-LLVKDONJSA-N 1 0 248.330 1.081 50 0 BDAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CCOCCO)[C@@H]12 ZINC000222071568 176151066 /nfs/dbraw/zinc/15/10/66/176151066.db2.gz DIQSSKRPKSIJJD-RDBSUJKOSA-N 1 0 241.375 1.896 50 0 BDAARO C[C@@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000035788795 176244734 /nfs/dbraw/zinc/24/47/34/176244734.db2.gz ARCCYCWHJBSGFD-GHMZBOCLSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000019512991 176254066 /nfs/dbraw/zinc/25/40/66/176254066.db2.gz HJMJZDVMWMDIGL-WZRBSPASSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC(C)(C)O1 ZINC000247066489 176255612 /nfs/dbraw/zinc/25/56/12/176255612.db2.gz YCFARPGSZKEQMS-GMTAPVOTSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@H]([NH3+])[C@H]1Oc2ccccc2OC1(C)C ZINC000005721710 176773210 /nfs/dbraw/zinc/77/32/10/176773210.db2.gz IQXOOOASMXLSJR-GZMMTYOYSA-N 1 0 207.273 1.952 50 0 BDAARO C[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000004592773 177090974 /nfs/dbraw/zinc/09/09/74/177090974.db2.gz ICQRQVGOGYEPCC-JTQLQIEISA-N 1 0 210.321 1.245 50 0 BDAARO C[C@H]1CCCN(C(=O)C2CCCC2)[C@@H]1C[NH3+] ZINC000069726118 177091080 /nfs/dbraw/zinc/09/10/80/177091080.db2.gz OFDJKRXKBJGAKI-CMPLNLGQSA-N 1 0 224.348 1.762 50 0 BDAARO C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@H]1C[NH3+] ZINC000069726075 177091164 /nfs/dbraw/zinc/09/11/64/177091164.db2.gz USNYRQTXWQYIHM-YUMQZZPRSA-N 1 0 238.253 1.525 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000242263386 177094756 /nfs/dbraw/zinc/09/47/56/177094756.db2.gz XYOHEPPCIUBUHN-VLEAKVRGSA-N 1 0 210.321 1.228 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccco2)[C@@H]1C[NH3+] ZINC000069726421 177095114 /nfs/dbraw/zinc/09/51/14/177095114.db2.gz PHJWMOISXVOMAE-VHSXEESVSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000084237571 177151269 /nfs/dbraw/zinc/15/12/69/177151269.db2.gz OWWPBKGSGNQMPL-IUCAKERBSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@@H]1Nc1cnn(C)c1 ZINC000097378984 177233522 /nfs/dbraw/zinc/23/35/22/177233522.db2.gz VAWKNCFCSDGWHR-ONGXEEELSA-N 1 0 208.309 1.172 50 0 BDAARO C[C@H]1C[N@H+](CCc2cn[nH]c2)CCC1(F)F ZINC000297611711 177255975 /nfs/dbraw/zinc/25/59/75/177255975.db2.gz KRUHEESWMWOJQO-VIFPVBQESA-N 1 0 229.274 1.929 50 0 BDAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCCO2)C[C@H](C)O1 ZINC000040460784 177257964 /nfs/dbraw/zinc/25/79/64/177257964.db2.gz GOUMEBZCQCSBQA-TUAOUCFPSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@H]1C[NH+](Cc2cccc(N)c2)C[C@H](C)O1 ZINC000019264322 177264543 /nfs/dbraw/zinc/26/45/43/177264543.db2.gz SAPOZTKSZOJTJM-QWRGUYRKSA-N 1 0 220.316 1.878 50 0 BDAARO C[C@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000039084863 177364199 /nfs/dbraw/zinc/36/41/99/177364199.db2.gz RDMVVTNPIKHJHP-YUMQZZPRSA-N 1 0 200.282 1.343 50 0 BDAARO Nc1nnc(C[NH2+][C@@H]2CCCSC2)s1 ZINC000534588298 487811844 /nfs/dbraw/zinc/81/18/44/487811844.db2.gz OPEXTOPQNBLISC-ZCFIWIBFSA-N 1 0 230.362 1.106 50 0 BDAARO CC(C)Cc1cc(CNC(=O)[C@@H]2C=CC[NH2+]2)on1 ZINC000534577651 323153838 /nfs/dbraw/zinc/15/38/38/323153838.db2.gz PXPWOAZJYYBEHA-LBPRGKRZSA-N 1 0 249.314 1.017 50 0 BDAARO Cc1cnccc1C(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000534578713 323153870 /nfs/dbraw/zinc/15/38/70/323153870.db2.gz YTRXKOXBHVXXEB-PTEHBNRSSA-N 1 0 245.326 1.199 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc(C)n1 ZINC000534644096 323156597 /nfs/dbraw/zinc/15/65/97/323156597.db2.gz LVSQVLAEDKNOMO-LBPRGKRZSA-N 1 0 233.315 1.262 50 0 BDAARO C1CC1c1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)no1 ZINC000534641418 323157341 /nfs/dbraw/zinc/15/73/41/323157341.db2.gz NGFFERCAHVGDAM-ZDUSSCGKSA-N 1 0 248.330 1.527 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@H]1Nc1cnn(C)c1 ZINC000253370710 487976231 /nfs/dbraw/zinc/97/62/31/487976231.db2.gz VAWKNCFCSDGWHR-GXSJLCMTSA-N 1 0 208.309 1.172 50 0 BDAARO COc1ccccc1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000111824951 488012592 /nfs/dbraw/zinc/01/25/92/488012592.db2.gz KCYUNMDQZGHGNP-GFCCVEGCSA-N 1 0 248.326 1.454 50 0 BDAARO COc1ccc(NC(=O)C(C)(C)[NH+](C)C)cc1 ZINC000084139891 488015120 /nfs/dbraw/zinc/01/51/20/488015120.db2.gz WKIMXVQETOVGAH-UHFFFAOYSA-N 1 0 236.315 1.974 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC000091492687 488054689 /nfs/dbraw/zinc/05/46/89/488054689.db2.gz ATZSVIAVVSFJQO-JTQLQIEISA-N 1 0 238.375 1.879 50 0 BDAARO CC(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1[NH3+] ZINC000091665386 488057680 /nfs/dbraw/zinc/05/76/80/488057680.db2.gz QKMLZUVHFQFFAA-NEPJUHHUSA-N 1 0 212.337 1.081 50 0 BDAARO Clc1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000000026367 487470977 /nfs/dbraw/zinc/47/09/77/487470977.db2.gz VKSKAVRZDTVYRL-BDAKNGLRSA-N 1 0 238.722 1.461 50 0 BDAARO Cc1ncc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cn1 ZINC000670433943 487485478 /nfs/dbraw/zinc/48/54/78/487485478.db2.gz VYCPKYJKCPOZRY-LBPRGKRZSA-N 1 0 235.331 1.378 50 0 BDAARO C[C@H]([NH2+]CCc1nc(N)cc(=O)[nH]1)C1CCC1 ZINC000670450323 487500622 /nfs/dbraw/zinc/50/06/22/487500622.db2.gz ZZSMJVLKGIUYOE-QMMMGPOBSA-N 1 0 236.319 1.085 50 0 BDAARO CC(C)=CCC[N@H+]1C[C@H](CO)C[C@H](CO)C1 ZINC000670452564 487505427 /nfs/dbraw/zinc/50/54/27/487505427.db2.gz GCNCNOJYIAVFOB-BETUJISGSA-N 1 0 227.348 1.265 50 0 BDAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000670457227 487510511 /nfs/dbraw/zinc/51/05/11/487510511.db2.gz XIJDSVOVHWKLHE-LBPRGKRZSA-N 1 0 248.326 1.350 50 0 BDAARO Cc1nccc(NC[C@@H]2CC[C@H](C)[N@H+]2C)n1 ZINC000382105781 490101794 /nfs/dbraw/zinc/10/17/94/490101794.db2.gz IFXBQGZPVQRELJ-ONGXEEELSA-N 1 0 220.320 1.680 50 0 BDAARO Cc1ccc(OCC[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000047915837 490167794 /nfs/dbraw/zinc/16/77/94/490167794.db2.gz WNDCTCWRSLRIIQ-CYBMUJFWSA-N 1 0 235.327 1.831 50 0 BDAARO COc1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1C ZINC000237304546 490257669 /nfs/dbraw/zinc/25/76/69/490257669.db2.gz RZZNOGBNLXIQPT-LBPRGKRZSA-N 1 0 248.326 1.229 50 0 BDAARO CC1(NC(=O)[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000228861596 491107261 /nfs/dbraw/zinc/10/72/61/491107261.db2.gz RUKAFFVROXQTGW-SNVBAGLBSA-N 1 0 222.332 1.435 50 0 BDAARO C[NH+](C)[C@H]1CCCN(Cc2cccnc2N)CC1 ZINC000072122612 491122397 /nfs/dbraw/zinc/12/23/97/491122397.db2.gz UMDUCUYFCRMHPG-ZDUSSCGKSA-N 1 0 248.374 1.580 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000228069167 519828774 /nfs/dbraw/zinc/82/87/74/519828774.db2.gz FZZIJTJTVQLPQX-FDYHWXHSSA-N 1 0 227.348 1.815 50 0 BDAARO CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000072511800 521758097 /nfs/dbraw/zinc/75/80/97/521758097.db2.gz ZCYGXJQQPATVKV-OPQQBVKSSA-N 1 0 240.347 1.058 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1SC ZINC000247818313 522782310 /nfs/dbraw/zinc/78/23/10/522782310.db2.gz CDPMAKQXGFJHBI-OUAUKWLOSA-N 1 0 233.377 1.210 50 0 BDAARO C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000241515564 524217955 /nfs/dbraw/zinc/21/79/55/524217955.db2.gz OGHGHPZBORJKGP-VXGBXAGGSA-N 1 0 240.347 1.014 50 0 BDAARO Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000157173085 524466592 /nfs/dbraw/zinc/46/65/92/524466592.db2.gz BLAVMRRCTRGBLN-SECBINFHSA-N 1 0 224.329 1.364 50 0 BDAARO Cc1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000002510445 524575547 /nfs/dbraw/zinc/57/55/47/524575547.db2.gz BEMYUVZGJSRRKX-UHFFFAOYSA-N 1 0 219.288 1.964 50 0 BDAARO COc1ccc2c(c1)[C@H]1CCC[NH2+][C@H]1CO2 ZINC000059470875 525593036 /nfs/dbraw/zinc/59/30/36/525593036.db2.gz ODUMGSVRAHLVDM-PWSUYJOCSA-N 1 0 219.284 1.923 50 0 BDAARO Cc1ccoc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000089701974 525803740 /nfs/dbraw/zinc/80/37/40/525803740.db2.gz FURSTOJDNDFBHX-JTQLQIEISA-N 1 0 220.276 1.358 50 0 BDAARO [NH3+]Cc1cc(Br)cc2c1OCO2 ZINC000095628496 527242951 /nfs/dbraw/zinc/24/29/51/527242951.db2.gz SMZCQOSIKIMZDI-UHFFFAOYSA-N 1 0 230.061 1.637 50 0 BDAARO Cc1nccn1CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000244691756 527412431 /nfs/dbraw/zinc/41/24/31/527412431.db2.gz JISWJSHOCAHONO-CQSZACIVSA-N 1 0 248.374 1.362 50 0 BDAARO CCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000040540120 534936197 /nfs/dbraw/zinc/93/61/97/534936197.db2.gz CERLVSBDHAPEMZ-UHFFFAOYSA-N 1 0 220.316 1.924 50 0 BDAARO CCO[C@@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000049056240 535745793 /nfs/dbraw/zinc/74/57/93/535745793.db2.gz LEVWUPPKHWXWML-SNVBAGLBSA-N 1 0 236.319 1.373 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@@H](C)C[C@H]1[NH3+] ZINC000757207484 582559605 /nfs/dbraw/zinc/55/96/05/582559605.db2.gz BIPWZMLEUIJQDR-PELMWDNLSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@@H](C)C[C@@H]1[NH3+] ZINC000757207493 582559771 /nfs/dbraw/zinc/55/97/71/582559771.db2.gz BIPWZMLEUIJQDR-ULSRQLJBSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@H](C)C[C@H]1N ZINC000757215738 586440916 /nfs/dbraw/zinc/44/09/16/586440916.db2.gz XPEGUNPXVZGEBF-XPLICSAQSA-N 1 0 244.342 1.869 50 0 BDAARO CON(C)CC[NH2+][C@H](C)Cc1ccccc1F ZINC000850478436 588549944 /nfs/dbraw/zinc/54/99/44/588549944.db2.gz BCKSZCNRYKNUNN-LLVKDONJSA-N 1 0 240.322 1.840 50 0 BDAARO C[C@@H]1C[C@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000084237649 635607621 /nfs/dbraw/zinc/60/76/21/635607621.db2.gz QGYMPOQFLAXXFG-NXEZZACHSA-N 1 0 228.336 1.981 50 0 BDAARO COc1cccc2c1OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675063680 640959021 /nfs/dbraw/zinc/95/90/21/640959021.db2.gz KKDVFWGVZSVZBA-PSASIEDQSA-N 1 0 207.273 1.594 50 0 BDAARO CCc1c(C)nc2sc(N)n[n+]2c1C ZINC000022341585 642310687 /nfs/dbraw/zinc/31/06/87/642310687.db2.gz NWRNTYVMUVXGDJ-UHFFFAOYSA-N 1 0 209.298 1.038 50 0 BDAARO CCN1CC[N@H+](Cc2ccccc2)CCC1=O ZINC000014980329 642885890 /nfs/dbraw/zinc/88/58/90/642885890.db2.gz QNALCHRZNLJWBQ-UHFFFAOYSA-N 1 0 232.327 1.741 50 0 BDAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1ccccn1 ZINC000952985279 644445233 /nfs/dbraw/zinc/44/52/33/644445233.db2.gz ANIMSMKOMNHZJR-LBPRGKRZSA-N 1 0 230.315 1.847 50 0 BDAARO COc1ccccc1[C@@H]([NH3+])C(C)(C)CO ZINC000095672421 644763357 /nfs/dbraw/zinc/76/33/57/644763357.db2.gz GIACLYWVELRCBE-LLVKDONJSA-N 1 0 209.289 1.714 50 0 BDAARO [NH3+][C@H](c1ccns1)C1(O)CC(CF)(CF)C1 ZINC000958527882 644806028 /nfs/dbraw/zinc/80/60/28/644806028.db2.gz IFZLAOWTLGCSSI-MRVPVSSYSA-N 1 0 248.298 1.593 50 0 BDAARO [NH3+][C@@H](CC1CC1)[C@]1(O)CCCSC1 ZINC000958528846 644808181 /nfs/dbraw/zinc/80/81/81/644808181.db2.gz WOPFLJWDUSPCRF-UWVGGRQHSA-N 1 0 201.335 1.372 50 0 BDAARO COc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000304405730 644903745 /nfs/dbraw/zinc/90/37/45/644903745.db2.gz OWTRUDKIKTXQAU-MNOVXSKESA-N 1 0 216.284 1.998 50 0 BDAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000725359338 711663845 /nfs/dbraw/zinc/66/38/45/711663845.db2.gz OEWVCMJXNWDBHV-XVMARJQXSA-N 1 0 225.210 1.465 50 0 BDAARO COCC1(C[NH2+][C@H]2CN3CCC2CC3)CCC1 ZINC000310386665 711767683 /nfs/dbraw/zinc/76/76/83/711767683.db2.gz HVTRVZYIIRUACZ-ZDUSSCGKSA-N 1 0 238.375 1.487 50 0 BDAARO CN(C)c1ncccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000828627106 712685520 /nfs/dbraw/zinc/68/55/20/712685520.db2.gz WEDKDWTWMQOFGW-STQMWFEESA-N 1 0 249.358 1.541 50 0 BDAARO CC(C)(CC[N@@H+]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000585090623 972134394 /nfs/dbraw/zinc/13/43/94/972134394.db2.gz CCNZJOCNCUEXCC-JTQLQIEISA-N 1 0 224.348 1.620 50 0 BDAARO C[N@H+](CCCO)CCCc1cccnc1 ZINC000585116909 972146810 /nfs/dbraw/zinc/14/68/10/972146810.db2.gz MDNYBTLRTWULHX-UHFFFAOYSA-N 1 0 208.305 1.328 50 0 BDAARO Cn1ccnc(-c2cccc(C[NH+](C)C)c2)c1=O ZINC000585120460 972150769 /nfs/dbraw/zinc/15/07/69/972150769.db2.gz OMSFGQKVZWFSTO-UHFFFAOYSA-N 1 0 243.310 1.509 50 0 BDAARO Cc1[nH]nc2c1C[N@H+](CCCn1ccnc1)CC2 ZINC001506420061 964493099 /nfs/dbraw/zinc/49/30/99/964493099.db2.gz RZWRXSWRBMGYCF-UHFFFAOYSA-N 1 0 245.330 1.363 50 0 BDAARO c1cn(CC2(C[NH2+][C@@H]3CCCOC3)CC2)cn1 ZINC000820408715 968473060 /nfs/dbraw/zinc/47/30/60/968473060.db2.gz FLRLGHMLJMGNMK-GFCCVEGCSA-N 1 0 235.331 1.432 50 0 BDAARO CC(C)[C@H]1CCC[N@H+](CCn2cnnc2)C1 ZINC000820759408 968480027 /nfs/dbraw/zinc/48/00/27/968480027.db2.gz GSZVEVIFTRZJNK-LBPRGKRZSA-N 1 0 222.336 1.646 50 0 BDAARO CC[C@@H](C)[N@H+](C)C[C@H]1CC(=O)N(CC)C1 ZINC000822623324 968530828 /nfs/dbraw/zinc/53/08/28/968530828.db2.gz NSLXZJVCPZPVEN-GHMZBOCLSA-N 1 0 212.337 1.585 50 0 BDAARO CCNC(=O)[C@H]1CC[N@H+](CCCn2cccc2)C1 ZINC000823123360 968537803 /nfs/dbraw/zinc/53/78/03/968537803.db2.gz LLYCPUZEFVHYEF-ZDUSSCGKSA-N 1 0 249.358 1.336 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc2nsnc2c1 ZINC000824344086 968594794 /nfs/dbraw/zinc/59/47/94/968594794.db2.gz GRMPECCVQLOCDS-QMMMGPOBSA-N 1 0 237.328 1.816 50 0 BDAARO Cc1cc(C)nc(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000585651677 973922048 /nfs/dbraw/zinc/92/20/48/973922048.db2.gz PCBRWCFISHKTLD-GFCCVEGCSA-N 1 0 233.315 1.566 50 0 BDAARO Cc1nccc(OC[C@H]2CCC[N@H+]2C)n1 ZINC000585652791 973928179 /nfs/dbraw/zinc/92/81/79/973928179.db2.gz WQUBUWINRGMFEG-SNVBAGLBSA-N 1 0 207.277 1.258 50 0 BDAARO CC[N@H+](C)[C@H](C)CC(=O)NCCc1ccccn1 ZINC000952869758 974052342 /nfs/dbraw/zinc/05/23/42/974052342.db2.gz ZVYPOYAYRBNYLO-GFCCVEGCSA-N 1 0 249.358 1.471 50 0 BDAARO Cc1cc(C)cc(-n2ncnc2CCC[NH3+])c1 ZINC000952874101 974057511 /nfs/dbraw/zinc/05/75/11/974057511.db2.gz VJFBHCOVJUOSDC-UHFFFAOYSA-N 1 0 230.315 1.775 50 0 BDAARO CCC[N@@H+]1CCCN(Cc2cnc(C)cn2)CC1 ZINC001506399749 988771008 /nfs/dbraw/zinc/77/10/08/988771008.db2.gz QEQXJIAJAMIWEL-UHFFFAOYSA-N 1 0 248.374 1.703 50 0 BDAARO CN(C)c1ccnc(N[C@@H]2CCC[N@H+](C)C2)n1 ZINC001506412399 988779051 /nfs/dbraw/zinc/77/90/51/988779051.db2.gz YADHRLAHZYIGSQ-SNVBAGLBSA-N 1 0 235.335 1.049 50 0 BDAARO C[N@H+](C[C@H]1CCCO1)C1CSCCSC1 ZINC001506414191 988780947 /nfs/dbraw/zinc/78/09/47/988780947.db2.gz WQTXPONDBUWQBT-LLVKDONJSA-N 1 0 247.429 1.946 50 0 BDAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1cncnc1 ZINC001506415230 988781864 /nfs/dbraw/zinc/78/18/64/988781864.db2.gz MNGVLHSSNIVTGG-AWEZNQCLSA-N 1 0 248.374 1.783 50 0 BDAARO CN(C)c1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)ncn1 ZINC001506427622 988785654 /nfs/dbraw/zinc/78/56/54/988785654.db2.gz LNZXGSRGIYTFDM-GHMZBOCLSA-N 1 0 249.362 1.437 50 0 BDAARO COCCC[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001529186517 990335104 /nfs/dbraw/zinc/33/51/04/990335104.db2.gz GVENQNCLMFSZQT-GFCCVEGCSA-N 1 0 242.363 1.356 50 0 BDAARO CCc1nn(C)c(NC(=O)[C@@H]2C=CC[NH2+]2)c1CC ZINC001529185134 990335247 /nfs/dbraw/zinc/33/52/47/990335247.db2.gz KMXGXRXWMNXLIX-NSHDSACASA-N 1 0 248.330 1.011 50 0 BDAARO COC(=O)CCC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000234528761 343975758 /nfs/dbraw/zinc/97/57/58/343975758.db2.gz IJWPMOZAUYWHEL-KOLCDFICSA-N 1 0 215.293 1.097 50 0 BDAARO C[C@@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000299738684 136209608 /nfs/dbraw/zinc/20/96/08/136209608.db2.gz FFQIDPSXCZDTTK-WCQYABFASA-N 1 0 247.342 1.525 50 0 BDAARO [NH3+][C@H](CO)c1ccccc1Br ZINC000038124689 346809442 /nfs/dbraw/zinc/80/94/42/346809442.db2.gz VUSFGKBTMASDCO-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO Cc1cc(F)ccc1CC[NH2+][C@H](C)CC(N)=O ZINC000095423679 178083614 /nfs/dbraw/zinc/08/36/14/178083614.db2.gz QLXZHOKFDIRBFO-SNVBAGLBSA-N 1 0 238.306 1.530 50 0 BDAARO CC(=O)Nc1ccc(CN(C)[C@@H](C)C[NH3+])cc1 ZINC000097095616 187327472 /nfs/dbraw/zinc/32/74/72/187327472.db2.gz BKRAUQXIAFVCJH-JTQLQIEISA-N 1 0 235.331 1.424 50 0 BDAARO Clc1ccc(CNC2=[NH+]CCCCN2)cn1 ZINC000521396931 259304038 /nfs/dbraw/zinc/30/40/38/259304038.db2.gz IPQAQOHMWQSZNF-UHFFFAOYSA-N 1 0 238.722 1.564 50 0 BDAARO ClC1(Cl)C[C@H]1CNC1=[NH+]CCCCN1 ZINC000521396933 259304017 /nfs/dbraw/zinc/30/40/17/259304017.db2.gz ISIWNJUSRDQCJS-ZETCQYMHSA-N 1 0 236.146 1.509 50 0 BDAARO Cc1ccc(-c2ccc3nnc(C[NH3+])n3n2)cc1 ZINC000058021725 178325085 /nfs/dbraw/zinc/32/50/85/178325085.db2.gz SNKLZXQOABGCDC-UHFFFAOYSA-N 1 0 239.282 1.558 50 0 BDAARO Cc1ccc(-c2n[nH]cc2CNCC[NH3+])o1 ZINC000037712993 178331807 /nfs/dbraw/zinc/33/18/07/178331807.db2.gz CXWSYZAZAKVYKM-UHFFFAOYSA-N 1 0 220.276 1.026 50 0 BDAARO Cc1ccc(-n2nnnc2CSC(N)=[NH2+])cc1 ZINC000034927041 178350851 /nfs/dbraw/zinc/35/08/51/178350851.db2.gz SWKHSQJFFPSUPX-UHFFFAOYSA-N 1 0 248.315 1.097 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1C ZINC000158430116 178380925 /nfs/dbraw/zinc/38/09/25/178380925.db2.gz MOHILYANBJXRRZ-LLVKDONJSA-N 1 0 220.316 1.723 50 0 BDAARO Cc1ccc(C(=O)N2CCC[NH2+]CC2)cc1 ZINC000019679936 178388276 /nfs/dbraw/zinc/38/82/76/178388276.db2.gz RHXZEDYKRDPAOY-UHFFFAOYSA-N 1 0 218.300 1.431 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1F ZINC000041028277 178390218 /nfs/dbraw/zinc/39/02/18/178390218.db2.gz QSQFMXMPZNRLNR-NSHDSACASA-N 1 0 236.290 1.697 50 0 BDAARO CC(C)(O)[C@]1(C)[NH2+]CCc2ccccc21 ZINC000000090898 342673887 /nfs/dbraw/zinc/67/38/87/342673887.db2.gz KPHPOFHKJQMBSR-CYBMUJFWSA-N 1 0 205.301 1.818 50 0 BDAARO Cn1cc[n+](C)c1SC[C@H](O)c1ccccc1 ZINC000000331440 342683619 /nfs/dbraw/zinc/68/36/19/342683619.db2.gz FNCILXYOAYNHKV-LBPRGKRZSA-N 1 0 249.359 1.675 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccnc1 ZINC000036136126 538958887 /nfs/dbraw/zinc/95/88/87/538958887.db2.gz UUVCFGNAOUPLMA-QWHCGFSZSA-N 1 0 245.326 1.497 50 0 BDAARO CN(CC(=O)N1CCCC1=O)Cc1ccccc1 ZINC000000027591 342669952 /nfs/dbraw/zinc/66/99/52/342669952.db2.gz QGFVTSFXXKQHEZ-UHFFFAOYSA-N 1 0 246.310 1.267 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccccc1 ZINC000001646668 342707099 /nfs/dbraw/zinc/70/70/99/342707099.db2.gz ZDQCKWWIYRSDKD-UHFFFAOYSA-N 1 0 220.316 1.758 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccccc1Cl ZINC000004219123 342744652 /nfs/dbraw/zinc/74/46/52/342744652.db2.gz DCRQVNQTTSOOAI-VIFPVBQESA-N 1 0 213.664 1.903 50 0 BDAARO O=C([C@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000004287459 342745995 /nfs/dbraw/zinc/74/59/95/342745995.db2.gz RXLCUJOYUJWMPG-NSHDSACASA-N 1 0 210.321 1.389 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000004298865 342746236 /nfs/dbraw/zinc/74/62/36/342746236.db2.gz WKTWPAVCKXHOQH-VIFPVBQESA-N 1 0 213.664 1.903 50 0 BDAARO Cc1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000004559164 342749057 /nfs/dbraw/zinc/74/90/57/342749057.db2.gz AVADLZSBYLRYPU-UHFFFAOYSA-N 1 0 248.370 1.807 50 0 BDAARO C[C@@H](O)C[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000002879680 342727569 /nfs/dbraw/zinc/72/75/69/342727569.db2.gz NFFZATZVFAYFFR-LLVKDONJSA-N 1 0 235.327 1.525 50 0 BDAARO Cn1ccnc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000003888550 342739129 /nfs/dbraw/zinc/73/91/29/342739129.db2.gz FBLUMZZMIGPTBP-SNVBAGLBSA-N 1 0 205.236 1.607 50 0 BDAARO CC[NH+](CC)CCOc1ccccc1N ZINC000004938432 342754831 /nfs/dbraw/zinc/75/48/31/342754831.db2.gz VILFREPJMKUFNS-UHFFFAOYSA-N 1 0 208.305 1.989 50 0 BDAARO O=C(c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000005569458 342766305 /nfs/dbraw/zinc/76/63/05/342766305.db2.gz IHSZLKAMJQHQOS-UHFFFAOYSA-N 1 0 224.691 1.385 50 0 BDAARO Cc1occc1C(=O)NC1CC[NH+](C)CC1 ZINC000004750214 342751530 /nfs/dbraw/zinc/75/15/30/342751530.db2.gz UILUKJODZRPRIF-UHFFFAOYSA-N 1 0 222.288 1.412 50 0 BDAARO COc1cc(C=O)ccc1OCC[NH+](C)C ZINC000006681928 342780907 /nfs/dbraw/zinc/78/09/07/342780907.db2.gz NVRBLARAKLUVLA-UHFFFAOYSA-N 1 0 223.272 1.448 50 0 BDAARO C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000006730786 342781710 /nfs/dbraw/zinc/78/17/10/342781710.db2.gz HURRTLQDMRVWKP-UHFFFAOYSA-N 1 0 239.363 1.713 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000250588198 398296686 /nfs/dbraw/zinc/29/66/86/398296686.db2.gz IKTNEZKFSOMQJI-DCAQKATOSA-N 1 0 240.347 1.981 50 0 BDAARO C[NH2+]Cc1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000066112913 539028067 /nfs/dbraw/zinc/02/80/67/539028067.db2.gz ZRZTVLBEPXFVRT-UHFFFAOYSA-N 1 0 217.272 1.805 50 0 BDAARO CC(C)(C)OC(=O)Nc1ccc(C[NH3+])cn1 ZINC000012359567 342849965 /nfs/dbraw/zinc/84/99/65/342849965.db2.gz DFLQTVPEIMTXSZ-UHFFFAOYSA-N 1 0 223.276 1.887 50 0 in-vitro BDAARO O=C(C[NH+]1CCCC1)NCCc1ccccc1 ZINC000013323260 342865793 /nfs/dbraw/zinc/86/57/93/342865793.db2.gz SOSBPTXPFSUWJP-UHFFFAOYSA-N 1 0 232.327 1.441 50 0 BDAARO CN1CC(N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000059823430 342869758 /nfs/dbraw/zinc/86/97/58/342869758.db2.gz LUIRRRHTHZWOCZ-UHFFFAOYSA-N 1 0 245.370 1.118 50 0 BDAARO C[N@H+](Cc1ccncc1)C1(C(N)=O)CCCC1 ZINC000093214861 398313766 /nfs/dbraw/zinc/31/37/66/398313766.db2.gz JEKANXSBFUVYKL-UHFFFAOYSA-N 1 0 233.315 1.312 50 0 BDAARO C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000016602778 342913364 /nfs/dbraw/zinc/91/33/64/342913364.db2.gz IKQUTAOZTFUBSY-UHFFFAOYSA-N 1 0 236.290 1.650 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000219748585 342902977 /nfs/dbraw/zinc/90/29/77/342902977.db2.gz XEQHRWWXHQEZHN-RYBZSIHZSA-N 1 0 234.274 1.399 50 0 BDAARO COC(=O)CC[NH2+]Cc1ccccc1Cl ZINC000019736866 342955700 /nfs/dbraw/zinc/95/57/00/342955700.db2.gz AFYMYRCGBNJAEE-UHFFFAOYSA-N 1 0 227.691 1.993 50 0 BDAARO COc1ccc(CCN2CC[NH2+]CC2)cc1 ZINC000019801179 342958215 /nfs/dbraw/zinc/95/82/15/342958215.db2.gz AEKYWULYABXXHF-UHFFFAOYSA-N 1 0 220.316 1.143 50 0 BDAARO CCCc1cc(=O)[nH]c(SCC[NH3+])n1 ZINC000019811120 342958683 /nfs/dbraw/zinc/95/86/83/342958683.db2.gz MBBHKANOFISDRX-UHFFFAOYSA-N 1 0 213.306 1.186 50 0 BDAARO CC1(C)C[C@@H]([NH2+]CC2OCCO2)C(C)(C)O1 ZINC000097103349 344021392 /nfs/dbraw/zinc/02/13/92/344021392.db2.gz MSTCMGOPTLDIDS-SECBINFHSA-N 1 0 229.320 1.295 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000020285475 342980717 /nfs/dbraw/zinc/98/07/17/342980717.db2.gz OCZXOWATVOYDFC-RKDXNWHRSA-N 1 0 219.206 1.480 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000020285481 342980801 /nfs/dbraw/zinc/98/08/01/342980801.db2.gz OCZXOWATVOYDFC-BDAKNGLRSA-N 1 0 219.206 1.480 50 0 BDAARO O=C(c1ccc(F)cc1Cl)N1CC[NH2+]CC1 ZINC000021952316 343029580 /nfs/dbraw/zinc/02/95/80/343029580.db2.gz VWIIKYCGMFUEGT-UHFFFAOYSA-N 1 0 242.681 1.525 50 0 BDAARO CN(C)[C@H](C[NH3+])c1c(F)cccc1F ZINC000022173287 343043037 /nfs/dbraw/zinc/04/30/37/343043037.db2.gz LVMBNFUVGSAFBU-SECBINFHSA-N 1 0 200.232 1.526 50 0 BDAARO [NH3+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000022566536 343051888 /nfs/dbraw/zinc/05/18/88/343051888.db2.gz XFEGNZMHRVQREQ-GFCCVEGCSA-N 1 0 214.268 1.548 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000023280685 343063128 /nfs/dbraw/zinc/06/31/28/343063128.db2.gz WRDSOJMIIPSFKM-CYBMUJFWSA-N 1 0 235.327 1.960 50 0 BDAARO COC(=O)CCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043426022 343067004 /nfs/dbraw/zinc/06/70/04/343067004.db2.gz QLVOZDAMDXCEMB-RYUDHWBXSA-N 1 0 241.331 1.583 50 0 BDAARO C/C=C/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252512785 187234017 /nfs/dbraw/zinc/23/40/17/187234017.db2.gz VOZHTLGDLGETLF-DLUXLCHLSA-N 1 0 234.343 1.814 50 0 BDAARO COc1cc(CN2CC[NH+](C)CC2)ccc1O ZINC000019536851 343141575 /nfs/dbraw/zinc/14/15/75/343141575.db2.gz BKYAUROCOILCFE-UHFFFAOYSA-N 1 0 236.315 1.148 50 0 BDAARO CC(C)(C)OC(=O)NCC(C)(C)C[NH3+] ZINC000002572709 187246375 /nfs/dbraw/zinc/24/63/75/187246375.db2.gz QLPCQDZWRXWROH-UHFFFAOYSA-N 1 0 202.298 1.496 50 0 BDAARO COc1ccc(Cl)cc1NC(=O)CN(C)C ZINC000008122221 187248609 /nfs/dbraw/zinc/24/86/09/187248609.db2.gz ISNRTFHKQRCMKI-UHFFFAOYSA-N 1 0 242.706 1.849 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+][C@@H]2C1 ZINC000030678148 343193204 /nfs/dbraw/zinc/19/32/04/343193204.db2.gz NYGXZCRPVBPJTA-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO Brc1nc2c(s1)C[NH2+]CC2 ZINC000030678269 343193509 /nfs/dbraw/zinc/19/35/09/343193509.db2.gz UIBFPUKBRPPEBC-UHFFFAOYSA-N 1 0 219.107 1.551 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000011958445 187250677 /nfs/dbraw/zinc/25/06/77/187250677.db2.gz NTNPSBQLMFHLCP-ZDUSSCGKSA-N 1 0 232.327 1.555 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N(C)CCc1ccncc1 ZINC000011805454 187250865 /nfs/dbraw/zinc/25/08/65/187250865.db2.gz HKYIQKAMLOITOW-LBPRGKRZSA-N 1 0 235.331 1.066 50 0 BDAARO CC(C)(C)OC(=O)NC1CC2(C[NH2+]C2)C1 ZINC000032629369 343239254 /nfs/dbraw/zinc/23/92/54/343239254.db2.gz CBYPCXLWNJUVLF-UHFFFAOYSA-N 1 0 212.293 1.263 50 0 BDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC2)C1 ZINC000072304815 343244657 /nfs/dbraw/zinc/24/46/57/343244657.db2.gz PPDISSDDXBCSBR-JTQLQIEISA-N 1 0 225.336 1.132 50 0 BDAARO Fc1ccc(F)c2c1O[C@@H]1C[NH2+]C[C@H]1O2 ZINC000034084428 343264192 /nfs/dbraw/zinc/26/41/92/343264192.db2.gz GYKCNGKCSFNDLB-HTQZYQBOSA-N 1 0 213.183 1.076 50 0 BDAARO COC(=O)C[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034624262 343276306 /nfs/dbraw/zinc/27/63/06/343276306.db2.gz YHEMYXIJYAOAST-CYBMUJFWSA-N 1 0 248.326 1.024 50 0 BDAARO OCC[NH2+]Cc1cc(Br)cs1 ZINC000020305935 187254195 /nfs/dbraw/zinc/25/41/95/187254195.db2.gz OJWIDTYBTFROLT-UHFFFAOYSA-N 1 0 236.134 1.593 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000036872620 343325915 /nfs/dbraw/zinc/32/59/15/343325915.db2.gz CXTITQMOQKFTEG-JTQLQIEISA-N 1 0 238.356 1.760 50 0 BDAARO [NH3+][C@@H]1COc2cc(Br)ccc21 ZINC000035269864 343291270 /nfs/dbraw/zinc/29/12/70/343291270.db2.gz VXHJNJHULJJTSD-SSDOTTSWSA-N 1 0 214.062 1.841 50 0 BDAARO C[C@H](CO)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000035602162 343299328 /nfs/dbraw/zinc/29/93/28/343299328.db2.gz WIZHUUSXTOOWCZ-HIFRSBDPSA-N 1 0 248.370 1.621 50 0 BDAARO [NH3+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000036379534 343317076 /nfs/dbraw/zinc/31/70/76/343317076.db2.gz AITOIMRCVCWDAG-UHFFFAOYSA-N 1 0 213.284 1.820 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000037719743 343352343 /nfs/dbraw/zinc/35/23/43/343352343.db2.gz FUVIFJVRKBGPQG-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH3+])C1 ZINC000036532968 187259444 /nfs/dbraw/zinc/25/94/44/187259444.db2.gz PGBVMVTUWHCOHX-YUMQZZPRSA-N 1 0 200.282 1.391 50 0 BDAARO O=C(C[NH+]1CCCC1)NCc1ccc(F)cc1 ZINC000040460331 343404559 /nfs/dbraw/zinc/40/45/59/343404559.db2.gz HTMIULHVHKSFCF-UHFFFAOYSA-N 1 0 236.290 1.538 50 0 BDAARO [NH3+][C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000041027967 343412291 /nfs/dbraw/zinc/41/22/91/343412291.db2.gz FTMDHWHJMQDICM-CYBMUJFWSA-N 1 0 216.328 1.577 50 0 BDAARO CC(C)(C)OC(=O)N(CC[NH3+])C1CC1 ZINC000041056799 343414271 /nfs/dbraw/zinc/41/42/71/343414271.db2.gz VTPMKZZRRCKGMQ-UHFFFAOYSA-N 1 0 200.282 1.345 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C2)C1 ZINC000042750235 343450802 /nfs/dbraw/zinc/45/08/02/343450802.db2.gz BGUYAMZPJMTFRU-UHFFFAOYSA-N 1 0 212.293 1.217 50 0 BDAARO O=C(OC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000042769419 343451208 /nfs/dbraw/zinc/45/12/08/343451208.db2.gz VZGXINACTBQWDZ-LLVKDONJSA-N 1 0 219.284 1.843 50 0 BDAARO Clc1cncc(O[C@@H]2CCC[NH2+]C2)n1 ZINC000042783007 343453042 /nfs/dbraw/zinc/45/30/42/343453042.db2.gz KRWMLDQTGAPQPU-SSDOTTSWSA-N 1 0 213.668 1.261 50 0 BDAARO COC(=O)CCSC1CC[NH2+]CC1 ZINC000043501281 343475871 /nfs/dbraw/zinc/47/58/71/343475871.db2.gz VQAAYGSCMWBXOY-UHFFFAOYSA-N 1 0 203.307 1.035 50 0 BDAARO [NH3+][C@H](CO)Cc1ccc2ccccc2n1 ZINC000044464165 343501809 /nfs/dbraw/zinc/50/18/09/343501809.db2.gz BRYUBCDFOCHSBZ-JTQLQIEISA-N 1 0 202.257 1.097 50 0 BDAARO CC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000044872759 187268232 /nfs/dbraw/zinc/26/82/32/187268232.db2.gz CGNLUUZBVCLLSS-UHFFFAOYSA-N 1 0 238.356 1.802 50 0 BDAARO C[N@@H+]1CC=C(c2ccccc2)[C@@H](CO)C1 ZINC000000525622 346977742 /nfs/dbraw/zinc/97/77/42/346977742.db2.gz XEKJYZSYCTXLJX-GFCCVEGCSA-N 1 0 203.285 1.624 50 0 biogenic BDAARO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069737184 187275112 /nfs/dbraw/zinc/27/51/12/187275112.db2.gz GPDBGZGOZCANGZ-VXGBXAGGSA-N 1 0 242.363 1.089 50 0 BDAARO CC(C)(C)c1cc(=O)[nH]c(C(C)(C)[NH3+])n1 ZINC000070948583 187275523 /nfs/dbraw/zinc/27/55/23/187275523.db2.gz OPOMPYQIUSVHKV-UHFFFAOYSA-N 1 0 209.293 1.261 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]CC12CC2 ZINC000082359804 187281869 /nfs/dbraw/zinc/28/18/69/187281869.db2.gz WQGYWNKRILAFJG-VIFPVBQESA-N 1 0 226.320 1.653 50 0 BDAARO CC(C)(C)c1nnc(NC[C@@H]2C[C@H](F)C[NH2+]2)o1 ZINC000095355933 187286564 /nfs/dbraw/zinc/28/65/64/187286564.db2.gz RXFSXIOHGKGXTH-YUMQZZPRSA-N 1 0 242.298 1.479 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000052998663 187358567 /nfs/dbraw/zinc/35/85/67/187358567.db2.gz BYASEMZZVLYBTN-SNVBAGLBSA-N 1 0 236.290 1.555 50 0 BDAARO CCC1(C[NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000095742727 168466423 /nfs/dbraw/zinc/46/64/23/168466423.db2.gz UMIOUCAYFXZLSB-UHFFFAOYSA-N 1 0 214.309 1.592 50 0 BDAARO COc1ccc2[nH]c(C)c(C(N)=[NH2+])c2c1 ZINC000084290552 187285959 /nfs/dbraw/zinc/28/59/59/187285959.db2.gz MEWJYDJFAAUCFC-UHFFFAOYSA-N 1 0 203.245 1.769 50 0 BDAARO CNc1ncccc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092669326 344300998 /nfs/dbraw/zinc/30/09/98/344300998.db2.gz IPWXSOWWGFHXTC-ZDUSSCGKSA-N 1 0 248.374 1.649 50 0 BDAARO CCN1CCC([NH2+][C@H](C)COC)CC1 ZINC000000279667 344674624 /nfs/dbraw/zinc/67/46/24/344674624.db2.gz POMCNNIJHZKCTF-SNVBAGLBSA-N 1 0 200.326 1.095 50 0 BDAARO COCc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237204782 187294030 /nfs/dbraw/zinc/29/40/30/187294030.db2.gz YLWQGIFVEFWQBL-GFCCVEGCSA-N 1 0 234.299 1.006 50 0 BDAARO CC(=O)N1CC[C@@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000409421013 344968893 /nfs/dbraw/zinc/96/88/93/344968893.db2.gz WYRBAVULKXPBNA-GFCCVEGCSA-N 1 0 247.342 1.937 50 0 BDAARO O[C@H]1C[N@@H+]2CC[C@H]1[C@H](c1ccccc1)C2 ZINC000239184829 345135726 /nfs/dbraw/zinc/13/57/26/345135726.db2.gz RBDNCVMVYPEQHO-AVGNSLFASA-N 1 0 203.285 1.467 50 0 BDAARO Cc1c(-c2ccco2)[n+](=O)c2c(n1O)CCC2 ZINC000103943664 187302115 /nfs/dbraw/zinc/30/21/15/187302115.db2.gz GBOZXDXAUIDLRU-UHFFFAOYSA-N 1 0 233.247 1.697 50 0 BDAARO Cc1ccc([C@H]([NH3+])[C@@H](C)S(C)(=O)=O)cc1 ZINC000054930019 178908353 /nfs/dbraw/zinc/90/83/53/178908353.db2.gz CIGPVICRESLYOY-MWLCHTKSSA-N 1 0 227.329 1.428 50 0 BDAARO CC(C)CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000095466162 345686378 /nfs/dbraw/zinc/68/63/78/345686378.db2.gz RIASLJFEEIQWNZ-QWHCGFSZSA-N 1 0 238.375 1.975 50 0 BDAARO Cc1ccc(COC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000016578876 187311193 /nfs/dbraw/zinc/31/11/93/187311193.db2.gz GCPZUFJLSKPLEJ-HNNXBMFYSA-N 1 0 249.354 1.968 50 0 BDAARO OC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCOC1 ZINC000685939742 537929018 /nfs/dbraw/zinc/92/90/18/537929018.db2.gz JXIGOEAJPYWIOG-JSGCOSHPSA-N 1 0 233.311 1.367 50 0 BDAARO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CN1C ZINC000685939687 537929643 /nfs/dbraw/zinc/92/96/43/537929643.db2.gz SBOGPHNXAYIKSA-NZEXEKPDSA-N 1 0 238.375 1.482 50 0 BDAARO [NH3+][C@@H]1Cc2n[nH]cc2[C@@H](C(F)(F)F)C1 ZINC000685944679 537935314 /nfs/dbraw/zinc/93/53/14/537935314.db2.gz NYGXCMYDQWYVCJ-NJGYIYPDSA-N 1 0 205.183 1.329 50 0 BDAARO Cc1ccc2cc(CC[NH3+])c(=O)[nH]c2c1C ZINC000011980426 178969697 /nfs/dbraw/zinc/96/96/97/178969697.db2.gz BUBUVLZMLYBAOE-UHFFFAOYSA-N 1 0 216.284 1.646 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000044541213 179009062 /nfs/dbraw/zinc/00/90/62/179009062.db2.gz BLBJITRSQBAXNJ-ZDUSSCGKSA-N 1 0 232.327 1.948 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1F ZINC000132057774 179011531 /nfs/dbraw/zinc/01/15/31/179011531.db2.gz MHQRBWCWXYORGJ-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1F ZINC000132057559 179011638 /nfs/dbraw/zinc/01/16/38/179011638.db2.gz MHQRBWCWXYORGJ-SNVBAGLBSA-N 1 0 236.290 1.555 50 0 BDAARO Cc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000019397371 179024579 /nfs/dbraw/zinc/02/45/79/179024579.db2.gz AOWXTJYYHCPPEP-LBPRGKRZSA-N 1 0 218.300 1.477 50 0 BDAARO COc1nc(C)nc2c(C[NH+](C)C)c(C)[nH]c21 ZINC000005576753 346267975 /nfs/dbraw/zinc/26/79/75/346267975.db2.gz DJSQWFGYHHJZLZ-UHFFFAOYSA-N 1 0 234.303 1.645 50 0 BDAARO CC(C)[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000057211684 187319330 /nfs/dbraw/zinc/31/93/30/187319330.db2.gz GRBVRTYARQVQCC-LBPRGKRZSA-N 1 0 206.289 1.459 50 0 BDAARO Cc1cccc(CC2(O)CC[NH2+]CC2)c1 ZINC000041213809 179052159 /nfs/dbraw/zinc/05/21/59/179052159.db2.gz JXWXLLSRHWVLBW-UHFFFAOYSA-N 1 0 205.301 1.652 50 0 BDAARO Cc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000004989163 179074967 /nfs/dbraw/zinc/07/49/67/179074967.db2.gz GJBBRVSFZUVHOU-UHFFFAOYSA-N 1 0 232.327 1.692 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]C[C@H]1F ZINC000148821302 346504854 /nfs/dbraw/zinc/50/48/54/346504854.db2.gz UMQUBAWDZABAPY-HTQZYQBOSA-N 1 0 218.272 1.069 50 0 BDAARO Cc1cccc(N2C[C@H](C[NH3+])OC2=O)c1 ZINC000019669041 179123851 /nfs/dbraw/zinc/12/38/51/179123851.db2.gz LXWOHVWKOWVRON-JTQLQIEISA-N 1 0 206.245 1.279 50 0 BDAARO CC[N@@H+](CC(N)=O)C[C@H]1C(C)=CCC[C@H]1C ZINC000188073912 346735598 /nfs/dbraw/zinc/73/55/98/346735598.db2.gz ITCUOPUXRWXGAD-NEPJUHHUSA-N 1 0 224.348 1.786 50 0 BDAARO Cc1cccc(OCC2CC[NH2+]CC2)n1 ZINC000051869915 179164556 /nfs/dbraw/zinc/16/45/56/179164556.db2.gz HUARMQNULSLANA-UHFFFAOYSA-N 1 0 206.289 1.768 50 0 BDAARO Cc1cccc([C@H]2CCCN2C(=O)[C@H](C)[NH3+])n1 ZINC000157547814 179203098 /nfs/dbraw/zinc/20/30/98/179203098.db2.gz FKUGJVBUFUXKJF-CMPLNLGQSA-N 1 0 233.315 1.401 50 0 BDAARO Cn1cccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000004389311 347359906 /nfs/dbraw/zinc/35/99/06/347359906.db2.gz QNQGSZYRUQFAMW-MRVPVSSYSA-N 1 0 222.210 1.038 50 0 BDAARO Cc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000071412530 179250899 /nfs/dbraw/zinc/25/08/99/179250899.db2.gz RERKKDQOIMEIFU-DGCLKSJQSA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058215851 179252675 /nfs/dbraw/zinc/25/26/75/179252675.db2.gz MWFLUEUNSCAHBJ-LBPRGKRZSA-N 1 0 244.338 1.962 50 0 BDAARO Cc1ccccc1C(C)(C)CNC(=O)[C@H](C)[NH3+] ZINC000083910287 179253972 /nfs/dbraw/zinc/25/39/72/179253972.db2.gz PBVBSMHWQZULPZ-NSHDSACASA-N 1 0 234.343 1.736 50 0 BDAARO Cc1ccccc1CC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000071412702 179260813 /nfs/dbraw/zinc/26/08/13/179260813.db2.gz WLDZWTJFPVHMHO-OCCSQVGLSA-N 1 0 246.354 1.652 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000195554200 347638367 /nfs/dbraw/zinc/63/83/67/347638367.db2.gz HOSUZHBZMRYVRV-LLVKDONJSA-N 1 0 224.304 1.756 50 0 BDAARO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000195554369 347638714 /nfs/dbraw/zinc/63/87/14/347638714.db2.gz UUAVANWXXWCDMM-MDZLAQPJSA-N 1 0 248.326 1.322 50 0 BDAARO Cn1cnnc1SCCC[NH+]1CCCCC1 ZINC000195570137 347647117 /nfs/dbraw/zinc/64/71/17/347647117.db2.gz YCQYJRHMWGKRBG-UHFFFAOYSA-N 1 0 240.376 1.783 50 0 BDAARO Cc1ccc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)nc1 ZINC000195573589 347648113 /nfs/dbraw/zinc/64/81/13/347648113.db2.gz JBASBJQLIWSLFN-NSHDSACASA-N 1 0 235.331 1.380 50 0 BDAARO Cc1ccccc1C[NH2+]CC[S@@](C)=O ZINC000089689375 179281181 /nfs/dbraw/zinc/28/11/81/179281181.db2.gz JXOGPAZGYMXUDR-AWEZNQCLSA-N 1 0 211.330 1.463 50 0 BDAARO Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000006681864 179302038 /nfs/dbraw/zinc/30/20/38/179302038.db2.gz JJVADTHCQFEPKM-NSHDSACASA-N 1 0 204.273 1.686 50 0 BDAARO Cc1ccccc1NC1CC[NH+](CCO)CC1 ZINC000096451987 179304550 /nfs/dbraw/zinc/30/45/50/179304550.db2.gz FJGDHHSWHYVMCT-UHFFFAOYSA-N 1 0 234.343 1.864 50 0 BDAARO Cc1ccccc1OCCCNC(N)=[NH2+] ZINC000071510536 179308885 /nfs/dbraw/zinc/30/88/85/179308885.db2.gz MDGFNRROGVSONO-UHFFFAOYSA-N 1 0 207.277 1.247 50 0 BDAARO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019503208 179313116 /nfs/dbraw/zinc/31/31/16/179313116.db2.gz HDAIQFWPPDZQKO-GFCCVEGCSA-N 1 0 248.326 1.194 50 0 BDAARO Cc1ccccc1[C@H](C[NH3+])N1CCOCC1 ZINC000019201755 179341638 /nfs/dbraw/zinc/34/16/38/179341638.db2.gz LIARICFYQNWNPY-ZDUSSCGKSA-N 1 0 220.316 1.327 50 0 BDAARO Cc1ccccc1[C@H]([NH3+])c1nccn1C ZINC000011735286 179343248 /nfs/dbraw/zinc/34/32/48/179343248.db2.gz ATFKCVQCMOZUAS-NSHDSACASA-N 1 0 201.273 1.777 50 0 BDAARO Cc1cccnc1NC(=O)C1CC[NH2+]CC1 ZINC000019814060 179387983 /nfs/dbraw/zinc/38/79/83/179387983.db2.gz KALKIJXYAIIASF-UHFFFAOYSA-N 1 0 219.288 1.328 50 0 BDAARO Cc1cccnc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019814063 179392174 /nfs/dbraw/zinc/39/21/74/179392174.db2.gz ZKSOLNKGNCPIGL-SNVBAGLBSA-N 1 0 219.288 1.328 50 0 BDAARO Cc1cnc(C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000046855212 179575211 /nfs/dbraw/zinc/57/52/11/179575211.db2.gz QXONUZZYGCXTPO-UHFFFAOYSA-N 1 0 248.330 1.001 50 0 BDAARO CC[NH+]1CCC(O)(c2cnc(F)c(C)c2)CC1 ZINC000216707402 350011483 /nfs/dbraw/zinc/01/14/83/350011483.db2.gz RDWGMURHTQCKNB-UHFFFAOYSA-N 1 0 238.306 1.832 50 0 BDAARO Cn1cncc1[C@@H]1[C@@H](C[NH3+])CCCN1C1CC1 ZINC000090166652 191001116 /nfs/dbraw/zinc/00/11/16/191001116.db2.gz ZOZIDWDWOURKED-MFKMUULPSA-N 1 0 234.347 1.294 50 0 BDAARO Cc1nc(-c2ccncc2)cc(NN)[nH+]1 ZINC000051353982 180020913 /nfs/dbraw/zinc/02/09/13/180020913.db2.gz RJBBALILVGBANV-UHFFFAOYSA-N 1 0 201.233 1.133 50 0 BDAARO COC(=O)NC(=O)C[NH+]1CCCCCCC1 ZINC000007486764 538057136 /nfs/dbraw/zinc/05/71/36/538057136.db2.gz YNEPVSDMJCXEIK-UHFFFAOYSA-N 1 0 228.292 1.135 50 0 BDAARO CC(C)[NH+](C[C@]1(O)CCCN(C)C1)C(C)C ZINC000041123525 191064062 /nfs/dbraw/zinc/06/40/62/191064062.db2.gz ZDDZIJUZCWWYSS-ZDUSSCGKSA-N 1 0 228.380 1.562 50 0 BDAARO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(C)O ZINC000604765626 350185594 /nfs/dbraw/zinc/18/55/94/350185594.db2.gz VJSRBMFWYDUXJW-VIFPVBQESA-N 1 0 233.315 1.812 50 0 BDAARO Cc1nccn1CCC[N@@H+](C)C[C@@H]1CCCO1 ZINC000125099662 180235506 /nfs/dbraw/zinc/23/55/06/180235506.db2.gz SFXATXJDUVZZAW-ZDUSSCGKSA-N 1 0 237.347 1.692 50 0 BDAARO CC(=O)c1cn(C2=[NH+]CCN2)c2ccc(C)cc12 ZINC000034507326 350266878 /nfs/dbraw/zinc/26/68/78/350266878.db2.gz CSALUMJEVPIRAK-UHFFFAOYSA-N 1 0 241.294 1.960 50 0 BDAARO CC1CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000601013353 350330049 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/nfs/dbraw/zinc/35/70/08/181357008.db2.gz QFWZRNZLPMDFNA-UHFFFAOYSA-N 1 0 213.280 1.881 50 0 BDAARO [NH3+]CCCCC(=O)OCc1ccccc1 ZINC000002560807 181373637 /nfs/dbraw/zinc/37/36/37/181373637.db2.gz ISJBOPRRDLXXCI-UHFFFAOYSA-N 1 0 207.273 1.859 50 0 in-vitro BDAARO [NH3+]CCCCC[C@]([NH3+])(C(=O)[O-])c1ccccc1 ZINC000012404578 181375098 /nfs/dbraw/zinc/37/50/98/181375098.db2.gz GXCSQSLTSHYQHE-CYBMUJFWSA-N 1 0 236.315 1.444 50 0 BDAARO [NH3+]CCCOc1cccc2cccnc21 ZINC000020297041 181384637 /nfs/dbraw/zinc/38/46/37/181384637.db2.gz MNYFCKIQWAXRBS-UHFFFAOYSA-N 1 0 202.257 1.962 50 0 BDAARO NC(=O)c1ccc(-c2ccccc2CC[NH3+])cc1 ZINC000067713479 181412783 /nfs/dbraw/zinc/41/27/83/181412783.db2.gz SJBLZMLUXUSQFF-UHFFFAOYSA-N 1 0 240.306 1.954 50 0 BDAARO [NH3+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000002032568 181423770 /nfs/dbraw/zinc/42/37/70/181423770.db2.gz RRBRWAPWPGAJMA-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO C[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000012923633 367929927 /nfs/dbraw/zinc/92/99/27/367929927.db2.gz PWXKZEOYIGIWCG-DGCLKSJQSA-N 1 0 232.327 1.945 50 0 BDAARO c1ccc2[nH]c(CCC[NH2+][C@H]3CCOC3)nc2c1 ZINC000088693796 368382848 /nfs/dbraw/zinc/38/28/48/368382848.db2.gz OISGABZDXHPYKA-NSHDSACASA-N 1 0 245.326 1.874 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]CC[S@](C)=O)C[C@H]1C ZINC000253369733 368939918 /nfs/dbraw/zinc/93/99/18/368939918.db2.gz HLOOXACEJIAOHT-PUHVVEEASA-N 1 0 217.378 1.779 50 0 BDAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1cccc1 ZINC000584887382 369036157 /nfs/dbraw/zinc/03/61/57/369036157.db2.gz ZBOAFKQMVVDOGU-ZDUSSCGKSA-N 1 0 249.358 1.431 50 0 BDAARO CCO[C@H]1COC[C@@H]1Nc1cc(C)[nH+]c(C)c1 ZINC000584888956 369037534 /nfs/dbraw/zinc/03/75/34/369037534.db2.gz QKFBJLLXMQCJOM-STQMWFEESA-N 1 0 236.315 1.336 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000237910652 181585896 /nfs/dbraw/zinc/58/58/96/181585896.db2.gz BTRMHJXMUVOYIQ-SNVBAGLBSA-N 1 0 248.301 1.417 50 0 BDAARO [NH3+][C@H](C(=O)NC[C@H]1CCCOC1)c1ccccc1 ZINC000038046110 181605793 /nfs/dbraw/zinc/60/57/93/181605793.db2.gz YXEAZUIVJHQOKF-YPMHNXCESA-N 1 0 248.326 1.229 50 0 BDAARO C[NH+](C)CCCOC(=O)C1(O)CCCCC1 ZINC000096026685 371381086 /nfs/dbraw/zinc/38/10/86/371381086.db2.gz ASOCDKJKNFXEGL-UHFFFAOYSA-N 1 0 229.320 1.177 50 0 BDAARO C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1F ZINC000067504845 372802654 /nfs/dbraw/zinc/80/26/54/372802654.db2.gz CUAKANFTPSACCD-JTQLQIEISA-N 1 0 234.278 1.596 50 0 BDAARO O=C(Cc1ccccc1)OC[C@H]1CC[NH2+]C1 ZINC000042768774 182044499 /nfs/dbraw/zinc/04/44/99/182044499.db2.gz QIOVMJIPKJFFOD-LBPRGKRZSA-N 1 0 219.284 1.382 50 0 BDAARO CC(C)=CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000069509132 373333155 /nfs/dbraw/zinc/33/31/55/373333155.db2.gz FKJSFZIRCGMALS-MNOVXSKESA-N 1 0 210.321 1.538 50 0 BDAARO O=C(NCC1C[NH2+]C1)OCc1ccccc1 ZINC000033414757 182147895 /nfs/dbraw/zinc/14/78/95/182147895.db2.gz RNPDRAJKEJXSMC-UHFFFAOYSA-N 1 0 220.272 1.132 50 0 BDAARO O=C(NCC[NH+]1CCCC1)c1cc(C2CC2)on1 ZINC000065434663 182184716 /nfs/dbraw/zinc/18/47/16/182184716.db2.gz IOAOFEIJPNCJOV-UHFFFAOYSA-N 1 0 249.314 1.378 50 0 BDAARO O=C(NCCc1ccccc1)C1CC[NH2+]CC1 ZINC000004725457 182204470 /nfs/dbraw/zinc/20/44/70/182204470.db2.gz VCFBMPIDYRJPSW-UHFFFAOYSA-N 1 0 232.327 1.345 50 0 BDAARO O=C(NC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019263592 182236860 /nfs/dbraw/zinc/23/68/60/182236860.db2.gz CQDZPECTECONTE-GFCCVEGCSA-N 1 0 218.300 1.559 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000012649195 182238048 /nfs/dbraw/zinc/23/80/48/182238048.db2.gz UHPHWVPAQZJMDO-GFCCVEGCSA-N 1 0 234.299 1.665 50 0 BDAARO O=C(NCc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000020473678 182254581 /nfs/dbraw/zinc/25/45/81/182254581.db2.gz LBYRYQXCRVMSSS-UHFFFAOYSA-N 1 0 236.290 1.442 50 0 BDAARO O=C(NCc1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000062112369 182250710 /nfs/dbraw/zinc/25/07/10/182250710.db2.gz RJUXTJGBTSDAFT-SNVBAGLBSA-N 1 0 222.263 1.051 50 0 BDAARO O=C(NCc1ccco1)[C@H]1CCCC[NH2+]1 ZINC000019411795 182263582 /nfs/dbraw/zinc/26/35/82/182263582.db2.gz PDTHIKSQKDLHNY-SNVBAGLBSA-N 1 0 208.261 1.038 50 0 BDAARO O=C(NCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000070251844 182255892 /nfs/dbraw/zinc/25/58/92/182255892.db2.gz JSXMLZRAZZKYTC-CYBMUJFWSA-N 1 0 244.338 1.693 50 0 BDAARO c1ccc2[nH]c(CN3C[C@@H]4CC[NH2+][C@@H]4C3)nc2c1 ZINC000426582795 206050520 /nfs/dbraw/zinc/05/05/20/206050520.db2.gz IVOIGBDJAZBIJJ-GXFFZTMASA-N 1 0 242.326 1.357 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1cccc2c[nH]nc21 ZINC000238144933 182329039 /nfs/dbraw/zinc/32/90/39/182329039.db2.gz PBFWPRPASSWRBF-JTQLQIEISA-N 1 0 244.298 1.045 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1cccc(Cl)n1 ZINC000120255026 182329369 /nfs/dbraw/zinc/32/93/69/182329369.db2.gz NJZXGQDXCGALGG-QMMMGPOBSA-N 1 0 239.706 1.217 50 0 BDAARO O=C(Nc1cccnc1)C1CC[NH2+]CC1 ZINC000019412159 182382833 /nfs/dbraw/zinc/38/28/33/182382833.db2.gz FQMYDDPPTIVYDX-UHFFFAOYSA-N 1 0 205.261 1.020 50 0 BDAARO O=C1C[C@]2(CC[NH2+]C2)Oc2ccc(F)cc21 ZINC000036140989 182787876 /nfs/dbraw/zinc/78/78/76/182787876.db2.gz UFFKXSQGALUFOA-LBPRGKRZSA-N 1 0 221.231 1.523 50 0 BDAARO O=c1c(C(F)(F)F)cccn1C[C@H]1CC[NH2+]C1 ZINC000095529730 182983425 /nfs/dbraw/zinc/98/34/25/182983425.db2.gz HLBJXXSRCHQNPB-QMMMGPOBSA-N 1 0 246.232 1.477 50 0 BDAARO OC1(C[NH2+]Cc2ccc(F)cc2)CCOCC1 ZINC000112717010 183020037 /nfs/dbraw/zinc/02/00/37/183020037.db2.gz BDKKOKHMWLYKFP-UHFFFAOYSA-N 1 0 239.290 1.457 50 0 BDAARO OCCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000002545014 183056184 /nfs/dbraw/zinc/05/61/84/183056184.db2.gz QLTWYVLPFXWGIX-UHFFFAOYSA-N 1 0 248.370 1.623 50 0 BDAARO OCC[NH+](CCO)CC1CCCCCC1 ZINC000097140488 183065667 /nfs/dbraw/zinc/06/56/67/183065667.db2.gz JPOOSCCDBKRNOX-UHFFFAOYSA-N 1 0 215.337 1.243 50 0 BDAARO OCCN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019633211 183074549 /nfs/dbraw/zinc/07/45/49/183074549.db2.gz HKUXHSCFXIALMS-UHFFFAOYSA-N 1 0 248.370 1.229 50 0 BDAARO OCC[NH2+][C@@H]1CCc2cc3c(cc21)OCCO3 ZINC000095419460 183079508 /nfs/dbraw/zinc/07/95/08/183079508.db2.gz HHSOOBCAMUJCTA-LLVKDONJSA-N 1 0 235.283 1.027 50 0 BDAARO OCC[C@@H]1CNCC[N@@H+]1CC1CCCCC1 ZINC000019368003 183095317 /nfs/dbraw/zinc/09/53/17/183095317.db2.gz RMMAECHLDBFVPK-CYBMUJFWSA-N 1 0 226.364 1.223 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000069811715 183120408 /nfs/dbraw/zinc/12/04/08/183120408.db2.gz SIKNWAPLPNBUDM-JTQLQIEISA-N 1 0 211.330 1.747 50 0 BDAARO OC[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000012650450 183103937 /nfs/dbraw/zinc/10/39/37/183103937.db2.gz XDCCPZJVTGAGIX-CYBMUJFWSA-N 1 0 205.301 1.858 50 0 BDAARO OC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000098089093 183128344 /nfs/dbraw/zinc/12/83/44/183128344.db2.gz CAPQIHOUMBRMTA-GXSJLCMTSA-N 1 0 211.692 1.635 50 0 BDAARO OCc1cccc(CN2CCOCC2)c1 ZINC000020230812 183167522 /nfs/dbraw/zinc/16/75/22/183167522.db2.gz KFSCOCJCNMSXOK-UHFFFAOYSA-N 1 0 207.273 1.011 50 0 BDAARO O[C@@H]1CCCC[C@H]1[NH+]1CCN(C2CCC2)CC1 ZINC000309982564 183190084 /nfs/dbraw/zinc/19/00/84/183190084.db2.gz GVMGTTQVGPMPSI-ZIAGYGMSSA-N 1 0 238.375 1.460 50 0 BDAARO O[C@H](CN1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000020264163 183221527 /nfs/dbraw/zinc/22/15/27/183221527.db2.gz UQVMSTCAYUXCTA-GFCCVEGCSA-N 1 0 240.734 1.279 50 0 BDAARO O[C@H](C[n+]1ccccc1)c1ccccc1 ZINC000000337496 183227668 /nfs/dbraw/zinc/22/76/68/183227668.db2.gz ACVOAOZMIDJCBK-CYBMUJFWSA-N 1 0 200.261 1.708 50 0 BDAARO O[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000178942669 183239341 /nfs/dbraw/zinc/23/93/41/183239341.db2.gz OUVVTKNCRHZTGI-WCQYABFASA-N 1 0 221.275 1.880 50 0 BDAARO O[C@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000047915777 183233861 /nfs/dbraw/zinc/23/38/61/183233861.db2.gz CLRMOENJRRGKGX-NSHDSACASA-N 1 0 239.290 1.661 50 0 BDAARO CCC[NH+](CCC)[C@H](C)C(=O)NC(=O)NCC ZINC000096969503 169152727 /nfs/dbraw/zinc/15/27/27/169152727.db2.gz PIYVHYISTBJDDI-SNVBAGLBSA-N 1 0 243.351 1.343 50 0 BDAARO Oc1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252700468 183291200 /nfs/dbraw/zinc/29/12/00/183291200.db2.gz ADTGZLMPRKLBFX-HAQNSBGRSA-N 1 0 221.300 1.785 50 0 BDAARO c1cc(-c2noc(C3C[NH2+]C3)n2)cs1 ZINC000074934413 183332452 /nfs/dbraw/zinc/33/24/52/183332452.db2.gz KAVMGWKXJGWDBG-UHFFFAOYSA-N 1 0 207.258 1.485 50 0 BDAARO c1cc(C[NH2+]C[C@@H]2CCCO2)c2c(c1)OCCO2 ZINC000036167982 183349663 /nfs/dbraw/zinc/34/96/63/183349663.db2.gz CPDWFWDMCYWCEX-LBPRGKRZSA-N 1 0 249.310 1.726 50 0 BDAARO c1cc2c(c([C@H]3CCC[NH2+]3)c1)OCCO2 ZINC000036330516 183366609 /nfs/dbraw/zinc/36/66/09/183366609.db2.gz KWCSDLHWGQZNOR-SNVBAGLBSA-N 1 0 205.257 1.882 50 0 BDAARO c1cc(C[NH2+]CC2CC2)cc2c1OCO2 ZINC000036904295 183367436 /nfs/dbraw/zinc/36/74/36/183367436.db2.gz NPAVSLGWIDMBSO-UHFFFAOYSA-N 1 0 205.257 1.915 50 0 BDAARO c1cc2c(cc1C[NH2+][C@@H]1CCOC1)OCCCO2 ZINC000088699225 183367792 /nfs/dbraw/zinc/36/77/92/183367792.db2.gz CUPIXJGQSRALDR-GFCCVEGCSA-N 1 0 249.310 1.726 50 0 BDAARO c1cc2c(cc1CN1CCOCC1)C[NH2+]CCO2 ZINC000169676636 183368339 /nfs/dbraw/zinc/36/83/39/183368339.db2.gz RUPLLEDOPSQLTB-UHFFFAOYSA-N 1 0 248.326 1.001 50 0 BDAARO c1cc(OC2CC[NH2+]CC2)cc2c1OCO2 ZINC000004343329 183370750 /nfs/dbraw/zinc/37/07/50/183370750.db2.gz ARQNAYWIXWXEDR-UHFFFAOYSA-N 1 0 221.256 1.546 50 0 BDAARO CCCNC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000052635505 169246654 /nfs/dbraw/zinc/24/66/54/169246654.db2.gz FEFAUEDXNZKKOQ-SRVKXCTJSA-N 1 0 226.364 1.879 50 0 BDAARO c1cc([C@@H]2CCC[NH2+]C2)n(C2CCOCC2)n1 ZINC000096509756 183362629 /nfs/dbraw/zinc/36/26/29/183362629.db2.gz NOWPCQVPCDCQMJ-LLVKDONJSA-N 1 0 235.331 1.702 50 0 BDAARO c1nnc([C@H]2CCC[NH2+]2)n1-c1ccccc1 ZINC000054526816 183386883 /nfs/dbraw/zinc/38/68/83/183386883.db2.gz IGICUVSKNAHUCG-LLVKDONJSA-N 1 0 214.272 1.692 50 0 BDAARO CCC[NH2+]C[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000069564991 169264690 /nfs/dbraw/zinc/26/46/90/169264690.db2.gz HHKANITZIBEABR-LLVKDONJSA-N 1 0 236.363 1.964 50 0 BDAARO c1ccc(CC[NH2+]CCCN2CCOCC2)cc1 ZINC000020081829 183393166 /nfs/dbraw/zinc/39/31/66/183393166.db2.gz HZVBMMNTQWDKJU-UHFFFAOYSA-N 1 0 248.370 1.541 50 0 BDAARO c1ccc2nc(O[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000051868432 183460022 /nfs/dbraw/zinc/46/00/22/183460022.db2.gz KVIJZVPGOJPQRR-LLVKDONJSA-N 1 0 214.268 1.976 50 0 BDAARO c1ccn2c(c1)nnc2C[C@@H]1CCC[NH2+]C1 ZINC000054301111 183463803 /nfs/dbraw/zinc/46/38/03/183463803.db2.gz SFVJAVLMNPHPFP-JTQLQIEISA-N 1 0 216.288 1.271 50 0 BDAARO c1cn([C@H]2CCC[C@@H]2[NH2+]C2CCOCC2)cn1 ZINC000037106388 183473408 /nfs/dbraw/zinc/47/34/08/183473408.db2.gz XQLSHRWPTKXEHA-STQMWFEESA-N 1 0 235.331 1.745 50 0 BDAARO CC(C)(C)OC(=O)N1CCC12CC([NH3+])C2 ZINC000095743086 166647108 /nfs/dbraw/zinc/64/71/08/166647108.db2.gz BGRGEIZJUAJNAB-UHFFFAOYSA-N 1 0 212.293 1.487 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH3+])CC1 ZINC000067425245 166648927 /nfs/dbraw/zinc/64/89/27/166648927.db2.gz IXTYMZYBENRBEC-LBPRGKRZSA-N 1 0 244.335 1.097 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C1)[NH2+]2 ZINC000038343333 166652714 /nfs/dbraw/zinc/65/27/14/166652714.db2.gz WFPATFQNPHQQIG-VHSXEESVSA-N 1 0 226.320 1.748 50 0 BDAARO CCN(C(=O)n1cc[n+](C)c1)C1CCCCC1 ZINC000008393170 169663512 /nfs/dbraw/zinc/66/35/12/169663512.db2.gz WQPXQMXIUSDMSK-UHFFFAOYSA-N 1 0 236.339 1.935 50 0 BDAARO CCOCCOCC[C@H]1CCCC[NH2+]1 ZINC000034972570 383822304 /nfs/dbraw/zinc/82/23/04/383822304.db2.gz HOSVEFZOGPJNTK-LLVKDONJSA-N 1 0 201.310 1.572 50 0 BDAARO COCc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000178574952 383851985 /nfs/dbraw/zinc/85/19/85/383851985.db2.gz DLQHGNDMEUWMFI-GFCCVEGCSA-N 1 0 248.326 1.254 50 0 BDAARO O=C([C@@H]1C[C@H](F)C[NH2+]1)N1CCc2ccccc21 ZINC000257180300 383855006 /nfs/dbraw/zinc/85/50/06/383855006.db2.gz DKZRLIHKAJPVGS-QWRGUYRKSA-N 1 0 234.274 1.276 50 0 BDAARO COC(=O)c1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000000759105 383880233 /nfs/dbraw/zinc/88/02/33/383880233.db2.gz XENYDGICWPLNGW-UHFFFAOYSA-N 1 0 249.310 1.430 50 0 BDAARO c1cnc(-c2noc([C@H]3CCCC[NH2+]3)n2)nc1 ZINC000036814781 383909419 /nfs/dbraw/zinc/90/94/19/383909419.db2.gz CWBQBSJQFNMMIS-MRVPVSSYSA-N 1 0 231.259 1.341 50 0 BDAARO FC(F)(F)c1c[nH]c([C@H]2CCC[NH2+]C2)n1 ZINC000036876346 383916558 /nfs/dbraw/zinc/91/65/58/383916558.db2.gz AQRVZTOQDFOBGJ-LURJTMIESA-N 1 0 219.210 1.896 50 0 BDAARO [NH3+][C@@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000050094075 383905789 /nfs/dbraw/zinc/90/57/89/383905789.db2.gz NOBGUWOTCAIRIA-LLVKDONJSA-N 1 0 226.283 1.875 50 0 BDAARO C[NH+](C)CCCNC(=O)CCc1ccccc1 ZINC000002773763 383986446 /nfs/dbraw/zinc/98/64/46/383986446.db2.gz GDKLARABIAIFOH-UHFFFAOYSA-N 1 0 234.343 1.687 50 0 BDAARO COc1ncccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000050269132 383989815 /nfs/dbraw/zinc/98/98/15/383989815.db2.gz UFPRFTQZCBROJD-LBPRGKRZSA-N 1 0 234.299 1.873 50 0 BDAARO CCc1ccccc1OCCCC[NH2+]CCO ZINC000002903752 383992227 /nfs/dbraw/zinc/99/22/27/383992227.db2.gz HYOZYYFYECQBQN-UHFFFAOYSA-N 1 0 237.343 1.990 50 0 BDAARO CCOc1ccccc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000067799739 383945458 /nfs/dbraw/zinc/94/54/58/383945458.db2.gz MAXOMCYWUDOXGE-NSHDSACASA-N 1 0 248.326 1.519 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000158194359 383961097 /nfs/dbraw/zinc/96/10/97/383961097.db2.gz ABSNMGRTUWGPMH-BTDICHCPSA-N 1 0 231.299 1.045 50 0 BDAARO C[C@@H]1C[C@](O)(c2ccccc2)[C@H](C)C[NH2+]1 ZINC000072434039 384012708 /nfs/dbraw/zinc/01/27/08/384012708.db2.gz QBPQEQQKSQOQBI-NQBHXWOUSA-N 1 0 205.301 1.892 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000004204179 384044299 /nfs/dbraw/zinc/04/42/99/384044299.db2.gz LVZARJOZJFAOQF-LBPRGKRZSA-N 1 0 234.299 1.604 50 0 BDAARO O=C(C1CC[NH2+]CC1)N1CCCCCC1 ZINC000004218211 384047133 /nfs/dbraw/zinc/04/71/33/384047133.db2.gz BWKOHTHENZSVRL-UHFFFAOYSA-N 1 0 210.321 1.389 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000039084824 384100724 /nfs/dbraw/zinc/10/07/24/384100724.db2.gz OKUCEQDKBKYEJY-MRVPVSSYSA-N 1 0 200.282 1.215 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000039084822 384101203 /nfs/dbraw/zinc/10/12/03/384101203.db2.gz OKUCEQDKBKYEJY-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 BDAARO O=c1c2cc(Cl)ccc2[nH]c2c1C[NH2+]CC2 ZINC000070451503 384108105 /nfs/dbraw/zinc/10/81/05/384108105.db2.gz MUKOGMIWHHOVNR-UHFFFAOYSA-N 1 0 234.686 1.827 50 0 BDAARO O=C1Nc2ccccc2[C@@H]1C1CC[NH2+]CC1 ZINC000039392508 384114189 /nfs/dbraw/zinc/11/41/89/384114189.db2.gz AQEMSEIARDSIFX-LBPRGKRZSA-N 1 0 216.284 1.722 50 0 BDAARO COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000091691630 384137577 /nfs/dbraw/zinc/13/75/77/384137577.db2.gz FDAHYLITFOVURS-STQMWFEESA-N 1 0 248.326 1.009 50 0 BDAARO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1F ZINC000090849591 384162900 /nfs/dbraw/zinc/16/29/00/384162900.db2.gz LLKLBGRSHBVWNT-GWCFXTLKSA-N 1 0 239.290 1.628 50 0 BDAARO CN(C[C@@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000071790500 384180058 /nfs/dbraw/zinc/18/00/58/384180058.db2.gz LVAKRZOPSFPOGC-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[NH2+]1 ZINC000071790827 384180428 /nfs/dbraw/zinc/18/04/28/384180428.db2.gz DWPWUTVKBYXVLI-WDEREUQCSA-N 1 0 211.305 1.718 50 0 BDAARO CNc1cc(C[C@H]2CCC[NH2+]C2)ncn1 ZINC000072344177 384207368 /nfs/dbraw/zinc/20/73/68/384207368.db2.gz NXTDJAYQNBQGKV-SECBINFHSA-N 1 0 206.293 1.060 50 0 BDAARO C[NH+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000002773388 384186780 /nfs/dbraw/zinc/18/67/80/384186780.db2.gz CRFRLGAHNGYWIG-UONOGXRCSA-N 1 0 246.354 1.858 50 0 BDAARO C[NH+](C)CCNc1cncc(Cl)n1 ZINC000042291377 384210478 /nfs/dbraw/zinc/21/04/78/384210478.db2.gz KXDMEFAOEAHGGY-UHFFFAOYSA-N 1 0 200.673 1.104 50 0 BDAARO C[C@H](CC(=O)N1CC[NH2+][C@@H](C)C1)c1ccncc1 ZINC000408519303 384277454 /nfs/dbraw/zinc/27/74/54/384277454.db2.gz QOEVNNZJMZTDGN-NEPJUHHUSA-N 1 0 247.342 1.396 50 0 BDAARO Cc1cc(C(F)(F)F)nn1C[C@@H](C)[NH3+] ZINC000012397702 384316180 /nfs/dbraw/zinc/31/61/80/384316180.db2.gz BXFMAMDNAXJWKL-RXMQYKEDSA-N 1 0 207.199 1.558 50 0 BDAARO CCN(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000097010810 384280487 /nfs/dbraw/zinc/28/04/87/384280487.db2.gz TUBWTXROYMMMBC-LLVKDONJSA-N 1 0 227.352 1.522 50 0 BDAARO [NH3+]C[C@@H]1CN(c2cccc(Cl)c2)C(=O)O1 ZINC000011920037 384302291 /nfs/dbraw/zinc/30/22/91/384302291.db2.gz ABVJAYHLEOFPPN-SECBINFHSA-N 1 0 226.663 1.624 50 0 BDAARO C[C@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082383125 384353203 /nfs/dbraw/zinc/35/32/03/384353203.db2.gz WKBDQHQZEPPWBJ-JGVFFNPUSA-N 1 0 200.282 1.343 50 0 BDAARO CC[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095210799 384365216 /nfs/dbraw/zinc/36/52/16/384365216.db2.gz RSGBNJYQGQOTON-PWSUYJOCSA-N 1 0 220.316 1.471 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000012636172 384329624 /nfs/dbraw/zinc/32/96/24/384329624.db2.gz YOEGOTABDHBSJE-UHFFFAOYSA-N 1 0 218.300 1.477 50 0 BDAARO COC(=O)c1cccc(OCC2CC[NH2+]CC2)c1 ZINC000014631447 384399205 /nfs/dbraw/zinc/39/92/05/384399205.db2.gz ZDZPLNNSHWUJRM-UHFFFAOYSA-N 1 0 249.310 1.852 50 0 BDAARO CC(C)=CCN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000071864364 384403716 /nfs/dbraw/zinc/40/37/16/384403716.db2.gz YOMFEJFAWPOBNE-CHWSQXEVSA-N 1 0 226.364 1.340 50 0 BDAARO O=C1O[C@H]2C[C@@H]1N(Cc1ccccc1)CC2 ZINC000095904882 384405284 /nfs/dbraw/zinc/40/52/84/384405284.db2.gz QAQFBKCSARAZMH-NEPJUHHUSA-N 1 0 217.268 1.576 50 0 BDAARO C[NH2+][C@@H](CC(C)C)c1nc(-c2cccnn2)no1 ZINC000095508025 384379647 /nfs/dbraw/zinc/37/96/47/384379647.db2.gz RQSMANIFTDDTOU-JTQLQIEISA-N 1 0 247.302 1.833 50 0 BDAARO [NH3+]Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000014000195 384382376 /nfs/dbraw/zinc/38/23/76/384382376.db2.gz VQHVEECMNCLZGU-LBPRGKRZSA-N 1 0 207.273 1.703 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@H]1F ZINC000095644299 384386776 /nfs/dbraw/zinc/38/67/76/384386776.db2.gz PHKRFWRGEVHCAT-SFYZADRCSA-N 1 0 218.272 1.211 50 0 BDAARO C[NH+]1CCC(C(=O)c2ccncc2)CC1 ZINC000095644723 384388676 /nfs/dbraw/zinc/38/86/76/384388676.db2.gz PPTQZHVJILDZRZ-UHFFFAOYSA-N 1 0 204.273 1.606 50 0 BDAARO Cc1ccc(C[NH2+][C@@H](C)CC(N)=O)s1 ZINC000072313671 384429947 /nfs/dbraw/zinc/42/99/47/384429947.db2.gz PNYBOVCTEWCSGS-ZETCQYMHSA-N 1 0 212.318 1.410 50 0 BDAARO CN(Cc1ccccc1F)C(=O)[C@H]1CCC[NH2+]1 ZINC000032903870 384439733 /nfs/dbraw/zinc/43/97/33/384439733.db2.gz KRVRDTXHQFGXDX-GFCCVEGCSA-N 1 0 236.290 1.536 50 0 BDAARO c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663755 384471748 /nfs/dbraw/zinc/47/17/48/384471748.db2.gz PYVXWWICILLOFY-UONOGXRCSA-N 1 0 216.328 1.870 50 0 BDAARO Cc1ccc(C)c(OCCCN2CC[NH2+]CC2)c1 ZINC000019728661 384534367 /nfs/dbraw/zinc/53/43/67/384534367.db2.gz MDJOBDUYCPUHQU-UHFFFAOYSA-N 1 0 248.370 1.978 50 0 BDAARO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000019262497 384512949 /nfs/dbraw/zinc/51/29/49/384512949.db2.gz HQLHXIXXZOMPMB-LBPRGKRZSA-N 1 0 240.734 1.672 50 0 BDAARO CN(C)CC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019366534 384517136 /nfs/dbraw/zinc/51/71/36/384517136.db2.gz YGHQJIHQMUDTEP-UHFFFAOYSA-N 1 0 222.288 1.067 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000019391505 384519261 /nfs/dbraw/zinc/51/92/61/384519261.db2.gz HYJBAQRUUJIMAS-VIFPVBQESA-N 1 0 233.233 1.815 50 0 BDAARO Cc1ccc(C)c(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019410258 384523130 /nfs/dbraw/zinc/52/31/30/384523130.db2.gz NVGKGSSYWJOXBM-LLVKDONJSA-N 1 0 218.300 1.994 50 0 BDAARO c1csc(C[NH2+]C[C@@H]2CNc3ccnn3C2)n1 ZINC000058341609 384525993 /nfs/dbraw/zinc/52/59/93/384525993.db2.gz PAKDNMKPIIMFND-SECBINFHSA-N 1 0 249.343 1.171 50 0 BDAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@@H]1CO ZINC000019607763 384529296 /nfs/dbraw/zinc/52/92/96/384529296.db2.gz IZQZPZPUVIZOJH-LLVKDONJSA-N 1 0 224.304 1.638 50 0 BDAARO [NH3+]C[C@H]1CCCN1CCc1ccccc1 ZINC000019843296 384544314 /nfs/dbraw/zinc/54/43/14/384544314.db2.gz BUUPCNSSZPMOOR-CYBMUJFWSA-N 1 0 204.317 1.652 50 0 BDAARO COc1cc(F)ccc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097766272 384556836 /nfs/dbraw/zinc/55/68/36/384556836.db2.gz OHHAWAJXPISQQT-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO C[NH+](C)CCOC(=O)NC1CCCCC1 ZINC000019911613 384557554 /nfs/dbraw/zinc/55/75/54/384557554.db2.gz AWYRNLJWSNRUBU-UHFFFAOYSA-N 1 0 214.309 1.607 50 0 BDAARO C[NH+](C)CCN1Cc2cccc(N)c2C1 ZINC000019936724 384558708 /nfs/dbraw/zinc/55/87/08/384558708.db2.gz MZGYFDVOLDFIHM-UHFFFAOYSA-N 1 0 205.305 1.146 50 0 BDAARO C[NH+](C)[C@H]1CCN(C(=O)CCc2ccncc2)C1 ZINC000097813740 384561506 /nfs/dbraw/zinc/56/15/06/384561506.db2.gz HYQLTCHCMYHJES-ZDUSSCGKSA-N 1 0 247.342 1.177 50 0 BDAARO CC(C)=CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000061646926 384598991 /nfs/dbraw/zinc/59/89/91/384598991.db2.gz LTDMKIVIHOMBEA-UHFFFAOYSA-N 1 0 236.319 1.349 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000020216701 384600691 /nfs/dbraw/zinc/60/06/91/384600691.db2.gz WRLVESWELOBVJS-MRVPVSSYSA-N 1 0 221.178 1.577 50 0 BDAARO O=C(CC1CC[NH2+]CC1)N1CCCSCC1 ZINC000042444706 384639974 /nfs/dbraw/zinc/63/99/74/384639974.db2.gz WAVXQJOZILBDKK-UHFFFAOYSA-N 1 0 242.388 1.342 50 0 BDAARO CC[C@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000057860327 384723345 /nfs/dbraw/zinc/72/33/45/384723345.db2.gz YOBSPSOAGALYTD-OAHLLOKOSA-N 1 0 248.370 1.748 50 0 BDAARO c1cncc(-c2n[nH]c([C@@H]3CCCC[NH2+]3)n2)c1 ZINC000082752730 384710558 /nfs/dbraw/zinc/71/05/58/384710558.db2.gz IETQYZUOWCWVHW-JTQLQIEISA-N 1 0 229.287 1.681 50 0 BDAARO [NH3+][C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000053259547 384778494 /nfs/dbraw/zinc/77/84/94/384778494.db2.gz FBRZMKJGUPQVSF-NSHDSACASA-N 1 0 204.273 1.309 50 0 BDAARO C[C@@H](NCC[NH+](C)C)c1nc2ccccc2n1C ZINC000022170454 384738513 /nfs/dbraw/zinc/73/85/13/384738513.db2.gz SCWUBMAAGZDGKE-LLVKDONJSA-N 1 0 246.358 1.786 50 0 BDAARO COC[C@@](C)(CCO)[NH2+]CC1CCC1 ZINC000084637314 384763377 /nfs/dbraw/zinc/76/33/77/384763377.db2.gz QHLFLYNHONGHJD-LLVKDONJSA-N 1 0 201.310 1.164 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000054369427 384834219 /nfs/dbraw/zinc/83/42/19/384834219.db2.gz QVHRZTCVBFHPAR-ZDUSSCGKSA-N 1 0 246.354 1.666 50 0 BDAARO C[NH+](C)CCNC(=O)Cc1ccc(Cl)cc1 ZINC000006177136 384808590 /nfs/dbraw/zinc/80/85/90/384808590.db2.gz HFNXJOIRWCQTIZ-UHFFFAOYSA-N 1 0 240.734 1.560 50 0 BDAARO CC(C)(C)CC[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000188273955 384872087 /nfs/dbraw/zinc/87/20/87/384872087.db2.gz ANRKTCXDCYHBTM-JTQLQIEISA-N 1 0 224.348 1.776 50 0 BDAARO [NH3+]Cc1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000054744731 384849670 /nfs/dbraw/zinc/84/96/70/384849670.db2.gz YVBCSXPOQKFNAZ-UHFFFAOYSA-N 1 0 243.192 1.140 50 0 BDAARO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCCCC1 ZINC000032797113 384852684 /nfs/dbraw/zinc/85/26/84/384852684.db2.gz ZKPZNDLBPNSEHV-SNVBAGLBSA-N 1 0 212.337 1.776 50 0 BDAARO Cc1ccc([C@H]([NH3+])[C@H](C)S(C)(=O)=O)cc1 ZINC000054930021 384863179 /nfs/dbraw/zinc/86/31/79/384863179.db2.gz CIGPVICRESLYOY-GXSJLCMTSA-N 1 0 227.329 1.428 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]CC[C@H]21 ZINC000057219109 384934449 /nfs/dbraw/zinc/93/44/49/384934449.db2.gz WWQRKRDWYBRFAA-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO Cn1nccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188400370 384947305 /nfs/dbraw/zinc/94/73/05/384947305.db2.gz BUSJDKFQYOKEJF-CYBMUJFWSA-N 1 0 245.330 1.281 50 0 BDAARO Cn1nccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188400398 384948284 /nfs/dbraw/zinc/94/82/84/384948284.db2.gz BUSJDKFQYOKEJF-ZDUSSCGKSA-N 1 0 245.330 1.281 50 0 BDAARO CC(C)CS(=O)(=O)CC1CC[NH2+]CC1 ZINC000058258887 384992383 /nfs/dbraw/zinc/99/23/83/384992383.db2.gz ALISLGDHBBTYKE-UHFFFAOYSA-N 1 0 219.350 1.057 50 0 BDAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCCO1 ZINC000061914714 385003562 /nfs/dbraw/zinc/00/35/62/385003562.db2.gz CIHROKPWNVOFHB-NSHDSACASA-N 1 0 248.326 1.396 50 0 BDAARO Cc1cnc([C@@H]2CCCO2)n1C1CC[NH2+]CC1 ZINC000257174435 385039980 /nfs/dbraw/zinc/03/99/80/385039980.db2.gz GWQXEFCNPUIEME-LBPRGKRZSA-N 1 0 235.331 1.968 50 0 BDAARO C[C@@H]([NH2+]Cc1cnn[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000585123185 385088073 /nfs/dbraw/zinc/08/80/73/385088073.db2.gz APIWLXLGOJELST-GGVZMXCHSA-N 1 0 206.293 1.329 50 0 BDAARO CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1OC ZINC000096441003 385170036 /nfs/dbraw/zinc/17/00/36/385170036.db2.gz FBUCHYCIFQWLAA-VXGBXAGGSA-N 1 0 242.363 1.402 50 0 BDAARO CCC[C@](C)([NH3+])C(=O)Nc1ccc(C)nc1 ZINC000164849155 385315015 /nfs/dbraw/zinc/31/50/15/385315015.db2.gz RTHMKTLQUWZCSZ-LBPRGKRZSA-N 1 0 221.304 1.846 50 0 BDAARO C[C@H](C[N@H+](C)Cc1ccccc1)N1CCOCC1 ZINC000065536747 385322620 /nfs/dbraw/zinc/32/26/20/385322620.db2.gz BLQQJOACCFWREK-CQSZACIVSA-N 1 0 248.370 1.839 50 0 BDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000034217330 385275584 /nfs/dbraw/zinc/27/55/84/385275584.db2.gz HJUZGKGDCUOVML-BDAKNGLRSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@@H]1C[C@@H](c2ccccc2F)N(CC(N)=O)C1 ZINC000098015862 385361089 /nfs/dbraw/zinc/36/10/89/385361089.db2.gz KHVZQBBKGZWEEO-SKDRFNHKSA-N 1 0 236.290 1.694 50 0 BDAARO Cc1cnc(C[C@@H]2CC[NH2+]C2)n1C(C)C ZINC000169676765 385417257 /nfs/dbraw/zinc/41/72/57/385417257.db2.gz FIWQMZAJZZVQBZ-NSHDSACASA-N 1 0 207.321 1.924 50 0 BDAARO COCc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000052042853 385622153 /nfs/dbraw/zinc/62/21/53/385622153.db2.gz BPBLPZNCCYUUIC-UHFFFAOYSA-N 1 0 233.315 1.609 50 0 BDAARO C[C@@H]([NH3+])[C@H]1Oc2ccccc2OC1(C)C ZINC000005723050 385633284 /nfs/dbraw/zinc/63/32/84/385633284.db2.gz IQXOOOASMXLSJR-LDYMZIIASA-N 1 0 207.273 1.952 50 0 BDAARO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)cc2c1OCCO2 ZINC000052274887 385718394 /nfs/dbraw/zinc/71/83/94/385718394.db2.gz PSZOHWXEDDZGHC-GXSJLCMTSA-N 1 0 249.310 1.964 50 0 BDAARO CC(C)(C)C[C@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000121363374 385840212 /nfs/dbraw/zinc/84/02/12/385840212.db2.gz YUFCFLYKTADWHW-SECBINFHSA-N 1 0 211.309 1.296 50 0 BDAARO FC(F)(F)c1ccnc([C@H]2CCC[NH2+]2)n1 ZINC000057354336 385929578 /nfs/dbraw/zinc/92/95/78/385929578.db2.gz UYXOJZURHVPGSE-ZCFIWIBFSA-N 1 0 217.194 1.920 50 0 BDAARO CN1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000216715816 385871374 /nfs/dbraw/zinc/87/13/74/385871374.db2.gz QNZWMYOSKDNUTN-GFCCVEGCSA-N 1 0 228.380 1.467 50 0 BDAARO Cc1ccc(C)c(OCCC[NH2+]CCO)c1 ZINC000002902102 386060948 /nfs/dbraw/zinc/06/09/48/386060948.db2.gz SZZVZNZADDYVOG-UHFFFAOYSA-N 1 0 223.316 1.654 50 0 BDAARO CO[C@@H](C)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000182184201 386080837 /nfs/dbraw/zinc/08/08/37/386080837.db2.gz FRBPLNTXUCRMDL-ZDUSSCGKSA-N 1 0 240.391 1.972 50 0 BDAARO CC[N@H+](C)C[C@H]1CCN(c2ccc(F)cn2)C1 ZINC000225821486 386219297 /nfs/dbraw/zinc/21/92/97/386219297.db2.gz SHXUUKGZFKKQOT-LLVKDONJSA-N 1 0 237.322 1.999 50 0 BDAARO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000225396996 386191916 /nfs/dbraw/zinc/19/19/16/386191916.db2.gz JESCDOWVVZVPIT-CHWSQXEVSA-N 1 0 249.310 1.824 50 0 BDAARO COc1cc(F)cc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000237115362 386359010 /nfs/dbraw/zinc/35/90/10/386359010.db2.gz SMRZUEQJZDCWSH-QMMMGPOBSA-N 1 0 238.262 1.382 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccn1C ZINC000063192913 386366903 /nfs/dbraw/zinc/36/69/03/386366903.db2.gz ZQEKQUXDOQPKCI-MNOVXSKESA-N 1 0 235.331 1.367 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC000087049770 386436961 /nfs/dbraw/zinc/43/69/61/386436961.db2.gz SPQFRWGSHAZOIH-QMMMGPOBSA-N 1 0 208.261 1.376 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000238189264 386451379 /nfs/dbraw/zinc/45/13/79/386451379.db2.gz SENOIERVHIUDCX-VGMNWLOBSA-N 1 0 212.293 1.404 50 0 BDAARO FC(F)(F)[C@H]1CC[NH2+]CC12CCOCC2 ZINC000299805294 386491080 /nfs/dbraw/zinc/49/10/80/386491080.db2.gz HMPMMGLOKNPPGM-QMMMGPOBSA-N 1 0 223.238 1.955 50 0 BDAARO CCc1ccc(CCC(=O)NCC[NH+](C)C)cc1 ZINC000013670339 386577070 /nfs/dbraw/zinc/57/70/70/386577070.db2.gz WNXQLVLQQOZKMR-UHFFFAOYSA-N 1 0 248.370 1.859 50 0 BDAARO c1ccc2c(c1)cccc2CNC1=[NH+]CCN1 ZINC000096027935 386583252 /nfs/dbraw/zinc/58/32/52/386583252.db2.gz PCGPBIZZOBEWMS-UHFFFAOYSA-N 1 0 225.295 1.889 50 0 BDAARO CN1CCCC[C@H]1C(=O)NCc1nccs1 ZINC000585120795 386674148 /nfs/dbraw/zinc/67/41/48/386674148.db2.gz LPBWODPZHMTSQV-VIFPVBQESA-N 1 0 239.344 1.244 50 0 BDAARO C[C@]12CC[N@H+](Cc3cc[nH]n3)C[C@H]1C2(F)F ZINC000292765575 386721371 /nfs/dbraw/zinc/72/13/71/386721371.db2.gz JXJMUMMJUNJTCD-ZJUUUORDSA-N 1 0 227.258 1.887 50 0 BDAARO CC[N@H+](CCO)Cc1cccc(OC)c1 ZINC000049754447 387021393 /nfs/dbraw/zinc/02/13/93/387021393.db2.gz WRCNCAWIONUDLL-UHFFFAOYSA-N 1 0 209.289 1.509 50 0 BDAARO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCc3ccncc32)C1 ZINC000335004425 387099227 /nfs/dbraw/zinc/09/92/27/387099227.db2.gz BYTQTIVDQWOKFE-VXGBXAGGSA-N 1 0 245.326 1.488 50 0 BDAARO CCc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000089284858 387125990 /nfs/dbraw/zinc/12/59/90/387125990.db2.gz YDFAQGYGIOEMKV-AWEZNQCLSA-N 1 0 246.354 1.946 50 0 BDAARO c1c2ccccc2[nH]c1CN1CC[NH2+]CC1 ZINC000049815887 387152016 /nfs/dbraw/zinc/15/20/16/387152016.db2.gz OVDSBRUMFDTCKF-UHFFFAOYSA-N 1 0 215.300 1.573 50 0 BDAARO CC(C)[C@H]1CN(Cc2ccco2)CC[NH2+]1 ZINC000022926579 387258018 /nfs/dbraw/zinc/25/80/18/387258018.db2.gz UILSPQACLBTYNB-GFCCVEGCSA-N 1 0 208.305 1.709 50 0 BDAARO CCS[C@@H]1CCC[C@H]1[NH2+]CC(OC)OC ZINC000233839431 387305143 /nfs/dbraw/zinc/30/51/43/387305143.db2.gz ZLRXJKWRHNIEGP-NXEZZACHSA-N 1 0 233.377 1.869 50 0 BDAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(OC)OC ZINC000233984527 387306787 /nfs/dbraw/zinc/30/67/87/387306787.db2.gz ZLRXJKWRHNIEGP-VHSXEESVSA-N 1 0 233.377 1.869 50 0 BDAARO c1ccc(N2CCC[N@@H+]([C@H]3CCOC3)CC2)cc1 ZINC000336558926 387382471 /nfs/dbraw/zinc/38/24/71/387382471.db2.gz AFRYREKFGHPYIR-HNNXBMFYSA-N 1 0 246.354 1.988 50 0 BDAARO CC(C)CC[NH2+][C@@H]1CCCn2ncnc21 ZINC000191104817 387348112 /nfs/dbraw/zinc/34/81/12/387348112.db2.gz ZYOAMKSUPMAKGG-SNVBAGLBSA-N 1 0 208.309 1.749 50 0 BDAARO CCc1ccc(C(=O)N2CC[C@H]([NH3+])C2)o1 ZINC000085827023 387454894 /nfs/dbraw/zinc/45/48/94/387454894.db2.gz MYKQIBMUZLKIPP-QMMMGPOBSA-N 1 0 208.261 1.015 50 0 BDAARO COC(=O)c1ccc2c[nH+]cn2c1Cl ZINC000116674565 387456233 /nfs/dbraw/zinc/45/62/33/387456233.db2.gz LHXRTDJUZZEEQH-UHFFFAOYSA-N 1 0 210.620 1.774 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@H]12 ZINC000185083093 387952267 /nfs/dbraw/zinc/95/22/67/387952267.db2.gz LHJWXPGDHRRWHU-BIIVOSGPSA-N 1 0 236.237 1.135 50 0 BDAARO CC(C)COc1ccc(CNC2=[NH+]CCN2)cc1 ZINC000065491735 388014907 /nfs/dbraw/zinc/01/49/07/388014907.db2.gz ZZZSGTHUPOGCDX-UHFFFAOYSA-N 1 0 247.342 1.770 50 0 BDAARO Cc1ccc(C(=O)NCC[NH2+]C2CC2)cc1 ZINC000054265832 388059139 /nfs/dbraw/zinc/05/91/39/388059139.db2.gz CPVAMFHBQWRWSI-UHFFFAOYSA-N 1 0 218.300 1.477 50 0 BDAARO Cc1cc(C)c(C[NH2+]C[C@H](O)CO)c(C)c1 ZINC000085246032 388085100 /nfs/dbraw/zinc/08/51/00/388085100.db2.gz WFQHGJXJGMJGEM-LBPRGKRZSA-N 1 0 223.316 1.055 50 0 BDAARO CC(C)[C@@H]([NH2+]CC(N)=O)c1ccc(F)cc1 ZINC000071793209 388114042 /nfs/dbraw/zinc/11/40/42/388114042.db2.gz ZCTKQKULYBSQIO-GFCCVEGCSA-N 1 0 224.279 1.598 50 0 BDAARO OCCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037236380 388239254 /nfs/dbraw/zinc/23/92/54/388239254.db2.gz AIKLWASXLGFWBT-UHFFFAOYSA-N 1 0 235.331 1.022 50 0 BDAARO CN1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 ZINC000230163989 388362739 /nfs/dbraw/zinc/36/27/39/388362739.db2.gz YMUYHSLEGBPDRN-MJBXVCDLSA-N 1 0 238.375 1.628 50 0 BDAARO CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(N)=O)o1 ZINC000090179872 388395407 /nfs/dbraw/zinc/39/54/07/388395407.db2.gz UQMWNJOTQGZTBE-SECBINFHSA-N 1 0 224.304 1.903 50 0 BDAARO CC(C)c1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 ZINC000070953235 388442118 /nfs/dbraw/zinc/44/21/18/388442118.db2.gz AYUZYCDHBLLMLK-UHFFFAOYSA-N 1 0 221.304 1.621 50 0 BDAARO Cc1ccc(O)c(C[NH2+][C@H](C)Cn2cccn2)n1 ZINC000069351385 388414920 /nfs/dbraw/zinc/41/49/20/388414920.db2.gz UOVKMMSFNCXCAL-LLVKDONJSA-N 1 0 246.314 1.470 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000069464384 388417550 /nfs/dbraw/zinc/41/75/50/388417550.db2.gz VXCHKZTYOUJLSL-STQMWFEESA-N 1 0 237.347 1.739 50 0 BDAARO c1cncc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000069590043 388421341 /nfs/dbraw/zinc/42/13/41/388421341.db2.gz AESLNEAQYQLLJH-AWEZNQCLSA-N 1 0 247.342 1.034 50 0 BDAARO c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000069584845 388421385 /nfs/dbraw/zinc/42/13/85/388421385.db2.gz RMMUIYRUTLIXES-OAHLLOKOSA-N 1 0 246.354 1.639 50 0 BDAARO CCCC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069655022 388422722 /nfs/dbraw/zinc/42/27/22/388422722.db2.gz STUBZBKJHGJCRN-LLVKDONJSA-N 1 0 208.309 1.543 50 0 BDAARO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000069952050 388431116 /nfs/dbraw/zinc/43/11/16/388431116.db2.gz CMXKYFBPEMLTAH-CQSZACIVSA-N 1 0 248.370 1.839 50 0 BDAARO CC[NH+](CC)CCN[C@H](C)c1nccn1C ZINC000070007287 388432576 /nfs/dbraw/zinc/43/25/76/388432576.db2.gz RRBATYMWHDVFTG-LLVKDONJSA-N 1 0 224.352 1.413 50 0 BDAARO CN(CCC1CC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000195554622 388482636 /nfs/dbraw/zinc/48/26/36/388482636.db2.gz PRDJTROWDGKLON-CYBMUJFWSA-N 1 0 232.327 1.945 50 0 BDAARO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000241383150 388595794 /nfs/dbraw/zinc/59/57/94/388595794.db2.gz MSWKGRVZRHEZEM-RWMBFGLXSA-N 1 0 225.332 1.820 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H]1C ZINC000236650669 388595870 /nfs/dbraw/zinc/59/58/70/388595870.db2.gz OVNBDJZGXHPUAN-DCAQKATOSA-N 1 0 212.337 1.617 50 0 BDAARO Cc1cc(C)c(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)o1 ZINC000237411827 256861061 /nfs/dbraw/zinc/86/10/61/256861061.db2.gz YFKPPSJVVDEMGF-MWLCHTKSSA-N 1 0 236.315 1.848 50 0 BDAARO O=C(/C=C\c1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000214317371 388566350 /nfs/dbraw/zinc/56/63/50/388566350.db2.gz YWVAXIKQOLNVAR-YXVBKTCISA-N 1 0 230.311 1.568 50 0 BDAARO N[C@H](c1ccncc1)[C@H]([NH3+])c1ccncc1 ZINC000022583235 388568725 /nfs/dbraw/zinc/56/87/25/388568725.db2.gz HWXSNBQACUQDTF-VXGBXAGGSA-N 1 0 214.272 1.176 50 0 BDAARO Cn1cncc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000112337665 388666304 /nfs/dbraw/zinc/66/63/04/388666304.db2.gz LAVGJYVNBPGZJA-UHFFFAOYSA-N 1 0 245.282 1.439 50 0 BDAARO OC1(C[NH2+]CC2(O)CCCCC2)CCCCC1 ZINC000087029294 388684358 /nfs/dbraw/zinc/68/43/58/388684358.db2.gz OIMAYGOGVWTUGW-UHFFFAOYSA-N 1 0 241.375 1.966 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000095956857 388793211 /nfs/dbraw/zinc/79/32/11/388793211.db2.gz JKQVZGZIQLUWFM-MRVPVSSYSA-N 1 0 236.315 1.975 50 0 BDAARO CC[NH+]1CCN(c2nncc3ccccc32)CC1 ZINC000095948270 388793398 /nfs/dbraw/zinc/79/33/98/388793398.db2.gz VYBSRAQZRGRYBC-UHFFFAOYSA-N 1 0 242.326 1.772 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)C(N)=O)C(C)(C)c1ccccc1 ZINC000095984753 388800198 /nfs/dbraw/zinc/80/01/98/388800198.db2.gz GYJJGHOZDPXPON-WDEREUQCSA-N 1 0 234.343 1.816 50 0 BDAARO CCOCC[N@H+](C)[C@@H](CO)c1cccc(F)c1 ZINC000095396847 388765956 /nfs/dbraw/zinc/76/59/56/388765956.db2.gz SQJXLORUXVDONJ-ZDUSSCGKSA-N 1 0 241.306 1.827 50 0 BDAARO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccccn1 ZINC000095430936 388771477 /nfs/dbraw/zinc/77/14/77/388771477.db2.gz CARVJOMTSCBJIV-LBPRGKRZSA-N 1 0 222.332 1.968 50 0 BDAARO C[N@H+](CCCn1ccnc1)Cc1ccncc1 ZINC000096490567 388820406 /nfs/dbraw/zinc/82/04/06/388820406.db2.gz FJBIXXLBULSNLC-UHFFFAOYSA-N 1 0 230.315 1.800 50 0 BDAARO CC[C@H]([NH3+])C(=O)N1CCC[C@H]1CC(C)C ZINC000153667214 388830819 /nfs/dbraw/zinc/83/08/19/388830819.db2.gz NBUQCVVAKZMJAR-QWRGUYRKSA-N 1 0 212.337 1.761 50 0 BDAARO C[C@H](C[S@@](C)=O)[N@H+](C)[C@H](C)C1CCC1 ZINC000225640342 388839345 /nfs/dbraw/zinc/83/93/45/388839345.db2.gz PHQUCYWFAKTPFT-GPCCPHFNSA-N 1 0 217.378 1.874 50 0 BDAARO C[N@@H+]1CCC(N)=C(C(=O)Nc2ccccc2)C1 ZINC000208027239 388860702 /nfs/dbraw/zinc/86/07/02/388860702.db2.gz CFPUDCLRRPAOAX-NSHDSACASA-N 1 0 231.299 1.597 50 0 BDAARO c1cc2c(ccnc2N2CC[NH2+]CC2)s1 ZINC000015443139 132323113 /nfs/dbraw/zinc/32/31/13/132323113.db2.gz RVGRTFBJOXMFAX-UHFFFAOYSA-N 1 0 219.313 1.706 50 0 in-vivo BDAARO C[NH2+]CC(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000084788362 132311415 /nfs/dbraw/zinc/31/14/15/132311415.db2.gz YYQIUAHUYZUHKB-QMMMGPOBSA-N 1 0 238.262 1.159 50 0 BDAARO CSc1ccccc1N1CC[NH2+]CC1 ZINC000002390002 132314831 /nfs/dbraw/zinc/31/48/31/132314831.db2.gz RXJURXTXLCOIDY-UHFFFAOYSA-N 1 0 208.330 1.818 50 0 BDAARO CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000005427912 132317701 /nfs/dbraw/zinc/31/77/01/132317701.db2.gz NQBGQNHTNDBNME-UHFFFAOYSA-N 1 0 219.288 1.140 50 0 BDAARO [NH3+]CCCN1CCN(c2ccccc2F)CC1 ZINC000011805321 132320873 /nfs/dbraw/zinc/32/08/73/132320873.db2.gz AYBUIEUDODPVQZ-UHFFFAOYSA-N 1 0 237.322 1.297 50 0 BDAARO Brc1ccc(N2CC[NH2+]CC2)cn1 ZINC000013704043 132322297 /nfs/dbraw/zinc/32/22/97/132322297.db2.gz OVRZSDRDBJDKBF-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO c1cnc2ccnc(N3CC[NH2+]CC3)c2c1 ZINC000015442511 132323010 /nfs/dbraw/zinc/32/30/10/132323010.db2.gz SQSNAEMKKDCJLU-UHFFFAOYSA-N 1 0 214.272 1.039 50 0 BDAARO NC(=[NH2+])c1ccc(N2CCCCC2)cc1 ZINC000019865907 132327834 /nfs/dbraw/zinc/32/78/34/132327834.db2.gz OMLVNIZABDIFBJ-UHFFFAOYSA-N 1 0 203.289 1.961 50 0 BDAARO [NH3+]CCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000020458085 132331787 /nfs/dbraw/zinc/33/17/87/132331787.db2.gz UHIQVPRCDRTUKV-UHFFFAOYSA-N 1 0 239.750 1.421 50 0 BDAARO [NH3+][C@@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269266 132389557 /nfs/dbraw/zinc/38/95/57/132389557.db2.gz NDUQATOERCLXSQ-LLVKDONJSA-N 1 0 247.346 1.004 50 0 BDAARO Cc1cc(C(C)C)nc(N2CC[NH2+]CC2)n1 ZINC000070952132 132391438 /nfs/dbraw/zinc/39/14/38/132391438.db2.gz ZJJGOXARTLFJHY-UHFFFAOYSA-N 1 0 220.320 1.318 50 0 BDAARO C[NH2+]CCOC[C@@H](O)CSc1ccccc1 ZINC000002056665 133443536 /nfs/dbraw/zinc/44/35/36/133443536.db2.gz KMJLFRCREMBWTO-LLVKDONJSA-N 1 0 241.356 1.376 50 0 BDAARO Cc1ccccc1C[NH2+]CCOCCO ZINC000010436216 133449159 /nfs/dbraw/zinc/44/91/59/133449159.db2.gz QAGJERNBYWMNQI-UHFFFAOYSA-N 1 0 209.289 1.094 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000211933118 134242882 /nfs/dbraw/zinc/24/28/82/134242882.db2.gz GWYHGMXRVCSETJ-NWDGAFQWSA-N 1 0 241.331 1.441 50 0 BDAARO CC[NH+](CC)CCNNC(C1CC1)C1CC1 ZINC000071773105 135028278 /nfs/dbraw/zinc/02/82/78/135028278.db2.gz GJYQYMIKZPYBKJ-UHFFFAOYSA-N 1 0 225.380 1.611 50 0 BDAARO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000249318493 135043025 /nfs/dbraw/zinc/04/30/25/135043025.db2.gz PPTRFPMRCBHLQQ-XQQFMLRXSA-N 1 0 238.375 1.975 50 0 BDAARO C[C@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1[NH+](C)C ZINC000078895795 135250531 /nfs/dbraw/zinc/25/05/31/135250531.db2.gz NQEFOSUBWHMUDX-NWDGAFQWSA-N 1 0 238.375 1.975 50 0 BDAARO C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@H]1[NH+](C)C ZINC000078895791 135250614 /nfs/dbraw/zinc/25/06/14/135250614.db2.gz NQEFOSUBWHMUDX-VXGBXAGGSA-N 1 0 238.375 1.975 50 0 BDAARO CC1(C(=O)Nc2cccc(F)c2F)C[NH2+]C1 ZINC000335020022 135405999 /nfs/dbraw/zinc/40/59/99/135405999.db2.gz WOTYUPPCYBYAPZ-UHFFFAOYSA-N 1 0 226.226 1.513 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)NCc2ccccc2)C1 ZINC000232302654 135653585 /nfs/dbraw/zinc/65/35/85/135653585.db2.gz FTJFIRCUMGAJKO-LBPRGKRZSA-N 1 0 233.315 1.319 50 0 BDAARO c1cnn(CC[NH2+]Cc2ccsc2)c1 ZINC000042351719 398013833 /nfs/dbraw/zinc/01/38/33/398013833.db2.gz STBKQHIRSDVAKR-UHFFFAOYSA-N 1 0 207.302 1.734 50 0 BDAARO [NH3+]CCc1c(Cc2ccccc2)[nH][nH]c1=O ZINC000034792293 398015070 /nfs/dbraw/zinc/01/50/70/398015070.db2.gz XGYLGHSYYZGTEK-UHFFFAOYSA-N 1 0 217.272 1.207 50 0 BDAARO O=C(C=Cc1ccccc1)NCCc1c[nH]cn1 ZINC000013591647 398088947 /nfs/dbraw/zinc/08/89/47/398088947.db2.gz HCENGXRZXKAJLN-VOTSOKGWSA-N 1 0 241.294 1.782 50 0 BDAARO C[C@@H](CC(N)=[NH2+])NC(=O)OC(C)(C)C ZINC000042463279 175638664 /nfs/dbraw/zinc/63/86/64/175638664.db2.gz CBEIPUISXAHUIE-LURJTMIESA-N 1 0 201.270 1.226 50 0 BDAARO Nc1cnc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC000072151487 410025776 /nfs/dbraw/zinc/02/57/76/410025776.db2.gz OMZBTMNBJOXFES-UHFFFAOYSA-N 1 0 226.283 1.372 50 0 BDAARO Brc1cncc([C@@H]2C[NH2+]CCO2)c1 ZINC000237973529 166106258 /nfs/dbraw/zinc/10/62/58/166106258.db2.gz NLPNISKHBHOVIL-VIFPVBQESA-N 1 0 243.104 1.505 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]12CCC[NH2+]C2 ZINC000075824153 166654671 /nfs/dbraw/zinc/65/46/71/166654671.db2.gz CSDLLXOIJNMILT-LBPRGKRZSA-N 1 0 226.320 1.749 50 0 BDAARO CC(C)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1=O ZINC000097108830 167025969 /nfs/dbraw/zinc/02/59/69/167025969.db2.gz TWMZDGFVNIJUDQ-SRVKXCTJSA-N 1 0 240.347 1.153 50 0 BDAARO CC(C)[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000020131735 167027122 /nfs/dbraw/zinc/02/71/22/167027122.db2.gz AXHMZPFIRXUQEJ-UHFFFAOYSA-N 1 0 225.317 1.611 50 0 BDAARO CC(C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210795 167083279 /nfs/dbraw/zinc/08/32/79/167083279.db2.gz APBKTHZSPNCTEN-LLVKDONJSA-N 1 0 206.289 1.081 50 0 BDAARO CC(C)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C 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CC1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757655 168160068 /nfs/dbraw/zinc/16/00/68/168160068.db2.gz PNVSYJNQJYTVTA-MOENNCHZSA-N 1 0 224.348 1.762 50 0 BDAARO CC1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019636502 168163000 /nfs/dbraw/zinc/16/30/00/168163000.db2.gz RNAOSUWENUHFKX-UHFFFAOYSA-N 1 0 226.364 1.487 50 0 BDAARO CC1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000335403724 168163210 /nfs/dbraw/zinc/16/32/10/168163210.db2.gz UUNJIWNQXBRQHB-QONHTCSSSA-N 1 0 228.311 1.381 50 0 BDAARO CC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000040473245 168177730 /nfs/dbraw/zinc/17/77/30/168177730.db2.gz SETOSGRMQUJRPN-ZDUSSCGKSA-N 1 0 238.375 1.977 50 0 BDAARO CC1CC[NH+](C[C@@H](O)CNc2ccccn2)CC1 ZINC000096456203 168182147 /nfs/dbraw/zinc/18/21/47/168182147.db2.gz NXGWDFVLZOELLF-ZDUSSCGKSA-N 1 0 249.358 1.586 50 0 BDAARO CC1CC[NH+](C[C@H]2CCC(=O)N2C)CC1 ZINC000225522591 168183266 /nfs/dbraw/zinc/18/32/66/168183266.db2.gz IOVFTOCJZFIPLU-LLVKDONJSA-N 1 0 210.321 1.339 50 0 BDAARO CC1CC[NH+](C[C@H](O)CNc2ccccn2)CC1 ZINC000096456202 168183475 /nfs/dbraw/zinc/18/34/75/168183475.db2.gz NXGWDFVLZOELLF-CYBMUJFWSA-N 1 0 249.358 1.586 50 0 BDAARO CCC(=O)N1CC[C@@H]([NH2+]C2CCCC2)C1 ZINC000095416734 168223371 /nfs/dbraw/zinc/22/33/71/168223371.db2.gz DNOVFROSSCGSRI-LLVKDONJSA-N 1 0 210.321 1.530 50 0 BDAARO CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000054403838 168264067 /nfs/dbraw/zinc/26/40/67/168264067.db2.gz VDBBGJNHAQVYDO-ZACCUICWSA-N 1 0 224.348 1.822 50 0 BDAARO CC[N@@H+]1CC[C@@H](N(C)c2ncccn2)[C@@H](C)C1 ZINC000195531019 170011466 /nfs/dbraw/zinc/01/14/66/170011466.db2.gz BGNHZYLVDSQUNJ-NWDGAFQWSA-N 1 0 234.347 1.643 50 0 BDAARO CC[N@@H+]1CC[C@@H](N(C)c2ncccn2)[C@H](C)C1 ZINC000078332766 170012085 /nfs/dbraw/zinc/01/20/85/170012085.db2.gz BGNHZYLVDSQUNJ-VXGBXAGGSA-N 1 0 234.347 1.643 50 0 BDAARO CCNC(=O)C[N@H+](CC)Cc1ccccc1C ZINC000048353969 170057819 /nfs/dbraw/zinc/05/78/19/170057819.db2.gz AGGPBAWVEIWWSB-UHFFFAOYSA-N 1 0 234.343 1.953 50 0 BDAARO CC[NH2+]Cc1nc(-c2ccc(OC)cc2)no1 ZINC000004487200 170130728 /nfs/dbraw/zinc/13/07/28/170130728.db2.gz KSDCLZJWPCOUEQ-UHFFFAOYSA-N 1 0 233.271 1.855 50 0 BDAARO CCOC(=O)C1CC[NH+](Cc2ccncc2)CC1 ZINC000002563772 170192834 /nfs/dbraw/zinc/19/28/34/170192834.db2.gz LSUOSTHKSMZNTN-UHFFFAOYSA-N 1 0 248.326 1.857 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccccc1F ZINC000005315532 170230752 /nfs/dbraw/zinc/23/07/52/170230752.db2.gz IBFWPUOXJBELLB-SNVBAGLBSA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(OC)c1 ZINC000002582531 170231093 /nfs/dbraw/zinc/23/10/93/170231093.db2.gz PORIRKMXFGLHFJ-LLVKDONJSA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000039105564 170251682 /nfs/dbraw/zinc/25/16/82/170251682.db2.gz WSVIBGQDYIRANC-NSHDSACASA-N 1 0 207.273 1.600 50 0 BDAARO CCOC(=O)[C@@H]1CCCC[C@]12[NH2+]CCS2 ZINC000095933050 170257047 /nfs/dbraw/zinc/25/70/47/170257047.db2.gz YALOUAXWOGQLRS-GXSJLCMTSA-N 1 0 229.345 1.772 50 0 BDAARO CCOC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000039240991 170259261 /nfs/dbraw/zinc/25/92/61/170259261.db2.gz ICWZXKPBSHGFEO-MNOVXSKESA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)[C@]1(Cc2ccncc2)CCC[NH2+]C1 ZINC000015020807 170285950 /nfs/dbraw/zinc/28/59/50/170285950.db2.gz UHEMKEWUSZCAAU-AWEZNQCLSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)c1cccc(OC2C[NH2+]C2)c1 ZINC000038580817 170299177 /nfs/dbraw/zinc/29/91/77/170299177.db2.gz SOLTXVDNKAPAAQ-UHFFFAOYSA-N 1 0 221.256 1.214 50 0 BDAARO CCOCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270770 170399472 /nfs/dbraw/zinc/39/94/72/170399472.db2.gz UVFIPWWKVRCOLG-NSHDSACASA-N 1 0 223.320 1.626 50 0 BDAARO CCOc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC000007986308 170537034 /nfs/dbraw/zinc/53/70/34/170537034.db2.gz SEAOTAWWXMWTKJ-UHFFFAOYSA-N 1 0 248.326 1.649 50 0 BDAARO CC[C@@H]1C[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000022130171 171100702 /nfs/dbraw/zinc/10/07/02/171100702.db2.gz VNZZRCPXJDZCIR-ZJUUUORDSA-N 1 0 228.336 1.899 50 0 BDAARO CC[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087820 171104734 /nfs/dbraw/zinc/10/47/34/171104734.db2.gz ZPHNRRSHARBPKX-SDDRHHMPSA-N 1 0 240.347 1.141 50 0 BDAARO CC[C@@H]1CO[C@@H](C)CN1CC(=O)N(CC)CC ZINC000044888967 171108210 /nfs/dbraw/zinc/10/82/10/171108210.db2.gz UYJRIEJMJMSBQQ-NWDGAFQWSA-N 1 0 242.363 1.354 50 0 BDAARO CC[C@@]1(C)CCC[N@H+](CCOCCO)C1 ZINC000075998415 171198401 /nfs/dbraw/zinc/19/84/01/171198401.db2.gz XIERLRGQUDGKFV-LBPRGKRZSA-N 1 0 215.337 1.507 50 0 BDAARO CC[C@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210798 171335683 /nfs/dbraw/zinc/33/56/83/171335683.db2.gz RSGBNJYQGQOTON-CMPLNLGQSA-N 1 0 220.316 1.471 50 0 BDAARO CC[C@H](C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)on1 ZINC000132316201 171408411 /nfs/dbraw/zinc/40/84/11/171408411.db2.gz JIEDJTYQMLMPTB-DTWKUNHWSA-N 1 0 237.303 1.361 50 0 BDAARO CCc1ccc2ncn(CCC[NH3+])c(=O)c2c1 ZINC000043119831 171851902 /nfs/dbraw/zinc/85/19/02/171851902.db2.gz MZAGDWRMMQDWQZ-UHFFFAOYSA-N 1 0 231.299 1.308 50 0 BDAARO CCc1noc(C)c1C[NH2+][C@H](CO)C(C)C ZINC000097094656 172081061 /nfs/dbraw/zinc/08/10/61/172081061.db2.gz KYLTTWQCOOSVLS-GFCCVEGCSA-N 1 0 226.320 1.652 50 0 BDAARO CCc1oc(C(=O)N2CCC[NH2+]CC2)cc1C ZINC000096482493 172109570 /nfs/dbraw/zinc/10/95/70/172109570.db2.gz PSPKHRJPKYHHPH-UHFFFAOYSA-N 1 0 236.315 1.586 50 0 BDAARO CCn1cc(CN2CCC[C@H](C[NH3+])C2)cn1 ZINC000012357870 172165834 /nfs/dbraw/zinc/16/58/34/172165834.db2.gz RXBPTPBXVPVNGT-LLVKDONJSA-N 1 0 222.336 1.074 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000002556933 172325074 /nfs/dbraw/zinc/32/50/74/172325074.db2.gz XYKYUXYNQDXZTD-MRVPVSSYSA-N 1 0 200.282 1.215 50 0 BDAARO CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000037092836 172325110 /nfs/dbraw/zinc/32/51/10/172325110.db2.gz AXODGGLPFZFCAW-AWEZNQCLSA-N 1 0 246.354 1.957 50 0 BDAARO CN(C)c1cc[n+](Cc2ccccn2)cc1 ZINC000000386981 172546530 /nfs/dbraw/zinc/54/65/30/172546530.db2.gz NSPWNBSCUXJDOV-UHFFFAOYSA-N 1 0 214.292 1.483 50 0 BDAARO C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000002157132 173002863 /nfs/dbraw/zinc/00/28/63/173002863.db2.gz MQHAYMCVXJVJDU-UHFFFAOYSA-N 1 0 232.283 1.231 50 0 BDAARO CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000019536617 173017585 /nfs/dbraw/zinc/01/75/85/173017585.db2.gz YNEDTZQMKQKTRN-UHFFFAOYSA-N 1 0 204.317 1.824 50 0 BDAARO CN1CCO[C@H]([C@@H]([NH3+])c2ccc(Cl)cc2)C1 ZINC000101639889 173108779 /nfs/dbraw/zinc/10/87/79/173108779.db2.gz RHYYQGWSIACSKC-RYUDHWBXSA-N 1 0 240.734 1.670 50 0 BDAARO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)C2=O ZINC000004656478 173198758 /nfs/dbraw/zinc/19/87/58/173198758.db2.gz QKANPQSBUFNOGL-OKILXGFUSA-N 1 0 244.338 1.249 50 0 BDAARO CNC(=O)[C@@H]([NH2+]CCSC(C)(C)C)C(C)C ZINC000241897296 173296996 /nfs/dbraw/zinc/29/69/96/173296996.db2.gz TXMHMGYUHHUSLO-JTQLQIEISA-N 1 0 246.420 1.878 50 0 BDAARO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000215937556 173308470 /nfs/dbraw/zinc/30/84/70/173308470.db2.gz ZPXVXQWGNRWMFH-QMMMGPOBSA-N 1 0 242.706 1.501 50 0 BDAARO CNC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000002513002 173310607 /nfs/dbraw/zinc/31/06/07/173310607.db2.gz MDCWPUNPTDQWBD-UHFFFAOYSA-N 1 0 218.300 1.513 50 0 BDAARO C[NH2+]CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000237193235 173328174 /nfs/dbraw/zinc/32/81/74/173328174.db2.gz MLONGLNCSHUHNL-DGCLKSJQSA-N 1 0 248.326 1.194 50 0 BDAARO C[NH2+]CC(=O)Nc1c(C)cc(C)cc1C ZINC000002661411 173333012 /nfs/dbraw/zinc/33/30/12/173333012.db2.gz ZZXKYJMPUPWGND-UHFFFAOYSA-N 1 0 206.289 1.770 50 0 BDAARO C[NH2+]CC(=O)Nc1cc(F)cc(F)c1 ZINC000019440011 173334409 /nfs/dbraw/zinc/33/44/09/173334409.db2.gz NSGDLZFGGWTLPZ-UHFFFAOYSA-N 1 0 200.188 1.123 50 0 BDAARO C[NH2+]CC(=O)Nc1ccccc1C(F)(F)F ZINC000002650754 173334889 /nfs/dbraw/zinc/33/48/89/173334889.db2.gz AWFQIOMHGADMGU-UHFFFAOYSA-N 1 0 232.205 1.863 50 0 BDAARO C[NH2+]CC(=O)Nc1ccccc1Br ZINC000003298515 173335067 /nfs/dbraw/zinc/33/50/67/173335067.db2.gz LAFVOZYTKJEPJQ-UHFFFAOYSA-N 1 0 243.104 1.607 50 0 BDAARO C[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000011593860 173345127 /nfs/dbraw/zinc/34/51/27/173345127.db2.gz TTYVTUUWVLXDKW-UHFFFAOYSA-N 1 0 202.298 1.511 50 0 BDAARO C[NH2+]CCCNC(=O)CCc1ccc(F)cc1 ZINC000120919999 173347083 /nfs/dbraw/zinc/34/70/83/173347083.db2.gz DYCFVDVLWZUGMO-UHFFFAOYSA-N 1 0 238.306 1.484 50 0 BDAARO C[NH2+]CCCNC(=O)c1cc(C)ccc1F ZINC000052981197 173348613 /nfs/dbraw/zinc/34/86/13/173348613.db2.gz JTURZYKDEJCICQ-UHFFFAOYSA-N 1 0 224.279 1.473 50 0 BDAARO C[NH2+]CCN(C)C[C@H]1CCOc2ccccc2C1 ZINC000095523863 173353199 /nfs/dbraw/zinc/35/31/99/173353199.db2.gz YFGWSZVFHYJSDP-ZDUSSCGKSA-N 1 0 248.370 1.779 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccccc1 ZINC000122574194 173368789 /nfs/dbraw/zinc/36/87/89/173368789.db2.gz VQXKMGVESPEGKK-LBPRGKRZSA-N 1 0 248.326 1.276 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccncc1F ZINC000122570297 173369155 /nfs/dbraw/zinc/36/91/55/173369155.db2.gz LTYCJAQOEZAMGW-VIFPVBQESA-N 1 0 237.278 1.045 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000071144033 173369692 /nfs/dbraw/zinc/36/96/92/173369692.db2.gz KPTZBEITCOCPAC-ZDUSSCGKSA-N 1 0 246.354 1.985 50 0 BDAARO C[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000069797535 173372791 /nfs/dbraw/zinc/37/27/91/173372791.db2.gz HSRFSSLZCICRJK-STQMWFEESA-N 1 0 220.316 1.278 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(C)o2)C1 ZINC000178986832 173380698 /nfs/dbraw/zinc/38/06/98/173380698.db2.gz ICEPEKKWQKUPMN-BTDICHCPSA-N 1 0 248.326 1.669 50 0 BDAARO C[NH2+]Cc1cc(Br)cn1C ZINC000075110474 173385809 /nfs/dbraw/zinc/38/58/09/173385809.db2.gz AMZHJITWFQCLRZ-UHFFFAOYSA-N 1 0 203.083 1.507 50 0 BDAARO C[NH2+]Cc1cc(-c2ccccc2)nn1C ZINC000012370327 173386020 /nfs/dbraw/zinc/38/60/20/173386020.db2.gz QFUHILGXHQHXHY-UHFFFAOYSA-N 1 0 201.273 1.807 50 0 in-vitro BDAARO C[NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000045894460 173394646 /nfs/dbraw/zinc/39/46/46/173394646.db2.gz PGTBXOUAWJYEAS-UHFFFAOYSA-N 1 0 233.227 1.185 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1ccccc1C ZINC000020579349 173702285 /nfs/dbraw/zinc/70/22/85/173702285.db2.gz RZYQLWMZOHZAMK-LLVKDONJSA-N 1 0 207.273 1.285 50 0 BDAARO COC(=O)[C@@](C)(C[NH3+])c1ccc(F)cc1 ZINC000098096548 173754006 /nfs/dbraw/zinc/75/40/06/173754006.db2.gz BXMAZMPTTPAMES-NSHDSACASA-N 1 0 211.236 1.215 50 0 BDAARO COC1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000053907200 174030974 /nfs/dbraw/zinc/03/09/74/174030974.db2.gz AZCPDSGHDNKUGZ-NSHDSACASA-N 1 0 240.347 1.108 50 0 BDAARO COCC1([NH2+][C@H]2CCCNC2)CCCC1 ZINC000067697011 174111124 /nfs/dbraw/zinc/11/11/24/174111124.db2.gz BWUHPZNPLZPRRW-NSHDSACASA-N 1 0 212.337 1.287 50 0 BDAARO COCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069569006 174123768 /nfs/dbraw/zinc/12/37/68/174123768.db2.gz TWVWDDXPHXHTDC-NEPJUHHUSA-N 1 0 240.347 1.108 50 0 BDAARO COCCCCC[NH2+][C@@H](C)[C@H](C)CO ZINC000095941354 174183020 /nfs/dbraw/zinc/18/30/20/174183020.db2.gz YDTLSCPIBFAYMI-MNOVXSKESA-N 1 0 203.326 1.410 50 0 BDAARO COCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000071797205 174231315 /nfs/dbraw/zinc/23/13/15/174231315.db2.gz UBHSDSOFJBQALF-LBPRGKRZSA-N 1 0 223.320 1.594 50 0 BDAARO COCCCOCC[C@H]1CCC[NH2+]C1 ZINC000042772105 174254744 /nfs/dbraw/zinc/25/47/44/174254744.db2.gz IUODXMBACYHSIT-LLVKDONJSA-N 1 0 201.310 1.429 50 0 BDAARO COCC[N@H+](C)Cc1ccc(OC)cc1 ZINC000053399478 174280830 /nfs/dbraw/zinc/28/08/30/174280830.db2.gz RDKMLKJJHGXMRF-UHFFFAOYSA-N 1 0 209.289 1.773 50 0 BDAARO COCC[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000097203346 174305808 /nfs/dbraw/zinc/30/58/08/174305808.db2.gz VAXLBMWYQFZUBF-UHFFFAOYSA-N 1 0 223.320 1.246 50 0 BDAARO COCC[N@@H+]1CCN(Cc2ccccn2)C[C@H]1C ZINC000069840644 174310067 /nfs/dbraw/zinc/31/00/67/174310067.db2.gz KFPYGNRSUDYDSO-CYBMUJFWSA-N 1 0 249.358 1.234 50 0 BDAARO COCC[N@@H+]1CC[C@H](OC(C)=O)[C@H](C)[C@H]1C ZINC000004127447 174315746 /nfs/dbraw/zinc/31/57/46/174315746.db2.gz IJRVCTCXVNZQPX-FOGDFJRCSA-N 1 0 229.320 1.295 50 0 BDAARO COCC[NH2+]CCOc1ccccc1Cl ZINC000002932008 174333145 /nfs/dbraw/zinc/33/31/45/174333145.db2.gz LUKNMSWYIJMOKP-UHFFFAOYSA-N 1 0 229.707 1.955 50 0 BDAARO COCC[NH2+]Cc1ccc(OC)cc1OC ZINC000004700534 174335363 /nfs/dbraw/zinc/33/53/63/174335363.db2.gz ODWITEVIUSAVAP-UHFFFAOYSA-N 1 0 225.288 1.440 50 0 BDAARO COCC[NH2+]Cc1ccc(F)cc1F ZINC000019881120 174335402 /nfs/dbraw/zinc/33/54/02/174335402.db2.gz RAQPRQJXSAFOPJ-UHFFFAOYSA-N 1 0 201.216 1.701 50 0 BDAARO COc1cc(O[C@H]2C[C@H]([NH3+])C2)ccc1F ZINC000261493721 175013330 /nfs/dbraw/zinc/01/33/30/175013330.db2.gz HVEKPIMBOGFEQF-XWEPSHTISA-N 1 0 211.236 1.703 50 0 BDAARO COc1cc2c(cc1OC)C(C)=[N+](C)CC2 ZINC000001754763 175024592 /nfs/dbraw/zinc/02/45/92/175024592.db2.gz RHXIXUWZSTZXOA-UHFFFAOYSA-N 1 0 220.292 1.711 50 0 biogenic BDAARO COc1ccc(-c2noc(CC[NH3+])n2)cc1OC ZINC000008729144 175042866 /nfs/dbraw/zinc/04/28/66/175042866.db2.gz QGODDAWRZCNWFQ-UHFFFAOYSA-N 1 0 249.270 1.255 50 0 BDAARO COc1ccc(/C=C/C(=O)OCC[NH+](C)C)cc1 ZINC000002350140 175047218 /nfs/dbraw/zinc/04/72/18/175047218.db2.gz QZFQTZLNQFIFCU-RMKNXTFCSA-N 1 0 249.310 1.813 50 0 BDAARO COc1ccc(C(=O)[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000036172024 175066189 /nfs/dbraw/zinc/06/61/89/175066189.db2.gz INMKQWNQGRTRHE-JTQLQIEISA-N 1 0 249.310 1.886 50 0 BDAARO COc1ccc(C2=NO[C@H](C[NH3+])C2)cc1 ZINC000069978444 175084983 /nfs/dbraw/zinc/08/49/83/175084983.db2.gz WOBMISYQRUBEMF-JTQLQIEISA-N 1 0 206.245 1.147 50 0 BDAARO COc1ccc(CC[NH3+])cc1Br ZINC000000404235 175090367 /nfs/dbraw/zinc/09/03/67/175090367.db2.gz JHVALSRTUOVNLL-UHFFFAOYSA-N 1 0 230.105 1.959 50 0 BDAARO COc1ccc(C[NH2+][C@@H]2CCOC2)c(OC)c1 ZINC000076683743 175109780 /nfs/dbraw/zinc/10/97/80/175109780.db2.gz CFGLOWRCWXUDSW-LLVKDONJSA-N 1 0 237.299 1.582 50 0 BDAARO COc1ccc(F)c(CNC2CC[NH2+]CC2)c1 ZINC000067802744 175124615 /nfs/dbraw/zinc/12/46/15/175124615.db2.gz GAGSABXSNNFMND-UHFFFAOYSA-N 1 0 238.306 1.676 50 0 BDAARO COc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000079543445 175147492 /nfs/dbraw/zinc/14/74/92/175147492.db2.gz DLMCYMLRKBIBRZ-ZDUSSCGKSA-N 1 0 234.299 1.776 50 0 BDAARO COc1ccc([C@@H]([NH3+])CN(C)C)cc1OC ZINC000019821461 175180027 /nfs/dbraw/zinc/18/00/27/175180027.db2.gz NPBZJCDQBFZTQF-JTQLQIEISA-N 1 0 224.304 1.265 50 0 BDAARO COc1ccc([C@H]2C[C@@H](C)N(C(=O)C[NH3+])C2)cc1 ZINC000237277879 175196983 /nfs/dbraw/zinc/19/69/83/175196983.db2.gz CAWLSRYSNYYPGW-PWSUYJOCSA-N 1 0 248.326 1.358 50 0 BDAARO COc1ccc([C@H]2C[C@H](C)N(C(=O)C[NH3+])C2)cc1 ZINC000237278299 175198225 /nfs/dbraw/zinc/19/82/25/175198225.db2.gz CAWLSRYSNYYPGW-JQWIXIFHSA-N 1 0 248.326 1.358 50 0 BDAARO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH3+])C3 ZINC000074210295 175202360 /nfs/dbraw/zinc/20/23/60/175202360.db2.gz CDQWCODTCBODIH-ZETCQYMHSA-N 1 0 202.257 1.602 50 0 BDAARO COc1ccc2c(c1)C(=O)C[C@@]1(CC[NH2+]C1)O2 ZINC000036141061 175206340 /nfs/dbraw/zinc/20/63/40/175206340.db2.gz JVEYMIOXPRHDCX-CYBMUJFWSA-N 1 0 233.267 1.393 50 0 BDAARO COc1ccc2c(c1)OC1(CC[NH2+]CC1)CC2=O ZINC000011849209 175212864 /nfs/dbraw/zinc/21/28/64/175212864.db2.gz XHBOUXHVNKUCKS-UHFFFAOYSA-N 1 0 247.294 1.783 50 0 BDAARO COc1cccc(-n2cc([C@@H](C)[NH3+])cn2)c1 ZINC000019087987 175238552 /nfs/dbraw/zinc/23/85/52/175238552.db2.gz LTQCPXKGRVPFPA-SECBINFHSA-N 1 0 217.272 1.901 50 0 BDAARO COc1cccc(C[NH+]2CCC(O)CC2)n1 ZINC000069637765 175257220 /nfs/dbraw/zinc/25/72/20/175257220.db2.gz BIFJOJNMVPWNJQ-UHFFFAOYSA-N 1 0 222.288 1.047 50 0 BDAARO COc1cccc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)c1 ZINC000091876542 175261876 /nfs/dbraw/zinc/26/18/76/175261876.db2.gz YSPFPSOHAWWMHM-CABCVRRESA-N 1 0 246.354 1.864 50 0 BDAARO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000000268575 175265951 /nfs/dbraw/zinc/26/59/51/175265951.db2.gz IEMDSULAWKUBMN-CYBMUJFWSA-N 1 0 221.300 1.964 50 0 BDAARO COc1cccc2c3c([nH]c21)CC[NH2+]C3 ZINC000032010058 175306556 /nfs/dbraw/zinc/30/65/56/175306556.db2.gz CNHISIGPFAJKCM-UHFFFAOYSA-N 1 0 202.257 1.822 50 0 BDAARO COc1ccccc1/C=C/C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160239465 175314086 /nfs/dbraw/zinc/31/40/86/175314086.db2.gz VDQNZHYWTZKXEV-NNNHXZLVSA-N 1 0 246.310 1.268 50 0 BDAARO C[C@@H]([NH3+])CCCNC(=O)OC(C)(C)C ZINC000039091354 175805151 /nfs/dbraw/zinc/80/51/51/175805151.db2.gz ZKHKPODEOGTTJH-MRVPVSSYSA-N 1 0 202.298 1.639 50 0 BDAARO C[C@@H](NC(=O)C[NH+](C)C)c1ccccc1 ZINC000012383848 175830697 /nfs/dbraw/zinc/83/06/97/175830697.db2.gz NODTZVZPWQRRRL-SNVBAGLBSA-N 1 0 206.289 1.425 50 0 BDAARO C[C@@H](O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004126513 175979946 /nfs/dbraw/zinc/97/99/46/175979946.db2.gz BTGYFMZRCNIJRW-HIVKSXORSA-N 1 0 209.333 1.926 50 0 BDAARO C[C@@H](Oc1ccc(F)cc1)[C@H](O)CC[NH+](C)C ZINC000005696627 176004378 /nfs/dbraw/zinc/00/43/78/176004378.db2.gz PAJIAAWOFBIJMM-ZWNOBZJWSA-N 1 0 241.306 1.906 50 0 BDAARO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCO2)C1 ZINC000046863144 176098019 /nfs/dbraw/zinc/09/80/19/176098019.db2.gz OFDHKJCTKNUNHD-NEPJUHHUSA-N 1 0 240.347 1.014 50 0 BDAARO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000040710727 176175450 /nfs/dbraw/zinc/17/54/50/176175450.db2.gz QRGQXVUZVXXWAG-YPMHNXCESA-N 1 0 205.301 1.889 50 0 BDAARO C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1C ZINC000086011817 176242619 /nfs/dbraw/zinc/24/26/19/176242619.db2.gz KCVIRWCBBZUZTN-GHMZBOCLSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)CC[NH2+]1 ZINC000179234643 176243733 /nfs/dbraw/zinc/24/37/33/176243733.db2.gz VDLZSPGPGNQPPV-SECBINFHSA-N 1 0 246.301 1.632 50 0 BDAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1n1[nH]c(=O)cc1N ZINC000003882290 176279899 /nfs/dbraw/zinc/27/98/99/176279899.db2.gz KERAHEXBXSFFAC-IWSPIJDZSA-N 1 0 224.308 1.072 50 0 BDAARO C[C@@H]1C[NH+](C[C@@H](O)COC(C)(C)C)C[C@@H](C)O1 ZINC000020725989 176296314 /nfs/dbraw/zinc/29/63/14/176296314.db2.gz FDYNXVJAZKQTGN-IJLUTSLNSA-N 1 0 245.363 1.272 50 0 BDAARO C[C@@H]1C[NH+](Cc2ccccc2N)C[C@@H](C)O1 ZINC000019281668 176307030 /nfs/dbraw/zinc/30/70/30/176307030.db2.gz IAWJSQBDZXHNLE-GHMZBOCLSA-N 1 0 220.316 1.878 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000002386541 176325308 /nfs/dbraw/zinc/32/53/08/176325308.db2.gz DATRVIMZZZVHMP-MRVPVSSYSA-N 1 0 200.282 1.215 50 0 BDAARO C[C@@H]1[C@@H]([NH3+])CC(=O)N1Cc1ccccc1 ZINC000084367773 176494686 /nfs/dbraw/zinc/49/46/86/176494686.db2.gz WAOBUUMLISOCEV-KOLCDFICSA-N 1 0 204.273 1.135 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+]C1CCOCC1 ZINC000134623862 176642679 /nfs/dbraw/zinc/64/26/79/176642679.db2.gz RCPMLSDWDVRXNN-LLVKDONJSA-N 1 0 223.320 1.430 50 0 BDAARO C[C@H]([NH3+])c1ccc(N2CCCS2(=O)=O)cc1 ZINC000019420895 176776360 /nfs/dbraw/zinc/77/63/60/176776360.db2.gz ZYDYTIIIADYIDK-VIFPVBQESA-N 1 0 240.328 1.246 50 0 BDAARO C[C@H](c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000020264257 177033755 /nfs/dbraw/zinc/03/37/55/177033755.db2.gz PEOPJIYWTHRKKU-SNVBAGLBSA-N 1 0 208.280 1.792 50 0 BDAARO C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccccc1 ZINC000068593145 177191877 /nfs/dbraw/zinc/19/18/77/177191877.db2.gz JKSBJAIJUUQUJS-WCQYABFASA-N 1 0 204.317 1.998 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000006780142 177221891 /nfs/dbraw/zinc/22/18/91/177221891.db2.gz UMBWKSXEVUZEMI-DTWKUNHWSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000002583493 177222566 /nfs/dbraw/zinc/22/25/66/177222566.db2.gz FMLPQHJYUZTHQS-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 BDAARO C[C@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062902959 177225408 /nfs/dbraw/zinc/22/54/08/177225408.db2.gz VBTNZRDTPAVZNO-GXFFZTMASA-N 1 0 240.347 1.012 50 0 BDAARO C[C@H]1C[N@H+](CCn2ccnc2)CCC1(F)F ZINC000289844181 177256209 /nfs/dbraw/zinc/25/62/09/177256209.db2.gz PHWTZJBJIRVWTA-JTQLQIEISA-N 1 0 229.274 1.860 50 0 BDAARO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000019505431 177257570 /nfs/dbraw/zinc/25/75/70/177257570.db2.gz SKVPDLVFYFCTFR-TUAOUCFPSA-N 1 0 212.337 1.238 50 0 BDAARO C[C@@H]1CN(C[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000019505433 177259246 /nfs/dbraw/zinc/25/92/46/177259246.db2.gz SKVPDLVFYFCTFR-GRYCIOLGSA-N 1 0 212.337 1.238 50 0 BDAARO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000082164342 177325041 /nfs/dbraw/zinc/32/50/41/177325041.db2.gz WKMNQHVVKMVXIL-DTWKUNHWSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043937691 177376565 /nfs/dbraw/zinc/37/65/65/177376565.db2.gz VSPSYRHBGGJCKH-JOYOIKCWSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[NH2+]C1 ZINC000019409880 177390209 /nfs/dbraw/zinc/39/02/09/177390209.db2.gz NCQGMKPOEJHWRJ-AAEUAGOBSA-N 1 0 244.338 1.964 50 0 BDAARO O=C(NNc1cc[nH+]cc1)c1ccccn1 ZINC000180456701 487902534 /nfs/dbraw/zinc/90/25/34/487902534.db2.gz ZFUYSSCFVCVTKJ-UHFFFAOYSA-N 1 0 214.228 1.234 50 0 BDAARO CCN1CCC([N@H+](C)CCCF)CC1 ZINC000151357649 323015934 /nfs/dbraw/zinc/01/59/34/323015934.db2.gz WYMUMBITWWAMLE-UHFFFAOYSA-N 1 0 202.317 1.762 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CCCC2 ZINC000566859329 323020425 /nfs/dbraw/zinc/02/04/25/323020425.db2.gz UBUWUMAJFZHXTC-LLVKDONJSA-N 1 0 233.315 1.636 50 0 BDAARO CC[N@H+](C/C=C\c1ccccc1)[C@@H]1CCNC1=O ZINC000569669709 323036147 /nfs/dbraw/zinc/03/61/47/323036147.db2.gz OKCUERLRLQJWCC-DEBLGDTFSA-N 1 0 244.338 1.910 50 0 BDAARO C[NH+]1CCC(NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000152124332 323128745 /nfs/dbraw/zinc/12/87/45/323128745.db2.gz SOGHILRGBDOWJJ-JTQLQIEISA-N 1 0 210.321 1.243 50 0 BDAARO CC[NH+](CC)CC1(NC(=O)c2cncnc2)CC1 ZINC000534588265 323154323 /nfs/dbraw/zinc/15/43/23/323154323.db2.gz KSMXOUITDHOTQR-UHFFFAOYSA-N 1 0 248.330 1.081 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc(C)n1 ZINC000534644093 323156557 /nfs/dbraw/zinc/15/65/57/323156557.db2.gz LVSQVLAEDKNOMO-GFCCVEGCSA-N 1 0 233.315 1.262 50 0 BDAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000534667821 323158614 /nfs/dbraw/zinc/15/86/14/323158614.db2.gz SMMAYMBJUOCOGK-SNVBAGLBSA-N 1 0 242.363 1.042 50 0 BDAARO C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(CO)c1 ZINC000534669293 323158724 /nfs/dbraw/zinc/15/87/24/323158724.db2.gz UTYFEYHIMBSBBG-LBPRGKRZSA-N 1 0 245.326 1.554 50 0 BDAARO CC1(C)CCC[C@@H]([NH2+]CCn2ccnn2)C1 ZINC000122501874 323172363 /nfs/dbraw/zinc/17/23/63/323172363.db2.gz DPZGMSZWORRROB-LLVKDONJSA-N 1 0 222.336 1.837 50 0 BDAARO CC(C)[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000249162117 325639535 /nfs/dbraw/zinc/63/95/35/325639535.db2.gz ZFJJQPMTANQPDA-HBNTYKKESA-N 1 0 201.310 1.018 50 0 BDAARO Cc1cc(C[NH2+][C@@H](C)[C@H](C)n2cccn2)on1 ZINC000084124348 488008326 /nfs/dbraw/zinc/00/83/26/488008326.db2.gz LWFFXWTUTRDUGE-QWRGUYRKSA-N 1 0 234.303 1.919 50 0 BDAARO C[N@H+](CCC(C)(C)O)Cc1cccc2nonc21 ZINC000670452539 487505445 /nfs/dbraw/zinc/50/54/45/487505445.db2.gz KAEFHIWWANFHQZ-UHFFFAOYSA-N 1 0 249.314 1.816 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CCC2(C1)CCCCCC2 ZINC000670453190 487507117 /nfs/dbraw/zinc/50/71/17/487507117.db2.gz FUYBPRRRDONHNZ-LLVKDONJSA-N 1 0 224.348 1.907 50 0 BDAARO CC(C)c1cnc(N2CC[C@@H](C[NH+](C)C)C2)nc1 ZINC000670455118 487507928 /nfs/dbraw/zinc/50/79/28/487507928.db2.gz ZKZRHHGEJQADCA-LBPRGKRZSA-N 1 0 248.374 1.988 50 0 BDAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)c1C ZINC000670455924 487509506 /nfs/dbraw/zinc/50/95/06/487509506.db2.gz LXRZEIHYMGQSLY-WDNDVIMCSA-N 1 0 249.358 1.870 50 0 BDAARO Cc1cnc(C[N@H+](C)CCC2(O)CCCC2)cn1 ZINC000670461973 487516379 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/nfs/dbraw/zinc/71/43/64/520714364.db2.gz OCZWNGUMMBGIJR-GFCCVEGCSA-N 1 0 238.306 1.912 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1SC ZINC000247818309 522782260 /nfs/dbraw/zinc/78/22/60/522782260.db2.gz CDPMAKQXGFJHBI-GMTAPVOTSA-N 1 0 233.377 1.210 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCO1 ZINC000245399688 523921271 /nfs/dbraw/zinc/92/12/71/523921271.db2.gz WXMKMTAOMOUXOG-WDEREUQCSA-N 1 0 228.336 1.012 50 0 BDAARO CO[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000244641280 523995491 /nfs/dbraw/zinc/99/54/91/523995491.db2.gz GMSSZVJUMWJVSM-LBPRGKRZSA-N 1 0 249.314 1.131 50 0 BDAARO C[C@H](CNC(=O)C[C@@H]1C=CCC1)[NH+]1CCCC1 ZINC000040522494 524387175 /nfs/dbraw/zinc/38/71/75/524387175.db2.gz UCXVEDAACSCKLL-CHWSQXEVSA-N 1 0 236.359 1.943 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)C[C@H]1C ZINC000248616580 524700988 /nfs/dbraw/zinc/70/09/88/524700988.db2.gz AQDIBQCAKONPGF-FVCCEPFGSA-N 1 0 227.348 1.552 50 0 BDAARO C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC(C)(C)O1 ZINC000227815056 524848037 /nfs/dbraw/zinc/84/80/37/524848037.db2.gz COINJEAYFFAZPR-OUAUKWLOSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000242178845 525304377 /nfs/dbraw/zinc/30/43/77/525304377.db2.gz XBIRKIVJDHTDAJ-NOOOWODRSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@]1(c2ccccc2)CN(C(=O)CC[NH3+])CCO1 ZINC000083889196 525324989 /nfs/dbraw/zinc/32/49/89/525324989.db2.gz LOAVLOSESFJZKX-CQSZACIVSA-N 1 0 248.326 1.109 50 0 BDAARO C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000020230889 536470614 /nfs/dbraw/zinc/47/06/14/536470614.db2.gz CPEUGLUNQVAGDV-UHFFFAOYSA-N 1 0 205.305 1.791 50 0 BDAARO [NH3+]CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000083932940 527157038 /nfs/dbraw/zinc/15/70/38/527157038.db2.gz JHCQLPZTXGKASV-LBPRGKRZSA-N 1 0 236.290 1.318 50 0 BDAARO OCCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000071921839 527537907 /nfs/dbraw/zinc/53/79/07/527537907.db2.gz PWWAZFGJJUPUPD-UHFFFAOYSA-N 1 0 220.316 1.819 50 0 BDAARO CCC([NH3+])(CC)CNC(=O)NC1CCCC1 ZINC000168499572 535189440 /nfs/dbraw/zinc/18/94/40/535189440.db2.gz NMOSXGCCOGSCCL-UHFFFAOYSA-N 1 0 227.352 1.746 50 0 BDAARO CC(C)[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000020265089 535205709 /nfs/dbraw/zinc/20/57/09/535205709.db2.gz SDZISYKRUUHPRE-UHFFFAOYSA-N 1 0 219.332 1.799 50 0 BDAARO c1cncc(-c2nc(CC[C@H]3CC[NH2+]C3)no2)c1 ZINC000096894982 537904001 /nfs/dbraw/zinc/90/40/01/537904001.db2.gz BKSBLGIZZPKEAM-JTQLQIEISA-N 1 0 244.298 1.674 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@@H]([NH3+])C[C@H]1C ZINC000757208752 582559799 /nfs/dbraw/zinc/55/97/99/582559799.db2.gz DAXRXQLVNFBKKN-ISTVAULSSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1cc([C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)[nH]n1 ZINC000685939590 583207640 /nfs/dbraw/zinc/20/76/40/583207640.db2.gz SGJPJTTUMCQXNR-OLZOCXBDSA-N 1 0 249.358 1.934 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+][C@H](CN)C1 ZINC000757210054 586438207 /nfs/dbraw/zinc/43/82/07/586438207.db2.gz HTIRUOIHYRTFRP-QWRGUYRKSA-N 1 0 244.342 1.666 50 0 BDAARO CCOCC[NH2+]Cc1cc(OC)cnc1F ZINC000863984654 589333207 /nfs/dbraw/zinc/33/32/07/589333207.db2.gz XTPRDMWPGSIDTF-UHFFFAOYSA-N 1 0 228.267 1.355 50 0 BDAARO COC(=O)N1CC[NH+](C[C@@H]2C[C@H]2C2CC2)CC1 ZINC000888096034 635368214 /nfs/dbraw/zinc/36/82/14/635368214.db2.gz HQWDURVFTIHMEY-RYUDHWBXSA-N 1 0 238.331 1.417 50 0 BDAARO Cc1cnc([C@H](C)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)o1 ZINC000933735263 631495562 /nfs/dbraw/zinc/49/55/62/631495562.db2.gz HCLRLKCPYFSDRN-SGMGOOAPSA-N 1 0 249.358 1.928 50 0 BDAARO CC[N@@H+]1CCCC[C@H]1CNc1cc(=O)[nH]cn1 ZINC000892460589 632731523 /nfs/dbraw/zinc/73/15/23/632731523.db2.gz PQHLUNJOFKYYMW-JTQLQIEISA-N 1 0 236.319 1.469 50 0 BDAARO c1ccc([C@H]2NCC[N@@H+]3CCC[C@@H]23)cc1 ZINC000023549858 635332715 /nfs/dbraw/zinc/33/27/15/635332715.db2.gz WLVJVWZEFAATBB-QWHCGFSZSA-N 1 0 202.301 1.795 50 0 BDAARO CC(C)c1ncc(CN2CC[C@@H](C[NH3+])C2)cn1 ZINC000426715844 635758478 /nfs/dbraw/zinc/75/84/78/635758478.db2.gz IILVSFNCGONCGX-NSHDSACASA-N 1 0 234.347 1.381 50 0 BDAARO CCOc1cccc2c1OC[C@@H]([C@@H](C)[NH3+])C2 ZINC000675063569 640955445 /nfs/dbraw/zinc/95/54/45/640955445.db2.gz IITOSLYLEAZXOE-KOLCDFICSA-N 1 0 221.300 1.984 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(-c3cncnc3)cc(F)c2O1 ZINC000067867919 642715056 /nfs/dbraw/zinc/71/50/56/642715056.db2.gz DPNDDRVXPMBSOR-NSHDSACASA-N 1 0 245.257 1.545 50 0 BDAARO c1cncc([C@H]2OC[C@@H](C[NH+]3CCCCC3)O2)c1 ZINC000000187172 642750674 /nfs/dbraw/zinc/75/06/74/642750674.db2.gz AJFBYQYWGNVXSV-KGLIPLIRSA-N 1 0 248.326 1.982 50 0 BDAARO C[C@@H](O)C[N@H+](CCc1ccccc1)C[C@H](C)O ZINC000000761377 642804099 /nfs/dbraw/zinc/80/40/99/642804099.db2.gz XHHPEPNGSHCDHQ-BETUJISGSA-N 1 0 237.343 1.293 50 0 BDAARO Cc1ccn(CC[N@@H+](C)Cc2c(C)n[nH]c2C)n1 ZINC000020915509 643067675 /nfs/dbraw/zinc/06/76/75/643067675.db2.gz FQDSOOVIKQWYBI-UHFFFAOYSA-N 1 0 247.346 1.663 50 0 BDAARO CSCCC[N@H+](C)C1CCN(C)CC1 ZINC000002498653 644139174 /nfs/dbraw/zinc/13/91/74/644139174.db2.gz SSTZDADKUZXFKN-UHFFFAOYSA-N 1 0 216.394 1.766 50 0 BDAARO CCCCN(Cc1cccnc1)C(=O)[C@H]1CC[NH2+]1 ZINC000952978195 644449710 /nfs/dbraw/zinc/44/97/10/644449710.db2.gz BCOTYGPVTHPKPA-CYBMUJFWSA-N 1 0 247.342 1.572 50 0 BDAARO Cc1nccnc1C[N@@H+]1C[C@@H](C)[C@](O)(C(C)C)C1 ZINC000091635893 644633299 /nfs/dbraw/zinc/63/32/99/644633299.db2.gz CNPOBDWSFHHJHA-BXUZGUMPSA-N 1 0 249.358 1.624 50 0 BDAARO [NH3+][C@@H](C1CCC1)C1(O)CCC2(CC1)OCCO2 ZINC000958528089 644805895 /nfs/dbraw/zinc/80/58/95/644805895.db2.gz JIIMJKIWZBSBTJ-NSHDSACASA-N 1 0 241.331 1.162 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000379859838 712617903 /nfs/dbraw/zinc/61/79/03/712617903.db2.gz LNLKVPVDTXSGAY-JTQLQIEISA-N 1 0 203.245 1.036 50 0 BDAARO Cn1cncc1-c1cccc2c1CC[NH2+]C2 ZINC000072144238 711115541 /nfs/dbraw/zinc/11/55/41/711115541.db2.gz KYQLWBDTROQGAV-UHFFFAOYSA-N 1 0 213.284 1.733 50 0 BDAARO Cc1cc(-c2ccccc2CC[NH3+])nc(N)n1 ZINC000032534847 711843181 /nfs/dbraw/zinc/84/31/81/711843181.db2.gz MDRYXTBWVYJKBU-UHFFFAOYSA-N 1 0 228.299 1.535 50 0 BDAARO CC[N@H+](Cc1ocnc1C)CC(C)(C)O ZINC000585120847 972150930 /nfs/dbraw/zinc/15/09/30/972150930.db2.gz OQUSZEPCJMMOMD-UHFFFAOYSA-N 1 0 212.293 1.576 50 0 BDAARO C[N@H+](CCC1(O)CCCC1)C[C@H]1CCC(=O)O1 ZINC000823688758 968555501 /nfs/dbraw/zinc/55/55/01/968555501.db2.gz AFUGCINXHVRCRJ-LLVKDONJSA-N 1 0 241.331 1.319 50 0 BDAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cncnc1 ZINC000823777952 968560791 /nfs/dbraw/zinc/56/07/91/968560791.db2.gz UJCMCGBNOIKRCA-LBPRGKRZSA-N 1 0 248.330 1.033 50 0 BDAARO CNC(=O)C[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC000823821099 968561147 /nfs/dbraw/zinc/56/11/47/968561147.db2.gz TZPVMSRRACMOJW-JTQLQIEISA-N 1 0 222.288 1.238 50 0 BDAARO C[N@@H+]1CCCC[C@H]1COc1ncc(Cl)cn1 ZINC000585650778 973916158 /nfs/dbraw/zinc/91/61/58/973916158.db2.gz FCXNAEWPCXNKLY-JTQLQIEISA-N 1 0 241.722 1.993 50 0 BDAARO Cc1nsc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])n1 ZINC000585652148 973917862 /nfs/dbraw/zinc/91/78/62/973917862.db2.gz LHHWWERXNWWLKT-MNOVXSKESA-N 1 0 247.323 1.850 50 0 BDAARO Cc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(N)=O)n1 ZINC000952872010 974054256 /nfs/dbraw/zinc/05/42/56/974054256.db2.gz GVOPOIDKSRKEDN-CHWSQXEVSA-N 1 0 245.326 1.300 50 0 BDAARO [NH3+]CC[C@H]1CN(CCCC(F)(F)F)CCO1 ZINC000687747139 985376162 /nfs/dbraw/zinc/37/61/62/985376162.db2.gz VLHNJBQQKMSQEU-VIFPVBQESA-N 1 0 240.269 1.379 50 0 BDAARO Cc1[nH]ccc1C(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC001506421170 988782360 /nfs/dbraw/zinc/78/23/60/988782360.db2.gz FUDQEXZPEVTLGP-AWEZNQCLSA-N 1 0 249.358 1.737 50 0 BDAARO CSCC(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC001529172458 990334985 /nfs/dbraw/zinc/33/49/85/990334985.db2.gz MHKNXAHDZYRIEO-NSHDSACASA-N 1 0 230.377 1.150 50 0 BDAARO COC(=O)CCC[NH2+][C@]1(C)CCO[C@H]1C ZINC000234530450 343975890 /nfs/dbraw/zinc/97/58/90/343975890.db2.gz IJWPMOZAUYWHEL-GXSJLCMTSA-N 1 0 215.293 1.097 50 0 BDAARO CC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000060191945 187322608 /nfs/dbraw/zinc/32/26/08/187322608.db2.gz JKCCWVVTQBVDNL-LBPRGKRZSA-N 1 0 204.273 1.179 50 0 BDAARO Cc1cc(C[NH2+]C[C@H]2CNc3ccnn3C2)no1 ZINC000058308827 178024106 /nfs/dbraw/zinc/02/41/06/178024106.db2.gz ULWNMZASPYWYRU-JTQLQIEISA-N 1 0 247.302 1.011 50 0 BDAARO CC(C)(C)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000585118224 398172420 /nfs/dbraw/zinc/17/24/20/398172420.db2.gz HHCNKKCCQUUGHY-UHFFFAOYSA-N 1 0 236.315 1.989 50 0 BDAARO Cc1cc(C[NH2+][C@H](C)Cn2cccn2)on1 ZINC000065624285 178036571 /nfs/dbraw/zinc/03/65/71/178036571.db2.gz ATWPUPRBRLPNJJ-SNVBAGLBSA-N 1 0 220.276 1.358 50 0 BDAARO Cc1cc(N2CCCCCC2)nc(N)[nH+]1 ZINC000038258762 178112215 /nfs/dbraw/zinc/11/22/15/178112215.db2.gz GUWFVSKWEDVHLO-UHFFFAOYSA-N 1 0 206.293 1.748 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000097086469 187327237 /nfs/dbraw/zinc/32/72/37/187327237.db2.gz HEUUAYFTZUWFKI-AAEUAGOBSA-N 1 0 226.364 1.929 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000097086467 187327715 /nfs/dbraw/zinc/32/77/15/187327715.db2.gz HEUUAYFTZUWFKI-WCQYABFASA-N 1 0 226.364 1.929 50 0 BDAARO C=C1C(C2N=NC(=S)N2C)=CC=CN1CC ZINC000238852685 187329614 /nfs/dbraw/zinc/32/96/14/187329614.db2.gz HCAFMBQSEOQAGD-UHFFFAOYSA-N 1 0 234.328 1.850 50 0 BDAARO COC(=O)[C@H](C)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000253426243 187330456 /nfs/dbraw/zinc/33/04/56/187330456.db2.gz PZYVGOZGLQRYAJ-DCAQKATOSA-N 1 0 243.347 1.277 50 0 BDAARO Cc1cc(OC[C@H](O)C[NH3+])ccc1Cl ZINC000002685828 178212696 /nfs/dbraw/zinc/21/26/96/178212696.db2.gz GRDZVACAKYVZEP-MRVPVSSYSA-N 1 0 215.680 1.347 50 0 BDAARO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(C)CC1 ZINC000037266976 361801558 /nfs/dbraw/zinc/80/15/58/361801558.db2.gz AGYNSBXPRDXEHX-ZDUSSCGKSA-N 1 0 248.374 1.481 50 0 BDAARO C[C@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCCO1 ZINC000097108769 398237972 /nfs/dbraw/zinc/23/79/72/398237972.db2.gz OVBDUJMULIVHQI-WCQYABFASA-N 1 0 237.347 1.510 50 0 BDAARO Cc1cc([C@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)on1 ZINC000037820257 178265839 /nfs/dbraw/zinc/26/58/39/178265839.db2.gz RZCVOCKESCVREI-WDEREUQCSA-N 1 0 249.314 1.399 50 0 BDAARO CCC(CC)C[NH2+]C[C@](C)(O)c1cnn(C)c1 ZINC000095434042 168361871 /nfs/dbraw/zinc/36/18/71/168361871.db2.gz UDFGSJYKIRLPJN-ZDUSSCGKSA-N 1 0 239.363 1.653 50 0 BDAARO CCC(CC)C[NH2+][C@H]1CCN(C(=O)OC)C1 ZINC000095973168 168364920 /nfs/dbraw/zinc/36/49/20/168364920.db2.gz OFHAQYTVISGGTE-NSHDSACASA-N 1 0 228.336 1.853 50 0 BDAARO Cc1ccc(-c2nnc(CC[NH3+])o2)s1 ZINC000043214550 178341185 /nfs/dbraw/zinc/34/11/85/178341185.db2.gz KDJRFWQFKFYGKW-UHFFFAOYSA-N 1 0 209.274 1.608 50 0 BDAARO Cc1ccc(-n2cc(C[NH2+]CCO)cn2)cc1 ZINC000002025622 178345667 /nfs/dbraw/zinc/34/56/67/178345667.db2.gz WSDCAUHPOMQWGR-UHFFFAOYSA-N 1 0 231.299 1.263 50 0 BDAARO Cc1ccc(-n2cnc3c2CC[NH2+]C3)cc1 ZINC000082940297 178347089 /nfs/dbraw/zinc/34/70/89/178347089.db2.gz UGYZZXGAOBNMQF-UHFFFAOYSA-N 1 0 213.284 1.826 50 0 BDAARO Cc1ccc(-n2nnnc2C[NH3+])cc1Cl ZINC000054744710 178351317 /nfs/dbraw/zinc/35/13/17/178351317.db2.gz WMTAJURROFFPSK-UHFFFAOYSA-N 1 0 223.667 1.083 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])n1C ZINC000070176118 178388696 /nfs/dbraw/zinc/38/86/96/178388696.db2.gz RUUWUGZSRDDLGI-GWCFXTLKSA-N 1 0 249.358 1.533 50 0 BDAARO Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)o1 ZINC000006741105 178387530 /nfs/dbraw/zinc/38/75/30/178387530.db2.gz VGEZXSQEYHDUCR-UHFFFAOYSA-N 1 0 222.288 1.366 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])n1C ZINC000063193703 178387945 /nfs/dbraw/zinc/38/79/45/178387945.db2.gz RVNDHKMVJYHJTP-RYUDHWBXSA-N 1 0 249.358 1.675 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000225582622 178398969 /nfs/dbraw/zinc/39/89/69/178398969.db2.gz JIGUSZOSIJAUIY-AVGNSLFASA-N 1 0 245.326 1.199 50 0 BDAARO CC[NH+](CC)Cc1ccc(C(=O)OC)o1 ZINC000000501047 342689081 /nfs/dbraw/zinc/68/90/81/342689081.db2.gz BZGPZAHMZYQRBB-UHFFFAOYSA-N 1 0 211.261 1.908 50 0 BDAARO C[NH+](C)CCOC(=O)c1c[nH]c2ccccc21 ZINC000000308793 342682865 /nfs/dbraw/zinc/68/28/65/342682865.db2.gz KEAXBWXRFLPMMW-UHFFFAOYSA-N 1 0 232.283 1.886 50 0 BDAARO CCCc1ncc(C[n+]2ccccc2C)c(N)n1 ZINC000000000934 342669418 /nfs/dbraw/zinc/66/94/18/342669418.db2.gz IPZFPROOBOUEIG-UHFFFAOYSA-N 1 0 243.334 1.656 50 0 in-man BDAARO O[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000036141589 538959193 /nfs/dbraw/zinc/95/91/93/538959193.db2.gz GMLFJRPDEDTWNR-PWSUYJOCSA-N 1 0 205.257 1.235 50 0 BDAARO Cc1cc(=O)oc2cc(NC(=O)[C@H](C)[NH3+])ccc12 ZINC000000057544 342672070 /nfs/dbraw/zinc/67/20/70/342672070.db2.gz IWSOXHMIRLSLKT-QMMMGPOBSA-N 1 0 246.266 1.387 50 0 in-vitro BDAARO CCOc1ccccc1C[NH2+]C[C@H](C)O ZINC000000576446 342690551 /nfs/dbraw/zinc/69/05/51/342690551.db2.gz DKTNCPNDCUMXIN-JTQLQIEISA-N 1 0 209.289 1.556 50 0 BDAARO CC[NH+](CC)CCN1c2ccccc2C(=O)C1=O ZINC000002024878 342714746 /nfs/dbraw/zinc/71/47/46/342714746.db2.gz WMHBXPUPWSINQF-UHFFFAOYSA-N 1 0 246.310 1.558 50 0 BDAARO Cc1ccc2c(c1)ncn(C[C@@H](C)[NH+](C)C)c2=O ZINC000584904050 342737224 /nfs/dbraw/zinc/73/72/24/342737224.db2.gz RLTJBFVGBJUAMT-LLVKDONJSA-N 1 0 245.326 1.655 50 0 BDAARO C[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC000004777391 342752174 /nfs/dbraw/zinc/75/21/74/342752174.db2.gz QPIQYPHLLBEUNY-UHFFFAOYSA-N 1 0 208.261 1.104 50 0 BDAARO CN(C)c1ccncc1Br ZINC000035803550 342760807 /nfs/dbraw/zinc/76/08/07/342760807.db2.gz FPSWXPXRLCSGIV-UHFFFAOYSA-N 1 0 201.067 1.910 50 0 BDAARO CCOCCC(=O)N(C)C[C@@H]1CCCC[N@@H+]1C ZINC000584899519 342776978 /nfs/dbraw/zinc/77/69/78/342776978.db2.gz YANGHHALWIVPMF-LBPRGKRZSA-N 1 0 242.363 1.356 50 0 BDAARO OCC[NH2+]Cc1cccc2ccccc21 ZINC000004688969 342750678 /nfs/dbraw/zinc/75/06/78/342750678.db2.gz KQWPAZBEIABRHM-UHFFFAOYSA-N 1 0 201.269 1.922 50 0 BDAARO Nc1ccc([C@@H](O)C[NH+]2CCCC2)cc1 ZINC000009879384 342829070 /nfs/dbraw/zinc/82/90/70/342829070.db2.gz VWLKWDUOBGQVFI-LBPRGKRZSA-N 1 0 206.289 1.398 50 0 BDAARO Nc1ccc([C@H](O)C[NH+]2CCCC2)cc1 ZINC000009969125 342830319 /nfs/dbraw/zinc/83/03/19/342830319.db2.gz VWLKWDUOBGQVFI-GFCCVEGCSA-N 1 0 206.289 1.398 50 0 BDAARO COc1ccc(C[NH2+]CCn2cccn2)cc1F ZINC000042351634 361984102 /nfs/dbraw/zinc/98/41/02/361984102.db2.gz BFGOADQQRXFXTG-UHFFFAOYSA-N 1 0 249.289 1.821 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000011958548 342845224 /nfs/dbraw/zinc/84/52/24/342845224.db2.gz XSJMNAKURPQNGA-NSHDSACASA-N 1 0 206.289 1.917 50 0 BDAARO C[NH2+]Cc1ccc(Br)cn1 ZINC000012370890 342850451 /nfs/dbraw/zinc/85/04/51/342850451.db2.gz DCQLMECRAAGXSD-UHFFFAOYSA-N 1 0 201.067 1.564 50 0 BDAARO CC(C)(C)[NH2+]Cc1ccc(OCCO)cc1 ZINC000012381489 342850748 /nfs/dbraw/zinc/85/07/48/342850748.db2.gz HPERJRAXRBLCKQ-UHFFFAOYSA-N 1 0 223.316 1.946 50 0 BDAARO C[C@H](NC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC000012383850 342850793 /nfs/dbraw/zinc/85/07/93/342850793.db2.gz XKBUNLAOZIGDNT-LBPRGKRZSA-N 1 0 232.327 1.960 50 0 BDAARO CCN(CC)S(=O)(=O)c1ccc(C[NH3+])s1 ZINC000012505068 342852788 /nfs/dbraw/zinc/85/27/88/342852788.db2.gz YJWHIDYOHBDWMR-UHFFFAOYSA-N 1 0 248.373 1.237 50 0 BDAARO COc1cc(C[NH3+])ccc1OC[C@H]1CCCO1 ZINC000014000203 342875709 /nfs/dbraw/zinc/87/57/09/342875709.db2.gz ZSKDHYZLZGYADN-LLVKDONJSA-N 1 0 237.299 1.712 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000219738629 342899314 /nfs/dbraw/zinc/89/93/14/342899314.db2.gz VLVGHDQONOMCST-RYBZSIHZSA-N 1 0 248.301 1.646 50 0 BDAARO COC(=O)Cc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000014632254 342883224 /nfs/dbraw/zinc/88/32/24/342883224.db2.gz ISWDBSTZMCWVHG-LBPRGKRZSA-N 1 0 235.283 1.143 50 0 BDAARO COc1c2c(cc(C[C@H](C)[NH3+])c1OC)OCO2 ZINC000015084405 342891634 /nfs/dbraw/zinc/89/16/34/342891634.db2.gz UQXNREZPUUGSKM-ZETCQYMHSA-N 1 0 239.271 1.322 50 0 BDAARO COc1cncc(Cn2cnc(C)c2C)n1 ZINC000625171190 342900880 /nfs/dbraw/zinc/90/08/80/342900880.db2.gz QQASTPJWPBRFTE-UHFFFAOYSA-N 1 0 218.260 1.347 50 0 BDAARO C[NH+]1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000016605149 342913385 /nfs/dbraw/zinc/91/33/85/342913385.db2.gz IVKCLOOOVZJHQZ-UHFFFAOYSA-N 1 0 232.327 1.440 50 0 BDAARO CCCCC(=O)NC1CC[NH+](CC)CC1 ZINC000016604105 342913418 /nfs/dbraw/zinc/91/34/18/342913418.db2.gz OLSMGCABBSWMBS-UHFFFAOYSA-N 1 0 212.337 1.777 50 0 BDAARO Cc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000069488899 398330006 /nfs/dbraw/zinc/33/00/06/398330006.db2.gz VYAGPDRZUQGJHX-JTQLQIEISA-N 1 0 248.355 1.753 50 0 BDAARO C([C@H]1COC2(CCCC2)O1)[NH+]1CCCC1 ZINC000000185906 398332286 /nfs/dbraw/zinc/33/22/86/398332286.db2.gz HMMOFZMGSCGOHZ-NSHDSACASA-N 1 0 211.305 1.768 50 0 BDAARO CCOc1ccc(OCC)c(NC(=O)C[NH3+])c1 ZINC000019426682 342948580 /nfs/dbraw/zinc/94/85/80/342948580.db2.gz QNTCBCXLPSZTGJ-UHFFFAOYSA-N 1 0 238.287 1.381 50 0 BDAARO O=S(=O)(Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000019472778 342948990 /nfs/dbraw/zinc/94/89/90/342948990.db2.gz WKYFAJIMWRXUNJ-NSHDSACASA-N 1 0 240.328 1.180 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)Nc1nccs1 ZINC000019483189 342949703 /nfs/dbraw/zinc/94/97/03/342949703.db2.gz DVYUPIGMLMFLTJ-SSDOTTSWSA-N 1 0 213.306 1.455 50 0 BDAARO CN(C)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686785 342953996 /nfs/dbraw/zinc/95/39/96/342953996.db2.gz JEQWEJVSTRSPOX-SNVBAGLBSA-N 1 0 205.305 1.615 50 0 BDAARO CCOc1ccc(C[C@H](C[NH3+])C(=O)OC)cc1 ZINC000020579373 342991875 /nfs/dbraw/zinc/99/18/75/342991875.db2.gz ICUPLUGLVHTNHB-LLVKDONJSA-N 1 0 237.299 1.376 50 0 BDAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000020284018 342980257 /nfs/dbraw/zinc/98/02/57/342980257.db2.gz ZYZSDPIYLJWATM-QWRGUYRKSA-N 1 0 248.326 1.395 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000020285473 342980527 /nfs/dbraw/zinc/98/05/27/342980527.db2.gz OCZXOWATVOYDFC-DTWKUNHWSA-N 1 0 219.206 1.480 50 0 BDAARO Clc1nccc(NC2CC[NH2+]CC2)n1 ZINC000020358081 342983634 /nfs/dbraw/zinc/98/36/34/342983634.db2.gz MQQOVMZGPYPNNY-UHFFFAOYSA-N 1 0 212.684 1.294 50 0 BDAARO CCN(Cc1ccccc1)C(=O)C[NH2+]C ZINC000020361047 342983947 /nfs/dbraw/zinc/98/39/47/342983947.db2.gz IUOHNUVEHVIMOZ-UHFFFAOYSA-N 1 0 206.289 1.255 50 0 BDAARO O=C(c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000021951677 343029184 /nfs/dbraw/zinc/02/91/84/343029184.db2.gz RGXBIPKSNLZMRP-UHFFFAOYSA-N 1 0 226.226 1.010 50 0 BDAARO CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000022578859 343051898 /nfs/dbraw/zinc/05/18/98/343051898.db2.gz BVIJISWUEVMWLF-UHFFFAOYSA-N 1 0 218.344 1.867 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000005770854 343054793 /nfs/dbraw/zinc/05/47/93/343054793.db2.gz UEKCCTGUWXNLDT-GFCCVEGCSA-N 1 0 249.310 1.620 50 0 BDAARO COCc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000178574964 187228005 /nfs/dbraw/zinc/22/80/05/187228005.db2.gz DLQHGNDMEUWMFI-LBPRGKRZSA-N 1 0 248.326 1.254 50 0 BDAARO CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023281287 343063192 /nfs/dbraw/zinc/06/31/92/343063192.db2.gz DQXQUKDSAZJXCW-UHFFFAOYSA-N 1 0 232.327 1.393 50 0 BDAARO O=C(NCCF)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023337853 343063774 /nfs/dbraw/zinc/06/37/74/343063774.db2.gz BAFAHBQGSWRWLA-MRVPVSSYSA-N 1 0 242.319 1.872 50 0 BDAARO Cc1ccc(CN(CC(N)=O)C2CC2)cc1 ZINC000027592956 343122276 /nfs/dbraw/zinc/12/22/76/343122276.db2.gz FUNGGTSNDOXNNV-UHFFFAOYSA-N 1 0 218.300 1.445 50 0 BDAARO C[NH2+]Cc1cccc(-c2noc(C)n2)c1 ZINC000004271685 187247034 /nfs/dbraw/zinc/24/70/34/187247034.db2.gz QSOPQWOPMDNJLF-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO Cc1ccc2cccc(OCC[NH3+])c2n1 ZINC000030834315 343208618 /nfs/dbraw/zinc/20/86/18/343208618.db2.gz DUPCODKNXKGSAK-UHFFFAOYSA-N 1 0 202.257 1.881 50 0 BDAARO OCC[NH2+]Cc1c(F)cccc1Cl ZINC000006480229 187248275 /nfs/dbraw/zinc/24/82/75/187248275.db2.gz JLAUTCHMRCYDDQ-UHFFFAOYSA-N 1 0 203.644 1.561 50 0 BDAARO Cc1ccccc1OC[C@H](O)C[N@H+]1CC=CCC1 ZINC000000000794 187244609 /nfs/dbraw/zinc/24/46/09/187244609.db2.gz SHAMZCLZESSQBD-CQSZACIVSA-N 1 0 247.338 1.997 50 0 in-man BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000048324691 343242734 /nfs/dbraw/zinc/24/27/34/343242734.db2.gz BYXKRBNAYFPMBX-LLVKDONJSA-N 1 0 236.315 1.802 50 0 BDAARO C[C@@H](O)C[N@H+](C[C@H](C)O)CC1CCCCC1 ZINC000002498719 343270646 /nfs/dbraw/zinc/27/06/46/343270646.db2.gz IDKZBAVMSJFTQT-TXEJJXNPSA-N 1 0 229.364 1.630 50 0 BDAARO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000004021106 343273051 /nfs/dbraw/zinc/27/30/51/343273051.db2.gz ZZEINKPTFWVMPI-VWYCJHECSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+]CCc1cnn(C)c1 ZINC000158671465 343277831 /nfs/dbraw/zinc/27/78/31/343277831.db2.gz WVMRGOPGWSEFMG-GFCCVEGCSA-N 1 0 247.346 1.228 50 0 BDAARO Clc1cnn(CCC[NH2+][C@H]2CCCOC2)c1 ZINC000390082597 343281167 /nfs/dbraw/zinc/28/11/67/343281167.db2.gz CYVVILYKHHBUJX-NSHDSACASA-N 1 0 243.738 1.695 50 0 BDAARO [NH3+][C@@H]1CCCS(=O)(=O)c2ccccc21 ZINC000036928876 343328111 /nfs/dbraw/zinc/32/81/11/343328111.db2.gz GJYAGSACOOAPDF-SECBINFHSA-N 1 0 211.286 1.254 50 0 BDAARO C[C@@H](CO)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000035602159 343299392 /nfs/dbraw/zinc/29/93/92/343299392.db2.gz WIZHUUSXTOOWCZ-DZGCQCFKSA-N 1 0 248.370 1.621 50 0 BDAARO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCCC1 ZINC000036378393 343317050 /nfs/dbraw/zinc/31/70/50/343317050.db2.gz QCVANXRMOVLNQK-ZDUSSCGKSA-N 1 0 230.311 1.323 50 0 BDAARO COC(=O)COc1ccc([C@H](C)[NH3+])cc1 ZINC000037697461 343351820 /nfs/dbraw/zinc/35/18/20/343351820.db2.gz YRHYQTTZYXWRGB-QMMMGPOBSA-N 1 0 209.245 1.258 50 0 BDAARO [NH3+][C@H]1CC(=O)N(CCCc2ccccc2)C1 ZINC000037719744 343352249 /nfs/dbraw/zinc/35/22/49/343352249.db2.gz FUVIFJVRKBGPQG-LBPRGKRZSA-N 1 0 218.300 1.179 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)Cc1ccccn1 ZINC000036778354 187258707 /nfs/dbraw/zinc/25/87/07/187258707.db2.gz PKPDZGWXWYRTRF-GFCCVEGCSA-N 1 0 235.331 1.413 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000034503671 187257771 /nfs/dbraw/zinc/25/77/71/187257771.db2.gz NZEPWAXJSWYEDV-VIFPVBQESA-N 1 0 214.309 1.653 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000039093695 343382076 /nfs/dbraw/zinc/38/20/76/343382076.db2.gz MWTHZUMWDMOWQO-LDYMZIIASA-N 1 0 212.293 1.263 50 0 BDAARO CC(C)(C[NH3+])NC(=O)OCc1ccccc1 ZINC000039952302 343393835 /nfs/dbraw/zinc/39/38/35/343393835.db2.gz HKVCDZMBQWFWAB-UHFFFAOYSA-N 1 0 222.288 1.650 50 0 BDAARO [NH3+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000041027559 343412287 /nfs/dbraw/zinc/41/22/87/343412287.db2.gz QSQNAXKHJLRDOC-SECBINFHSA-N 1 0 226.270 1.888 50 0 BDAARO C[C@H]([NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000041639410 343422050 /nfs/dbraw/zinc/42/20/50/343422050.db2.gz PSYRJALPHDWLAG-QMMMGPOBSA-N 1 0 219.288 1.990 50 0 BDAARO CNC(=O)CCN1CC[C@@H](C)C(F)(F)C1 ZINC000335713754 136338145 /nfs/dbraw/zinc/33/81/45/136338145.db2.gz GIHTWYGLUAXVQI-MRVPVSSYSA-N 1 0 220.263 1.100 50 0 BDAARO COc1c(Br)cccc1C[NH3+] ZINC000042411372 343436749 /nfs/dbraw/zinc/43/67/49/343436749.db2.gz RFQNUISDIYZSHI-UHFFFAOYSA-N 1 0 216.078 1.916 50 0 BDAARO O=C(OC[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000042768298 343451075 /nfs/dbraw/zinc/45/10/75/343451075.db2.gz KHKFMQHOQJTKCS-JTQLQIEISA-N 1 0 220.272 1.238 50 0 BDAARO CC(C)CC(=O)OCC[C@H]1CCC[NH2+]C1 ZINC000042769128 343451097 /nfs/dbraw/zinc/45/10/97/343451097.db2.gz NEROKQWQTXOETN-LLVKDONJSA-N 1 0 213.321 1.965 50 0 BDAARO COC(=O)c1ccccc1COC[C@H]1CC[NH2+]C1 ZINC000042773826 343452486 /nfs/dbraw/zinc/45/24/86/343452486.db2.gz WMOZNWYCLAMHCQ-NSHDSACASA-N 1 0 249.310 1.599 50 0 BDAARO COC(=O)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775615 343452583 /nfs/dbraw/zinc/45/25/83/343452583.db2.gz HZTVEKKBFZDCCE-SNVBAGLBSA-N 1 0 235.283 1.604 50 0 BDAARO O=c1[nH]c(-c2ccccc2)nc2c1C[NH2+]C2 ZINC000042784334 343453952 /nfs/dbraw/zinc/45/39/52/343453952.db2.gz LUGACZOWTBRIFY-UHFFFAOYSA-N 1 0 213.240 1.040 50 0 BDAARO C[NH+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000044137565 343492967 /nfs/dbraw/zinc/49/29/67/343492967.db2.gz SOFNSBHMEVBTNR-SECBINFHSA-N 1 0 214.309 1.557 50 0 BDAARO [NH3+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000044659940 343511606 /nfs/dbraw/zinc/51/16/06/343511606.db2.gz IHBAOXCCDNCTLW-UTUOFQBUSA-N 1 0 216.284 1.102 50 0 BDAARO CC(C)Cn1cc[nH+]c1NCc1cnnn1C ZINC000280990014 187343110 /nfs/dbraw/zinc/34/31/10/187343110.db2.gz LSRLDWQIBNNVPE-UHFFFAOYSA-N 1 0 234.307 1.280 50 0 BDAARO CC(C)[NH+](CCNC(=O)[C@H]1CCCO1)C(C)C ZINC000048301101 187269452 /nfs/dbraw/zinc/26/94/52/187269452.db2.gz XDABFGFUJNIJLK-GFCCVEGCSA-N 1 0 242.363 1.400 50 0 BDAARO CC(C)[N@H+](C)CCNC(=O)c1ccc(F)cc1 ZINC000054131699 187272058 /nfs/dbraw/zinc/27/20/58/187272058.db2.gz CKWGGLAGZKYMKF-UHFFFAOYSA-N 1 0 238.306 1.896 50 0 BDAARO CC[C@@H](c1ccccc1)n1c(C[NH3+])n[nH]c1=O ZINC000065490876 343786287 /nfs/dbraw/zinc/78/62/87/343786287.db2.gz VDGUEPJZKOXGDC-JTQLQIEISA-N 1 0 232.287 1.030 50 0 BDAARO CN(C)c1ccc(CC2CC[NH2+]CC2)nn1 ZINC000072187505 187276183 /nfs/dbraw/zinc/27/61/83/187276183.db2.gz VOERWGWVHCETBD-UHFFFAOYSA-N 1 0 220.320 1.085 50 0 BDAARO Nc1cc(-c2cccc3ccnn32)ccn1 ZINC000072168057 187276714 /nfs/dbraw/zinc/27/67/14/187276714.db2.gz YMTPLEOCNNGOIG-UHFFFAOYSA-N 1 0 210.240 1.979 50 0 BDAARO COC(=O)[C@H](c1ccccc1)N1CCCC1 ZINC000072588809 187276806 /nfs/dbraw/zinc/27/68/06/187276806.db2.gz NVTLFQBLMSATNO-LBPRGKRZSA-N 1 0 219.284 1.997 50 0 BDAARO C([C@H]1CSCCC[NH2+]1)N1CCCCC1 ZINC000075172952 187277786 /nfs/dbraw/zinc/27/77/86/187277786.db2.gz SDPAUUUOUZICEK-NSHDSACASA-N 1 0 214.378 1.567 50 0 BDAARO C1CCn2c(nnc2C2CC[NH2+]CC2)C1 ZINC000083286513 187284360 /nfs/dbraw/zinc/28/43/60/187284360.db2.gz MJWDIRGKIDJHDC-UHFFFAOYSA-N 1 0 206.293 1.081 50 0 BDAARO C1COC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000071012453 187358475 /nfs/dbraw/zinc/35/84/75/187358475.db2.gz WJUITBOGBUJFFH-ZJUUUORDSA-N 1 0 201.335 1.651 50 0 BDAARO CC1(C)CO[C@H](c2ccccc2)CN1C(=O)C[NH3+] ZINC000157885988 344079288 /nfs/dbraw/zinc/07/92/88/344079288.db2.gz YYVFLRPWOUTNFZ-LBPRGKRZSA-N 1 0 248.326 1.324 50 0 BDAARO CC(C)CCCC[N@@H+]1CCCN(C=O)CC1 ZINC000585136076 344148064 /nfs/dbraw/zinc/14/80/64/344148064.db2.gz PBAHQHZNSSYQIR-UHFFFAOYSA-N 1 0 226.364 1.977 50 0 BDAARO Cc1cc(CN(C)Cc2cc[nH]c(=O)c2)no1 ZINC000585136732 344148828 /nfs/dbraw/zinc/14/88/28/344148828.db2.gz QTTUMUNEHDHFPC-UHFFFAOYSA-N 1 0 233.271 1.716 50 0 BDAARO [NH3+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000038124643 344251437 /nfs/dbraw/zinc/25/14/37/344251437.db2.gz YFBIEVYQASBCDN-ZETCQYMHSA-N 1 0 206.072 1.986 50 0 BDAARO CCc1nc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)ncc1C ZINC000091656810 344283498 /nfs/dbraw/zinc/28/34/98/344283498.db2.gz BMELHSWQYAOUKD-NEPJUHHUSA-N 1 0 246.358 1.521 50 0 BDAARO CCc1cnc(N)nc1NCC[C@@H]1CCC[NH2+]1 ZINC000095372514 344335048 /nfs/dbraw/zinc/33/50/48/344335048.db2.gz JEXAIPKXZIMCQV-JTQLQIEISA-N 1 0 235.335 1.175 50 0 BDAARO C[NH+](C)CCOc1ccc2c(N)n[nH]c2c1 ZINC000072233358 344519029 /nfs/dbraw/zinc/51/90/29/344519029.db2.gz SHQMPUXFGDBAJO-UHFFFAOYSA-N 1 0 220.276 1.086 50 0 BDAARO Cc1ccc(N)c(OCCC[NH+](C)C)c1 ZINC000014629689 178703291 /nfs/dbraw/zinc/70/32/91/178703291.db2.gz FGNLIPUOBZQKNW-UHFFFAOYSA-N 1 0 208.305 1.908 50 0 BDAARO C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[NH3+])C1 ZINC000237574073 187294560 /nfs/dbraw/zinc/29/45/60/187294560.db2.gz ZJTOIHUYCZTUFV-JOYOIKCWSA-N 1 0 236.290 1.694 50 0 BDAARO Cc1ccc(OCC(=O)N2CC[C@H]([NH3+])C2)cc1C ZINC000237694493 187294845 /nfs/dbraw/zinc/29/48/45/187294845.db2.gz IHBIMYHIRLLYPM-LBPRGKRZSA-N 1 0 248.326 1.242 50 0 BDAARO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C[NH3+] ZINC000237572114 187295263 /nfs/dbraw/zinc/29/52/63/187295263.db2.gz AOLYASDGYQUFIV-ONGXEEELSA-N 1 0 236.290 1.489 50 0 BDAARO CC(=O)NC[C@H]1C[NH2+]CC12CCCCC2 ZINC000409419581 344966366 /nfs/dbraw/zinc/96/63/66/344966366.db2.gz ODYVVWLCVXWZSP-LLVKDONJSA-N 1 0 210.321 1.292 50 0 BDAARO Cc1ccc(S(=O)(=O)CCCC[NH3+])cc1 ZINC000020223511 178823609 /nfs/dbraw/zinc/82/36/09/178823609.db2.gz FDNDMNNJRUGQPM-UHFFFAOYSA-N 1 0 227.329 1.508 50 0 BDAARO CSC[C@H](O)C[N@@H+]1C[C@H](C)OCC1(C)C ZINC000249441363 345469996 /nfs/dbraw/zinc/46/99/96/345469996.db2.gz KCUQMDACPUMLBY-VHSXEESVSA-N 1 0 233.377 1.210 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000252463852 345523980 /nfs/dbraw/zinc/52/39/80/345523980.db2.gz HYDQSJYUQCVBSG-RZZPXTMHSA-N 1 0 224.348 1.929 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccncc2Br)C1 ZINC000159892609 345584191 /nfs/dbraw/zinc/58/41/91/345584191.db2.gz LDAKYCWXMPAAMP-SSDOTTSWSA-N 1 0 242.120 1.382 50 0 BDAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC000095978837 345686936 /nfs/dbraw/zinc/68/69/36/345686936.db2.gz UKMVNXMCWCKWRV-SECBINFHSA-N 1 0 226.345 1.878 50 0 BDAARO OC[C@H]1CN(Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000084546377 345924754 /nfs/dbraw/zinc/92/47/54/345924754.db2.gz NESKTYOYCUYPAX-GFCCVEGCSA-N 1 0 240.734 1.106 50 0 BDAARO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cncnc1 ZINC000188038286 187312406 /nfs/dbraw/zinc/31/24/06/187312406.db2.gz DZATYCJFMSAGQY-AWEZNQCLSA-N 1 0 249.358 1.850 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)C1CC1 ZINC000191500470 346032182 /nfs/dbraw/zinc/03/21/82/346032182.db2.gz CTRJEBZQDRGLFZ-MWLCHTKSSA-N 1 0 211.305 1.812 50 0 BDAARO C[C@@H]([NH2+][C@H](C)C1CCC1)c1nnnn1C1CC1 ZINC000192887654 346103890 /nfs/dbraw/zinc/10/38/90/346103890.db2.gz XUGYQXJWABEJJF-RKDXNWHRSA-N 1 0 235.335 1.847 50 0 BDAARO Cc1cccc(C(=O)N2CC[NH2+][C@H](C)C2)c1C ZINC000088059166 179009984 /nfs/dbraw/zinc/00/99/84/179009984.db2.gz QVASEBUEKAHIAJ-LLVKDONJSA-N 1 0 232.327 1.737 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])n1 ZINC000063192689 179008861 /nfs/dbraw/zinc/00/88/61/179008861.db2.gz KVSXMJZKXXBHMD-YPMHNXCESA-N 1 0 247.342 1.732 50 0 BDAARO CC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1 ZINC000012535218 187317456 /nfs/dbraw/zinc/31/74/56/187317456.db2.gz LLZIPBNWTJKZPO-LBPRGKRZSA-N 1 0 247.273 1.785 50 0 BDAARO Cc1cccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)n1 ZINC000042509769 179017466 /nfs/dbraw/zinc/01/74/66/179017466.db2.gz FCCLDFQTBQUQON-GFCCVEGCSA-N 1 0 247.342 1.604 50 0 BDAARO Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000000383081 179017633 /nfs/dbraw/zinc/01/76/33/179017633.db2.gz MKVOKHKZHDTJRB-UHFFFAOYSA-N 1 0 232.327 1.821 50 0 BDAARO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000091496686 179022786 /nfs/dbraw/zinc/02/27/86/179022786.db2.gz QBNLHOANVIRYRH-WCQYABFASA-N 1 0 232.327 1.865 50 0 BDAARO Cc1cccc(CCC(=O)N2CC[NH2+]CC2)c1 ZINC000019684110 179052269 /nfs/dbraw/zinc/05/22/69/179052269.db2.gz JJFJYIUGAFBTNA-UHFFFAOYSA-N 1 0 232.327 1.359 50 0 BDAARO Clc1cnn(CCC[NH2+][C@@H]2CCCOC2)c1 ZINC000390082595 347241695 /nfs/dbraw/zinc/24/16/95/347241695.db2.gz CYVVILYKHHBUJX-LLVKDONJSA-N 1 0 243.738 1.695 50 0 BDAARO Cc1cccc([C@H]([NH3+])c2nccn2C)c1 ZINC000011735120 179199940 /nfs/dbraw/zinc/19/99/40/179199940.db2.gz DZUHZLGWRQAXQE-NSHDSACASA-N 1 0 201.273 1.777 50 0 BDAARO Cc1ccccc1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000082590162 179247505 /nfs/dbraw/zinc/24/75/05/179247505.db2.gz PHLTWZUJKCSSTG-LLVKDONJSA-N 1 0 218.300 1.558 50 0 BDAARO Cc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000019679932 179247338 /nfs/dbraw/zinc/24/73/38/179247338.db2.gz GYPQIIGVRMDLPN-UHFFFAOYSA-N 1 0 218.300 1.431 50 0 BDAARO Cc1ccccc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000002828147 179250098 /nfs/dbraw/zinc/25/00/98/179250098.db2.gz WQPOHJZYJWVOTB-LLVKDONJSA-N 1 0 234.343 1.923 50 0 BDAARO Cc1ccccc1CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000071412701 179259151 /nfs/dbraw/zinc/25/91/51/179259151.db2.gz WLDZWTJFPVHMHO-TZMCWYRMSA-N 1 0 246.354 1.652 50 0 BDAARO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCO1 ZINC000195560584 347646765 /nfs/dbraw/zinc/64/67/65/347646765.db2.gz GJIFTDWKYVQYLM-NEPJUHHUSA-N 1 0 240.347 1.156 50 0 BDAARO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000195579092 347648600 /nfs/dbraw/zinc/64/86/00/347648600.db2.gz KUJGBDJJVHWEOP-CYBMUJFWSA-N 1 0 221.300 1.739 50 0 BDAARO Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000037719087 179280340 /nfs/dbraw/zinc/28/03/40/179280340.db2.gz OVZVJPRIEVZUTR-UHFFFAOYSA-N 1 0 247.342 1.628 50 0 BDAARO Cc1ccccc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000069840649 179273299 /nfs/dbraw/zinc/27/32/99/179273299.db2.gz MPGCLBFVJYGJLP-HNNXBMFYSA-N 1 0 248.370 1.757 50 0 BDAARO Cc1ccccc1[C@@H]1CN(C(=O)C[NH3+])[C@@H](C)CO1 ZINC000237706392 179330375 /nfs/dbraw/zinc/33/03/75/179330375.db2.gz KYJYGOHTVPELHN-AAEUAGOBSA-N 1 0 248.326 1.242 50 0 BDAARO Cc1c[nH+]ccc1N1CC[C@](O)(C(F)F)C1 ZINC000334798236 133747900 /nfs/dbraw/zinc/74/79/00/133747900.db2.gz SBTPDUJFBLFYCX-LLVKDONJSA-N 1 0 228.242 1.596 50 0 BDAARO CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000082666558 323237145 /nfs/dbraw/zinc/23/71/45/323237145.db2.gz AQDAFCXAXXIOCW-JTQLQIEISA-N 1 0 228.336 1.948 50 0 BDAARO Cc1nc[nH]c1CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299770458 180118359 /nfs/dbraw/zinc/11/83/59/180118359.db2.gz VUYUTJUDXXEZPY-NEPJUHHUSA-N 1 0 234.347 1.292 50 0 BDAARO C[C@H]1N(C)CCO[C@@]1(O)c1ccccc1 ZINC000034290676 350262018 /nfs/dbraw/zinc/26/20/18/350262018.db2.gz RQSXOILZKDHRSN-ZYHUDNBSSA-N 1 0 207.273 1.182 50 0 BDAARO Cc1nccn1CC[NH2+][C@H]1CCCSC1 ZINC000163976594 180263482 /nfs/dbraw/zinc/26/34/82/180263482.db2.gz MOIGSVSGOVHEED-NSHDSACASA-N 1 0 225.361 1.677 50 0 BDAARO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1ccco1 ZINC000225426860 350362343 /nfs/dbraw/zinc/36/23/43/350362343.db2.gz DIUNALVAJVVLLR-VIFPVBQESA-N 1 0 246.332 1.075 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000601012715 350329609 /nfs/dbraw/zinc/32/96/09/350329609.db2.gz ZTMYCSZJYFOFQC-DTWKUNHWSA-N 1 0 214.309 1.604 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000601012713 350329708 /nfs/dbraw/zinc/32/97/08/350329708.db2.gz ZTMYCSZJYFOFQC-BDAKNGLRSA-N 1 0 214.309 1.604 50 0 BDAARO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1C[NH3+] ZINC000074942738 180349133 /nfs/dbraw/zinc/34/91/33/180349133.db2.gz ULNUKJVDCAEMRH-ONGXEEELSA-N 1 0 209.293 1.073 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]CCN1CC=CCC1 ZINC000279900046 180340291 /nfs/dbraw/zinc/34/02/91/180340291.db2.gz VXSFXRYLKMVFGN-UHFFFAOYSA-N 1 0 248.374 1.388 50 0 BDAARO c1nnn([C@H]2CCC[NH2+]CC2)c1-c1ncccn1 ZINC000725266166 538093759 /nfs/dbraw/zinc/09/37/59/538093759.db2.gz SISSWGJYISEKRO-JTQLQIEISA-N 1 0 244.302 1.050 50 0 BDAARO Cn1cc(C[NH2+]CC[C@@H]2CCCO2)cn1 ZINC000038054776 350593933 /nfs/dbraw/zinc/59/39/33/350593933.db2.gz GGDISLNOESKPGQ-NSHDSACASA-N 1 0 209.293 1.079 50 0 BDAARO Cc1ccccc1C[N@@H+](CC(N)=O)CC(C)C ZINC000044898852 352488236 /nfs/dbraw/zinc/48/82/36/352488236.db2.gz BKSNXYSWIQDWKL-UHFFFAOYSA-N 1 0 234.343 1.938 50 0 BDAARO CC(C)([NH3+])CCNC(=O)OC(C)(C)C ZINC000039952153 187944448 /nfs/dbraw/zinc/94/44/48/187944448.db2.gz LNUYIIBVIUELNO-UHFFFAOYSA-N 1 0 202.298 1.639 50 0 BDAARO Cn1ncc2cc(OC3CC[NH2+]CC3)ccc21 ZINC000035287433 180826988 /nfs/dbraw/zinc/82/69/88/180826988.db2.gz AOWCIGBTTCNJIW-UHFFFAOYSA-N 1 0 231.299 1.704 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC000012382559 187932397 /nfs/dbraw/zinc/93/23/97/187932397.db2.gz HDXLOTPLOFHQLF-UHFFFAOYSA-N 1 0 236.315 1.882 50 0 BDAARO CC(=O)Nc1ccccc1O[C@H]1CC[NH2+]C1 ZINC000051783805 187954020 /nfs/dbraw/zinc/95/40/20/187954020.db2.gz QXZOPZYIWQPHQC-JTQLQIEISA-N 1 0 220.272 1.386 50 0 BDAARO CC(C)(C)[C@H]([NH2+]C[C@@H]1CC=CCC1)C(N)=O ZINC000195573574 188006206 /nfs/dbraw/zinc/00/62/06/188006206.db2.gz WPRRWLBDEZOFOW-GHMZBOCLSA-N 1 0 224.348 1.832 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000004290299 353142001 /nfs/dbraw/zinc/14/20/01/353142001.db2.gz SFFOUMARWDXTDD-RYUDHWBXSA-N 1 0 232.283 1.369 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CCC[NH2+]CC2)c1 ZINC000052980481 188046917 /nfs/dbraw/zinc/04/69/17/188046917.db2.gz BNOWWGXAPLBSFG-UHFFFAOYSA-N 1 0 236.290 1.570 50 0 BDAARO C(c1nc(C2CC2)no1)[C@@H]1CCC[NH2+]C1 ZINC000054301328 188048389 /nfs/dbraw/zinc/04/83/89/188048389.db2.gz FJVVXUCVHCAXTB-QMMMGPOBSA-N 1 0 207.277 1.489 50 0 BDAARO CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239346 353589834 /nfs/dbraw/zinc/58/98/34/353589834.db2.gz LDVHLERFCSCTGZ-UHFFFAOYSA-N 1 0 232.327 1.571 50 0 BDAARO Fc1ccc(OC[C@@H]2CC[NH2+]C2)cc1F ZINC000039953907 180981306 /nfs/dbraw/zinc/98/13/06/180981306.db2.gz MZTUWRDTMJYPBH-MRVPVSSYSA-N 1 0 213.227 1.953 50 0 BDAARO Fc1cccc2sc(N3CC[NH2+]CC3)nc21 ZINC000011919935 181009649 /nfs/dbraw/zinc/00/96/49/181009649.db2.gz SOJXHLNSZHYCMH-UHFFFAOYSA-N 1 0 237.303 1.845 50 0 BDAARO CC[NH+]1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000054559781 363403973 /nfs/dbraw/zinc/40/39/73/363403973.db2.gz FSNZNDCKIYHXRJ-CMDGGOBGSA-N 1 0 244.338 1.864 50 0 BDAARO CCCCC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000035206776 168742394 /nfs/dbraw/zinc/74/23/94/168742394.db2.gz IEQGWUGUMTYASL-QWRGUYRKSA-N 1 0 212.337 1.823 50 0 BDAARO NC(=[NH2+])NCCCCOc1ccccc1 ZINC000082078908 181189815 /nfs/dbraw/zinc/18/98/15/181189815.db2.gz BCJIIVIYWZNAKM-UHFFFAOYSA-N 1 0 207.277 1.329 50 0 BDAARO NC(=[NH2+])N1CCC(Cc2ccccc2)CC1 ZINC000004287797 181188122 /nfs/dbraw/zinc/18/81/22/181188122.db2.gz BYAUYVJQTAFGKV-UHFFFAOYSA-N 1 0 217.316 1.835 50 0 BDAARO NC(=[NH2+])NCCCCCc1ccccc1 ZINC000069656025 181188957 /nfs/dbraw/zinc/18/89/57/181188957.db2.gz NQLSJUAPMMPBMZ-UHFFFAOYSA-N 1 0 205.305 1.882 50 0 BDAARO NC(=[NH2+])NCc1ccc(Cl)cc1Cl ZINC000002038254 181190789 /nfs/dbraw/zinc/19/07/89/181190789.db2.gz MIZQCZHCPNSFBI-UHFFFAOYSA-N 1 0 218.087 1.976 50 0 BDAARO COc1cc(C[NH+](C)C)cc(OC)c1O ZINC000013651555 355876389 /nfs/dbraw/zinc/87/63/89/355876389.db2.gz BUUOTZKSGGVVAY-UHFFFAOYSA-N 1 0 211.261 1.471 50 0 BDAARO NC(=O)C1CC[NH+](C2CCCCCC2)CC1 ZINC000000757547 181216441 /nfs/dbraw/zinc/21/64/41/181216441.db2.gz NRHSOCSCYQELRP-UHFFFAOYSA-N 1 0 224.348 1.907 50 0 BDAARO COC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035174357 355864559 /nfs/dbraw/zinc/86/45/59/355864559.db2.gz UWQDGTPKIBAHGW-WDEREUQCSA-N 1 0 211.305 1.672 50 0 BDAARO NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000040528257 181222616 /nfs/dbraw/zinc/22/26/16/181222616.db2.gz FDCYHKXTDUEFMC-SNVBAGLBSA-N 1 0 224.329 1.760 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010310873 181233339 /nfs/dbraw/zinc/23/33/39/181233339.db2.gz VDULILNKJGUCOM-NSHDSACASA-N 1 0 204.273 1.309 50 0 BDAARO CCN(CC)C(=O)c1ccc(CC[NH3+])cc1 ZINC000002599325 356366973 /nfs/dbraw/zinc/36/69/73/356366973.db2.gz YPNJSWQKAZEDJY-UHFFFAOYSA-N 1 0 220.316 1.670 50 0 BDAARO CCC[N@@H+]1C[C@H](CC(C)C)NC[C@H]1CCO ZINC000072233385 356374584 /nfs/dbraw/zinc/37/45/84/356374584.db2.gz LDQDZECUPSLLRA-QWHCGFSZSA-N 1 0 228.380 1.467 50 0 BDAARO O=C1N(C2CCCCCC2)C[C@@H]2C[NH2+]CCN12 ZINC000072233424 356374638 /nfs/dbraw/zinc/37/46/38/356374638.db2.gz MHLURVGBOOSBIN-LBPRGKRZSA-N 1 0 237.347 1.419 50 0 BDAARO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000097103587 181280691 /nfs/dbraw/zinc/28/06/91/181280691.db2.gz OJBJXYAEKWGPEK-QWRGUYRKSA-N 1 0 210.321 1.420 50 0 BDAARO NC(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344214 181284323 /nfs/dbraw/zinc/28/43/23/181284323.db2.gz AWOZLZPQDJHDAT-ZDUSSCGKSA-N 1 0 233.315 1.012 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccnc1 ZINC000083368405 538476127 /nfs/dbraw/zinc/47/61/27/538476127.db2.gz PSPZZTWRMQXWQB-CABCVRRESA-N 1 0 240.306 1.830 50 0 BDAARO O=C([C@@H]1CCCC[N@@H+]1CC1CC1)N1CCCC1 ZINC000095418507 538608537 /nfs/dbraw/zinc/60/85/37/538608537.db2.gz YHGCKTADJNMRDW-ZDUSSCGKSA-N 1 0 236.359 1.873 50 0 BDAARO Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(C)C1=O ZINC000095397881 538607110 /nfs/dbraw/zinc/60/71/10/538607110.db2.gz NXVRNKBPFDJDKP-ZIAGYGMSSA-N 1 0 244.338 1.803 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)CCc2cccc(F)c2)C1 ZINC000095971459 538610938 /nfs/dbraw/zinc/61/09/38/538610938.db2.gz GAMHHFBLPQQYDB-GFCCVEGCSA-N 1 0 236.290 1.318 50 0 BDAARO CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC000063852063 357069259 /nfs/dbraw/zinc/06/92/59/357069259.db2.gz NNSNYSPPURDXKW-JTQLQIEISA-N 1 0 210.321 1.245 50 0 BDAARO COC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000000183529 357150554 /nfs/dbraw/zinc/15/05/54/357150554.db2.gz YATGIAFCGMOEFX-HBNTYKKESA-N 1 0 201.310 1.569 50 0 BDAARO COC(=O)c1ccc2cc(CC[NH3+])oc2c1 ZINC000261250239 538860197 /nfs/dbraw/zinc/86/01/97/538860197.db2.gz DQQCXQNBIGMWMG-UHFFFAOYSA-N 1 0 219.240 1.721 50 0 BDAARO CC[C@@H](c1ccncc1)[N@H+](C)C[C@H]1CNC(=O)O1 ZINC000252522910 363585827 /nfs/dbraw/zinc/58/58/27/363585827.db2.gz BJQFSVUXIWCEEF-NEPJUHHUSA-N 1 0 249.314 1.573 50 0 BDAARO COCCC[NH2+]Cc1c(F)cncc1F ZINC000685945928 538887621 /nfs/dbraw/zinc/88/76/21/538887621.db2.gz GMSTZDQMWVVPEE-UHFFFAOYSA-N 1 0 216.231 1.486 50 0 BDAARO C[C@@H]1CCC[C@H](OCC(=O)N2CC[NH2+]CC2)C1 ZINC000020516157 357936753 /nfs/dbraw/zinc/93/67/53/357936753.db2.gz UVCJRMFLEDPTDY-NEPJUHHUSA-N 1 0 240.347 1.014 50 0 BDAARO CCOC(=O)c1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000040449199 357949865 /nfs/dbraw/zinc/94/98/65/357949865.db2.gz VYUFYLACNZGLTJ-SNVBAGLBSA-N 1 0 221.256 1.126 50 0 BDAARO C([C@@H]1CCOC1)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000051997123 358769047 /nfs/dbraw/zinc/76/90/47/358769047.db2.gz VCDLHXWNWGLPBI-XQQFMLRXSA-N 1 0 225.332 1.666 50 0 BDAARO CC[C@@H](O)CN1CCC[N@H+](CC(C)C)CC1 ZINC000075741870 359982400 /nfs/dbraw/zinc/98/24/00/359982400.db2.gz CXIPSWZLGLIMPW-CYBMUJFWSA-N 1 0 228.380 1.421 50 0 BDAARO Cc1cc(C(=O)N(C)C2CC[NH2+]CC2)c(C)o1 ZINC000036283036 360800821 /nfs/dbraw/zinc/80/08/21/360800821.db2.gz YXLTYQXUKCVEAJ-UHFFFAOYSA-N 1 0 236.315 1.720 50 0 BDAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](C2CC2)N1 ZINC000049283158 181340734 /nfs/dbraw/zinc/34/07/34/181340734.db2.gz VGTWVNOYTTYQRY-JTQLQIEISA-N 1 0 227.271 1.494 50 0 BDAARO Cc1ccc(C)c(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000007443064 361710224 /nfs/dbraw/zinc/71/02/24/361710224.db2.gz COCASRKFIINZNS-UHFFFAOYSA-N 1 0 234.343 1.999 50 0 BDAARO [NH3+]CC(=O)Nc1ccc2ccccc2c1 ZINC000000399545 181355450 /nfs/dbraw/zinc/35/54/50/181355450.db2.gz AGKGUZNUTMWZTB-UHFFFAOYSA-N 1 0 200.241 1.737 50 0 in-vitro BDAARO CC(C)(C)NC(=O)NC[C@](C)([NH3+])C(C)(C)C ZINC000725254941 541331995 /nfs/dbraw/zinc/33/19/95/541331995.db2.gz KWZFFPJZQWBLAI-LBPRGKRZSA-N 1 0 229.368 1.848 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(Cl)c(F)c1 ZINC000037030503 181355733 /nfs/dbraw/zinc/35/57/33/181355733.db2.gz XCKHXQJOOKDJRC-UHFFFAOYSA-N 1 0 202.616 1.376 50 0 BDAARO [NH3+]CC1(c2cccc(Br)c2)COC1 ZINC000076686663 181362875 /nfs/dbraw/zinc/36/28/75/181362875.db2.gz ZBKMGNNTWDLXER-UHFFFAOYSA-N 1 0 242.116 1.676 50 0 BDAARO [NH3+]CCC(=O)N1CCCC[C@H]1c1cccnc1 ZINC000083931635 181367087 /nfs/dbraw/zinc/36/70/87/181367087.db2.gz AIZDMGFKLGDLSK-LBPRGKRZSA-N 1 0 233.315 1.484 50 0 biogenic BDAARO [NH3+]CCN1CCO[C@@H](c2ccccc2)C1 ZINC000019729990 181392273 /nfs/dbraw/zinc/39/22/73/181392273.db2.gz JUHWGRNPJSAOJV-GFCCVEGCSA-N 1 0 206.289 1.019 50 0 BDAARO [NH3+]CCOc1ccc(-c2ccco2)nn1 ZINC000061957827 181399297 /nfs/dbraw/zinc/39/92/97/181399297.db2.gz STJJMGXLSJYYJN-UHFFFAOYSA-N 1 0 205.217 1.074 50 0 BDAARO [NH3+]CCc1csc(-c2ncccn2)n1 ZINC000033414622 181413476 /nfs/dbraw/zinc/41/34/76/181413476.db2.gz IERYSWQCSLJGOD-UHFFFAOYSA-N 1 0 206.274 1.101 50 0 in-vitro BDAARO [NH3+]CCc1cc(O)ccc1Br ZINC000044398229 181411510 /nfs/dbraw/zinc/41/15/10/181411510.db2.gz GAKDSUDJRYVKGT-UHFFFAOYSA-N 1 0 216.078 1.656 50 0 BDAARO O=c1[nH]c2ccc(C[NH2+][C@@H]3CCCOC3)cc2[nH]1 ZINC000584885033 369032855 /nfs/dbraw/zinc/03/28/55/369032855.db2.gz IHPDWILYZGESGC-SNVBAGLBSA-N 1 0 247.298 1.537 50 0 BDAARO C[NH+](C)C[C@H](O)CNc1nccc2ccccc21 ZINC000584887158 369036111 /nfs/dbraw/zinc/03/61/11/369036111.db2.gz BTPAFSDHJHEUQC-GFCCVEGCSA-N 1 0 245.326 1.569 50 0 BDAARO [NH3+]C[C@@H]1Cc2cccc(-c3cn[nH]c3)c2O1 ZINC000067805973 181438567 /nfs/dbraw/zinc/43/85/67/181438567.db2.gz OYBUTLLTSFAITA-JTQLQIEISA-N 1 0 215.256 1.339 50 0 BDAARO [NH3+]C[C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000084486475 181457346 /nfs/dbraw/zinc/45/73/46/181457346.db2.gz FEFJBHGNEBOGRH-GFCCVEGCSA-N 1 0 218.300 1.384 50 0 BDAARO c1cnn(C[C@H]2CCC[N@@H+]2C[C@H]2CCCCO2)c1 ZINC000106843343 369195238 /nfs/dbraw/zinc/19/52/38/369195238.db2.gz YMUZQQRZFXONHJ-ZIAGYGMSSA-N 1 0 249.358 1.917 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000020285478 181557525 /nfs/dbraw/zinc/55/75/25/181557525.db2.gz OCZXOWATVOYDFC-IUCAKERBSA-N 1 0 219.206 1.480 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000041028248 181577610 /nfs/dbraw/zinc/57/76/10/181577610.db2.gz LSBGRPBPALRYFA-LLVKDONJSA-N 1 0 222.263 1.389 50 0 BDAARO O=C1C[C@H](C[N@@H+]2CCc3sccc3C2)CN1 ZINC000390828488 371239758 /nfs/dbraw/zinc/23/97/58/371239758.db2.gz RIFMJBWSEAYJFO-VIFPVBQESA-N 1 0 236.340 1.242 50 0 BDAARO [NH3+][C@@H]1c2c(ccc3ccccc32)OC[C@H]1CO ZINC000000167388 181602071 /nfs/dbraw/zinc/60/20/71/181602071.db2.gz DPVMRKPAOPNUIX-YGRLFVJLSA-N 1 0 229.279 1.841 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000033426925 181652266 /nfs/dbraw/zinc/65/22/66/181652266.db2.gz LRHBHZLCNNQRDB-VIFPVBQESA-N 1 0 241.132 1.987 50 0 BDAARO NC(=[NH2+])C[C@@H](O)C(Cl)(Cl)Cl ZINC000096027413 371382311 /nfs/dbraw/zinc/38/23/11/371382311.db2.gz KFEOXBAHPWBRRR-UWTATZPHSA-N 1 0 205.472 1.044 50 0 BDAARO O=C(Cc1cccc(F)c1)N1CCC[NH2+]CC1 ZINC000019281821 182040884 /nfs/dbraw/zinc/04/08/84/182040884.db2.gz LPKKMYJAYBHICR-UHFFFAOYSA-N 1 0 236.290 1.190 50 0 BDAARO O=C(Cc1ccsc1)NCC1CC[NH2+]CC1 ZINC000043220445 182057713 /nfs/dbraw/zinc/05/77/13/182057713.db2.gz GYWCNBZYYMPMLK-UHFFFAOYSA-N 1 0 238.356 1.406 50 0 BDAARO CC(C)C[C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000070618710 205465355 /nfs/dbraw/zinc/46/53/55/205465355.db2.gz FKRKATBGXZXWFJ-CMPLNLGQSA-N 1 0 212.337 1.679 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CC(C)C ZINC000040480803 373304642 /nfs/dbraw/zinc/30/46/42/373304642.db2.gz DGRSTBAYQZQUNE-NSHDSACASA-N 1 0 212.337 1.633 50 0 BDAARO O=C(NCC1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000037250740 182146319 /nfs/dbraw/zinc/14/63/19/182146319.db2.gz LLYXKTBOYKNPTF-NSHDSACASA-N 1 0 210.321 1.435 50 0 BDAARO O=C(NCCC[NH+]1CCCC1)c1cccnc1 ZINC000048236144 182167897 /nfs/dbraw/zinc/16/78/97/182167897.db2.gz CPZNOCZEJVOWFD-UHFFFAOYSA-N 1 0 233.315 1.297 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000040434223 182237966 /nfs/dbraw/zinc/23/79/66/182237966.db2.gz POAITPDWFLPKTR-VIFPVBQESA-N 1 0 224.329 1.478 50 0 BDAARO CO[C@@H]1c2ccccc2C(=O)N1CC[NH+](C)C ZINC000009679550 374196571 /nfs/dbraw/zinc/19/65/71/374196571.db2.gz RLYMPIRTLWFXPA-CYBMUJFWSA-N 1 0 234.299 1.349 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]CC1(O)CCCCC1 ZINC000042539936 374273999 /nfs/dbraw/zinc/27/39/99/374273999.db2.gz MQLLZTJZNPOLFP-GFCCVEGCSA-N 1 0 237.347 1.556 50 0 BDAARO Cc1n[nH]c(C)c1-c1ccc(-n2ccnc2)nn1 ZINC000426423402 206048852 /nfs/dbraw/zinc/04/88/52/206048852.db2.gz LLKKDGZIBPSYEU-UHFFFAOYSA-N 1 0 240.270 1.669 50 0 BDAARO O=C(Nc1cncc(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000333330811 182393432 /nfs/dbraw/zinc/39/34/32/182393432.db2.gz OGOVAEPEMSRYKK-VIFPVBQESA-N 1 0 238.266 1.094 50 0 BDAARO O[C@H](C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000037485757 183028503 /nfs/dbraw/zinc/02/85/03/183028503.db2.gz ZSMUBVZULKRBTO-CYBMUJFWSA-N 1 0 221.300 1.177 50 0 BDAARO OC1(CNc2cccc(F)c2)CC[NH2+]CC1 ZINC000071289184 183022101 /nfs/dbraw/zinc/02/21/01/183022101.db2.gz JUKUNHBPRLZLIH-UHFFFAOYSA-N 1 0 224.279 1.352 50 0 BDAARO OCC1(Cc2ccccc2)CC[NH2+]CC1 ZINC000020444491 183036397 /nfs/dbraw/zinc/03/63/97/183036397.db2.gz CJLRAHJQICUTEV-UHFFFAOYSA-N 1 0 205.301 1.591 50 0 BDAARO OCCC[NH2+][C@H]1CCc2cc3c(cc21)OCCO3 ZINC000095419177 183060390 /nfs/dbraw/zinc/06/03/90/183060390.db2.gz POWLULTVDWDDHB-LBPRGKRZSA-N 1 0 249.310 1.417 50 0 BDAARO OCC[NH+](CCO)Cc1ccc(Cl)cc1 ZINC000000280310 183066928 /nfs/dbraw/zinc/06/69/28/183066928.db2.gz MKGGXTPUSBBBSN-UHFFFAOYSA-N 1 0 229.707 1.127 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000050116759 183119572 /nfs/dbraw/zinc/11/95/72/183119572.db2.gz MDYAXSRODRUZOJ-JTQLQIEISA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000000757183 183121060 /nfs/dbraw/zinc/12/10/60/183121060.db2.gz BKEJZQJWZQPDOH-JTQLQIEISA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@H]1Cc2c3ccccc3[nH]c2C[NH2+]1 ZINC000039628271 183156229 /nfs/dbraw/zinc/15/62/29/183156229.db2.gz SLRQJRPWAKPLJN-MRVPVSSYSA-N 1 0 202.257 1.175 50 0 BDAARO O[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000023282325 183192600 /nfs/dbraw/zinc/19/26/00/183192600.db2.gz HBTFDMIGXUNMLN-CQSZACIVSA-N 1 0 217.312 1.611 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH+]1CCC(CF)CC1 ZINC000336253941 183231762 /nfs/dbraw/zinc/23/17/62/183231762.db2.gz ZHTSCOWMEFRMAO-RYUDHWBXSA-N 1 0 215.312 1.971 50 0 BDAARO O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100022078 183213683 /nfs/dbraw/zinc/21/36/83/183213683.db2.gz QBGJTVIWVSLDFA-WDNDVIMCSA-N 1 0 217.312 1.889 50 0 BDAARO CCCN(CC[NH3+])C(=O)OC(C)(C)C ZINC000012953673 169158669 /nfs/dbraw/zinc/15/86/69/169158669.db2.gz XQUOSTRRFPZQLE-UHFFFAOYSA-N 1 0 202.298 1.592 50 0 BDAARO c1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)ccn1 ZINC000020016813 183332942 /nfs/dbraw/zinc/33/29/42/183332942.db2.gz RDJMFNAOKGYNOB-JTQLQIEISA-N 1 0 230.271 1.599 50 0 BDAARO CCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000048374169 169203884 /nfs/dbraw/zinc/20/38/84/169203884.db2.gz KICCUDGUWLZKHY-UHFFFAOYSA-N 1 0 219.332 1.609 50 0 BDAARO CCCNC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000058018050 169223004 /nfs/dbraw/zinc/22/30/04/169223004.db2.gz IUNUTYZIPHKMRS-PHIMTYICSA-N 1 0 212.337 1.491 50 0 BDAARO c1cc(C2CC2)nc(N[C@@H]2CC[NH2+]C2)n1 ZINC000096663773 183335138 /nfs/dbraw/zinc/33/51/38/183335138.db2.gz WYVWKSJFUIAHAB-SECBINFHSA-N 1 0 204.277 1.128 50 0 BDAARO CCCNC(=O)NC1CC[NH+](CC)CC1 ZINC000006730970 169236246 /nfs/dbraw/zinc/23/62/46/169236246.db2.gz QSRRLFAVLDGIAB-UHFFFAOYSA-N 1 0 213.325 1.180 50 0 BDAARO c1c(N2CC[NH2+]CC2)n[nH]c1-c1ccccc1 ZINC000062669896 183379084 /nfs/dbraw/zinc/37/90/84/183379084.db2.gz VXIPBLYYBOIOEK-UHFFFAOYSA-N 1 0 228.299 1.486 50 0 BDAARO c1ccc(-c2cn[n+]3ccccc3n2)cc1 ZINC000000401852 183380971 /nfs/dbraw/zinc/38/09/71/183380971.db2.gz POYWUISDAZYWMM-UHFFFAOYSA-N 1 0 208.244 1.882 50 0 BDAARO CCCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000002134508 169248990 /nfs/dbraw/zinc/24/89/90/169248990.db2.gz CVCDKHDTHVZZKC-GFCCVEGCSA-N 1 0 245.326 1.564 50 0 biogenic BDAARO c1ccc(CCOCCC[NH+]2CCOCC2)cc1 ZINC000051151157 183394683 /nfs/dbraw/zinc/39/46/83/183394683.db2.gz NYLFHEHSXABQGI-UHFFFAOYSA-N 1 0 249.354 1.968 50 0 BDAARO CCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)n1C ZINC000004588467 169277235 /nfs/dbraw/zinc/27/72/35/169277235.db2.gz DOYPTKOCQBQOCS-JTQLQIEISA-N 1 0 245.326 1.994 50 0 BDAARO CCC[NH2+][C@H]1CCc2nc(N)sc2C1 ZINC000003781664 169292998 /nfs/dbraw/zinc/29/29/98/169292998.db2.gz FASDKYOPVNHBLU-ZETCQYMHSA-N 1 0 211.334 1.582 50 0 fda BDAARO c1cn(Cc2cscn2)c(C2CC[NH2+]CC2)n1 ZINC000096032252 183472920 /nfs/dbraw/zinc/47/29/20/183472920.db2.gz KNMNYNDEQVNTEP-UHFFFAOYSA-N 1 0 248.355 1.855 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000021298730 166644661 /nfs/dbraw/zinc/64/46/61/166644661.db2.gz HWLNKJXLGQVMJH-UHFFFAOYSA-N 1 0 226.320 1.607 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000021300794 166646950 /nfs/dbraw/zinc/64/69/50/166646950.db2.gz NRADOPGBTAJXKB-UHFFFAOYSA-N 1 0 226.320 1.607 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC2)C1 ZINC000072194489 166653500 /nfs/dbraw/zinc/65/35/00/166653500.db2.gz KYEGQEQHIFRJSY-JTQLQIEISA-N 1 0 226.320 1.748 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CC[NH2+]C1 ZINC000004203934 166662123 /nfs/dbraw/zinc/66/21/23/166662123.db2.gz WIEJVMZWPIUWHO-QMMMGPOBSA-N 1 0 200.282 1.121 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000035051067 383825038 /nfs/dbraw/zinc/82/50/38/383825038.db2.gz YIRBOOICRQFSOK-LLVKDONJSA-N 1 0 207.273 1.713 50 0 BDAARO [NH3+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000000859258 383882527 /nfs/dbraw/zinc/88/25/27/383882527.db2.gz NLDZKMXGSNKPTM-LBPRGKRZSA-N 1 0 217.268 1.538 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC000113038270 383963849 /nfs/dbraw/zinc/96/38/49/383963849.db2.gz HODGRZURVLFVKM-OPRDCNLKSA-N 1 0 226.320 1.509 50 0 BDAARO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH3+] ZINC000002454832 383964405 /nfs/dbraw/zinc/96/44/05/383964405.db2.gz DNRVVNWLPSBPDV-WDEREUQCSA-N 1 0 223.316 1.899 50 0 BDAARO C[C@@H]([NH3+])CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766378 384014146 /nfs/dbraw/zinc/01/41/46/384014146.db2.gz UJFLLHGLGKOYLB-LLVKDONJSA-N 1 0 247.342 1.963 50 0 BDAARO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000004203357 384045258 /nfs/dbraw/zinc/04/52/58/384045258.db2.gz KLQYKJMMAPSQCP-YPMHNXCESA-N 1 0 233.311 1.928 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CCCOC1 ZINC000309573765 384028279 /nfs/dbraw/zinc/02/82/79/384028279.db2.gz OICZKMBJCFDHAR-XQQFMLRXSA-N 1 0 226.364 1.485 50 0 BDAARO [NH3+]CCc1csc(-c2cccnc2)n1 ZINC000003883062 384030702 /nfs/dbraw/zinc/03/07/02/384030702.db2.gz PZKIIHTUOGOFKQ-UHFFFAOYSA-N 1 0 205.286 1.706 50 0 BDAARO COc1cc(CC(C)(C)[NH3+])cc(OC)c1 ZINC000098099481 384058486 /nfs/dbraw/zinc/05/84/86/384058486.db2.gz ZJWOWWCKUPNSCA-UHFFFAOYSA-N 1 0 209.289 1.984 50 0 BDAARO COC[C@@H](C)Oc1cc(C)ccc1C[NH3+] ZINC000069734855 384060075 /nfs/dbraw/zinc/06/00/75/384060075.db2.gz PJEIIEALXLFSSG-SNVBAGLBSA-N 1 0 209.289 1.867 50 0 BDAARO CN1CCCN(CC[NH+](C)C)c2ccccc21 ZINC000257185910 384060485 /nfs/dbraw/zinc/06/04/85/384060485.db2.gz XYNUAJLJNBWXMI-UHFFFAOYSA-N 1 0 233.359 1.895 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@@H]2CC1 ZINC000090635805 384066330 /nfs/dbraw/zinc/06/63/30/384066330.db2.gz UAPBLNAOCMMCAZ-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]CCC[C@@H]21 ZINC000091302528 384115244 /nfs/dbraw/zinc/11/52/44/384115244.db2.gz FDFLOMHRKLYFOT-BDAKNGLRSA-N 1 0 212.293 1.358 50 0 BDAARO COC(=O)C1(C[NH2+]C2CCC2)CCOCC1 ZINC000097372950 384175488 /nfs/dbraw/zinc/17/54/88/384175488.db2.gz GPWAUCWGKZXOOT-UHFFFAOYSA-N 1 0 227.304 1.098 50 0 BDAARO Cc1ccsc1[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849892 384160222 /nfs/dbraw/zinc/16/02/22/384160222.db2.gz GYRJLSVWJCHMOY-PWSUYJOCSA-N 1 0 241.356 1.859 50 0 BDAARO Clc1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000071792300 384180048 /nfs/dbraw/zinc/18/00/48/384180048.db2.gz JRXFRRAVHNPHTL-RYUDHWBXSA-N 1 0 222.719 1.886 50 0 BDAARO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237445149 384201301 /nfs/dbraw/zinc/20/13/01/384201301.db2.gz CTGFMMOQFLSOGD-NEPJUHHUSA-N 1 0 240.347 1.267 50 0 BDAARO C[C@@H](C1CC1)[N@H+](C)CC(=O)N(C)C1CC1 ZINC000071825431 384204024 /nfs/dbraw/zinc/20/40/24/384204024.db2.gz RKOZWDUXZDHYGX-VIFPVBQESA-N 1 0 210.321 1.338 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096159 384190878 /nfs/dbraw/zinc/19/08/78/384190878.db2.gz ILPFWQCDPNQJSJ-NSHDSACASA-N 1 0 223.320 1.685 50 0 BDAARO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc3n[nH]nc32)C1 ZINC000072477353 384223331 /nfs/dbraw/zinc/22/33/31/384223331.db2.gz XKTZHACOLBRJIF-JGVFFNPUSA-N 1 0 245.286 1.024 50 0 BDAARO CC(=O)Nc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773015 384242630 /nfs/dbraw/zinc/24/26/30/384242630.db2.gz MVDOCXMYBDMFPC-LLVKDONJSA-N 1 0 234.299 1.633 50 0 BDAARO COC(=O)c1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042773120 384243509 /nfs/dbraw/zinc/24/35/09/384243509.db2.gz UHCYZACRIUNVIF-JTQLQIEISA-N 1 0 235.283 1.462 50 0 BDAARO C[C@@H](NCC[NH3+])c1cccc(F)c1F ZINC000235193959 384245155 /nfs/dbraw/zinc/24/51/55/384245155.db2.gz ZLBNPZORIFTPMG-SSDOTTSWSA-N 1 0 200.232 1.574 50 0 BDAARO COC(=O)c1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000042772753 384241954 /nfs/dbraw/zinc/24/19/54/384241954.db2.gz CBRTZMWTYINZPA-SNVBAGLBSA-N 1 0 235.283 1.462 50 0 BDAARO COCCc1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000042771228 384241963 /nfs/dbraw/zinc/24/19/63/384241963.db2.gz WPWUPUAWPVNDQG-ZDUSSCGKSA-N 1 0 235.327 1.864 50 0 BDAARO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000158058338 384311012 /nfs/dbraw/zinc/31/10/12/384311012.db2.gz ORYFOXLVSFKUEC-XCBNKYQSSA-N 1 0 236.319 1.037 50 0 BDAARO C[C@H]1[C@@H](O)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335376023 384282888 /nfs/dbraw/zinc/28/28/88/384282888.db2.gz QEUARENZXVLZLC-WPRPVWTQSA-N 1 0 219.275 1.877 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000299739624 384283413 /nfs/dbraw/zinc/28/34/13/384283413.db2.gz QQEHSWQIBKMLQZ-IRCOFANPSA-N 1 0 240.347 1.140 50 0 BDAARO [NH3+]CCc1nc(-c2ccccn2)cs1 ZINC000011887251 384300985 /nfs/dbraw/zinc/30/09/85/384300985.db2.gz STIRJTZFRKEHMZ-UHFFFAOYSA-N 1 0 205.286 1.706 50 0 BDAARO [NH3+]C[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000011920024 384301850 /nfs/dbraw/zinc/30/18/50/384301850.db2.gz QOLMBFOCCBCENO-QMMMGPOBSA-N 1 0 224.691 1.652 50 0 BDAARO Cc1cc2ccccc2c(NC[C@@H](O)CO)[nH+]1 ZINC000097103096 384355785 /nfs/dbraw/zinc/35/57/85/384355785.db2.gz NQWGICSNKUETFS-LLVKDONJSA-N 1 0 232.283 1.308 50 0 BDAARO CC(C)(C)OC(=O)N[C@]1(C)C[NH2+]CC12CC2 ZINC000095831179 384403498 /nfs/dbraw/zinc/40/34/98/384403498.db2.gz BHLVLQHHOVKCOT-LLVKDONJSA-N 1 0 226.320 1.653 50 0 BDAARO [NH3+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000095882041 384405599 /nfs/dbraw/zinc/40/55/99/384405599.db2.gz DKKLHJPVCAKOMY-SNVBAGLBSA-N 1 0 232.262 1.358 50 0 BDAARO COCc1n[nH]c([C@H]([NH3+])Cc2ccccc2)n1 ZINC000095534876 384380622 /nfs/dbraw/zinc/38/06/22/384380622.db2.gz GTFRPSQKSYZOBR-SNVBAGLBSA-N 1 0 232.287 1.194 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000095742601 384389860 /nfs/dbraw/zinc/38/98/60/384389860.db2.gz PQJOHBZTOIMHCM-ZETCQYMHSA-N 1 0 236.262 1.508 50 0 BDAARO c1ccc2c(c1)CCO[C@H]2C1=[NH+]CCN1 ZINC000000197825 384480790 /nfs/dbraw/zinc/48/07/90/384480790.db2.gz HHEQNBNKCSRYCP-LLVKDONJSA-N 1 0 202.257 1.302 50 0 BDAARO COC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000097054160 384492727 /nfs/dbraw/zinc/49/27/27/384492727.db2.gz BOPFMTGEJBATKF-LLVKDONJSA-N 1 0 211.305 1.957 50 0 BDAARO Cc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000019201110 384513229 /nfs/dbraw/zinc/51/32/29/384513229.db2.gz GZRKBYUICLDFCD-CQSZACIVSA-N 1 0 233.359 1.242 50 0 BDAARO CC[C@@H]([NH3+])c1ccccc1OCC(=O)NC ZINC000019277939 384516544 /nfs/dbraw/zinc/51/65/44/384516544.db2.gz KEJOEEOJHLKCDO-SNVBAGLBSA-N 1 0 222.288 1.221 50 0 BDAARO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000019362060 384516816 /nfs/dbraw/zinc/51/68/16/384516816.db2.gz KPUFYSBGJJQBJI-DGCLKSJQSA-N 1 0 220.316 1.407 50 0 BDAARO CCc1ccc(CNCC[NH2+]C[C@H](C)O)cc1 ZINC000019370640 384519657 /nfs/dbraw/zinc/51/96/57/384519657.db2.gz LVSVHSNVCDDROX-LBPRGKRZSA-N 1 0 236.359 1.309 50 0 BDAARO CNc1cc([C@H]2CCCC[NH2+]2)nc(C)n1 ZINC000019686826 384531017 /nfs/dbraw/zinc/53/10/17/384531017.db2.gz KVXFJCZBCLRUGM-SECBINFHSA-N 1 0 206.293 1.641 50 0 BDAARO Cn1nc([C@@H]2CCC[NH2+]C2)c2cccnc21 ZINC000019686106 384531324 /nfs/dbraw/zinc/53/13/24/384531324.db2.gz ZLLYALSPOVQFQZ-SECBINFHSA-N 1 0 216.288 1.435 50 0 BDAARO C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000019850773 384546408 /nfs/dbraw/zinc/54/64/08/384546408.db2.gz FMZRRIHWLOAPQX-CYBMUJFWSA-N 1 0 220.316 1.279 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000019904428 384553102 /nfs/dbraw/zinc/55/31/02/384553102.db2.gz LMSCOAJNKRDPDJ-SNVBAGLBSA-N 1 0 236.315 1.770 50 0 BDAARO CC[N@@H+]1CCN(c2cc(Cl)ncn2)[C@H](C)C1 ZINC000098213703 384606832 /nfs/dbraw/zinc/60/68/32/384606832.db2.gz ALFIOFMDQPZFPD-SECBINFHSA-N 1 0 240.738 1.660 50 0 BDAARO O=C1Nc2ccccc2[C@H]1C1CC[NH2+]CC1 ZINC000100017057 384609232 /nfs/dbraw/zinc/60/92/32/384609232.db2.gz AQEMSEIARDSIFX-GFCCVEGCSA-N 1 0 216.284 1.722 50 0 BDAARO O=C(c1ccc(Cl)o1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000081213896 384609593 /nfs/dbraw/zinc/60/95/93/384609593.db2.gz GTUIQNHJSXQMKW-YUMQZZPRSA-N 1 0 240.690 1.224 50 0 in-man BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH3+])C[C@@H]2C1 ZINC000100132922 384619363 /nfs/dbraw/zinc/61/93/63/384619363.db2.gz DPYIUHWPQGIBSS-MYJAWHEDSA-N 1 0 226.320 1.591 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH3+])CC1 ZINC000082350124 384673034 /nfs/dbraw/zinc/67/30/34/384673034.db2.gz RBXNJDUXLOZOIR-SNVBAGLBSA-N 1 0 228.336 1.982 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C2(CC2)C1 ZINC000082372490 384674945 /nfs/dbraw/zinc/67/49/45/384674945.db2.gz FNODMLLSUDSGEV-QMMMGPOBSA-N 1 0 212.293 1.345 50 0 BDAARO CSc1nnc(SCC(N)=[NH2+])s1 ZINC000082164201 384651643 /nfs/dbraw/zinc/65/16/43/384651643.db2.gz PVVQHWAOQPBQLA-UHFFFAOYSA-N 1 0 220.348 1.288 50 0 BDAARO CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000095452820 384657762 /nfs/dbraw/zinc/65/77/62/384657762.db2.gz SDPSGVJOTFDWEW-QWRGUYRKSA-N 1 0 225.336 1.132 50 0 BDAARO CC(C)(C)[C@@H]([NH3+])C(=O)Nc1cccnc1 ZINC000077488017 384704614 /nfs/dbraw/zinc/70/46/14/384704614.db2.gz CEQZQVWGCYVGFM-VIFPVBQESA-N 1 0 207.277 1.394 50 0 BDAARO c1cncc(-c2n[nH]c([C@H]3CCCC[NH2+]3)n2)c1 ZINC000082752731 384710101 /nfs/dbraw/zinc/71/01/01/384710101.db2.gz IETQYZUOWCWVHW-SNVBAGLBSA-N 1 0 229.287 1.681 50 0 BDAARO c1ccc2c(c1)CC[C@H]2N1CC[NH2+]CC1 ZINC000022798687 384776984 /nfs/dbraw/zinc/77/69/84/384776984.db2.gz PWOUAMWQYHOLIB-CYBMUJFWSA-N 1 0 202.301 1.579 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059197 384780798 /nfs/dbraw/zinc/78/07/98/384780798.db2.gz MQJVTDWIUHKUQB-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO CN[C@H](c1ccncc1)[C@@H]([NH2+]C)c1ccncc1 ZINC000022911695 384778897 /nfs/dbraw/zinc/77/88/97/384778897.db2.gz PQABABVPLVDKKK-OKILXGFUSA-N 1 0 242.326 1.698 50 0 in-vitro BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000083050237 384736996 /nfs/dbraw/zinc/73/69/96/384736996.db2.gz NVINVTWMFWHTFK-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[NH2+]C[C@H]2C1 ZINC000083339323 384759786 /nfs/dbraw/zinc/75/97/86/384759786.db2.gz XMNLSMUWYYKSRJ-MNOVXSKESA-N 1 0 240.347 1.853 50 0 BDAARO C[N@H+](CC(=O)NC(C)(C)C)CC1(O)CCCC1 ZINC000084170148 384761561 /nfs/dbraw/zinc/76/15/61/384761561.db2.gz HWKWMBHLGSUDQN-UHFFFAOYSA-N 1 0 242.363 1.138 50 0 BDAARO [NH3+][C@H](C(=O)Nc1ccccc1F)C1CCC1 ZINC000335051555 384783918 /nfs/dbraw/zinc/78/39/18/384783918.db2.gz ROGAHUYKJITEAU-NSHDSACASA-N 1 0 222.263 1.892 50 0 BDAARO C1C[NH2+][C@H](c2nc(C3CCOCC3)no2)C1 ZINC000083719020 384792563 /nfs/dbraw/zinc/79/25/63/384792563.db2.gz POSKYPCTXNWJIA-VIFPVBQESA-N 1 0 223.276 1.388 50 0 BDAARO Cc1cc(C)n([C@H]2CCN(Cc3ncc[nH]3)C2)n1 ZINC000067514353 384845242 /nfs/dbraw/zinc/84/52/42/384845242.db2.gz PDAAGDBXGPBZQP-LBPRGKRZSA-N 1 0 245.330 1.670 50 0 BDAARO [NH3+][C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC000084395041 384861668 /nfs/dbraw/zinc/86/16/68/384861668.db2.gz BNYPACKDAUSLMQ-SNVBAGLBSA-N 1 0 214.272 1.219 50 0 BDAARO CN(C[C@@H]1CC[NH2+]C1)C(=O)OC(C)(C)C ZINC000057218683 384933239 /nfs/dbraw/zinc/93/32/39/384933239.db2.gz ICTZUPNLSITARI-SECBINFHSA-N 1 0 214.309 1.463 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]CC[C@@H]21 ZINC000057219107 384935734 /nfs/dbraw/zinc/93/57/34/384935734.db2.gz WWQRKRDWYBRFAA-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO C[NH+](C)CCNC(=O)NC1CCCCC1 ZINC000004550163 384987980 /nfs/dbraw/zinc/98/79/80/384987980.db2.gz NZEDGSZBHQVOJM-UHFFFAOYSA-N 1 0 213.325 1.180 50 0 BDAARO CC(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000058365188 384999836 /nfs/dbraw/zinc/99/98/36/384999836.db2.gz DNETZZSSANWXNI-UHFFFAOYSA-N 1 0 224.308 1.039 50 0 BDAARO C[NH+](C)CC(=O)NC1(Cc2ccccc2)CC1 ZINC000188884481 385030929 /nfs/dbraw/zinc/03/09/29/385030929.db2.gz OGQWCIVRYQPGPA-UHFFFAOYSA-N 1 0 232.327 1.440 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000255557658 385032461 /nfs/dbraw/zinc/03/24/61/385032461.db2.gz CIOOIYIWTMLLDD-ZADCQDASSA-N 1 0 234.299 1.551 50 0 BDAARO Fc1ccc2[nH]c([C@H]3CC[NH2+]C3)nc2c1 ZINC000062119380 385160006 /nfs/dbraw/zinc/16/00/06/385160006.db2.gz MJEUQEMUPPAFOT-ZETCQYMHSA-N 1 0 205.236 1.779 50 0 biogenic BDAARO CSC[C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000096423478 385163430 /nfs/dbraw/zinc/16/34/30/385163430.db2.gz JGSWJUSVWMZFJJ-MNOVXSKESA-N 1 0 244.404 1.538 50 0 BDAARO CN1C(=O)C[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000062208825 385165485 /nfs/dbraw/zinc/16/54/85/385165485.db2.gz CXQPTCSGBZTHHU-MWLCHTKSSA-N 1 0 224.691 1.571 50 0 BDAARO CCOCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062257326 385167295 /nfs/dbraw/zinc/16/72/95/385167295.db2.gz HZQMIYZACOVUGH-MRVPVSSYSA-N 1 0 211.265 1.073 50 0 BDAARO CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@@H]1OC ZINC000096441001 385171064 /nfs/dbraw/zinc/17/10/64/385171064.db2.gz FBUCHYCIFQWLAA-NEPJUHHUSA-N 1 0 242.363 1.402 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000269067055 385206902 /nfs/dbraw/zinc/20/69/02/385206902.db2.gz OTYMYAQDQPEUAZ-OBJOEFQTSA-N 1 0 246.354 1.813 50 0 BDAARO Cc1ccoc1C[N@@H+](C)C[C@@H](O)COC(C)C ZINC000292084472 385210469 /nfs/dbraw/zinc/21/04/69/385210469.db2.gz DTZVNDFVRUENAF-GFCCVEGCSA-N 1 0 241.331 1.806 50 0 BDAARO CC(=O)c1c(C)n(O)c2cc(C)ccc2[n+]1=O ZINC000100613275 385203879 /nfs/dbraw/zinc/20/38/79/385203879.db2.gz GEYZSVYVFNPJRA-UHFFFAOYSA-N 1 0 233.247 1.613 50 0 BDAARO CCOc1ccnc(N(C)Cc2nc(C)c[nH]2)n1 ZINC000065406080 385305928 /nfs/dbraw/zinc/30/59/28/385305928.db2.gz HJBFGDWKPIWHOR-UHFFFAOYSA-N 1 0 247.302 1.543 50 0 BDAARO O=S(=O)(C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000034507189 385285883 /nfs/dbraw/zinc/28/58/83/385285883.db2.gz NTPRADMDCMTGRQ-LLVKDONJSA-N 1 0 239.340 1.602 50 0 BDAARO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000000212809 385294056 /nfs/dbraw/zinc/29/40/56/385294056.db2.gz GGOPGTUMPPQSLE-ZDUSSCGKSA-N 1 0 205.301 1.870 50 0 BDAARO c1ccc(CN2CCOC[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC000169676288 385416786 /nfs/dbraw/zinc/41/67/86/385416786.db2.gz VZTGACHYTPOBRI-HUUCEWRRSA-N 1 0 246.354 1.497 50 0 BDAARO Cc1cnc(CC[NH3+])n1Cc1ccccc1 ZINC000169676624 385417403 /nfs/dbraw/zinc/41/74/03/385417403.db2.gz VZGZTNVWZCTBJI-UHFFFAOYSA-N 1 0 215.300 1.741 50 0 BDAARO c1cnc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000230148366 385711776 /nfs/dbraw/zinc/71/17/76/385711776.db2.gz CBSUITAIESCSRY-ULKQDVFKSA-N 1 0 205.261 1.138 50 0 BDAARO CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1C[C@@H]([NH3+])C2 ZINC000255189327 385712319 /nfs/dbraw/zinc/71/23/19/385712319.db2.gz PEAPNBGPRYMRNJ-ILWJIGKKSA-N 1 0 242.319 1.112 50 0 BDAARO C[NH+](C)CCOc1ccc(F)c(F)c1 ZINC000231433317 385799686 /nfs/dbraw/zinc/79/96/86/385799686.db2.gz WSMIXUUFZKZBCX-UHFFFAOYSA-N 1 0 201.216 1.905 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C ZINC000232013735 385830553 /nfs/dbraw/zinc/83/05/53/385830553.db2.gz GRXIWBAKFQTJIP-OUAUKWLOSA-N 1 0 212.337 1.809 50 0 BDAARO Cc1c(C[N@@H+](C)CCc2cnn(C)c2)cnn1C ZINC000216482145 385866995 /nfs/dbraw/zinc/86/69/95/385866995.db2.gz COIPPRPKHVFIIE-UHFFFAOYSA-N 1 0 247.346 1.137 50 0 BDAARO [NH3+][C@@H](CC1CCCCC1)[C@H]1COCCO1 ZINC000161496229 385975572 /nfs/dbraw/zinc/97/55/72/385975572.db2.gz WRUSSQDCGCXMEA-NWDGAFQWSA-N 1 0 213.321 1.700 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CCCC2 ZINC000335061867 386026562 /nfs/dbraw/zinc/02/65/62/386026562.db2.gz VXOLKYCDSNVYBI-MRVPVSSYSA-N 1 0 219.288 1.246 50 0 BDAARO CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CCOC1 ZINC000222110318 386037834 /nfs/dbraw/zinc/03/78/34/386037834.db2.gz WECVSHNSFICIFE-DYEKYZERSA-N 1 0 238.375 1.628 50 0 BDAARO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)[nH]1 ZINC000223167334 386077592 /nfs/dbraw/zinc/07/75/92/386077592.db2.gz BJWFYFDFGDFCDS-LBPRGKRZSA-N 1 0 249.358 1.791 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000063193451 386366842 /nfs/dbraw/zinc/36/68/42/386366842.db2.gz URMPFFHQGBNZQP-ZYHUDNBSSA-N 1 0 233.315 1.424 50 0 BDAARO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000044934330 386337665 /nfs/dbraw/zinc/33/76/65/386337665.db2.gz QGMAFMLHFRLESF-JTQLQIEISA-N 1 0 249.314 1.197 50 0 BDAARO C[N@H+](Cc1ccc(Cl)o1)CC(C)(CO)CO ZINC000093502486 386421073 /nfs/dbraw/zinc/42/10/73/386421073.db2.gz XXSWKNLZMJSFHY-UHFFFAOYSA-N 1 0 247.722 1.356 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000299773875 386490351 /nfs/dbraw/zinc/49/03/51/386490351.db2.gz FOADLLLIAPVUTP-NSHDSACASA-N 1 0 227.267 1.406 50 0 BDAARO C[NH+](C)CC(=O)N1CCc2ccccc2C1 ZINC000006169206 386688008 /nfs/dbraw/zinc/68/80/08/386688008.db2.gz DFLLHIBMMXEFSM-UHFFFAOYSA-N 1 0 218.300 1.133 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000053145038 386722188 /nfs/dbraw/zinc/72/21/88/386722188.db2.gz BGTDDHKBFAQYGP-ZDUSSCGKSA-N 1 0 232.327 1.406 50 0 BDAARO O=C(C[NH+]1CCC(CF)CC1)N1CCCC1 ZINC000336276480 387108787 /nfs/dbraw/zinc/10/87/87/387108787.db2.gz PTXSUNGWCMTSOU-UHFFFAOYSA-N 1 0 228.311 1.290 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2ccccn2)c1 ZINC000053534434 387171235 /nfs/dbraw/zinc/17/12/35/387171235.db2.gz YRDBKDONAIPFKC-UHFFFAOYSA-N 1 0 216.288 1.376 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1ccccn1 ZINC000237955709 387203626 /nfs/dbraw/zinc/20/36/26/387203626.db2.gz ZMBQHDUYYRHUEJ-SBDDDAINSA-N 1 0 245.326 1.435 50 0 BDAARO CCc1ccc(OCC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000152253677 387265159 /nfs/dbraw/zinc/26/51/59/387265159.db2.gz UQKPAJJNWFXJGE-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1 ZINC000089106228 387522412 /nfs/dbraw/zinc/52/24/12/387522412.db2.gz OWQWRQUAHFAPOP-STQMWFEESA-N 1 0 232.327 1.934 50 0 BDAARO CCSC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CC ZINC000119361246 387474948 /nfs/dbraw/zinc/47/49/48/387474948.db2.gz OWIILXFCLGWFDB-IUCAKERBSA-N 1 0 218.366 1.324 50 0 BDAARO C[NH2+]Cc1nnc(SCCCCCF)n1C ZINC000426541552 387579988 /nfs/dbraw/zinc/57/99/88/387579988.db2.gz RVDYJEVELSYBIF-UHFFFAOYSA-N 1 0 246.355 1.766 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000054212089 387684617 /nfs/dbraw/zinc/68/46/17/387684617.db2.gz QZJZBMYJWAPICU-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000054212091 387685575 /nfs/dbraw/zinc/68/55/75/387685575.db2.gz QZJZBMYJWAPICU-QMMMGPOBSA-N 1 0 240.253 1.386 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1cccc2c1OCO2 ZINC000036168207 387812529 /nfs/dbraw/zinc/81/25/29/387812529.db2.gz OFDOGFMYSOTOFH-SNVBAGLBSA-N 1 0 223.272 1.276 50 0 BDAARO CCCCC[C@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000055158113 387831681 /nfs/dbraw/zinc/83/16/81/387831681.db2.gz YCUZPMGVUVYLFU-NEPJUHHUSA-N 1 0 242.388 1.830 50 0 biogenic BDAARO Cc1n[nH]c(C)c1C[NH2+]CCc1ccccn1 ZINC000036864567 387963517 /nfs/dbraw/zinc/96/35/17/387963517.db2.gz RUCNOIHQVKADJW-UHFFFAOYSA-N 1 0 230.315 1.754 50 0 BDAARO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cc1C ZINC000105472540 387987206 /nfs/dbraw/zinc/98/72/06/387987206.db2.gz ZEIYOFKOWAGBTA-HNNXBMFYSA-N 1 0 248.370 1.724 50 0 BDAARO Cc1n[nH]cc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000036997033 388084898 /nfs/dbraw/zinc/08/48/98/388084898.db2.gz DOAGEVJWXYLRKG-CHWSQXEVSA-N 1 0 234.347 1.435 50 0 BDAARO CCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000249280703 388157445 /nfs/dbraw/zinc/15/74/45/388157445.db2.gz MQHUJUREPHNFRA-QJPTWQEYSA-N 1 0 215.337 1.911 50 0 BDAARO Cc1nnc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C ZINC000170598859 388240139 /nfs/dbraw/zinc/24/01/39/388240139.db2.gz MRVWDRIXFRDKIS-LBPRGKRZSA-N 1 0 247.346 1.163 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1C[NH3+] ZINC000254925416 388392029 /nfs/dbraw/zinc/39/20/29/388392029.db2.gz PKLLPFLHIQDACS-CKXPSTMWSA-N 1 0 244.338 1.958 50 0 BDAARO CCC[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC000195532097 388478044 /nfs/dbraw/zinc/47/80/44/388478044.db2.gz IWCAAUJPAVJZTG-WDEREUQCSA-N 1 0 201.310 1.116 50 0 BDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069582381 388421490 /nfs/dbraw/zinc/42/14/90/388421490.db2.gz GVRTVVOAQCJPLR-NEPJUHHUSA-N 1 0 247.346 1.664 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000070173040 388433259 /nfs/dbraw/zinc/43/32/59/388433259.db2.gz JPZAPTUPEPHPFP-UWVGGRQHSA-N 1 0 237.303 1.182 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000070172939 388433914 /nfs/dbraw/zinc/43/39/14/388433914.db2.gz SXDZAKUAADSFSB-GHMZBOCLSA-N 1 0 235.331 1.225 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000070172940 388433978 /nfs/dbraw/zinc/43/39/78/388433978.db2.gz SXDZAKUAADSFSB-QWRGUYRKSA-N 1 0 235.331 1.225 50 0 BDAARO CO[C@H]1C[C@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000308399174 388438070 /nfs/dbraw/zinc/43/80/70/388438070.db2.gz UYWLCTIRLWUZQC-RYUDHWBXSA-N 1 0 235.331 1.430 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccsc3)C[C@H]12 ZINC000225461333 388594387 /nfs/dbraw/zinc/59/43/87/388594387.db2.gz NYPKXPQXBNXWNH-INTQDDNPSA-N 1 0 236.340 1.557 50 0 BDAARO C[C@H](C[NH3+])N(C)C(=O)c1cccc(F)c1Cl ZINC000237635350 388595874 /nfs/dbraw/zinc/59/58/74/388595874.db2.gz SXBNIXSDLVOFOG-SSDOTTSWSA-N 1 0 244.697 1.898 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000153826200 388580223 /nfs/dbraw/zinc/58/02/23/388580223.db2.gz REAHOQCUPVEKLK-SECBINFHSA-N 1 0 230.377 1.386 50 0 BDAARO CC1(C)C(C(=O)N2CC[C@H]([NH3+])C2)C1(C)C ZINC000085710275 388673219 /nfs/dbraw/zinc/67/32/19/388673219.db2.gz SASHGLFEXSPNCF-QMMMGPOBSA-N 1 0 210.321 1.228 50 0 BDAARO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000225397347 388679182 /nfs/dbraw/zinc/67/91/82/388679182.db2.gz BGPNEJHQFYHRGZ-UWVGGRQHSA-N 1 0 240.328 1.574 50 0 BDAARO [NH3+][C@@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460166 388682669 /nfs/dbraw/zinc/68/26/69/388682669.db2.gz LCJGDMTWCJEARU-LLVKDONJSA-N 1 0 228.299 1.614 50 0 BDAARO CCc1ccccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000225462943 388708519 /nfs/dbraw/zinc/70/85/19/388708519.db2.gz YYUIHEUUAIQBNR-UONOGXRCSA-N 1 0 235.327 1.177 50 0 BDAARO CCc1ccccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000225462877 388708879 /nfs/dbraw/zinc/70/88/79/388708879.db2.gz YYUIHEUUAIQBNR-KBPBESRZSA-N 1 0 235.327 1.177 50 0 BDAARO CC[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000055293286 388710073 /nfs/dbraw/zinc/71/00/73/388710073.db2.gz PSYHOONWPQRBJB-LLVKDONJSA-N 1 0 212.337 1.635 50 0 BDAARO CN(C[C@@H]1CCOC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000225485164 388717826 /nfs/dbraw/zinc/71/78/26/388717826.db2.gz RYWXNYHJXBDBFY-AAEUAGOBSA-N 1 0 248.326 1.181 50 0 BDAARO [NH3+][C@@H](CNC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000095394018 388764830 /nfs/dbraw/zinc/76/48/30/388764830.db2.gz JUVRQDHITBRRKD-NSHDSACASA-N 1 0 240.253 1.432 50 0 BDAARO CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095399402 388765929 /nfs/dbraw/zinc/76/59/29/388765929.db2.gz ICQQCSKWIXWVLL-UHFFFAOYSA-N 1 0 210.321 1.483 50 0 BDAARO C[C@H](CSC(C)(C)C)[NH2+]Cc1nncn1C ZINC000095420203 388768958 /nfs/dbraw/zinc/76/89/58/388768958.db2.gz PIRVKCOGBQGDLL-SECBINFHSA-N 1 0 242.392 1.825 50 0 BDAARO C[C@@H]1OCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000125323486 388782249 /nfs/dbraw/zinc/78/22/49/388782249.db2.gz WGPBVDRHUXBXCN-QWRGUYRKSA-N 1 0 240.347 1.012 50 0 BDAARO C[NH+](C)CCCNC(=O)Nc1ccccc1 ZINC000001606021 388830917 /nfs/dbraw/zinc/83/09/17/388830917.db2.gz FOALBVOKOPPUFL-UHFFFAOYSA-N 1 0 221.304 1.760 50 0 BDAARO Cn1cc([C@H](O)C[NH+](C)C)c2ccccc21 ZINC000002006461 388831776 /nfs/dbraw/zinc/83/17/76/388831776.db2.gz USFMLOCAUMOVRI-CYBMUJFWSA-N 1 0 218.300 1.773 50 0 BDAARO C[C@@H]([NH2+]CC(N)=O)[C@H](C)c1ccccc1 ZINC000097048978 388831982 /nfs/dbraw/zinc/83/19/82/388831982.db2.gz MPAUKSZYXUXQRL-VHSXEESVSA-N 1 0 206.289 1.254 50 0 BDAARO CC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000270866900 132198209 /nfs/dbraw/zinc/19/82/09/132198209.db2.gz ITKZZBBUDCGUMB-UHFFFAOYSA-N 1 0 209.268 1.363 50 0 BDAARO c1ccc(N2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC000004560311 132316769 /nfs/dbraw/zinc/31/67/69/132316769.db2.gz QTWLPFDOOHNQOX-UHFFFAOYSA-N 1 0 245.370 1.561 50 0 BDAARO Cc1cc(C)nc(N2CCC([NH3+])CC2)n1 ZINC000004512135 132316849 /nfs/dbraw/zinc/31/68/49/132316849.db2.gz DWPFDWXZPNBMHO-UHFFFAOYSA-N 1 0 206.293 1.021 50 0 BDAARO Cc1cc2c(ncnc2N2CC[NH+](C)CC2)s1 ZINC000005001018 132317296 /nfs/dbraw/zinc/31/72/96/132317296.db2.gz YELPCPVSXROHEC-UHFFFAOYSA-N 1 0 248.355 1.752 50 0 BDAARO c1ccc(-c2cc(N3CC[NH2+]CC3)ncn2)cc1 ZINC000011849501 132320751 /nfs/dbraw/zinc/32/07/51/132320751.db2.gz XVYYHYROWROJFA-UHFFFAOYSA-N 1 0 240.310 1.553 50 0 BDAARO c1ccc2c(c1)cncc2N1CC[NH2+]CC1 ZINC000036420849 132342280 /nfs/dbraw/zinc/34/22/80/132342280.db2.gz NIBZKHUIJGTBOX-UHFFFAOYSA-N 1 0 213.284 1.644 50 0 BDAARO C[NH2+]C1CCN(c2ncnc3ccccc32)CC1 ZINC000037715714 132345156 /nfs/dbraw/zinc/34/51/56/132345156.db2.gz RSTBYYONONGYIY-UHFFFAOYSA-N 1 0 242.326 1.818 50 0 BDAARO COC(=O)c1ccc(N2CC[NH2+][C@H](C)C2)cc1 ZINC000039952492 132346967 /nfs/dbraw/zinc/34/69/67/132346967.db2.gz NHABNVYVQXLSEG-SNVBAGLBSA-N 1 0 234.299 1.271 50 0 BDAARO CCOC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000044960042 132354722 /nfs/dbraw/zinc/35/47/22/132354722.db2.gz VKWDRYXONDYIGN-UHFFFAOYSA-N 1 0 248.326 1.615 50 0 BDAARO Cc1ccnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063201377 132389222 /nfs/dbraw/zinc/38/92/22/132389222.db2.gz GMWCCQWYDLJRBL-ZDUSSCGKSA-N 1 0 246.358 1.753 50 0 BDAARO Brc1ccnc(N2CC[NH2+]CC2)c1 ZINC000065337462 132389512 /nfs/dbraw/zinc/38/95/12/132389512.db2.gz CRQIQJZMQXBIHG-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO Cc1ccc2c(c1)N1CC[NH2+]C[C@H]1CC(=O)N2 ZINC000066054751 132390553 /nfs/dbraw/zinc/39/05/53/132390553.db2.gz CQWBTNMXUFIACV-SNVBAGLBSA-N 1 0 231.299 1.115 50 0 BDAARO C[C@@H](C(=O)N(C)C1CC([NH3+])C1)C(F)(F)F ZINC000336210466 134134158 /nfs/dbraw/zinc/13/41/58/134134158.db2.gz RRQKSVICASHSLX-VTSJMVTISA-N 1 0 224.226 1.133 50 0 BDAARO C[C@H]1CC[N@H+](Cc2ccncc2F)[C@H]1CO ZINC000336217513 134137872 /nfs/dbraw/zinc/13/78/72/134137872.db2.gz GFZILJXWWGWACE-CABZTGNLSA-N 1 0 224.279 1.423 50 0 BDAARO C[C@@H]1C[NH+](C[C@H]2CCCCO2)C[C@@H](C)O1 ZINC000249517014 135040939 /nfs/dbraw/zinc/04/09/39/135040939.db2.gz GOUMEBZCQCSBQA-IJLUTSLNSA-N 1 0 213.321 1.665 50 0 BDAARO Cc1ccc2c(c1)CN(CC[NH3+])C[C@@H](C)O2 ZINC000299788658 135207145 /nfs/dbraw/zinc/20/71/45/135207145.db2.gz ZCOGKPIFGOIKOX-LLVKDONJSA-N 1 0 220.316 1.537 50 0 BDAARO CCC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000078895298 135250258 /nfs/dbraw/zinc/25/02/58/135250258.db2.gz JLGVYENMQWORNN-WDEREUQCSA-N 1 0 226.364 1.831 50 0 BDAARO C[C@@H]1CN(C(=O)C2(C)CCCC2)C[C@@H]1[NH+](C)C ZINC000078895784 135250588 /nfs/dbraw/zinc/25/05/88/135250588.db2.gz NQEFOSUBWHMUDX-NEPJUHHUSA-N 1 0 238.375 1.975 50 0 BDAARO C[C@H](C[NH3+])C(=O)N1CCc2c1cccc2F ZINC000335549605 136097738 /nfs/dbraw/zinc/09/77/38/136097738.db2.gz LIYHDFLMPMWVLW-MRVPVSSYSA-N 1 0 222.263 1.310 50 0 BDAARO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1F ZINC000097371032 397928703 /nfs/dbraw/zinc/92/87/03/397928703.db2.gz YEJKKXRRJABUHC-SECBINFHSA-N 1 0 238.306 1.988 50 0 BDAARO C[NH+](C)CCNC(=O)c1cccc2cccnc21 ZINC000022500991 397973978 /nfs/dbraw/zinc/97/39/78/397973978.db2.gz SIWQJQCKOITZLS-UHFFFAOYSA-N 1 0 243.310 1.526 50 0 BDAARO Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)nn1 ZINC000585098271 487579071 /nfs/dbraw/zinc/57/90/71/487579071.db2.gz OJJSLKCRWIZUKK-LBPRGKRZSA-N 1 0 232.331 1.460 50 0 BDAARO CC(=O)Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000042782851 322908586 /nfs/dbraw/zinc/90/85/86/322908586.db2.gz OIOOKKMGWVYERE-LBPRGKRZSA-N 1 0 220.272 1.386 50 0 BDAARO Cc1cc(C)nc(NC(=O)NCC[NH+](C)C)c1 ZINC000097142871 410062327 /nfs/dbraw/zinc/06/23/27/410062327.db2.gz LBQVCKRJFFRHKM-UHFFFAOYSA-N 1 0 236.319 1.382 50 0 BDAARO CC(C)(C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000006701953 166635999 /nfs/dbraw/zinc/63/59/99/166635999.db2.gz UYFJXQJVWIDLEW-UHFFFAOYSA-N 1 0 236.315 1.439 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@H](C2)C1 ZINC000076675048 166656631 /nfs/dbraw/zinc/65/66/31/166656631.db2.gz ZFVNQMTWYYKBES-AOOOYVTPSA-N 1 0 226.320 1.463 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH3+])C[C@@H]2C1 ZINC000076685631 166657547 /nfs/dbraw/zinc/65/75/47/166657547.db2.gz LLTJKZQPTQJCDC-AXFHLTTASA-N 1 0 240.347 1.981 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000101788116 166666937 /nfs/dbraw/zinc/66/69/37/166666937.db2.gz ACDLXPYQWYTZLE-OCAPTIKFSA-N 1 0 200.282 1.248 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC000169804370 166667025 /nfs/dbraw/zinc/66/70/25/166667025.db2.gz WULUIRLXYWAJQJ-BRPSZJMVSA-N 1 0 212.293 1.119 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH3+])CC1 ZINC000100000552 166667680 /nfs/dbraw/zinc/66/76/80/166667680.db2.gz FEYLUKDSKVSMSZ-KYZUINATSA-N 1 0 214.309 1.781 50 0 BDAARO CC(C)C[NH2+]CCSc1nccn1C ZINC000006550631 167004510 /nfs/dbraw/zinc/00/45/10/167004510.db2.gz VXKBRHJKRLEUGK-UHFFFAOYSA-N 1 0 213.350 1.758 50 0 BDAARO CC(C)OCC[NH2+][C@@H](C)Cn1cccn1 ZINC000042269754 167245294 /nfs/dbraw/zinc/24/52/94/167245294.db2.gz VBFWMDMITPLPCA-NSHDSACASA-N 1 0 211.309 1.286 50 0 BDAARO CC(C)[C@@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000065474314 167370083 /nfs/dbraw/zinc/37/00/83/167370083.db2.gz ZANANGYPGKKQIS-LLVKDONJSA-N 1 0 224.348 1.585 50 0 BDAARO CC(C)c1ccc2c(c1)[C@H](O)[C@H]([NH3+])CCO2 ZINC000062610681 167627960 /nfs/dbraw/zinc/62/79/60/167627960.db2.gz IWSPSJWDEPDMDH-YPMHNXCESA-N 1 0 221.300 1.953 50 0 BDAARO CC(C)n1cc(CN2CCC[NH2+]CC2)cn1 ZINC000068587399 167745091 /nfs/dbraw/zinc/74/50/91/167745091.db2.gz JRKLITOJYXMBBV-UHFFFAOYSA-N 1 0 222.336 1.259 50 0 BDAARO O=C(/C=C\c1cccc(F)c1)N[C@@H]1CCC[NH2+]C1 ZINC000222121912 411293220 /nfs/dbraw/zinc/29/32/20/411293220.db2.gz QGCCJDQHZYGRRD-FMFIFOJESA-N 1 0 248.301 1.707 50 0 BDAARO CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCOC2)C(C)(C)O1 ZINC000090848802 167976917 /nfs/dbraw/zinc/97/69/17/167976917.db2.gz XFHPDPYHLXVQIE-MFKMUULPSA-N 1 0 243.347 1.074 50 0 BDAARO CC1(c2nc([C@H]3CCOC3)no2)CC[NH2+]CC1 ZINC000087804003 168074171 /nfs/dbraw/zinc/07/41/71/168074171.db2.gz GJJMTLMTEWDERZ-VIFPVBQESA-N 1 0 237.303 1.215 50 0 BDAARO CC1CC[NH+](CCNC(=O)[C@@H]2CCCO2)CC1 ZINC000046956508 168181599 /nfs/dbraw/zinc/18/15/99/168181599.db2.gz JAWQFHWKAMHFLC-LBPRGKRZSA-N 1 0 240.347 1.014 50 0 BDAARO CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027582069 168228364 /nfs/dbraw/zinc/22/83/64/168228364.db2.gz FYNYQUSGUDDNOY-UHFFFAOYSA-N 1 0 212.337 1.777 50 0 BDAARO CCN1CCc2ccc(NC(=O)C[NH2+]C)cc21 ZINC000083909980 170025280 /nfs/dbraw/zinc/02/52/80/170025280.db2.gz UJAGDUQFVZRTCW-UHFFFAOYSA-N 1 0 233.315 1.227 50 0 BDAARO CCNC(=O)CC[NH2+]Cc1ccccc1 ZINC000019736948 170052946 /nfs/dbraw/zinc/05/29/46/170052946.db2.gz NGXQOMZOLZOBLM-UHFFFAOYSA-N 1 0 206.289 1.302 50 0 BDAARO CCNC(=O)NC(=O)C[NH+]1CCCCCCC1 ZINC000007486701 170076782 /nfs/dbraw/zinc/07/67/82/170076782.db2.gz FKLALEJNWHRTEN-UHFFFAOYSA-N 1 0 241.335 1.098 50 0 BDAARO CC[NH2+]CC(=O)Nc1ccccc1OC ZINC000003294484 170109715 /nfs/dbraw/zinc/10/97/15/170109715.db2.gz IJULYUFRVVVJST-UHFFFAOYSA-N 1 0 208.261 1.243 50 0 BDAARO CC[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000090460226 170123661 /nfs/dbraw/zinc/12/36/61/170123661.db2.gz RWZANZNCCFYETP-AWEZNQCLSA-N 1 0 234.343 1.497 50 0 BDAARO CC[NH2+][C@@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000036379439 170137696 /nfs/dbraw/zinc/13/76/96/170137696.db2.gz SEFBBQVIYSWSIJ-SECBINFHSA-N 1 0 214.215 1.101 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000000127728 170230803 /nfs/dbraw/zinc/23/08/03/170230803.db2.gz SIHVBHFOAHJMHU-SNVBAGLBSA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(F)cc1F ZINC000002582552 170231356 /nfs/dbraw/zinc/23/13/56/170231356.db2.gz VNSICQFDYLZXLG-SNVBAGLBSA-N 1 0 229.226 1.918 50 0 BDAARO CCOC(=O)[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000026500789 170282184 /nfs/dbraw/zinc/28/21/84/170282184.db2.gz KKESSUGZTMZMJU-STQMWFEESA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)c1cnn(C2CC[NH2+]CC2)c1C ZINC000225563856 170303884 /nfs/dbraw/zinc/30/38/84/170303884.db2.gz QEDNOMUBYTWLQP-UHFFFAOYSA-N 1 0 237.303 1.293 50 0 BDAARO CCOC(C[NH3+])(OCC)c1ccncc1 ZINC000001581469 170314420 /nfs/dbraw/zinc/31/44/20/170314420.db2.gz RCUQGUNFLCTQFB-UHFFFAOYSA-N 1 0 210.277 1.266 50 0 BDAARO CCOC(C[N@@H+]1CCS[C@H](C)C1)OCC ZINC000097094923 170316355 /nfs/dbraw/zinc/31/63/55/170316355.db2.gz KTPPETSWWDNALP-SNVBAGLBSA-N 1 0 233.377 1.823 50 0 BDAARO CCOCC[N@H+](C)Cc1cnc2cnccn12 ZINC000097051121 170390072 /nfs/dbraw/zinc/39/00/72/170390072.db2.gz YNEGQZUNYWIZQW-UHFFFAOYSA-N 1 0 234.303 1.198 50 0 BDAARO CC[C@@H](C)c1cc(C(=O)N2CC[C@H]([NH3+])C2)on1 ZINC000132315742 170802333 /nfs/dbraw/zinc/80/23/33/170802333.db2.gz JIEDJTYQMLMPTB-BDAKNGLRSA-N 1 0 237.303 1.361 50 0 BDAARO CC[C@H](C)C12CN3CC(C)(C[N@H+](C1)CC3)[C@@H]2O ZINC000019866363 171257591 /nfs/dbraw/zinc/25/75/91/171257591.db2.gz UDVYIQVABLPQMT-FEPKRQSRSA-N 1 0 238.375 1.031 50 0 BDAARO CCc1[nH+]c2cc(N)ccc2n1CCCO ZINC000013997078 172010968 /nfs/dbraw/zinc/01/09/68/172010968.db2.gz IOTUGHHXSAHNQL-UHFFFAOYSA-N 1 0 219.288 1.563 50 0 BDAARO 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323036165 /nfs/dbraw/zinc/03/61/65/323036165.db2.gz OKCUERLRLQJWCC-PIZKADEWSA-N 1 0 244.338 1.910 50 0 BDAARO CCCS(=O)(=O)N[C@H](C)c1nc(C)c[nH]1 ZINC000534574490 323153675 /nfs/dbraw/zinc/15/36/75/323153675.db2.gz LLYUBTHKCATOIX-MRVPVSSYSA-N 1 0 231.321 1.109 50 0 BDAARO CC(C)Cc1cc(CNC(=O)[C@H]2C=CC[NH2+]2)on1 ZINC000534577650 323153907 /nfs/dbraw/zinc/15/39/07/323153907.db2.gz PXPWOAZJYYBEHA-GFCCVEGCSA-N 1 0 249.314 1.017 50 0 BDAARO c1csc(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000534587861 323154336 /nfs/dbraw/zinc/15/43/36/323154336.db2.gz FUOMNZJXAWACRK-NSHDSACASA-N 1 0 223.345 1.723 50 0 BDAARO COC(C)(C)C[C@@H](C)[NH2+]CCc1ncc[nH]1 ZINC000124858491 323172359 /nfs/dbraw/zinc/17/23/59/323172359.db2.gz ADKITEKINRGHBV-SNVBAGLBSA-N 1 0 225.336 1.745 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000104261435 323265200 /nfs/dbraw/zinc/26/52/00/323265200.db2.gz DRTDONXGTUKIPO-DMTLFAOVSA-N 1 0 248.301 1.789 50 0 BDAARO Cc1nccc(C[C@@H]2CCC[C@@H]3C[NH2+]C[C@H]32)n1 ZINC000245204453 324200047 /nfs/dbraw/zinc/20/00/47/324200047.db2.gz BIVAKOCSMKQQMP-SCRDCRAPSA-N 1 0 231.343 1.963 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1CCC1 ZINC000248147748 488084339 /nfs/dbraw/zinc/08/43/39/488084339.db2.gz SLQPWQCNZATHKA-CHWSQXEVSA-N 1 0 236.359 1.872 50 0 BDAARO C[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188653 487496202 /nfs/dbraw/zinc/49/62/02/487496202.db2.gz PQUCEBXIEKEPHQ-VHSXEESVSA-N 1 0 206.289 1.081 50 0 BDAARO C[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062188591 487496653 /nfs/dbraw/zinc/49/66/53/487496653.db2.gz PQUCEBXIEKEPHQ-UWVGGRQHSA-N 1 0 206.289 1.081 50 0 BDAARO Cc1nc2c(c(=O)[nH]1)C[N@H+]([C@H](C)C1CCC1)C2 ZINC000670454617 487508323 /nfs/dbraw/zinc/50/83/23/487508323.db2.gz CNDJAEWZCUMDIV-MRVPVSSYSA-N 1 0 233.315 1.995 50 0 BDAARO CCc1noc(CC[NH2+][C@H](C)Cn2ccnc2)n1 ZINC000670456267 487509163 /nfs/dbraw/zinc/50/91/63/487509163.db2.gz MMTDYEZFFPPAAX-SNVBAGLBSA-N 1 0 249.318 1.049 50 0 BDAARO CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1N ZINC000670466790 487520389 /nfs/dbraw/zinc/52/03/89/487520389.db2.gz GDRLGBGXTWXJFH-ITGUQSILSA-N 1 0 247.342 1.806 50 0 BDAARO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)nc1 ZINC000097095390 490315614 /nfs/dbraw/zinc/31/56/14/490315614.db2.gz RPEBZGZNPBHAER-CHWSQXEVSA-N 1 0 234.343 1.983 50 0 BDAARO Nc1cc(-c2cncnc2[C@@H]2CC[NH2+]C2)ccn1 ZINC000077010718 490326717 /nfs/dbraw/zinc/32/67/17/490326717.db2.gz XRFGVGPSSBMILT-SNVBAGLBSA-N 1 0 241.298 1.198 50 0 BDAARO CCC[C@H](O)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084024470 490363171 /nfs/dbraw/zinc/36/31/71/490363171.db2.gz ATTNXHRUTPONLW-LBPRGKRZSA-N 1 0 233.315 1.814 50 0 BDAARO C/C(=C/C(=O)N1CC[NH2+]CC1)c1ccccc1F ZINC000236627472 518409260 /nfs/dbraw/zinc/40/92/60/518409260.db2.gz BWMWUFVKSWVUDI-KHPPLWFESA-N 1 0 248.301 1.661 50 0 BDAARO COC[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000244708209 522476225 /nfs/dbraw/zinc/47/62/25/522476225.db2.gz KPMCCJPFLXSNGK-GFCCVEGCSA-N 1 0 220.316 1.592 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000158525236 524151111 /nfs/dbraw/zinc/15/11/11/524151111.db2.gz MZSHBFAGURPGSH-NPQIQWPPSA-N 1 0 244.338 1.958 50 0 BDAARO Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)s1 ZINC000157172957 524470544 /nfs/dbraw/zinc/47/05/44/524470544.db2.gz BLAVMRRCTRGBLN-VIFPVBQESA-N 1 0 224.329 1.364 50 0 BDAARO C[C@H]1C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000084237588 524789332 /nfs/dbraw/zinc/78/93/32/524789332.db2.gz PLLHWQMECGKRCY-DTWKUNHWSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@]1(O)[C@@H]2COC[C@H]2CC[C@@H]1[NH+]1CCCCC1 ZINC000239310238 525313573 /nfs/dbraw/zinc/31/35/73/525313573.db2.gz IGEZJEREOXOJJR-MQYQWHSLSA-N 1 0 239.359 1.648 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000241969538 525476066 /nfs/dbraw/zinc/47/60/66/525476066.db2.gz UXERNLWKJFOGRW-FBIMIBRVSA-N 1 0 210.321 1.099 50 0 BDAARO C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257711126 526182794 /nfs/dbraw/zinc/18/27/94/526182794.db2.gz CTGFMMOQFLSOGD-VXGBXAGGSA-N 1 0 240.347 1.267 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2c(C)noc2C)c1 ZINC000069444308 526264164 /nfs/dbraw/zinc/26/41/64/526264164.db2.gz HEMGOYFWYBHVOT-SNVBAGLBSA-N 1 0 248.330 1.975 50 0 BDAARO O[C@]12C[C@H]3C[C@H](C[C@@H](C1)[C@H]3[NH+]1CCOCC1)C2 ZINC000239038393 526322437 /nfs/dbraw/zinc/32/24/37/526322437.db2.gz DBZPWMVGCMRXDI-NNVHFGSQSA-N 1 0 237.343 1.258 50 0 BDAARO [NH3+][C@H]1C[C@@H](OCc2cc(F)ccc2F)C1 ZINC000238851112 527419742 /nfs/dbraw/zinc/41/97/42/527419742.db2.gz FDZXENUYRAKNFE-AOOOYVTPSA-N 1 0 213.227 1.971 50 0 BDAARO Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCCCC2)n1 ZINC000244763868 527559718 /nfs/dbraw/zinc/55/97/18/527559718.db2.gz OWWGHKGNSZJSMF-AOOOYVTPSA-N 1 0 247.346 1.254 50 0 BDAARO CC[NH+](CC)CC(=O)N(C)Cc1ccncc1 ZINC000068029429 535488577 /nfs/dbraw/zinc/48/85/77/535488577.db2.gz QDBVVYKPZMDPDB-UHFFFAOYSA-N 1 0 235.331 1.382 50 0 BDAARO C[NH+](C)Cc1cc(=O)oc2ccc(O)cc12 ZINC000334160388 535976685 /nfs/dbraw/zinc/97/66/85/535976685.db2.gz CLWROLAFQFWMKD-UHFFFAOYSA-N 1 0 219.240 1.560 50 0 BDAARO COc1ccc(C(=O)CC[NH+](C)C)c(OC)c1 ZINC000001591171 536680054 /nfs/dbraw/zinc/68/00/54/536680054.db2.gz KZTZFHZBNYZQFP-UHFFFAOYSA-N 1 0 237.299 1.838 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H](CN)[NH2+]C1 ZINC000757207394 582558994 /nfs/dbraw/zinc/55/89/94/582558994.db2.gz ATMMMKHAVVMEFZ-QWRGUYRKSA-N 1 0 244.342 1.666 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H](CN)[NH2+]C1 ZINC000757207391 582559198 /nfs/dbraw/zinc/55/91/98/582559198.db2.gz ATMMMKHAVVMEFZ-GHMZBOCLSA-N 1 0 244.342 1.666 50 0 BDAARO CC[N@@H+]1CCC[C@](O)(CNCc2ccncc2)C1 ZINC000046087894 583151139 /nfs/dbraw/zinc/15/11/39/583151139.db2.gz FCXVRVLSWBODOU-AWEZNQCLSA-N 1 0 249.358 1.018 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@@H]([NH3+])CN1 ZINC000757213575 586439862 /nfs/dbraw/zinc/43/98/62/586439862.db2.gz PRHBPHJMLSRTCP-CDMKHQONSA-N 1 0 244.342 1.869 50 0 BDAARO CCOC(=O)c1ncoc1C1CC[NH2+]CC1 ZINC000258105722 634567505 /nfs/dbraw/zinc/56/75/05/634567505.db2.gz YHFCJSUHNSTEND-UHFFFAOYSA-N 1 0 224.260 1.318 50 0 BDAARO Cc1cccc2c1ncn([C@@H]1CCC[NH2+]C1)c2=O ZINC000258191319 634588830 /nfs/dbraw/zinc/58/88/30/634588830.db2.gz MSEYOQHLDZQOEE-LLVKDONJSA-N 1 0 243.310 1.629 50 0 BDAARO [NH3+][C@H](c1ccns1)[C@]1(O)CCSC1 ZINC000958528522 635550893 /nfs/dbraw/zinc/55/08/93/635550893.db2.gz PTAIQMOHHBTHIG-SFYZADRCSA-N 1 0 216.331 1.011 50 0 BDAARO FC(F)(F)[C@@H]1CC[C@H](C2CC[NH2+]CC2)CN1 ZINC000309326223 632007747 /nfs/dbraw/zinc/00/77/47/632007747.db2.gz RJJCPNKPXDBUBE-UWVGGRQHSA-N 1 0 236.281 1.917 50 0 BDAARO CC(C)c1ncc(CN2CC[NH2+]C[C@H]2C)cn1 ZINC000426517526 635726098 /nfs/dbraw/zinc/72/60/98/635726098.db2.gz CIYVRFDHTGAKFZ-LLVKDONJSA-N 1 0 234.347 1.394 50 0 BDAARO C[C@@H](O)C[NH+](Cc1ccc(F)cc1)C[C@@H](C)O ZINC000023281204 632770745 /nfs/dbraw/zinc/77/07/45/632770745.db2.gz AQTMFJLZIGJQJP-GHMZBOCLSA-N 1 0 241.306 1.389 50 0 BDAARO C[C@@H]1C[NH+]([C@@H]2CCSC2)C[C@@H](C)O1 ZINC000023282338 632780786 /nfs/dbraw/zinc/78/07/86/632780786.db2.gz ADWMLWAWRGMTQI-OPRDCNLKSA-N 1 0 201.335 1.601 50 0 BDAARO COc1ccc2c(c1)C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675063917 640961280 /nfs/dbraw/zinc/96/12/80/640961280.db2.gz UARWTXFHULRJFZ-PSASIEDQSA-N 1 0 207.273 1.594 50 0 BDAARO OCc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000935618012 641447326 /nfs/dbraw/zinc/44/73/26/641447326.db2.gz FSEKWCMCTHMDIN-NEPJUHHUSA-N 1 0 216.284 1.482 50 0 BDAARO O[C@H]1CCCC[C@H]1[NH+]1CCSCC1 ZINC000037693671 642433562 /nfs/dbraw/zinc/43/35/62/642433562.db2.gz RFNFOMXRJQQRMJ-ZJUUUORDSA-N 1 0 201.335 1.339 50 0 BDAARO COc1cc(C)c(C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000000214046 642757017 /nfs/dbraw/zinc/75/70/17/642757017.db2.gz GOLWIWIIZRUNGT-ZDUSSCGKSA-N 1 0 235.327 1.879 50 0 BDAARO C[C@H](O)C[NH+](CCc1ccccc1)C[C@H](C)O ZINC000000761379 642803692 /nfs/dbraw/zinc/80/36/92/642803692.db2.gz XHHPEPNGSHCDHQ-STQMWFEESA-N 1 0 237.343 1.293 50 0 BDAARO CCc1n[nH]c(C[N@@H+]2CCCC[C@H]2CO)c1C ZINC000019742276 643042558 /nfs/dbraw/zinc/04/25/58/643042558.db2.gz JNYAZLMVWNBZHW-NSHDSACASA-N 1 0 237.347 1.627 50 0 BDAARO OC[C@@H]1CCCN(CC[NH2+]Cc2ccoc2)C1 ZINC000952970385 644446367 /nfs/dbraw/zinc/44/63/67/644446367.db2.gz CFNIIEFIVVOIEM-CYBMUJFWSA-N 1 0 238.331 1.074 50 0 BDAARO [NH3+][C@@H](C1CCC1)[C@]1(O)CCCSC1 ZINC000958528539 644808218 /nfs/dbraw/zinc/80/82/18/644808218.db2.gz QBZJNQKGCFYVEB-UWVGGRQHSA-N 1 0 201.335 1.372 50 0 BDAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000725359337 711663844 /nfs/dbraw/zinc/66/38/44/711663844.db2.gz OEWVCMJXNWDBHV-RRKCRQDMSA-N 1 0 225.210 1.465 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1CC[C@@H](CN)[NH2+]C1 ZINC000757213858 712583176 /nfs/dbraw/zinc/58/31/76/712583176.db2.gz RHINYONIMYGJGS-PWSUYJOCSA-N 1 0 244.342 1.666 50 0 BDAARO CSc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)o1 ZINC000585117671 972148320 /nfs/dbraw/zinc/14/83/20/972148320.db2.gz QQZHPZOMEIUDPD-QMMMGPOBSA-N 1 0 240.328 1.309 50 0 BDAARO COCCCN1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000219604319 963874757 /nfs/dbraw/zinc/87/47/57/963874757.db2.gz ZRAOYHYZEUVYES-KGLIPLIRSA-N 1 0 234.343 1.450 50 0 BDAARO CC[C@H]1COC[C@H]1[NH2+]Cc1scnc1C ZINC000699482539 965910155 /nfs/dbraw/zinc/91/01/55/965910155.db2.gz DUUCGQVECMEDEQ-VHSXEESVSA-N 1 0 226.345 1.966 50 0 BDAARO CC[C@@H](O)C[N@H+](C)CC1(CO)CCCC1 ZINC000822604664 968528543 /nfs/dbraw/zinc/52/85/43/968528543.db2.gz WLNTUNUOTQUYKY-LLVKDONJSA-N 1 0 215.337 1.242 50 0 BDAARO CC[N@@H+]1CCCC[C@@H]1CNc1nccc(N)n1 ZINC000823113258 968540676 /nfs/dbraw/zinc/54/06/76/968540676.db2.gz ZALAPQRVXCVXAO-SNVBAGLBSA-N 1 0 235.335 1.345 50 0 BDAARO Cc1cc(O[C@H]2CC[N@@H+](C)C2)nc(C2CC2)n1 ZINC000585650890 973917145 /nfs/dbraw/zinc/91/71/45/973917145.db2.gz HFZIJCCLPOGXDV-NSHDSACASA-N 1 0 233.315 1.745 50 0 BDAARO C[N@@H+]1CCC[C@H]1COc1ncc(F)cn1 ZINC000585651421 973919650 /nfs/dbraw/zinc/91/96/50/973919650.db2.gz LZADSPJXLUVALI-VIFPVBQESA-N 1 0 211.240 1.089 50 0 BDAARO Cc1cncc(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC000585651065 973920994 /nfs/dbraw/zinc/92/09/94/973920994.db2.gz JSHNYPZVWNXPSB-NSHDSACASA-N 1 0 219.288 1.258 50 0 BDAARO CC[N@H+](C)[C@H](C)CC(=O)NCc1cccnc1 ZINC000952872803 974056541 /nfs/dbraw/zinc/05/65/41/974056541.db2.gz UBVJEILJZBSOMX-LLVKDONJSA-N 1 0 235.331 1.428 50 0 BDAARO Cn1cncc1-c1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000952883974 974061784 /nfs/dbraw/zinc/06/17/84/974061784.db2.gz USCCCGVWRPTIBD-CQSZACIVSA-N 1 0 243.310 1.748 50 0 BDAARO C[NH2+]C1(C(=O)NCC[C@@H]2CCCCO2)CCC1 ZINC000383779857 986685183 /nfs/dbraw/zinc/68/51/83/986685183.db2.gz OYDKLDXRGBKCLK-NSHDSACASA-N 1 0 240.347 1.204 50 0 BDAARO CN1C[C@H](C[N@H+](C)C2CCCCC2)CC1=O ZINC000669739131 987250948 /nfs/dbraw/zinc/25/09/48/987250948.db2.gz RKBXJLVICVYEHR-NSHDSACASA-N 1 0 224.348 1.729 50 0 BDAARO CCC[N@@H+]1CC[C@H](Nc2nccc(NCC)n2)C1 ZINC001506421767 988777099 /nfs/dbraw/zinc/77/70/99/988777099.db2.gz MQCQBRXAKURRPO-NSHDSACASA-N 1 0 249.362 1.805 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CN1CCSCC1 ZINC001506412294 988778982 /nfs/dbraw/zinc/77/89/82/988778982.db2.gz WHJNDNNQMBDTAD-LLVKDONJSA-N 1 0 214.378 1.520 50 0 BDAARO CC(C)[C@@H](CNc1nccc(N)n1)[NH+]1CCCC1 ZINC001529195380 990337910 /nfs/dbraw/zinc/33/79/10/990337910.db2.gz KNYMQVIJAYAQKF-LLVKDONJSA-N 1 0 249.362 1.591 50 0 BDAARO Cc1ccnn1CC[N@H+](C)CCCn1cccn1 ZINC001529189484 990337940 /nfs/dbraw/zinc/33/79/40/990337940.db2.gz OERGEOLUNMGAHA-UHFFFAOYSA-N 1 0 247.346 1.410 50 0 BDAARO Cc1cc(C)cc(OCC[NH2+]CCO)c1 ZINC000002933104 177912604 /nfs/dbraw/zinc/91/26/04/177912604.db2.gz BQWDGBHYMSMIBP-UHFFFAOYSA-N 1 0 209.289 1.264 50 0 BDAARO Cc1cccc(N2CCN(C(N)=[NH2+])C[C@H]2C)c1 ZINC000013129717 132449796 /nfs/dbraw/zinc/44/97/96/132449796.db2.gz RJHJYMQCEDVNKF-LLVKDONJSA-N 1 0 232.331 1.399 50 0 BDAARO O=C1CCC[C@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000000489007 346811672 /nfs/dbraw/zinc/81/16/72/346811672.db2.gz ZSBXGIUJOOQZMP-UKTARXLSSA-N 1 0 248.370 1.872 50 0 biogenic BDAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccccc1C ZINC000211622809 136212509 /nfs/dbraw/zinc/21/25/09/136212509.db2.gz CAGCYSAGLLBALT-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1cc(CN2C[C@H]3CC[C@@H](C2)N(C)C3=O)on1 ZINC000215709121 178005053 /nfs/dbraw/zinc/00/50/53/178005053.db2.gz ZCMSYXZSDQZEJU-MNOVXSKESA-N 1 0 249.314 1.036 50 0 BDAARO CCCC[NH2+]CC(=O)c1ccc(O)cc1 ZINC000071782911 398160930 /nfs/dbraw/zinc/16/09/30/398160930.db2.gz LWKIOSJNIUDMLT-UHFFFAOYSA-N 1 0 207.273 1.965 50 0 BDAARO Cc1cc(F)cc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000127192947 178076412 /nfs/dbraw/zinc/07/64/12/178076412.db2.gz HGUZLNVGAMQIPI-LBPRGKRZSA-N 1 0 236.290 1.616 50 0 BDAARO Cc1cc(N2C[C@@H](C)[C@@](C)(O)C2)cc(C)[nH+]1 ZINC000091289178 178121023 /nfs/dbraw/zinc/12/10/23/178121023.db2.gz GTJMGGMAKHZMPX-RNCFNFMXSA-N 1 0 220.316 1.906 50 0 BDAARO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)CS(C)(=O)=O ZINC000097096358 398224997 /nfs/dbraw/zinc/22/49/97/398224997.db2.gz YIDWPHQPNRAACC-UTUOFQBUSA-N 1 0 247.404 1.835 50 0 BDAARO CCC(CC)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000092754354 168350459 /nfs/dbraw/zinc/35/04/59/168350459.db2.gz VETAOIHHNMLERB-UHFFFAOYSA-N 1 0 227.352 1.509 50 0 BDAARO CCOC(=O)c1nc(C[NH3+])sc1C ZINC000164284514 538932651 /nfs/dbraw/zinc/93/26/51/538932651.db2.gz DDPIYGHOSBBGIK-UHFFFAOYSA-N 1 0 200.263 1.087 50 0 BDAARO c1ccc(CCCNC2=[NH+]CCCCN2)cc1 ZINC000521396958 259304173 /nfs/dbraw/zinc/30/41/73/259304173.db2.gz UBAZYPGVOJMPQX-UHFFFAOYSA-N 1 0 231.343 1.948 50 0 BDAARO Cc1cc[n+](-c2c(C=O)sc(=O)n2C)cc1C ZINC000000495346 178309093 /nfs/dbraw/zinc/30/90/93/178309093.db2.gz GSSZZHQYMKIPER-UHFFFAOYSA-N 1 0 249.315 1.153 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CCC[C@@H]([NH3+])C2)o1 ZINC000158069161 178352869 /nfs/dbraw/zinc/35/28/69/178352869.db2.gz CIOOIYIWTMLLDD-XUIVZRPNSA-N 1 0 234.299 1.551 50 0 BDAARO C[C@H](C(=O)N(C)C)[NH+]1CCCCCCC1 ZINC000032751329 538950456 /nfs/dbraw/zinc/95/04/56/538950456.db2.gz AKAPCQRBSVJRJU-LLVKDONJSA-N 1 0 212.337 1.729 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000002528775 178392467 /nfs/dbraw/zinc/39/24/67/178392467.db2.gz TXMSANPYZMHGOE-UHFFFAOYSA-N 1 0 204.273 1.040 50 0 BDAARO Cc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)c1 ZINC000041161777 178393762 /nfs/dbraw/zinc/39/37/62/178393762.db2.gz KTRGVEJRUNOSIM-GFCCVEGCSA-N 1 0 248.326 1.103 50 0 BDAARO Cc1cc(C)nc(SCC[NH+](C)C)n1 ZINC000000191579 342679687 /nfs/dbraw/zinc/67/96/87/342679687.db2.gz MEYCPYGYJTXWQU-UHFFFAOYSA-N 1 0 211.334 1.747 50 0 BDAARO CCOc1ccc(C(=O)OCC[NH+](C)C)cc1 ZINC000000549018 342690123 /nfs/dbraw/zinc/69/01/23/342690123.db2.gz QDVMNVIQJNEHNH-UHFFFAOYSA-N 1 0 237.299 1.804 50 0 BDAARO [NH3+][C@@H](CO)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001601472 342705447 /nfs/dbraw/zinc/70/54/47/342705447.db2.gz KCNCKSOQGJUYPZ-LSDHHAIUSA-N 1 0 243.306 1.707 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000004203757 342743953 /nfs/dbraw/zinc/74/39/53/342743953.db2.gz FPXJNSKAXZNWMQ-LLVKDONJSA-N 1 0 220.272 1.356 50 0 BDAARO CCOc1cc2c(cc1C[NH3+])O[C@H](C)C2 ZINC000004207018 342744347 /nfs/dbraw/zinc/74/43/47/342744347.db2.gz GFCXVYPLOCEWFJ-MRVPVSSYSA-N 1 0 207.273 1.867 50 0 BDAARO [NH3+]Cc1nnc2ccc(C(F)(F)F)cn21 ZINC000004218913 342744466 /nfs/dbraw/zinc/74/44/66/342744466.db2.gz CVLCFENWSHXLIH-UHFFFAOYSA-N 1 0 216.166 1.207 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000004219112 342744599 /nfs/dbraw/zinc/74/45/99/342744599.db2.gz DPDHEFCLHFWWJB-SECBINFHSA-N 1 0 239.271 1.267 50 0 BDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCCCCC1 ZINC000004287454 342746011 /nfs/dbraw/zinc/74/60/11/342746011.db2.gz RXLCUJOYUJWMPG-LLVKDONJSA-N 1 0 210.321 1.389 50 0 BDAARO O[C@H]1C2C[C@@H]3C[N@H+]1C[C@H](C2)C31SCCS1 ZINC000002509844 342721719 /nfs/dbraw/zinc/72/17/19/342721719.db2.gz BXSFXQGZHZRCBE-UPBARMNASA-N 1 0 243.397 1.453 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000002511742 342721814 /nfs/dbraw/zinc/72/18/14/342721814.db2.gz HPPARSNAMZJAPZ-GFCCVEGCSA-N 1 0 226.320 1.607 50 0 BDAARO COC(=O)[C@@H](C)C[NH2+]Cc1ccccc1 ZINC000002568863 342724857 /nfs/dbraw/zinc/72/48/57/342724857.db2.gz AMFQVMBTZNGVDU-JTQLQIEISA-N 1 0 207.273 1.585 50 0 BDAARO O=C1CC[NH2+]CCN1Cc1cccc(F)c1 ZINC000004993013 342756023 /nfs/dbraw/zinc/75/60/23/342756023.db2.gz HCGHYJUSFLXCJH-UHFFFAOYSA-N 1 0 222.263 1.148 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000008699264 342802365 /nfs/dbraw/zinc/80/23/65/342802365.db2.gz RHZYPIMJMZIAGF-WDEREUQCSA-N 1 0 205.257 1.163 50 0 BDAARO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)cs1 ZINC000006729936 342781628 /nfs/dbraw/zinc/78/16/28/342781628.db2.gz ZBLOMVHIKBQALZ-UHFFFAOYSA-N 1 0 238.356 1.834 50 0 BDAARO OCC[C@H]([NH2+]CC1OCCO1)C1CCCCC1 ZINC000097376809 342792163 /nfs/dbraw/zinc/79/21/63/342792163.db2.gz CKWSHNXNHWDKTL-LBPRGKRZSA-N 1 0 243.347 1.280 50 0 BDAARO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336266720 342797095 /nfs/dbraw/zinc/79/70/95/342797095.db2.gz IIJAEIVUBRINEK-MNOVXSKESA-N 1 0 217.284 1.150 50 0 BDAARO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000040477863 538971825 /nfs/dbraw/zinc/97/18/25/538971825.db2.gz DZAPCBAKEAJGQU-NWDGAFQWSA-N 1 0 240.347 1.108 50 0 BDAARO O=c1ccccn1CCC[NH2+][C@@H]1CCSC1 ZINC000379456549 538977660 /nfs/dbraw/zinc/97/76/60/538977660.db2.gz NXTSOILEHGUIFS-LLVKDONJSA-N 1 0 238.356 1.334 50 0 BDAARO CC(=O)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000585148627 398291612 /nfs/dbraw/zinc/29/16/12/398291612.db2.gz VMPBBBHVVRXHOV-GFCCVEGCSA-N 1 0 204.273 1.493 50 0 BDAARO C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000012091796 342846354 /nfs/dbraw/zinc/84/63/54/342846354.db2.gz SVUOMCPYSVTRCT-UHFFFAOYSA-N 1 0 219.328 1.933 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@H]2C1 ZINC000012506751 342852939 /nfs/dbraw/zinc/85/29/39/342852939.db2.gz TUIAJQPTVCSWOB-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO CN(C)c1ncccc1CNC(=O)C(C)(C)C ZINC000032689806 342863041 /nfs/dbraw/zinc/86/30/41/342863041.db2.gz BDSLLTLSPBIBLS-UHFFFAOYSA-N 1 0 235.331 1.810 50 0 BDAARO O=C(C[NH+]1CCCCCC1)NCc1ccco1 ZINC000014194701 342878007 /nfs/dbraw/zinc/87/80/07/342878007.db2.gz PHJJVABKWHBMCY-UHFFFAOYSA-N 1 0 236.315 1.772 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH+](C)CC2)o1 ZINC000016605944 398309413 /nfs/dbraw/zinc/30/94/13/398309413.db2.gz YHVSCSPSIQFXGV-UHFFFAOYSA-N 1 0 222.288 1.412 50 0 BDAARO CC[C@H]1C[N@H+](CC(N)=O)CC[C@@H]1c1ccccc1 ZINC000096445746 398318147 /nfs/dbraw/zinc/31/81/47/398318147.db2.gz FFWSOQPHWCAMLX-JSGCOSHPSA-N 1 0 246.354 1.987 50 0 BDAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000016082755 342905953 /nfs/dbraw/zinc/90/59/53/342905953.db2.gz KLQYKJMMAPSQCP-WCQYABFASA-N 1 0 233.311 1.928 50 0 BDAARO CCCCCCS(=O)(=O)CCCC[NH3+] ZINC000058251599 398323127 /nfs/dbraw/zinc/32/31/27/398323127.db2.gz CPRKASKIKNFFJK-UHFFFAOYSA-N 1 0 221.366 1.720 50 0 BDAARO C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000016580686 342912582 /nfs/dbraw/zinc/91/25/82/342912582.db2.gz IQIGESWSQGAICG-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@H]([NH2+]Cc1nccn1C)[C@H](C)n1cccn1 ZINC000069368363 398329790 /nfs/dbraw/zinc/32/97/90/398329790.db2.gz TVZWBTLZDIATPC-QWRGUYRKSA-N 1 0 233.319 1.356 50 0 BDAARO CSCCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000158411043 398332343 /nfs/dbraw/zinc/33/23/43/398332343.db2.gz OHSLLOJTRULSBC-WDEREUQCSA-N 1 0 244.404 1.763 50 0 BDAARO O=C1CC[C@@H](C[NH2+]Cc2ccccc2)N1 ZINC000019087844 342941413 /nfs/dbraw/zinc/94/14/13/342941413.db2.gz HPAUTESKHRLFMY-NSHDSACASA-N 1 0 204.273 1.055 50 0 BDAARO CCCCN(C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019436478 342948695 /nfs/dbraw/zinc/94/86/95/342948695.db2.gz GJDGIJKSIQTENB-CYBMUJFWSA-N 1 0 234.343 1.815 50 0 BDAARO CC[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019499949 342950038 /nfs/dbraw/zinc/95/00/38/342950038.db2.gz ZVXYMPPYQQYSID-CYBMUJFWSA-N 1 0 233.359 1.998 50 0 BDAARO C[C@H](Cc1ccc(F)cc1)NC(=O)C1C[NH2+]C1 ZINC000019685952 342953598 /nfs/dbraw/zinc/95/35/98/342953598.db2.gz ZTAXFFFEBCOFFU-SECBINFHSA-N 1 0 236.290 1.092 50 0 BDAARO Cc1cc(C)cc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019408453 342947730 /nfs/dbraw/zinc/94/77/30/342947730.db2.gz PQTLJUDQIGCUJE-GFCCVEGCSA-N 1 0 218.300 1.994 50 0 BDAARO O=C([C@@H]1CCCC[NH2+]1)N1CCc2ccccc21 ZINC000019409747 342947864 /nfs/dbraw/zinc/94/78/64/342947864.db2.gz YQRNFSBMIPFRQD-LBPRGKRZSA-N 1 0 230.311 1.718 50 0 BDAARO Cc1ccc(C)n1CCC[NH+]1CCOCC1 ZINC000019797621 342958223 /nfs/dbraw/zinc/95/82/23/342958223.db2.gz XREZDJCDHLTOMJ-UHFFFAOYSA-N 1 0 222.332 1.827 50 0 BDAARO CCOc1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000019795685 342958363 /nfs/dbraw/zinc/95/83/63/342958363.db2.gz AMGSLUFNOJSTBN-LBPRGKRZSA-N 1 0 208.305 1.647 50 0 BDAARO Cc1ccc([C@H](C[NH3+])N2CCOCC2)cc1 ZINC000019735753 342955281 /nfs/dbraw/zinc/95/52/81/342955281.db2.gz VXNXXWMQOBCFNG-ZDUSSCGKSA-N 1 0 220.316 1.327 50 0 BDAARO CC[NH+](CC)CCOc1ccc(CO)cc1 ZINC000020031289 342966780 /nfs/dbraw/zinc/96/67/80/342966780.db2.gz ATDHATXQAQKFNY-UHFFFAOYSA-N 1 0 223.316 1.900 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000020579442 342991690 /nfs/dbraw/zinc/99/16/90/342991690.db2.gz JEOWTUWCYJLKCG-SECBINFHSA-N 1 0 211.236 1.116 50 0 BDAARO Cc1c[nH]c(CN(C)C(=O)CCc2ccco2)n1 ZINC000020453426 342985598 /nfs/dbraw/zinc/98/55/98/342985598.db2.gz VTIUPRZRSYWGCV-UHFFFAOYSA-N 1 0 247.298 1.902 50 0 BDAARO CCOc1ccc([C@H](O)C[NH3+])cc1OC ZINC000021949442 343028777 /nfs/dbraw/zinc/02/87/77/343028777.db2.gz TYSLQHFYCCDHQF-SECBINFHSA-N 1 0 211.261 1.086 50 0 BDAARO c1cnn(CC[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042540768 362007729 /nfs/dbraw/zinc/00/77/29/362007729.db2.gz XRPOGTWZENFHIA-NSHDSACASA-N 1 0 209.293 1.042 50 0 BDAARO C[C@@]([NH3+])(CO)Cc1ccc(Br)cc1 ZINC000235387621 343076582 /nfs/dbraw/zinc/07/65/82/343076582.db2.gz WMYIXIRNYLRYKD-JTQLQIEISA-N 1 0 244.132 1.701 50 0 BDAARO Cc1cc(N[C@@H](C)[C@H](C)n2cccn2)nc(N)[nH+]1 ZINC000072269687 343116825 /nfs/dbraw/zinc/11/68/25/343116825.db2.gz OPBZFKHXXORSRH-UWVGGRQHSA-N 1 0 246.318 1.625 50 0 BDAARO CC[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000022591700 343140159 /nfs/dbraw/zinc/14/01/59/343140159.db2.gz RBJZDQXCNCUKMV-UHFFFAOYSA-N 1 0 220.316 1.530 50 0 BDAARO CC(C)(C)OC(=O)N(CCC[NH3+])C1CC1 ZINC000032627347 343238797 /nfs/dbraw/zinc/23/87/97/343238797.db2.gz GZGQZAUMPALUSC-UHFFFAOYSA-N 1 0 214.309 1.735 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000048324692 343242624 /nfs/dbraw/zinc/24/26/24/343242624.db2.gz BYXKRBNAYFPMBX-NSHDSACASA-N 1 0 236.315 1.802 50 0 BDAARO CCN(C(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000035220333 343290051 /nfs/dbraw/zinc/29/00/51/343290051.db2.gz TZFLPQKNTWCQAP-LBPRGKRZSA-N 1 0 224.348 1.920 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000036532969 343319961 /nfs/dbraw/zinc/31/99/61/343319961.db2.gz PGBVMVTUWHCOHX-HTQZYQBOSA-N 1 0 200.282 1.391 50 0 BDAARO Fc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1F ZINC000035811641 343304766 /nfs/dbraw/zinc/30/47/66/343304766.db2.gz FWGZLYHSKGFEEA-VIFPVBQESA-N 1 0 229.226 1.332 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000037083412 343333208 /nfs/dbraw/zinc/33/32/08/343333208.db2.gz HSZUFHVLTQMLAL-NWDGAFQWSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000038342320 343374201 /nfs/dbraw/zinc/37/42/01/343374201.db2.gz WTRLYNKEEJOIGJ-IUCAKERBSA-N 1 0 214.309 1.733 50 0 BDAARO O=C([C@H]1C[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000038478385 343375542 /nfs/dbraw/zinc/37/55/42/343375542.db2.gz UBUQVJPGLZRQIQ-STQMWFEESA-N 1 0 248.301 1.361 50 0 BDAARO COC(=O)c1ccccc1[C@H]1CCC[NH2+]C1 ZINC000038539382 343376852 /nfs/dbraw/zinc/37/68/52/343376852.db2.gz SGQRCLIEGTXDEC-JTQLQIEISA-N 1 0 219.284 1.940 50 0 BDAARO FC(F)Oc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000037405146 343344757 /nfs/dbraw/zinc/34/47/57/343344757.db2.gz FXDWUZSREAPFCN-JTQLQIEISA-N 1 0 229.226 1.949 50 0 BDAARO CN(C)c1ccc(NC(=O)CC[NH3+])cc1Cl ZINC000037768857 343354787 /nfs/dbraw/zinc/35/47/87/343354787.db2.gz BAQHWPMYUUWZDF-UHFFFAOYSA-N 1 0 241.722 1.693 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000039093823 343381784 /nfs/dbraw/zinc/38/17/84/343381784.db2.gz OBSACSBMTRJNPH-DTWKUNHWSA-N 1 0 214.309 1.781 50 0 BDAARO Cn1cc(C[NH2+]C[C@H](O)c2ccccc2F)cn1 ZINC000041159795 343416813 /nfs/dbraw/zinc/41/68/13/343416813.db2.gz PEIOGNGWDMHYAJ-ZDUSSCGKSA-N 1 0 249.289 1.382 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H](C(N)=[NH2+])C1 ZINC000042463281 343439693 /nfs/dbraw/zinc/43/96/93/343439693.db2.gz VMBVTZTVUJHADD-QMMMGPOBSA-N 1 0 227.308 1.569 50 0 BDAARO COC(=O)c1ccccc1OCC1CC[NH2+]CC1 ZINC000042775635 343452135 /nfs/dbraw/zinc/45/21/35/343452135.db2.gz UKTXZSQRMGXQDY-UHFFFAOYSA-N 1 0 249.310 1.852 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1C1CCCC1 ZINC000045088266 343523338 /nfs/dbraw/zinc/52/33/38/343523338.db2.gz JYLQHMFAGJBLPQ-STQMWFEESA-N 1 0 236.359 1.920 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C1CCCC1 ZINC000045088268 343523470 /nfs/dbraw/zinc/52/34/70/343523470.db2.gz JYLQHMFAGJBLPQ-QWHCGFSZSA-N 1 0 236.359 1.920 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000058874224 343703294 /nfs/dbraw/zinc/70/32/94/343703294.db2.gz SQBSGIBONFQUHG-GFCCVEGCSA-N 1 0 240.347 1.110 50 0 BDAARO C[NH2+]Cc1nnc2n1CCC[C@H]2C(F)(F)F ZINC000409429242 343805302 /nfs/dbraw/zinc/80/53/02/343805302.db2.gz QHAAJNQRBSLPEV-ZCFIWIBFSA-N 1 0 234.225 1.437 50 0 BDAARO CCOC(=O)c1sc([C@@H]2CC[NH2+]C2)nc1C ZINC000396136563 343811126 /nfs/dbraw/zinc/81/11/26/343811126.db2.gz ITNWCGKAZOTUSV-MRVPVSSYSA-N 1 0 240.328 1.705 50 0 BDAARO CCc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000069415173 537822328 /nfs/dbraw/zinc/82/23/28/537822328.db2.gz PYTVQJBYMWMEON-UHFFFAOYSA-N 1 0 217.316 1.688 50 0 BDAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000300394621 537829496 /nfs/dbraw/zinc/82/94/96/537829496.db2.gz SFTCTULRMQLPKW-DCAQKATOSA-N 1 0 215.362 1.633 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNCc1ccccn1 ZINC000095223304 344333868 /nfs/dbraw/zinc/33/38/68/344333868.db2.gz KEWZRWGYHXXRLK-CYBMUJFWSA-N 1 0 219.332 1.656 50 0 BDAARO C[NH+](C)[C@@H]1CCN(Cc2ccncc2F)C1 ZINC000114880619 344698700 /nfs/dbraw/zinc/69/87/00/344698700.db2.gz OLSDEWLMSKXOFJ-LLVKDONJSA-N 1 0 223.295 1.357 50 0 BDAARO Cc1nnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)n1C ZINC000248120761 345044603 /nfs/dbraw/zinc/04/46/03/345044603.db2.gz JZORZJKLJOHLGW-VXGBXAGGSA-N 1 0 234.347 1.888 50 0 BDAARO C[C@]1(C(=O)Nc2nccs2)CCC[NH2+]C1 ZINC000062851653 345463110 /nfs/dbraw/zinc/46/31/10/345463110.db2.gz OQQFCFKXMNQBSW-JTQLQIEISA-N 1 0 225.317 1.471 50 0 BDAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)CN1C ZINC000252477606 345526602 /nfs/dbraw/zinc/52/66/02/345526602.db2.gz RGLPTCLUYOGMCQ-XBFCOCLRSA-N 1 0 237.391 1.153 50 0 BDAARO CC(=O)N1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000095983165 345686885 /nfs/dbraw/zinc/68/68/85/345686885.db2.gz GEEVSPQNXPSVJK-NSHDSACASA-N 1 0 212.337 1.585 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])n1 ZINC000063192690 179008356 /nfs/dbraw/zinc/00/83/56/179008356.db2.gz KVSXMJZKXXBHMD-WCQYABFASA-N 1 0 247.342 1.732 50 0 BDAARO Cc1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1C ZINC000041161802 179009710 /nfs/dbraw/zinc/00/97/10/179009710.db2.gz MCEPJQVTXBSGCX-LBPRGKRZSA-N 1 0 248.326 1.103 50 0 BDAARO Cc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC000070076543 179012441 /nfs/dbraw/zinc/01/24/41/179012441.db2.gz RZYZSMRZDMUGTN-GHMZBOCLSA-N 1 0 233.315 1.212 50 0 BDAARO Cc1cccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC000070076544 179013262 /nfs/dbraw/zinc/01/32/62/179013262.db2.gz RZYZSMRZDMUGTN-QWRGUYRKSA-N 1 0 233.315 1.212 50 0 BDAARO Cc1cccc(C[NH+](C[C@@H](C)O)C[C@@H](C)O)c1 ZINC000000759123 179072619 /nfs/dbraw/zinc/07/26/19/179072619.db2.gz RICIYQLEWHRWOG-CHWSQXEVSA-N 1 0 237.343 1.559 50 0 BDAARO O=C(CN1CCCC1)Nc1cc(F)ccc1F ZINC000005936087 346446045 /nfs/dbraw/zinc/44/60/45/346446045.db2.gz WHCIMVKQIJJSOD-UHFFFAOYSA-N 1 0 240.253 1.999 50 0 BDAARO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](C)[NH3+])n1 ZINC000157547387 179190168 /nfs/dbraw/zinc/19/01/68/179190168.db2.gz FKUGJVBUFUXKJF-PWSUYJOCSA-N 1 0 233.315 1.401 50 0 BDAARO Cc1cccc([C@H](C)NC[C@H](O)C[NH+](C)C)c1 ZINC000096477263 179196988 /nfs/dbraw/zinc/19/69/88/179196988.db2.gz GSYIJRXEHAVPNJ-JSGCOSHPSA-N 1 0 236.359 1.568 50 0 BDAARO c1csc(C[NH2+]CCN2CCCC2)c1 ZINC000020126769 347408998 /nfs/dbraw/zinc/40/89/98/347408998.db2.gz HBZNVKZQEXDYSA-UHFFFAOYSA-N 1 0 210.346 1.934 50 0 BDAARO C[Si](C)(C)C[N@@H+]1CCCC[C@@H]1CN ZINC000401690813 347583947 /nfs/dbraw/zinc/58/39/47/347583947.db2.gz QBIVOHRTMVLAKB-SNVBAGLBSA-N 1 0 200.402 1.677 50 0 BDAARO CCn1nccc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000195566319 347647263 /nfs/dbraw/zinc/64/72/63/347647263.db2.gz RYCHEEHJNIKPGP-VXGBXAGGSA-N 1 0 237.347 1.496 50 0 BDAARO Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000037718800 179280086 /nfs/dbraw/zinc/28/00/86/179280086.db2.gz RMGMSRBMSAPPQA-ZDUSSCGKSA-N 1 0 232.327 1.753 50 0 BDAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000090849989 179291354 /nfs/dbraw/zinc/29/13/54/179291354.db2.gz MCMYYQAAAIHSOE-DZGCQCFKSA-N 1 0 249.354 1.667 50 0 BDAARO Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000019410207 179302097 /nfs/dbraw/zinc/30/20/97/179302097.db2.gz JJVADTHCQFEPKM-LLVKDONJSA-N 1 0 204.273 1.686 50 0 BDAARO COC(=O)C[C@@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000095845638 348838534 /nfs/dbraw/zinc/83/85/34/348838534.db2.gz AWFWTEYDIPQVSG-ZETCQYMHSA-N 1 0 247.216 1.537 50 0 BDAARO C1C[NH+](C23CC4CC(CC(C4)C2)C3)CCN1 ZINC000019360496 187417385 /nfs/dbraw/zinc/41/73/85/187417385.db2.gz DXYGTOJPNHDXRM-UHFFFAOYSA-N 1 0 220.360 1.860 50 0 BDAARO CC[C@@]1(C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000230571019 350023131 /nfs/dbraw/zinc/02/31/31/350023131.db2.gz NVQBEHUDULEKJC-NSHDSACASA-N 1 0 214.309 1.735 50 0 BDAARO CC[C@@](C)([NH3+])CNC(=O)NC1CCCC1 ZINC000725254827 538048825 /nfs/dbraw/zinc/04/88/25/538048825.db2.gz FITAJWXJMYFHSR-LLVKDONJSA-N 1 0 213.325 1.356 50 0 BDAARO Cc1nc(CN2CCC[NH2+]CC2)cs1 ZINC000020253471 179953700 /nfs/dbraw/zinc/95/37/00/179953700.db2.gz ZXMRSRLKEACDHW-UHFFFAOYSA-N 1 0 211.334 1.247 50 0 BDAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000072343754 180044004 /nfs/dbraw/zinc/04/40/04/180044004.db2.gz SYTDTTOSSFJHIC-SNVBAGLBSA-N 1 0 220.320 1.318 50 0 BDAARO Cc1ncccc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000094649199 180210568 /nfs/dbraw/zinc/21/05/68/180210568.db2.gz DASVEWZVWNZLIE-NXEZZACHSA-N 1 0 233.315 1.212 50 0 BDAARO COC(=O)CC(C)(C)[NH2+]Cc1nc(C)cs1 ZINC000076020962 362952432 /nfs/dbraw/zinc/95/24/32/362952432.db2.gz XRELXDPMWCOOKU-UHFFFAOYSA-N 1 0 242.344 1.883 50 0 BDAARO C[C@H]1N(C)CCO[C@]1(O)c1ccccc1 ZINC000034290679 350262285 /nfs/dbraw/zinc/26/22/85/350262285.db2.gz RQSXOILZKDHRSN-PWSUYJOCSA-N 1 0 207.273 1.182 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)n1 ZINC000040493352 350370915 /nfs/dbraw/zinc/37/09/15/350370915.db2.gz DERVAJBNFMYWGP-GFCCVEGCSA-N 1 0 247.342 1.604 50 0 BDAARO Cc1nn(C)c(Cl)c1CNCCC[NH+](C)C ZINC000058179147 180350773 /nfs/dbraw/zinc/35/07/73/180350773.db2.gz GFQWYWZJEUOXMX-UHFFFAOYSA-N 1 0 244.770 1.423 50 0 BDAARO C(CN1CCOCC1)C[NH+]1CCCCCCC1 ZINC000157347367 191116736 /nfs/dbraw/zinc/11/67/36/191116736.db2.gz PATQAASGIPKBMD-UHFFFAOYSA-N 1 0 240.391 1.975 50 0 BDAARO CCN1CC[NH+](CCCSC)CC1 ZINC000022027684 350743334 /nfs/dbraw/zinc/74/33/34/350743334.db2.gz CDDWDVDLKPKDQD-UHFFFAOYSA-N 1 0 202.367 1.377 50 0 BDAARO CC(C)CNC(=[NH2+])NCCc1cccnc1 ZINC000052042321 350895897 /nfs/dbraw/zinc/89/58/97/350895897.db2.gz OBOSJICHPHFREL-UHFFFAOYSA-N 1 0 220.320 1.394 50 0 BDAARO Clc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000001317824 180582895 /nfs/dbraw/zinc/58/28/95/180582895.db2.gz XAUFGRBPRFQPRU-ONGXEEELSA-N 1 0 208.692 1.891 50 0 BDAARO CCOc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178569007 188080611 /nfs/dbraw/zinc/08/06/11/188080611.db2.gz TYUDFDLYIQUGER-NSHDSACASA-N 1 0 248.326 1.506 50 0 BDAARO CC1(C)OC[C@@H]([NH3+])[C@@H](c2ccccc2)O1 ZINC000005903053 188081673 /nfs/dbraw/zinc/08/16/73/188081673.db2.gz ILNGCJMEDIBPTL-GHMZBOCLSA-N 1 0 207.273 1.838 50 0 BDAARO CC(=O)N1CCC([NH+]2CCCCCC2)CC1 ZINC000000759093 188100179 /nfs/dbraw/zinc/10/01/79/188100179.db2.gz BGGGYZYCNTXSEH-UHFFFAOYSA-N 1 0 224.348 1.873 50 0 BDAARO [NH3+]Cc1ccccc1Oc1cnccn1 ZINC000002513063 188100791 /nfs/dbraw/zinc/10/07/91/188100791.db2.gz HPGRJBQQKMSIAP-UHFFFAOYSA-N 1 0 201.229 1.728 50 0 BDAARO CCn1cc(Br)c(C[NH3+])n1 ZINC000002537526 188101148 /nfs/dbraw/zinc/10/11/48/188101148.db2.gz BMDXWVDXUZDIIO-UHFFFAOYSA-N 1 0 204.071 1.124 50 0 BDAARO CC1(C)OC[C@H]([NH3+])[C@H](c2ccccc2)O1 ZINC000003882955 188101654 /nfs/dbraw/zinc/10/16/54/188101654.db2.gz ILNGCJMEDIBPTL-QWRGUYRKSA-N 1 0 207.273 1.838 50 0 BDAARO C1=CC[C@H](C[NH2+]CCCN2CCOCC2)CC1 ZINC000004559161 188102418 /nfs/dbraw/zinc/10/24/18/188102418.db2.gz QDBFOYVRKFPXBU-AWEZNQCLSA-N 1 0 238.375 1.655 50 0 BDAARO CC(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](C)[NH+](C)C ZINC000006932155 188103309 /nfs/dbraw/zinc/10/33/09/188103309.db2.gz DIQROJVJEOVKAC-ZWNOBZJWSA-N 1 0 248.326 1.780 50 0 BDAARO COc1ccc(Cl)cc1NC(=O)CC[NH3+] ZINC000011755176 188104753 /nfs/dbraw/zinc/10/47/53/188104753.db2.gz CPNVEYJNXFEPNJ-UHFFFAOYSA-N 1 0 228.679 1.636 50 0 BDAARO C[NH2+]Cc1ccc(CN2CCOCC2)s1 ZINC000016942932 188107121 /nfs/dbraw/zinc/10/71/21/188107121.db2.gz LJPRPFHZPNCEIQ-UHFFFAOYSA-N 1 0 226.345 1.300 50 0 BDAARO CC(C)[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000043765822 188123175 /nfs/dbraw/zinc/12/31/75/188123175.db2.gz VXHKLJJCQOHBCZ-UHFFFAOYSA-N 1 0 210.321 1.339 50 0 BDAARO COc1ccc(CN(C)CC[NH+](C)C)cc1C ZINC000019606769 188107922 /nfs/dbraw/zinc/10/79/22/188107922.db2.gz BNSMNQARJVCMCM-UHFFFAOYSA-N 1 0 236.359 1.997 50 0 BDAARO COc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000036383216 188112599 /nfs/dbraw/zinc/11/25/99/188112599.db2.gz PMOYUUSJCIXDLX-SNVBAGLBSA-N 1 0 249.232 1.708 50 0 BDAARO CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000040615332 188118681 /nfs/dbraw/zinc/11/86/81/188118681.db2.gz AYAKINYXWMFAMZ-ZDUSSCGKSA-N 1 0 220.316 1.734 50 0 BDAARO CC(C)(C)n1cc(C[NH2+]CCn2cccn2)cn1 ZINC000042351611 188119696 /nfs/dbraw/zinc/11/96/96/188119696.db2.gz JMQSNVKXNXKCNI-UHFFFAOYSA-N 1 0 247.346 1.624 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)CC(F)(F)F ZINC000132984536 188145956 /nfs/dbraw/zinc/14/59/56/188145956.db2.gz RGTVXZZZLFAHKM-MRVPVSSYSA-N 1 0 240.269 1.771 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000092560223 188130488 /nfs/dbraw/zinc/13/04/88/188130488.db2.gz INVSLLICMTXVTR-YPMHNXCESA-N 1 0 226.364 1.929 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C1=CCCC1 ZINC000095415264 188145735 /nfs/dbraw/zinc/14/57/35/188145735.db2.gz WZMLLCLRUQTAKY-ZDUSSCGKSA-N 1 0 236.359 1.895 50 0 BDAARO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCOC2)n1 ZINC000112716730 188153367 /nfs/dbraw/zinc/15/33/67/188153367.db2.gz AQTOJZLWMSLZDP-NSHDSACASA-N 1 0 236.315 1.612 50 0 BDAARO FC(F)(F)c1ccc(C2C[NH2+]C2)nc1 ZINC000091362217 180892433 /nfs/dbraw/zinc/89/24/33/180892433.db2.gz VTOMIJLPOWJWGB-UHFFFAOYSA-N 1 0 202.179 1.787 50 0 BDAARO O=[n+]1c2c(n(O)c3c1CCCCC3)CCCC2 ZINC000103721670 188160082 /nfs/dbraw/zinc/16/00/82/188160082.db2.gz AIMKFBPAXARJMI-UHFFFAOYSA-N 1 0 235.307 1.788 50 0 BDAARO FC(F)(F)c1nccc(C2CC[NH2+]CC2)n1 ZINC000043673968 180898330 /nfs/dbraw/zinc/89/83/30/180898330.db2.gz VJAVRDKFWUNMGW-UHFFFAOYSA-N 1 0 231.221 1.962 50 0 BDAARO C1CC(c2nc([C@@H]3CN4CCC[C@@H]4CO3)no2)C1 ZINC000225599803 188181172 /nfs/dbraw/zinc/18/11/72/188181172.db2.gz HYNXAULQTVKROM-MNOVXSKESA-N 1 0 249.314 1.873 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000097086468 188190018 /nfs/dbraw/zinc/19/00/18/188190018.db2.gz HEUUAYFTZUWFKI-YPMHNXCESA-N 1 0 226.364 1.929 50 0 BDAARO CC(C)COCCN1CCC[N@@H+](C2CC2)CC1 ZINC000241326134 188192276 /nfs/dbraw/zinc/19/22/76/188192276.db2.gz LZMMFFPAJFVYSF-UHFFFAOYSA-N 1 0 240.391 1.829 50 0 BDAARO Cc1cnc(SCc2cnc(C)nc2N)nc1 ZINC000001061537 188222693 /nfs/dbraw/zinc/22/26/93/188222693.db2.gz DYCKDESXKLNYEI-UHFFFAOYSA-N 1 0 247.327 1.758 50 0 BDAARO CC(C)(O)C[NH2+]Cc1cccc2c1OCCO2 ZINC000096480848 188224169 /nfs/dbraw/zinc/22/41/69/188224169.db2.gz GDFSCIIGOZIVKG-UHFFFAOYSA-N 1 0 237.299 1.318 50 0 BDAARO C[C@@H](CC(=O)Nc1ccccn1)[NH+]1CCCC1 ZINC000001398905 353368405 /nfs/dbraw/zinc/36/84/05/353368405.db2.gz AELNGBFNKLFIAV-NSHDSACASA-N 1 0 233.315 1.895 50 0 BDAARO Fc1cccc(CCCN2CC[NH2+]CC2)c1 ZINC000019801371 180994737 /nfs/dbraw/zinc/99/47/37/180994737.db2.gz PCEJKOIWMOISBH-UHFFFAOYSA-N 1 0 222.307 1.664 50 0 BDAARO Fc1cccnc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000071639346 181015665 /nfs/dbraw/zinc/01/56/65/181015665.db2.gz QXAVAJWGORSZOP-DHPDLVEQSA-N 1 0 248.301 1.830 50 0 BDAARO CC(C)n1cc(CN(C)[C@@H]2CC[NH2+]C2)cn1 ZINC000220107427 353821168 /nfs/dbraw/zinc/82/11/68/353821168.db2.gz JAWKPYKAGFURKA-GFCCVEGCSA-N 1 0 222.336 1.258 50 0 BDAARO NC(=[NH2+])NCCCOc1ccccc1Cl ZINC000071533446 181189398 /nfs/dbraw/zinc/18/93/98/181189398.db2.gz WTFLNXDJMKBGBJ-UHFFFAOYSA-N 1 0 227.695 1.592 50 0 BDAARO NC(=[NH2+])SCC(=O)N1CCCCCCC1 ZINC000029335550 181190680 /nfs/dbraw/zinc/19/06/80/181190680.db2.gz ZACKTQYYCBEZSP-UHFFFAOYSA-N 1 0 229.349 1.406 50 0 BDAARO NC(=[NH2+])SC[C@@H]1COc2ccccc2O1 ZINC000003905265 181192029 /nfs/dbraw/zinc/19/20/29/181192029.db2.gz YNHSHETUOFYTPN-ZETCQYMHSA-N 1 0 224.285 1.453 50 0 BDAARO NC(=[NH2+])[C@@H]1CN(Cc2ccccc2)C(=O)NC1=O ZINC000072115187 181192906 /nfs/dbraw/zinc/19/29/06/181192906.db2.gz IUDFLJQKOKLSCD-VIFPVBQESA-N 1 0 246.270 1.131 50 0 BDAARO [NH2+]=C(NC[C@@H]1Cc2ccccc2O1)NC1CC1 ZINC000052042726 181198679 /nfs/dbraw/zinc/19/86/79/181198679.db2.gz WENJKVJKFAYUJV-NSHDSACASA-N 1 0 231.299 1.266 50 0 BDAARO CCc1ccccc1[C@@]1(O)CCC[NH2+]C1 ZINC000238315143 356382335 /nfs/dbraw/zinc/38/23/35/356382335.db2.gz SWYMUJVPZWUYIT-CYBMUJFWSA-N 1 0 205.301 1.820 50 0 BDAARO NC(=O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000058346818 181278099 /nfs/dbraw/zinc/27/80/99/181278099.db2.gz PPRXELUQRNIPDC-LBPRGKRZSA-N 1 0 218.300 1.699 50 0 BDAARO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H]2C)C1 ZINC000252517722 363538377 /nfs/dbraw/zinc/53/83/77/363538377.db2.gz PVPYEWASVQBCNQ-UTUOFQBUSA-N 1 0 224.348 1.491 50 0 BDAARO CCOc1cccc2c1OC[C@@H]([C@H](C)[NH3+])C2 ZINC000675063573 538490047 /nfs/dbraw/zinc/49/00/47/538490047.db2.gz IITOSLYLEAZXOE-ONGXEEELSA-N 1 0 221.300 1.984 50 0 BDAARO CCOc1cccc2c1OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675063571 538490137 /nfs/dbraw/zinc/49/01/37/538490137.db2.gz IITOSLYLEAZXOE-MWLCHTKSSA-N 1 0 221.300 1.984 50 0 BDAARO CC1(C)C[N@H+](CC2CC2)CC[S@]1=O ZINC000089919659 538586506 /nfs/dbraw/zinc/58/65/06/538586506.db2.gz ZOFXLKAMQCPODX-ZDUSSCGKSA-N 1 0 201.335 1.239 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)c1nnc2ccccn21 ZINC000019516904 356795729 /nfs/dbraw/zinc/79/57/29/356795729.db2.gz OLPQUYDZLAEHKJ-LBPRGKRZSA-N 1 0 238.294 1.972 50 0 BDAARO C[S@@](=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000075103978 356833783 /nfs/dbraw/zinc/83/37/83/356833783.db2.gz VYCJTMQOSHNHDW-AWEZNQCLSA-N 1 0 209.314 1.676 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392392907 357150911 /nfs/dbraw/zinc/15/09/11/357150911.db2.gz WNAZYNKTBYHFMX-SNXWAXQRSA-N 1 0 220.320 1.952 50 0 BDAARO CC[NH2+]Cc1cc(-c2ccc(N)cc2)n[nH]1 ZINC000685949167 538892582 /nfs/dbraw/zinc/89/25/82/538892582.db2.gz MIUPJXURIYRLSS-UHFFFAOYSA-N 1 0 216.288 1.768 50 0 BDAARO CC(=O)N1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000095983164 360342380 /nfs/dbraw/zinc/34/23/80/360342380.db2.gz GEEVSPQNXPSVJK-LLVKDONJSA-N 1 0 212.337 1.585 50 0 BDAARO CSc1ccccc1C(=O)NCC[NH+](C)C ZINC000006701364 360624847 /nfs/dbraw/zinc/62/48/47/360624847.db2.gz JKVLKRWNGHCGML-UHFFFAOYSA-N 1 0 238.356 1.700 50 0 BDAARO Cc1ccc(C[N@@H+](C)[C@@H](C)C(N)=O)cc1 ZINC000006981045 361166997 /nfs/dbraw/zinc/16/69/97/361166997.db2.gz YJPDHEDHPPDIBU-JTQLQIEISA-N 1 0 206.289 1.301 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@H]1C(C)=CCC[C@H]1C ZINC000249083042 361187658 /nfs/dbraw/zinc/18/76/58/361187658.db2.gz LXIXPPOSKIWXKE-MCIONIFRSA-N 1 0 241.375 1.918 50 0 BDAARO [NH3+]C1(CNC(=O)NC2CCCC2)CCC1 ZINC000236162787 181331359 /nfs/dbraw/zinc/33/13/59/181331359.db2.gz ACJXHLOEWOAURU-UHFFFAOYSA-N 1 0 211.309 1.110 50 0 BDAARO [NH3+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000063077134 181332985 /nfs/dbraw/zinc/33/29/85/181332985.db2.gz TVDYGDHSWDMGHA-UHFFFAOYSA-N 1 0 209.264 1.876 50 0 BDAARO [NH3+]C1(c2nc([C@@H]3CCOC3)no2)CCCCC1 ZINC000087804100 181335260 /nfs/dbraw/zinc/33/52/60/181335260.db2.gz YLDMEIQHGIKFOY-SECBINFHSA-N 1 0 237.303 1.692 50 0 BDAARO [NH3+]C1(c2ncc(Br)cn2)CC1 ZINC000095803035 181334857 /nfs/dbraw/zinc/33/48/57/181334857.db2.gz WQPXUGGREHDFQY-UHFFFAOYSA-N 1 0 214.066 1.187 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000036827043 361548659 /nfs/dbraw/zinc/54/86/59/361548659.db2.gz YGQOSTJHICZNQM-AXFHLTTASA-N 1 0 210.321 1.515 50 0 BDAARO [NH3+]C1CCN(C(=O)N2CCCCC2)CC1 ZINC000054957063 181343149 /nfs/dbraw/zinc/34/31/49/181343149.db2.gz YNYJDOPTDSNUQJ-UHFFFAOYSA-N 1 0 211.309 1.015 50 0 BDAARO [NH3+]C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000036753512 181343445 /nfs/dbraw/zinc/34/34/45/181343445.db2.gz FHJCEXVWFHABPH-UHFFFAOYSA-N 1 0 243.310 1.731 50 0 BDAARO CCCCNC(=O)NCC1([NH3+])CCC(C)CC1 ZINC000725254813 541331994 /nfs/dbraw/zinc/33/19/94/541331994.db2.gz DTAIDOUXBDOVHJ-UHFFFAOYSA-N 1 0 241.379 1.993 50 0 BDAARO [NH3+]CC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000019431283 181356113 /nfs/dbraw/zinc/35/61/13/181356113.db2.gz BZQGZAVHPZXJBL-UHFFFAOYSA-N 1 0 234.177 1.482 50 0 BDAARO [NH3+]CC1CCN(C(=O)Cc2ccccc2)CC1 ZINC000020182523 181365704 /nfs/dbraw/zinc/36/57/04/181365704.db2.gz ZOIMHMPVUNOXNM-UHFFFAOYSA-N 1 0 232.327 1.426 50 0 BDAARO CCCn1cnnc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000584888879 369037291 /nfs/dbraw/zinc/03/72/91/369037291.db2.gz AKRKEFYKNAPURW-SNVBAGLBSA-N 1 0 238.335 1.518 50 0 BDAARO Cc1nc[nH]c1CN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000584894634 369042205 /nfs/dbraw/zinc/04/22/05/369042205.db2.gz QAKMYEJJYXBMQD-LBPRGKRZSA-N 1 0 236.363 1.634 50 0 BDAARO [NH3+]C[C@H](c1ccccc1)N1CCOCC1 ZINC000019272592 181454810 /nfs/dbraw/zinc/45/48/10/181454810.db2.gz WSNSRJWLIVDXDI-GFCCVEGCSA-N 1 0 206.289 1.019 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000008699284 370356135 /nfs/dbraw/zinc/35/61/35/370356135.db2.gz YFQZRSSPZDVWSK-VXGBXAGGSA-N 1 0 235.283 1.171 50 0 BDAARO CC(C)c1nc(C[NH+]2CCCCC2)cc(=O)[nH]1 ZINC000013143188 371014510 /nfs/dbraw/zinc/01/45/10/371014510.db2.gz XCGDCAOQZGUEPL-UHFFFAOYSA-N 1 0 235.331 1.879 50 0 BDAARO CC(C)c1cc(C(=O)NC2CC[NH2+]CC2)no1 ZINC000019146949 371118412 /nfs/dbraw/zinc/11/84/12/371118412.db2.gz BHIYUIUDXIJUKT-UHFFFAOYSA-N 1 0 237.303 1.280 50 0 BDAARO C/C=C(\C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000390590153 371218631 /nfs/dbraw/zinc/21/86/31/371218631.db2.gz ZBVJZEJMQVKKBM-RUDMXATFSA-N 1 0 210.321 1.681 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000132208890 181586359 /nfs/dbraw/zinc/58/63/59/181586359.db2.gz NWZZWBLDDQTWSM-MVIFTORASA-N 1 0 234.274 1.399 50 0 BDAARO CC[N@@H+](Cc1ccoc1)C[C@H]1CCOCO1 ZINC000095960656 371361495 /nfs/dbraw/zinc/36/14/95/371361495.db2.gz PLCWUEJWCNBKHF-GFCCVEGCSA-N 1 0 225.288 1.865 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccccn2)C1 ZINC000606441954 372103090 /nfs/dbraw/zinc/10/30/90/372103090.db2.gz GAVNXSZTDMQMMB-ZADCQDASSA-N 1 0 231.299 1.045 50 0 BDAARO NC(=O)c1ccccc1C1CC[NH2+]CC1 ZINC000059163259 372147367 /nfs/dbraw/zinc/14/73/67/372147367.db2.gz FMIPLBRBLOPRFW-UHFFFAOYSA-N 1 0 204.273 1.253 50 0 BDAARO O=C(C[C@@H]1CCC[NH2+]1)NCC1(C2CC2)CC1 ZINC000125465472 182018152 /nfs/dbraw/zinc/01/81/52/182018152.db2.gz CKFIWAGRXYSCCD-NSHDSACASA-N 1 0 222.332 1.435 50 0 BDAARO O=C(C[C@H]1CCC[NH2+]1)NCC1(C2CC2)CC1 ZINC000125465300 182026933 /nfs/dbraw/zinc/02/69/33/182026933.db2.gz CKFIWAGRXYSCCD-LLVKDONJSA-N 1 0 222.332 1.435 50 0 BDAARO O=C(CN1CCC[C@H](O)C1)Nc1ccccc1 ZINC000039490720 372986041 /nfs/dbraw/zinc/98/60/41/372986041.db2.gz NFEGPUFXUXDOSM-LBPRGKRZSA-N 1 0 234.299 1.082 50 0 BDAARO C[N@H+](CC(=O)NC1CC1)C1CCCCCC1 ZINC000040477645 373295709 /nfs/dbraw/zinc/29/57/09/373295709.db2.gz SWZVQWIPARKIPS-UHFFFAOYSA-N 1 0 224.348 1.920 50 0 BDAARO CC[N@@H+](Cc1cccnc1)C[C@H]1CCOC1 ZINC000069452720 373280884 /nfs/dbraw/zinc/28/08/84/373280884.db2.gz RCAUVPAJOXENLE-CYBMUJFWSA-N 1 0 220.316 1.940 50 0 BDAARO O=C(NCC[NH+]1CCCC1)c1cccs1 ZINC000004476149 182184620 /nfs/dbraw/zinc/18/46/20/182184620.db2.gz MEUKGVCYMSPJBG-UHFFFAOYSA-N 1 0 224.329 1.574 50 0 BDAARO O=C(NCC[NH+]1CCCC1)c1cccc(F)c1 ZINC000000383054 182184850 /nfs/dbraw/zinc/18/48/50/182184850.db2.gz RPLJWMVKOFCLHV-UHFFFAOYSA-N 1 0 236.290 1.651 50 0 BDAARO O=C(NCC[NH+]1CCCC1)c1ccccc1F ZINC000004560825 182184546 /nfs/dbraw/zinc/18/45/46/182184546.db2.gz PWPVUCPXTWEMSV-UHFFFAOYSA-N 1 0 236.290 1.651 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1ccccn1 ZINC000000794138 182184241 /nfs/dbraw/zinc/18/42/41/182184241.db2.gz YDSZTZIVJFBEMC-UHFFFAOYSA-N 1 0 233.315 1.297 50 0 BDAARO O=C(NCC[NH2+]C1CCCCC1)c1ccco1 ZINC000004498174 182188137 /nfs/dbraw/zinc/18/81/37/182188137.db2.gz OVPZUITYKVQBCU-UHFFFAOYSA-N 1 0 236.315 1.932 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1cccs1 ZINC000016603549 182185812 /nfs/dbraw/zinc/18/58/12/182185812.db2.gz JOFWMNHVPWRGNV-UHFFFAOYSA-N 1 0 238.356 1.964 50 0 BDAARO CCc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000041161871 374115948 /nfs/dbraw/zinc/11/59/48/374115948.db2.gz ZLJOHSVAKNHANA-CYBMUJFWSA-N 1 0 248.326 1.049 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cccc(Cl)n1 ZINC000120254861 182295197 /nfs/dbraw/zinc/29/51/97/182295197.db2.gz NJZXGQDXCGALGG-MRVPVSSYSA-N 1 0 239.706 1.217 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000046995100 182335945 /nfs/dbraw/zinc/33/59/45/182335945.db2.gz FOXWULJUWSIXDG-WDEREUQCSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[NH2+]C1 ZINC000034939011 182354119 /nfs/dbraw/zinc/35/41/19/182354119.db2.gz UVDVBUWYEJTZRA-QMMMGPOBSA-N 1 0 239.706 1.673 50 0 BDAARO O=C(Nc1ccc(F)cc1)N[C@H]1CC[NH2+]C1 ZINC000036288044 182355685 /nfs/dbraw/zinc/35/56/85/182355685.db2.gz OVNHILGOFGACGM-JTQLQIEISA-N 1 0 223.251 1.309 50 0 BDAARO O=C(Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000019409175 182355749 /nfs/dbraw/zinc/35/57/49/182355749.db2.gz LYCTYKAQRXKBQE-UHFFFAOYSA-N 1 0 222.263 1.764 50 0 BDAARO O=C(Nc1ccccc1)N1CCc2[nH]cnc2C1 ZINC000065164138 182375880 /nfs/dbraw/zinc/37/58/80/182375880.db2.gz DZAHOINGACYXOX-UHFFFAOYSA-N 1 0 242.282 2.000 50 0 BDAARO O=C1CC/[N+](=C\c2c(F)cccc2Cl)N1 ZINC000005248561 182721110 /nfs/dbraw/zinc/72/11/10/182721110.db2.gz PVJRQGDVGVAEIP-MKMNVTDBSA-O 1 0 227.646 1.345 50 0 BDAARO O=c1[nH]c2ccccc2n1C1CC[NH2+]CC1 ZINC000000119391 182976062 /nfs/dbraw/zinc/97/60/62/182976062.db2.gz BYNBAMHAURJNTR-UHFFFAOYSA-N 1 0 217.272 1.254 50 0 BDAARO OC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000033468527 183028627 /nfs/dbraw/zinc/02/86/27/183028627.db2.gz AYHQACKJUGBNMQ-UHFFFAOYSA-N 1 0 239.290 1.661 50 0 BDAARO OC1(C[NH2+]Cc2cccc(F)c2)CCOCC1 ZINC000112717053 183019921 /nfs/dbraw/zinc/01/99/21/183019921.db2.gz YWLYJEONRYAUNP-UHFFFAOYSA-N 1 0 239.290 1.457 50 0 BDAARO OC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000000132448 183023161 /nfs/dbraw/zinc/02/31/61/183023161.db2.gz LZAYOZUFUAMFLD-UHFFFAOYSA-N 1 0 211.692 1.911 50 0 world BDAARO OC1(c2c(F)cccc2F)CC[NH2+]CC1 ZINC000069758842 183023212 /nfs/dbraw/zinc/02/32/12/183023212.db2.gz UGAGFPMPKXZTRU-UHFFFAOYSA-N 1 0 213.227 1.536 50 0 BDAARO OCC1(C[C@H]2CCCCO2)CC[NH2+]CC1 ZINC000067649531 183036955 /nfs/dbraw/zinc/03/69/55/183036955.db2.gz RDWIIWHUGLWQAH-LLVKDONJSA-N 1 0 213.321 1.308 50 0 BDAARO OCC1(Nc2ccccc2)CC[NH2+]CC1 ZINC000022006985 183039478 /nfs/dbraw/zinc/03/94/78/183039478.db2.gz KKNRLRCRJRGFJI-UHFFFAOYSA-N 1 0 206.289 1.213 50 0 BDAARO OCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022578806 183073731 /nfs/dbraw/zinc/07/37/31/183073731.db2.gz IIOZWXHHYZCCSB-QPJJXVBHSA-N 1 0 246.354 1.310 50 0 BDAARO OCCN1CC[NH+](C2CCCCCCC2)CC1 ZINC000022455851 183073784 /nfs/dbraw/zinc/07/37/84/183073784.db2.gz XEFJIHRHXVUHOP-UHFFFAOYSA-N 1 0 240.391 1.709 50 0 BDAARO OCC[N@@H+]1CCc2onc(-c3ccccc3)c2C1 ZINC000067817042 183076492 /nfs/dbraw/zinc/07/64/92/183076492.db2.gz HCWIMMTUYNSSKW-UHFFFAOYSA-N 1 0 244.294 1.692 50 0 BDAARO OCC[NH2+]CCCOc1ccc(Cl)cc1 ZINC000002899267 183078102 /nfs/dbraw/zinc/07/81/02/183078102.db2.gz VIEUMYFGKTXPHE-UHFFFAOYSA-N 1 0 229.707 1.691 50 0 BDAARO OCC[NH2+]CCCOc1cccc(Cl)c1 ZINC000002902901 183078115 /nfs/dbraw/zinc/07/81/15/183078115.db2.gz RGYVDLICBBNIRJ-UHFFFAOYSA-N 1 0 229.707 1.691 50 0 BDAARO OCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000035113591 183078778 /nfs/dbraw/zinc/07/87/78/183078778.db2.gz VJZNCQNWTWGVHD-UHFFFAOYSA-N 1 0 231.299 1.013 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000106772585 183120541 /nfs/dbraw/zinc/12/05/41/183120541.db2.gz OSEAZCIPVIVMLF-STQMWFEESA-N 1 0 239.290 1.316 50 0 BDAARO OC[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000216958 183149092 /nfs/dbraw/zinc/14/90/92/183149092.db2.gz QGBXUMKPLRBNRM-AWEZNQCLSA-N 1 0 219.328 1.933 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000000214828 183150504 /nfs/dbraw/zinc/15/05/04/183150504.db2.gz SFMPNBAKYNPUBJ-LLVKDONJSA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000000216921 183151340 /nfs/dbraw/zinc/15/13/40/183151340.db2.gz YAURVGQXKNCTQG-LBPRGKRZSA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1F ZINC000101648761 183154882 /nfs/dbraw/zinc/15/48/82/183154882.db2.gz VUSIMSUGLBODCD-OLZOCXBDSA-N 1 0 223.291 1.839 50 0 BDAARO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577733 183196744 /nfs/dbraw/zinc/19/67/44/183196744.db2.gz SKIIVUUAIXIURG-VXGBXAGGSA-N 1 0 227.254 1.968 50 0 BDAARO O[C@@]12CCC[NH2+][C@@H]1c1ccccc1CC2 ZINC000071773144 183218213 /nfs/dbraw/zinc/21/82/13/183218213.db2.gz TUNXXKUKSSFOOH-CHWSQXEVSA-N 1 0 203.285 1.788 50 0 BDAARO O[C@H](C[N@@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000002644821 183222413 /nfs/dbraw/zinc/22/24/13/183222413.db2.gz UXDSNEZYZXMQEY-CHWSQXEVSA-N 1 0 221.300 1.177 50 0 BDAARO O[C@H](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000041242403 183227907 /nfs/dbraw/zinc/22/79/07/183227907.db2.gz QEMFQKAVIRRLIK-DGCLKSJQSA-N 1 0 223.291 1.729 50 0 BDAARO O[C@@H]1Cc2ccccc2C12CC[NH2+]CC2 ZINC000060009103 183211393 /nfs/dbraw/zinc/21/13/93/183211393.db2.gz DBCKHYVIUIDGOH-GFCCVEGCSA-N 1 0 203.285 1.225 50 0 BDAARO O[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C[NH+]1CCCCC1 ZINC000019877799 183213420 /nfs/dbraw/zinc/21/34/20/183213420.db2.gz RJEAJPVKZCYCBQ-YVECIDJPSA-N 1 0 209.333 1.879 50 0 BDAARO CCCN(CCC)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000019412715 169143247 /nfs/dbraw/zinc/14/32/47/169143247.db2.gz KXNMHTGCARMCPJ-NSHDSACASA-N 1 0 212.337 1.777 50 0 BDAARO c1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)ccn1 ZINC000083071466 183333319 /nfs/dbraw/zinc/33/33/19/183333319.db2.gz JYFBAWHCSUCJEQ-SECBINFHSA-N 1 0 230.271 1.284 50 0 BDAARO c1cc(-c2noc(CC3CC[NH2+]CC3)n2)ccn1 ZINC000045893378 183331675 /nfs/dbraw/zinc/33/16/75/183331675.db2.gz DVOAACGZONUIQH-UHFFFAOYSA-N 1 0 244.298 1.674 50 0 BDAARO CCCNC(=O)C[N@@H+]1CCCC[C@H]1CC ZINC000058014310 169221406 /nfs/dbraw/zinc/22/14/06/169221406.db2.gz VVVGYHUDMNUBRF-LLVKDONJSA-N 1 0 212.337 1.777 50 0 BDAARO c1cc([C@H]2CCC[NH2+]C2)n(C2CCOCC2)n1 ZINC000096509757 183363591 /nfs/dbraw/zinc/36/35/91/183363591.db2.gz NOWPCQVPCDCQMJ-NSHDSACASA-N 1 0 235.331 1.702 50 0 BDAARO CCC[NH2+]CC(=O)Nc1ccccc1C ZINC000001671773 169255195 /nfs/dbraw/zinc/25/51/95/169255195.db2.gz PRKBTCCRGMGZOF-UHFFFAOYSA-N 1 0 206.289 1.933 50 0 BDAARO c1cc(-c2noc3c2C[NH2+]CC3)cc2c1OCO2 ZINC000004992797 183366390 /nfs/dbraw/zinc/36/63/90/183366390.db2.gz FVQMBLOOZDLYMU-UHFFFAOYSA-N 1 0 244.250 1.716 50 0 BDAARO c1cc[n+](Cc2nc3ccccc3[nH]2)cc1 ZINC000000340975 183378001 /nfs/dbraw/zinc/37/80/01/183378001.db2.gz FCDOKKUWHNEMKA-UHFFFAOYSA-N 1 0 210.260 1.899 50 0 BDAARO c1ccc(CCCO[C@H]2CC[NH2+]C2)cc1 ZINC000014632018 183391647 /nfs/dbraw/zinc/39/16/47/183391647.db2.gz CBOQLKCMPYOHGQ-ZDUSSCGKSA-N 1 0 205.301 1.998 50 0 BDAARO c1ccc(CN2CCCC23C[NH2+]C3)cc1 ZINC000044137559 183396820 /nfs/dbraw/zinc/39/68/20/183396820.db2.gz DHKBHAIOOOGEIT-UHFFFAOYSA-N 1 0 202.301 1.624 50 0 BDAARO CCCOCCOCC[C@H]1CCCC[NH2+]1 ZINC000042772132 169310035 /nfs/dbraw/zinc/31/00/35/169310035.db2.gz RVIMKOWBKYNDMI-GFCCVEGCSA-N 1 0 215.337 1.962 50 0 BDAARO CCC[C@@H](C)C[N@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000032590341 169358027 /nfs/dbraw/zinc/35/80/27/169358027.db2.gz LRHRDGXGBPGTCY-VXGBXAGGSA-N 1 0 247.404 1.932 50 0 BDAARO CC(C)(C)OC(=O)N1CC([C@H]2CCCC[NH2+]2)C1 ZINC000095913231 166645069 /nfs/dbraw/zinc/64/50/69/166645069.db2.gz CRKUYKGXHZMQDL-LLVKDONJSA-N 1 0 240.347 1.995 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000040449991 166648848 /nfs/dbraw/zinc/64/88/48/166648848.db2.gz ISIJQEHRDSCQIU-CYBMUJFWSA-N 1 0 240.347 1.997 50 0 in-vitro BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000026896577 166657897 /nfs/dbraw/zinc/65/78/97/166657897.db2.gz VMUXGMBHACBHJJ-AEJSXWLSSA-N 1 0 226.320 1.591 50 0 BDAARO C1=Cc2cccc(OC[C@@H]3C[NH2+]CCO3)c2C1 ZINC000000009710 383817933 /nfs/dbraw/zinc/81/79/33/383817933.db2.gz MADRVGBADLFHMO-LBPRGKRZSA-N 1 0 231.295 1.623 50 0 world BDAARO CC[C@@H]([NH2+]C)C(=O)c1ccc2c(c1)OCO2 ZINC000065743266 383822060 /nfs/dbraw/zinc/82/20/60/383822060.db2.gz CGKQZIULZRXRRJ-SECBINFHSA-N 1 0 221.256 1.596 50 0 in-vitro BDAARO [NH3+]Cc1cccc(I)c1 ZINC000000388032 383861978 /nfs/dbraw/zinc/86/19/78/383861978.db2.gz LQLOGZQVKUNBRX-UHFFFAOYSA-N 1 0 233.052 1.750 50 0 BDAARO CC(=O)NCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000225566701 383874059 /nfs/dbraw/zinc/87/40/59/383874059.db2.gz FMZAUAZJZOZGMX-GFCCVEGCSA-N 1 0 242.388 1.340 50 0 BDAARO C[NH+](C)CCNc1ncc(Br)cn1 ZINC000001496960 383901622 /nfs/dbraw/zinc/90/16/22/383901622.db2.gz UWJSSGLQBDGUEP-UHFFFAOYSA-N 1 0 245.124 1.213 50 0 BDAARO CCc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050243227 383985774 /nfs/dbraw/zinc/98/57/74/383985774.db2.gz IBKHXICSRPBJNB-GFCCVEGCSA-N 1 0 247.342 1.221 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000002527180 383971697 /nfs/dbraw/zinc/97/16/97/383971697.db2.gz XRRRUOWSHGFPTI-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO c1cnc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cn1 ZINC000037370107 383972899 /nfs/dbraw/zinc/97/28/99/383972899.db2.gz TZVUBATUIKZLNO-QMMMGPOBSA-N 1 0 231.259 1.341 50 0 BDAARO c1ccc2c(c1)snc2N1CC[NH2+]CC1 ZINC000002568290 383975728 /nfs/dbraw/zinc/97/57/28/383975728.db2.gz KRDOFMHJLWKXIU-UHFFFAOYSA-N 1 0 219.313 1.706 50 0 world BDAARO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1 ZINC000158573416 384019636 /nfs/dbraw/zinc/01/96/36/384019636.db2.gz QNVFOUAMZDXEEL-NHYWBVRUSA-N 1 0 225.357 1.885 50 0 BDAARO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004202916 384044531 /nfs/dbraw/zinc/04/45/31/384044531.db2.gz GDWFCUOFVSNTTG-LBPRGKRZSA-N 1 0 219.284 1.682 50 0 BDAARO C[NH+](C)CCCN1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000004342927 384056416 /nfs/dbraw/zinc/05/64/16/384056416.db2.gz XRHMZCPDNZTCHO-OLZOCXBDSA-N 1 0 238.375 1.772 50 0 BDAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cccn1C ZINC000050595824 384100843 /nfs/dbraw/zinc/10/08/43/384100843.db2.gz PQLRFRVKXVBUIQ-LLVKDONJSA-N 1 0 218.304 1.400 50 0 BDAARO [NH3+][C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000070495445 384113637 /nfs/dbraw/zinc/11/36/37/384113637.db2.gz OSFXPKWPVPCQSZ-NSHDSACASA-N 1 0 240.253 1.415 50 0 BDAARO CCC[C@H]1CN(C(=O)CCSC)C[C@@H]1[NH3+] ZINC000091625768 384136548 /nfs/dbraw/zinc/13/65/48/384136548.db2.gz LIASKMVSXLJHEO-UWVGGRQHSA-N 1 0 230.377 1.325 50 0 BDAARO CC(C)(C)c1nnc(NCC[NH+]2CCCC2)o1 ZINC000091526640 384130966 /nfs/dbraw/zinc/13/09/66/384130966.db2.gz BCQQOKFZTTVVCP-UHFFFAOYSA-N 1 0 238.335 1.875 50 0 BDAARO COC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000002391727 384156207 /nfs/dbraw/zinc/15/62/07/384156207.db2.gz SHHWLICMWCGOCF-GFCCVEGCSA-N 1 0 219.284 1.940 50 0 BDAARO C[C@@H]([NH3+])c1noc(Cc2ccccc2)n1 ZINC000041052172 384175021 /nfs/dbraw/zinc/17/50/21/384175021.db2.gz CHEZCXNPSVEFKN-MRVPVSSYSA-N 1 0 203.245 1.680 50 0 BDAARO CCO[C@@H]1CCC[N@H+](CCOC(=O)N(C)C)C1 ZINC000097373621 384175573 /nfs/dbraw/zinc/17/55/73/384175573.db2.gz AEIYACVPVXLORB-LLVKDONJSA-N 1 0 244.335 1.186 50 0 BDAARO CCCC[N@H+](CCSCC)CC(N)=O ZINC000071913986 384177876 /nfs/dbraw/zinc/17/78/76/384177876.db2.gz OGRVHDDIIQVNSN-UHFFFAOYSA-N 1 0 218.366 1.327 50 0 BDAARO CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000071805248 384181500 /nfs/dbraw/zinc/18/15/00/384181500.db2.gz CSPVADJKOUWDHR-LBPRGKRZSA-N 1 0 232.327 1.912 50 0 BDAARO [NH3+]C[C@@]1(F)CCCN(Cc2ccccc2)C1 ZINC000072267029 384204828 /nfs/dbraw/zinc/20/48/28/384204828.db2.gz RCHUWSZENOUOPP-ZDUSSCGKSA-N 1 0 222.307 1.949 50 0 BDAARO c1nc2ncccc2n1C1CC[NH2+]CC1 ZINC000072190681 384197777 /nfs/dbraw/zinc/19/77/77/384197777.db2.gz CBMUPYPPUNTJKJ-UHFFFAOYSA-N 1 0 202.261 1.356 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC2)C1 ZINC000072194490 384199412 /nfs/dbraw/zinc/19/94/12/384199412.db2.gz KYEGQEQHIFRJSY-SNVBAGLBSA-N 1 0 226.320 1.748 50 0 BDAARO CN1CCC[C@@H]1C[N@H+](C)C1CCSCC1 ZINC000032540668 384237448 /nfs/dbraw/zinc/23/74/48/384237448.db2.gz AJSBBTJNIGSNFN-GFCCVEGCSA-N 1 0 228.405 1.908 50 0 BDAARO O=C1Nc2ccccc2NC12CC[NH2+]CC2 ZINC000042383920 384216046 /nfs/dbraw/zinc/21/60/46/384216046.db2.gz LBMJLMGXMFEOAE-UHFFFAOYSA-N 1 0 217.272 1.173 50 0 BDAARO COC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042782864 384243094 /nfs/dbraw/zinc/24/30/94/384243094.db2.gz RVVAGWAATWTKFD-LLVKDONJSA-N 1 0 221.256 1.214 50 0 BDAARO [NH3+]Cc1ccc(-c2nn3cnnc3s2)cc1 ZINC000009948944 384265868 /nfs/dbraw/zinc/26/58/68/384265868.db2.gz ROAWKLBCMIFWDC-UHFFFAOYSA-N 1 0 231.284 1.312 50 0 BDAARO Cc1nnc(SC[C@H]2CCC[NH2+]2)s1 ZINC000043497419 384278444 /nfs/dbraw/zinc/27/84/44/384278444.db2.gz VOIXZQSLLLGXGW-SSDOTTSWSA-N 1 0 215.347 1.691 50 0 BDAARO C[NH+](C)CCNc1cc(=O)oc2ccccc12 ZINC000010313683 384272974 /nfs/dbraw/zinc/27/29/74/384272974.db2.gz FMYNBVXHBZJBMR-UHFFFAOYSA-N 1 0 232.283 1.767 50 0 BDAARO C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000044138882 384315584 /nfs/dbraw/zinc/31/55/84/384315584.db2.gz VKVGAVMRFMGWMB-RXMQYKEDSA-N 1 0 201.067 1.864 50 0 BDAARO Fc1ccccc1[C@@H]1NCC[C@H]2[NH+]=CN[C@H]21 ZINC000012375429 384317033 /nfs/dbraw/zinc/31/70/33/384317033.db2.gz CUGLGYBRHHCWRK-GRYCIOLGSA-N 1 0 219.263 1.229 50 0 BDAARO [NH3+]Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000011851127 384299038 /nfs/dbraw/zinc/29/90/38/384299038.db2.gz FROXYDQDKDAPOK-UHFFFAOYSA-N 1 0 207.664 1.984 50 0 BDAARO CC(=O)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC000013562953 384366852 /nfs/dbraw/zinc/36/68/52/384366852.db2.gz RXVSUBLAOUYTDJ-UHFFFAOYSA-N 1 0 236.290 1.541 50 0 BDAARO [NH3+]CCc1nc2c(c(C(F)(F)F)n1)CCCC2 ZINC000044373133 384327250 /nfs/dbraw/zinc/32/72/50/384327250.db2.gz NXPBYKOZDURIJC-UHFFFAOYSA-N 1 0 245.248 1.875 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C[NH3+])C1 ZINC000095742851 384392444 /nfs/dbraw/zinc/39/24/44/384392444.db2.gz LWGUJVHTMSGIMN-BXKDBHETSA-N 1 0 226.320 1.592 50 0 BDAARO CC(C)(C)OC(=O)NCC12CC(C1)CC[NH2+]2 ZINC000095742969 384392887 /nfs/dbraw/zinc/39/28/87/384392887.db2.gz GHVNTNNVOUVBBI-UHFFFAOYSA-N 1 0 226.320 1.653 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H](F)C1 ZINC000095743475 384393141 /nfs/dbraw/zinc/39/31/41/384393141.db2.gz ACHGEWOGBWGEEL-JGVFFNPUSA-N 1 0 218.272 1.211 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC[C@@H]1F ZINC000095742817 384393665 /nfs/dbraw/zinc/39/36/65/384393665.db2.gz PHKRFWRGEVHCAT-JGVFFNPUSA-N 1 0 218.272 1.211 50 0 BDAARO COCCc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000014632290 384399496 /nfs/dbraw/zinc/39/94/96/384399496.db2.gz DDWDKHMNQHMXBN-ZDUSSCGKSA-N 1 0 221.300 1.616 50 0 BDAARO Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237764426 384376739 /nfs/dbraw/zinc/37/67/39/384376739.db2.gz GMJVSIKOAARPTF-SNVBAGLBSA-N 1 0 244.294 1.914 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cccn1C ZINC000097139284 384379566 /nfs/dbraw/zinc/37/95/66/384379566.db2.gz MRDXGUAKUHICCX-CQSZACIVSA-N 1 0 235.375 1.797 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H]([NH3+])C1 ZINC000095616551 384382447 /nfs/dbraw/zinc/38/24/47/384382447.db2.gz CVHJEFDRBTZVEL-JGVFFNPUSA-N 1 0 218.272 1.293 50 0 BDAARO C[NH2+][C@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000014129177 384388479 /nfs/dbraw/zinc/38/84/79/384388479.db2.gz DKOIWNZNYNFDRM-LBPRGKRZSA-N 1 0 245.282 1.882 50 0 BDAARO CC(C)(C)OC(=O)N[C@]1(C)CCC[NH2+]C1 ZINC000095707432 384390985 /nfs/dbraw/zinc/39/09/85/384390985.db2.gz IKLFTJQKKCELGD-LLVKDONJSA-N 1 0 214.309 1.653 50 0 BDAARO Cc1cc(N)cc(N2CC[NH+](C)CC2)c1 ZINC000096300575 384449658 /nfs/dbraw/zinc/44/96/58/384449658.db2.gz XIERJLBHGFQXGF-UHFFFAOYSA-N 1 0 205.305 1.329 50 0 BDAARO C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)C1CC1 ZINC000097228951 384450761 /nfs/dbraw/zinc/45/07/61/384450761.db2.gz UBKNSRYAFRWGFS-SNVBAGLBSA-N 1 0 244.338 1.397 50 0 BDAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000016662671 384464735 /nfs/dbraw/zinc/46/47/35/384464735.db2.gz SEBUMBSDMFVPMT-CYBMUJFWSA-N 1 0 249.310 1.430 50 0 BDAARO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1)C(N)=O ZINC000249101964 384468418 /nfs/dbraw/zinc/46/84/18/384468418.db2.gz WLXOWWFKSBCFJX-UBHSHLNASA-N 1 0 246.354 1.861 50 0 BDAARO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc(C)n1 ZINC000097099453 384497139 /nfs/dbraw/zinc/49/71/39/384497139.db2.gz LSLAINSDYBAEMF-CYBMUJFWSA-N 1 0 247.342 1.475 50 0 BDAARO Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000019274115 384515058 /nfs/dbraw/zinc/51/50/58/384515058.db2.gz RVYBKQUWHFMRGB-UHFFFAOYSA-N 1 0 232.327 1.724 50 0 BDAARO [NH3+]C[C@H](c1ccccc1F)N1CCOCC1 ZINC000019282445 384516797 /nfs/dbraw/zinc/51/67/97/384516797.db2.gz GOYHVBHGFOQIQB-GFCCVEGCSA-N 1 0 224.279 1.158 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000019390533 384520508 /nfs/dbraw/zinc/52/05/08/384520508.db2.gz LKLSRQNEJKQAJZ-MRVPVSSYSA-N 1 0 233.233 1.815 50 0 BDAARO CC(C)([NH3+])C(=O)N1CCc2ccccc21 ZINC000019672526 384531599 /nfs/dbraw/zinc/53/15/99/384531599.db2.gz YYOFWOLIEHVTCV-UHFFFAOYSA-N 1 0 204.273 1.313 50 0 BDAARO C[C@]1(C(=O)NC2CCCC2)CCC[NH2+]C1 ZINC000019686442 384531969 /nfs/dbraw/zinc/53/19/69/384531969.db2.gz RQNBZRVWKKNHGV-LBPRGKRZSA-N 1 0 210.321 1.435 50 0 BDAARO [NH3+]C[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000019669368 384532564 /nfs/dbraw/zinc/53/25/64/384532564.db2.gz YMCDGSOVLJAQPW-LBPRGKRZSA-N 1 0 218.300 1.036 50 0 BDAARO O=C(CC1CCCCC1)NC1CC[NH2+]CC1 ZINC000020251793 384603214 /nfs/dbraw/zinc/60/32/14/384603214.db2.gz RURIWCJAPPZGCZ-UHFFFAOYSA-N 1 0 224.348 1.825 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(CC([NH3+])C2)C1 ZINC000050183965 384604373 /nfs/dbraw/zinc/60/43/73/384604373.db2.gz WJDUCDSPGKNBBW-UHFFFAOYSA-N 1 0 212.293 1.345 50 0 BDAARO NNc1ccc(-c2ccccc2F)n[nH+]1 ZINC000050194209 384606379 /nfs/dbraw/zinc/60/63/79/384606379.db2.gz JXDVXDVLVQOYLX-UHFFFAOYSA-N 1 0 204.208 1.568 50 0 BDAARO CN(C)CC[NH2+]CCCOc1ccccc1 ZINC000020418901 384617344 /nfs/dbraw/zinc/61/73/44/384617344.db2.gz QSOMBQDKMANQNB-UHFFFAOYSA-N 1 0 222.332 1.607 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000061416338 384623817 /nfs/dbraw/zinc/62/38/17/384623817.db2.gz AVOMYOZGTLVSOA-GFCCVEGCSA-N 1 0 241.294 1.408 50 0 BDAARO Cc1ccc(C[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000051581368 384672361 /nfs/dbraw/zinc/67/23/61/384672361.db2.gz JBPMLIRZXQJDRX-LLVKDONJSA-N 1 0 221.300 1.869 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC12CC2 ZINC000082359803 384674544 /nfs/dbraw/zinc/67/45/44/384674544.db2.gz WQGYWNKRILAFJG-SECBINFHSA-N 1 0 226.320 1.653 50 0 BDAARO CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000095452822 384660030 /nfs/dbraw/zinc/66/00/30/384660030.db2.gz SDPSGVJOTFDWEW-WDEREUQCSA-N 1 0 225.336 1.132 50 0 BDAARO Cc1nc(NCc2ccccc2)nc(NN)[nH+]1 ZINC000000246510 384661545 /nfs/dbraw/zinc/66/15/45/384661545.db2.gz YAOKCXGYFUKHBL-UHFFFAOYSA-N 1 0 230.275 1.078 50 0 BDAARO c1ccc(CCCCN2CC[NH2+]CC2)cc1 ZINC000022029050 384724325 /nfs/dbraw/zinc/72/43/25/384724325.db2.gz OHFQSNUBVNIZRV-UHFFFAOYSA-N 1 0 218.344 1.915 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@](C)([NH3+])C1 ZINC000102237489 384701760 /nfs/dbraw/zinc/70/17/60/384701760.db2.gz IDZXBLNHGNNOSO-WKFQBHICSA-N 1 0 200.282 1.391 50 0 BDAARO CC(C)(C)OC(=O)N[C@@]1(C)C[C@H]([NH3+])C1 ZINC000102237496 384702437 /nfs/dbraw/zinc/70/24/37/384702437.db2.gz GBSIQLWXIWQGFC-WKFQBHICSA-N 1 0 200.282 1.391 50 0 BDAARO [NH3+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000021953765 384708345 /nfs/dbraw/zinc/70/83/45/384708345.db2.gz SIONSKXCPDFBFA-LBPRGKRZSA-N 1 0 207.273 1.703 50 0 BDAARO CC(C)(C)NC(=[NH2+])NCc1cccnc1 ZINC000052041469 384709538 /nfs/dbraw/zinc/70/95/38/384709538.db2.gz YLABTXOIIGWDOW-UHFFFAOYSA-N 1 0 206.293 1.494 50 0 BDAARO C[C@@H](CNc1ccccn1)N1CC[NH+](C)CC1 ZINC000078988190 384714566 /nfs/dbraw/zinc/71/45/66/384714566.db2.gz PILLCBYAQKNNBK-LBPRGKRZSA-N 1 0 234.347 1.129 50 0 BDAARO C[C@@H]([NH2+]CCc1nnc[nH]1)c1ccc(F)cc1 ZINC000080576450 384730274 /nfs/dbraw/zinc/73/02/74/384730274.db2.gz XQDCEYVIUMCPOV-SECBINFHSA-N 1 0 234.278 1.837 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000083050240 384738617 /nfs/dbraw/zinc/73/86/17/384738617.db2.gz WWVFPVXAOTXXOG-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO c1cnc2c(c1)cccc2CN1CC[NH2+]CC1 ZINC000022921455 384779859 /nfs/dbraw/zinc/77/98/59/384779859.db2.gz YSSWAYHCOQPTIK-UHFFFAOYSA-N 1 0 227.311 1.640 50 0 BDAARO CC(C)c1csc(NC(=O)C2([NH3+])CC2)n1 ZINC000083835528 384755646 /nfs/dbraw/zinc/75/56/46/384755646.db2.gz IGMDSVRXQJARIB-UHFFFAOYSA-N 1 0 225.317 1.696 50 0 BDAARO Cc1ccc(O)c(C[NH2+]CCN2CCCCC2)n1 ZINC000103341731 384763274 /nfs/dbraw/zinc/76/32/74/384763274.db2.gz PBTVFWVZRFFZHN-UHFFFAOYSA-N 1 0 249.358 1.671 50 0 BDAARO [NH3+]CCc1nc(Br)c2ccccn21 ZINC000083253538 384770302 /nfs/dbraw/zinc/77/03/02/384770302.db2.gz URGAIJBYPZFYNL-UHFFFAOYSA-N 1 0 240.104 1.598 50 0 BDAARO O=c1cc(C[NH+]2CCCCCC2)occ1O ZINC000072220565 384829295 /nfs/dbraw/zinc/82/92/95/384829295.db2.gz LDPHQZFDFWJNGY-UHFFFAOYSA-N 1 0 223.272 1.721 50 0 biogenic BDAARO CCOc1cc([C@H]([NH3+])CO)ccc1OC ZINC000072198134 384812809 /nfs/dbraw/zinc/81/28/09/384812809.db2.gz HAYDEVYSDHZRMI-SECBINFHSA-N 1 0 211.261 1.086 50 0 BDAARO CC(C)(C)OC(=O)[C@H](N)Cc1ccccc1 ZINC000055343129 384880984 /nfs/dbraw/zinc/88/09/84/384880984.db2.gz QOISWWBTZMFUEL-LLVKDONJSA-N 1 0 221.300 1.898 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2([NH3+])C[C@@H]2C1 ZINC000084239271 384852939 /nfs/dbraw/zinc/85/29/39/384852939.db2.gz PKPGACTWHRGJHO-KCJUWKMLSA-N 1 0 212.293 1.345 50 0 BDAARO [NH3+]CCc1c[nH]c2cc3c(cc12)OCCO3 ZINC000005749236 384949653 /nfs/dbraw/zinc/94/96/53/384949653.db2.gz KFSCFMCNWBQCDE-UHFFFAOYSA-N 1 0 218.256 1.440 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]CC[C@H]21 ZINC000057219110 384934562 /nfs/dbraw/zinc/93/45/62/384934562.db2.gz WWQRKRDWYBRFAA-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO CC(=O)N1CCC([N@H+](C)Cc2ccccn2)CC1 ZINC000085347955 384938236 /nfs/dbraw/zinc/93/82/36/384938236.db2.gz PFOQXGJSGSMVHM-UHFFFAOYSA-N 1 0 247.342 1.524 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000070173041 384980260 /nfs/dbraw/zinc/98/02/60/384980260.db2.gz JPZAPTUPEPHPFP-VHSXEESVSA-N 1 0 237.303 1.182 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000070392877 384992714 /nfs/dbraw/zinc/99/27/14/384992714.db2.gz AJWRAPQZIRBHQJ-PWSUYJOCSA-N 1 0 246.310 1.112 50 0 BDAARO CC(C)CS(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000058260845 384992909 /nfs/dbraw/zinc/99/29/09/384992909.db2.gz LNYZXJOPTJCREK-LLVKDONJSA-N 1 0 233.377 1.589 50 0 BDAARO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccs1 ZINC000062112856 385064424 /nfs/dbraw/zinc/06/44/24/385064424.db2.gz IIIDQJRRLDCYLA-BDAKNGLRSA-N 1 0 224.329 1.535 50 0 BDAARO O=C([O-])CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062032333 385031285 /nfs/dbraw/zinc/03/12/85/385031285.db2.gz MVFHZDCHRVLCSY-UHFFFAOYSA-N 1 0 240.347 1.269 50 0 BDAARO CC[C@@H](O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000096502733 385234061 /nfs/dbraw/zinc/23/40/61/385234061.db2.gz AIIIIAIJRGKZPA-OUAUKWLOSA-N 1 0 201.310 1.305 50 0 BDAARO c1nncn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065386971 385303057 /nfs/dbraw/zinc/30/30/57/385303057.db2.gz ZNUMSTKZPOBPNQ-AWEZNQCLSA-N 1 0 242.326 1.800 50 0 BDAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000041579918 385312915 /nfs/dbraw/zinc/31/29/15/385312915.db2.gz MIDHUCAZYJONRD-SNVBAGLBSA-N 1 0 210.277 1.248 50 0 BDAARO Nc1cc[nH+]cc1-n1ccc(-c2cnccn2)n1 ZINC000065460679 385315709 /nfs/dbraw/zinc/31/57/09/385315709.db2.gz SVNNRFNCFUBCNO-UHFFFAOYSA-N 1 0 238.254 1.307 50 0 BDAARO CCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000019537561 385269451 /nfs/dbraw/zinc/26/94/51/385269451.db2.gz BBNBYFMJDSRXQL-UHFFFAOYSA-N 1 0 218.344 1.996 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000137467204 385288808 /nfs/dbraw/zinc/28/88/08/385288808.db2.gz UWYCJCVDFUZWBS-NSHDSACASA-N 1 0 245.257 1.545 50 0 BDAARO c1ccc(CNCC[NH+]2CCCC2)nc1 ZINC000020127003 385419838 /nfs/dbraw/zinc/41/98/38/385419838.db2.gz IYWXWVPJOGFZQV-UHFFFAOYSA-N 1 0 205.305 1.267 50 0 BDAARO c1c2cccnc2[nH]c1[C@H]1C[NH2+]CCO1 ZINC000019686703 385514925 /nfs/dbraw/zinc/51/49/25/385514925.db2.gz OSIZYSXZNDMXDX-SNVBAGLBSA-N 1 0 203.245 1.224 50 0 BDAARO Cc1ccc(Nc2cc[nH+]c(NN)n2)cc1 ZINC000051353985 385591482 /nfs/dbraw/zinc/59/14/82/385591482.db2.gz KEFCLOVAFPEWRE-UHFFFAOYSA-N 1 0 215.260 1.814 50 0 BDAARO Fc1ccc(C[NH2+][C@@H]2CCSC2)nc1 ZINC000307708967 385787225 /nfs/dbraw/zinc/78/72/25/385787225.db2.gz KUTLUGZKDNDKEJ-SNVBAGLBSA-N 1 0 212.293 1.816 50 0 BDAARO CCOc1cccc2[nH+]c(N)nc(N)c21 ZINC000001023827 385727334 /nfs/dbraw/zinc/72/73/34/385727334.db2.gz LRWVBCREDYTZPL-UHFFFAOYSA-N 1 0 204.233 1.193 50 0 BDAARO CC(C)n1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cn1 ZINC000215543450 385845718 /nfs/dbraw/zinc/84/57/18/385845718.db2.gz NMKUDYIXAATGHG-UONOGXRCSA-N 1 0 248.374 1.600 50 0 BDAARO CN(C[C@@H]1CCCOC1)C(=O)c1c[nH+]ccc1N ZINC000127825695 385918319 /nfs/dbraw/zinc/91/83/19/385918319.db2.gz DCJGXTBUQPDPDI-JTQLQIEISA-N 1 0 249.314 1.162 50 0 BDAARO [NH3+][C@@H](CC1CCCCC1)[C@@H]1COCCO1 ZINC000161496026 385975871 /nfs/dbraw/zinc/97/58/71/385975871.db2.gz WRUSSQDCGCXMEA-RYUDHWBXSA-N 1 0 213.321 1.700 50 0 BDAARO Cc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)c(C)n1 ZINC000336726922 385942766 /nfs/dbraw/zinc/94/27/66/385942766.db2.gz VPOGSZGSGVBMSL-MRVPVSSYSA-N 1 0 243.257 1.619 50 0 BDAARO CCOCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414072350 385948042 /nfs/dbraw/zinc/94/80/42/385948042.db2.gz MKHSOIZRWLGIEN-JTQLQIEISA-N 1 0 223.320 1.516 50 0 BDAARO C=CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000521396816 386005582 /nfs/dbraw/zinc/00/55/82/386005582.db2.gz MUYBHWSCSGQFBA-GHMZBOCLSA-N 1 0 210.321 1.409 50 0 BDAARO C([C@H]1CCC[N@@H+]1C[C@H]1CCOC1)N1CCCC1 ZINC000222059528 386032381 /nfs/dbraw/zinc/03/23/81/386032381.db2.gz AKKCFUTZPKSJLU-ZIAGYGMSSA-N 1 0 238.375 1.583 50 0 BDAARO c1csc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000263625101 386158712 /nfs/dbraw/zinc/15/87/12/386158712.db2.gz WSZMESVHFZZJOG-AYMMMOKOSA-N 1 0 210.302 1.805 50 0 BDAARO CC/C=C(/C)C(=O)NCC[NH+]1CCCCC1 ZINC000040534254 386216754 /nfs/dbraw/zinc/21/67/54/386216754.db2.gz HVDIVLFYCBPKFU-GHXNOFRVSA-N 1 0 224.348 1.945 50 0 BDAARO CC[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000063002048 386223092 /nfs/dbraw/zinc/22/30/92/386223092.db2.gz FDDWEIUVRCULNY-NWDGAFQWSA-N 1 0 209.289 1.081 50 0 BDAARO CCS[C@H]1CC[C@@H](N(C)C(=O)CCC[NH3+])C1 ZINC000236911422 386326111 /nfs/dbraw/zinc/32/61/11/386326111.db2.gz BHIQIJVMILVXAA-MNOVXSKESA-N 1 0 244.404 1.858 50 0 BDAARO C[NH+](C)C1(CNC(=O)c2ccccn2)CCCC1 ZINC000046707950 386709187 /nfs/dbraw/zinc/70/91/87/386709187.db2.gz SRIGUQKAFKRUEO-UHFFFAOYSA-N 1 0 247.342 1.686 50 0 BDAARO COCc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000125804147 386915320 /nfs/dbraw/zinc/91/53/20/386915320.db2.gz IXDVUAQEEGJVHO-NSHDSACASA-N 1 0 248.326 1.267 50 0 BDAARO c1cc(O[C@@H]2CC[NH2+]C2)ncc1C1CC1 ZINC000536952016 387163683 /nfs/dbraw/zinc/16/36/83/387163683.db2.gz ATJXACAUPYOEBV-LLVKDONJSA-N 1 0 204.273 1.700 50 0 BDAARO CC[NH+](CC)CC(=O)N1CCS[C@@H](C)CC1 ZINC000191935902 387230331 /nfs/dbraw/zinc/23/03/31/387230331.db2.gz LWNQAYFSSCVQPR-NSHDSACASA-N 1 0 244.404 1.682 50 0 BDAARO Cc1cc(C)c(C[NH2+][C@H](C)CC(N)=O)c(C)c1 ZINC000089568736 387355082 /nfs/dbraw/zinc/35/50/82/387355082.db2.gz WPTKQKCFERXFCE-GFCCVEGCSA-N 1 0 234.343 1.965 50 0 BDAARO C[NH+]1CCC(CNC(=O)NC2CCCC2)CC1 ZINC000074904827 387381344 /nfs/dbraw/zinc/38/13/44/387381344.db2.gz RVMVUJOHMZLXQK-UHFFFAOYSA-N 1 0 239.363 1.570 50 0 BDAARO C[S@@](=O)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000085322955 387453692 /nfs/dbraw/zinc/45/36/92/387453692.db2.gz UZGBITXRKXRAJZ-INIZCTEOSA-N 1 0 241.356 1.285 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC2 ZINC000036871235 387407007 /nfs/dbraw/zinc/40/70/07/387407007.db2.gz NHNQITOPKGVSRI-GFCCVEGCSA-N 1 0 218.300 1.851 50 0 BDAARO Cc1ccc(NC(=O)C2([NH3+])CCCC2)c(=O)[nH]1 ZINC000423773206 387420928 /nfs/dbraw/zinc/42/09/28/387420928.db2.gz MMORRAMUPGUJPA-UHFFFAOYSA-N 1 0 235.287 1.306 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C[C@@H]1C[C@H]1C)C(C)C ZINC000118967858 387475594 /nfs/dbraw/zinc/47/55/94/387475594.db2.gz INTCXZSOEZECBY-VWYCJHECSA-N 1 0 212.337 1.617 50 0 BDAARO CCN(CCOCCO)c1cc[nH+]c(C)c1 ZINC000252490724 387487056 /nfs/dbraw/zinc/48/70/56/387487056.db2.gz KZRGPNKIOADPOI-UHFFFAOYSA-N 1 0 224.304 1.225 50 0 BDAARO CCCCc1nc(CN2CC[C@H]3C[NH2+]C[C@H]32)c[nH]1 ZINC000426405432 387564403 /nfs/dbraw/zinc/56/44/03/387564403.db2.gz BILOBXKVYFUPKZ-WCQYABFASA-N 1 0 248.374 1.546 50 0 BDAARO C[S@](=O)CC[NH2+]Cc1cccc(Cl)c1 ZINC000089493112 387638937 /nfs/dbraw/zinc/63/89/37/387638937.db2.gz FQYPCWYTHXUQIZ-CQSZACIVSA-N 1 0 231.748 1.808 50 0 BDAARO CSCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000002498690 387708796 /nfs/dbraw/zinc/70/87/96/387708796.db2.gz LODKTUNSGTYABZ-JTQLQIEISA-N 1 0 203.351 1.444 50 0 BDAARO COC(=O)c1ccc2c(c1)[C@@H]([NH3+])CCC2 ZINC000039085476 387847355 /nfs/dbraw/zinc/84/73/55/387847355.db2.gz SJXJNEAOJHBQIZ-NSHDSACASA-N 1 0 205.257 1.809 50 0 BDAARO CC1(C)C[C@H]([NH2+]CCc2nnc[nH]2)C(C)(C)O1 ZINC000094424531 387852242 /nfs/dbraw/zinc/85/22/42/387852242.db2.gz BMLLGIWYOPYZHW-VIFPVBQESA-N 1 0 238.335 1.283 50 0 BDAARO C[C@H](CNC(=O)Nc1nccs1)[NH+](C)C ZINC000065443712 387930776 /nfs/dbraw/zinc/93/07/76/387930776.db2.gz VPNNSEAFENAVAO-SSDOTTSWSA-N 1 0 228.321 1.215 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224283367 387939165 /nfs/dbraw/zinc/93/91/65/387939165.db2.gz XMHIECMZJPJPCQ-ZYHUDNBSSA-N 1 0 218.300 1.350 50 0 BDAARO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)c(C)c1 ZINC000105472664 387990977 /nfs/dbraw/zinc/99/09/77/387990977.db2.gz AACGGERZZDRTLZ-OAHLLOKOSA-N 1 0 248.370 1.724 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000082370857 388032854 /nfs/dbraw/zinc/03/28/54/388032854.db2.gz IDQDGCULZZTIBP-BDAKNGLRSA-N 1 0 214.309 1.591 50 0 BDAARO COC[C@H](C)NC(=O)C[NH+]1CCCCCCC1 ZINC000065550939 388085094 /nfs/dbraw/zinc/08/50/94/388085094.db2.gz GQWLFRZVZWTZOZ-LBPRGKRZSA-N 1 0 242.363 1.404 50 0 BDAARO CN1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631467 388092962 /nfs/dbraw/zinc/09/29/62/388092962.db2.gz PRBOWUVBAUMWGV-XQQFMLRXSA-N 1 0 238.375 1.484 50 0 BDAARO CC[C@@H](CNC(=O)c1ccoc1)[NH+]1CCCC1 ZINC000042498812 388094998 /nfs/dbraw/zinc/09/49/98/388094998.db2.gz NPNZUZVIGFUEFK-LBPRGKRZSA-N 1 0 236.315 1.884 50 0 BDAARO CCC[C@@](C)(CO)[NH2+]Cc1nccn1C ZINC000164161255 388163144 /nfs/dbraw/zinc/16/31/44/388163144.db2.gz FVQNTWUJHDRYIX-NSHDSACASA-N 1 0 211.309 1.061 50 0 BDAARO Cc1ccc(C2CC([NH2+]C3(C(N)=O)CC3)C2)cc1 ZINC000170079527 388257776 /nfs/dbraw/zinc/25/77/76/388257776.db2.gz BCZGTMWETHVPEP-UHFFFAOYSA-N 1 0 244.338 1.849 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000170598368 388240201 /nfs/dbraw/zinc/24/02/01/388240201.db2.gz GWRPHVZPFJVKQR-MWLCHTKSSA-N 1 0 210.321 1.195 50 0 BDAARO COC(=O)CCC[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000230273493 388364658 /nfs/dbraw/zinc/36/46/58/388364658.db2.gz NILSVCQPCRAESR-GFCCVEGCSA-N 1 0 229.320 1.441 50 0 BDAARO C[NH+]1CCC(NC(=O)Nc2cccnc2)CC1 ZINC000057770112 388368619 /nfs/dbraw/zinc/36/86/19/388368619.db2.gz VNASGDJJBOGYGR-UHFFFAOYSA-N 1 0 234.303 1.297 50 0 BDAARO COC(=O)C[C@@H]1CSCC[N@@H+]1CC=C(C)C ZINC000089914122 388372556 /nfs/dbraw/zinc/37/25/56/388372556.db2.gz AMYRDBHCSHSKHK-LLVKDONJSA-N 1 0 243.372 1.933 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000076147292 388380357 /nfs/dbraw/zinc/38/03/57/388380357.db2.gz CDPMAKQXGFJHBI-MXWKQRLJSA-N 1 0 233.377 1.210 50 0 BDAARO CN(Cc1ccccn1)C(=O)C1([NH3+])CCCC1 ZINC000037616156 388468239 /nfs/dbraw/zinc/46/82/39/388468239.db2.gz AAIFMXDGKOLJKB-UHFFFAOYSA-N 1 0 233.315 1.312 50 0 BDAARO c1nnc(CC2CC[NH2+]CC2)n1-c1cccnc1 ZINC000067973824 388408195 /nfs/dbraw/zinc/40/81/95/388408195.db2.gz QVNNLVFKJKWVMZ-UHFFFAOYSA-N 1 0 243.314 1.204 50 0 BDAARO COC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000069054038 388412945 /nfs/dbraw/zinc/41/29/45/388412945.db2.gz XPQVLDFQGLIDLT-MNOVXSKESA-N 1 0 241.306 1.826 50 0 BDAARO O=C(CCc1ccsc1)N[C@@H]1CCC[NH2+]C1 ZINC000195542720 388479196 /nfs/dbraw/zinc/47/91/96/388479196.db2.gz DATAXEKJGPBYJM-LLVKDONJSA-N 1 0 238.356 1.549 50 0 BDAARO Cc1noc(C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000040489566 388417962 /nfs/dbraw/zinc/41/79/62/388417962.db2.gz NUKMPXYUTGEZSZ-IUCAKERBSA-N 1 0 209.293 1.856 50 0 BDAARO CC/C=C(/C)C(=O)NCCC[NH+]1CCCC1 ZINC000040505156 388419566 /nfs/dbraw/zinc/41/95/66/388419566.db2.gz FYRBLQSTMJCOSN-GHXNOFRVSA-N 1 0 224.348 1.945 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000069725029 388425298 /nfs/dbraw/zinc/42/52/98/388425298.db2.gz CCJYTKVPKZHXNW-YUMQZZPRSA-N 1 0 238.253 1.525 50 0 BDAARO CC[NH+](CC)CCN[C@@H](C)c1nccn1C ZINC000070007285 388432657 /nfs/dbraw/zinc/43/26/57/388432657.db2.gz RRBATYMWHDVFTG-NSHDSACASA-N 1 0 224.352 1.413 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[nH]n1 ZINC000070378887 388435663 /nfs/dbraw/zinc/43/56/63/388435663.db2.gz KEDKFWVWTBEAIX-MWLCHTKSSA-N 1 0 236.319 1.060 50 0 BDAARO CC[C@@H]([NH2+]C[C@@H](O)CC)c1c(C)nn(C)c1C ZINC000195561168 388484659 /nfs/dbraw/zinc/48/46/59/388484659.db2.gz CXEJJYGMPCNZAE-NWDGAFQWSA-N 1 0 239.363 1.849 50 0 BDAARO C[NH+](C)CCN/C=C1\c2ccccc2NC1=O ZINC000002291922 388593502 /nfs/dbraw/zinc/59/35/02/388593502.db2.gz HTOXOHOWVUKGKB-PKNBQFBNSA-N 1 0 231.299 1.131 50 0 BDAARO Cn1cncc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000237943301 388595590 /nfs/dbraw/zinc/59/55/90/388595590.db2.gz YIXCPQXSZHBULW-LBPRGKRZSA-N 1 0 243.310 1.513 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(F)ccc1F ZINC000107915063 388608711 /nfs/dbraw/zinc/60/87/11/388608711.db2.gz WJQGYJZVGZYCOZ-VIFPVBQESA-N 1 0 240.253 1.528 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCOC1 ZINC000037738667 388610169 /nfs/dbraw/zinc/61/01/69/388610169.db2.gz ANHFXPDOGDIGFY-SNVBAGLBSA-N 1 0 209.293 1.153 50 0 BDAARO Cc1cc(C)c(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)o1 ZINC000237488808 256860793 /nfs/dbraw/zinc/86/07/93/256860793.db2.gz YFKPPSJVVDEMGF-KOLCDFICSA-N 1 0 236.315 1.848 50 0 BDAARO COC[C@H](O)CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000108477129 388623865 /nfs/dbraw/zinc/62/38/65/388623865.db2.gz DYPQZHXMTADLTL-UMSGYPCISA-N 1 0 229.364 1.798 50 0 BDAARO c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000147226295 388684833 /nfs/dbraw/zinc/68/48/33/388684833.db2.gz YKUAUELLNOWIHE-CYBMUJFWSA-N 1 0 204.317 1.918 50 0 BDAARO C[NH+](C)C[C@@H]1CN(CCCCCF)CCO1 ZINC000225466221 388709715 /nfs/dbraw/zinc/70/97/15/388709715.db2.gz SUCAPKHJVSLZGO-GFCCVEGCSA-N 1 0 232.343 1.389 50 0 BDAARO C([NH2+]C[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000082581109 388728185 /nfs/dbraw/zinc/72/81/85/388728185.db2.gz JPJAMCKGFKLNLO-TXEJJXNPSA-N 1 0 213.321 1.429 50 0 BDAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cncs1 ZINC000095979778 388799486 /nfs/dbraw/zinc/79/94/86/388799486.db2.gz VCNNJHVTGQWKIG-LPEHRKFASA-N 1 0 224.329 1.731 50 0 BDAARO Cc1ccc(C)c(CC(=O)NC[C@H]([NH3+])C2CC2)c1 ZINC000095394022 388765593 /nfs/dbraw/zinc/76/55/93/388765593.db2.gz VSVILRGEMYIGAZ-AWEZNQCLSA-N 1 0 246.354 1.699 50 0 BDAARO Cc1ccc(C[NH2+][C@@H](C)CN2CCOC2=O)nc1 ZINC000095416708 388767789 /nfs/dbraw/zinc/76/77/89/388767789.db2.gz OAOQSZYTKRLWAH-NSHDSACASA-N 1 0 249.314 1.320 50 0 BDAARO CC[NH+](CC)CCN1CC[C@H](C)[C@H](O)C1 ZINC000096499949 388821264 /nfs/dbraw/zinc/82/12/64/388821264.db2.gz AOHAWZLYDISOEL-NWDGAFQWSA-N 1 0 214.353 1.031 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000157332987 388832097 /nfs/dbraw/zinc/83/20/97/388832097.db2.gz NSRDIFZCOPXXFO-WCQYABFASA-N 1 0 222.332 1.683 50 0 BDAARO C[C@@H](CNC(=O)C1CCC1)C[NH+]1CCCC1 ZINC000055538807 388840865 /nfs/dbraw/zinc/84/08/65/388840865.db2.gz DPNKDPHGLDHYRF-NSHDSACASA-N 1 0 224.348 1.635 50 0 BDAARO CC(C)n1cc(C[NH2+][C@H](CO)C(C)(C)C)cn1 ZINC000194638625 388857240 /nfs/dbraw/zinc/85/72/40/388857240.db2.gz GQOLPHLUPLCBRG-GFCCVEGCSA-N 1 0 239.363 1.961 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000254929771 388866797 /nfs/dbraw/zinc/86/67/97/388866797.db2.gz KQOYTHSIUBQRKP-UDSFMNFJSA-N 1 0 248.301 1.646 50 0 BDAARO [NH3+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000019508867 132325755 /nfs/dbraw/zinc/32/57/55/132325755.db2.gz WIHFHFPHWYBZNU-UHFFFAOYSA-N 1 0 239.750 1.421 50 0 BDAARO CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000038416902 132346099 /nfs/dbraw/zinc/34/60/99/132346099.db2.gz BJVBEJHKLPQUHP-UHFFFAOYSA-N 1 0 206.293 1.009 50 0 BDAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000001384102 132314025 /nfs/dbraw/zinc/31/40/25/132314025.db2.gz LXCXOZWVDWCOCC-UHFFFAOYSA-N 1 0 234.299 1.225 50 0 BDAARO CCN1C[C@@H](C[NH2+]C)Oc2ccccc21 ZINC000003888919 132315613 /nfs/dbraw/zinc/31/56/13/132315613.db2.gz SRHOYMFCVAJPNQ-SNVBAGLBSA-N 1 0 206.289 1.493 50 0 BDAARO COc1cccnc1N1CCC([NH3+])CC1 ZINC000014807526 132322645 /nfs/dbraw/zinc/32/26/45/132322645.db2.gz JVNBISZXVWTYML-UHFFFAOYSA-N 1 0 207.277 1.018 50 0 BDAARO O=C([C@H]1CCC[NH2+]C1)N1CCCc2ccccc21 ZINC000019410083 132324718 /nfs/dbraw/zinc/32/47/18/132324718.db2.gz FJFSYIMRWLNLSZ-ZDUSSCGKSA-N 1 0 244.338 1.965 50 0 BDAARO C[NH2+]CC(=O)N1CCCc2ccccc21 ZINC000019435291 132325201 /nfs/dbraw/zinc/32/52/01/132325201.db2.gz LYFCOGCKPPJBLB-UHFFFAOYSA-N 1 0 204.273 1.185 50 0 BDAARO Fc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000037483313 132344409 /nfs/dbraw/zinc/34/44/09/132344409.db2.gz GQCTTYBMNBDCEM-UHFFFAOYSA-N 1 0 214.671 1.889 50 0 BDAARO Cc1cc(N2CC[NH2+]CC2)nc2ccccc12 ZINC000095067845 132429098 /nfs/dbraw/zinc/42/90/98/132429098.db2.gz LCRABWZMGNEZJV-UHFFFAOYSA-N 1 0 227.311 1.953 50 0 in-vitro BDAARO Cc1ncc(C[NH+]2CCC(CF)CC2)cn1 ZINC000336208778 134133263 /nfs/dbraw/zinc/13/32/63/134133263.db2.gz FLTMEMKXCXHZQS-UHFFFAOYSA-N 1 0 223.295 1.967 50 0 BDAARO OCC1(C[NH2+][C@H]2CCCOC2)CCCC1 ZINC000168585090 134227553 /nfs/dbraw/zinc/22/75/53/134227553.db2.gz FDFCAXZXMVPNCN-NSHDSACASA-N 1 0 213.321 1.308 50 0 BDAARO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000252172680 135085932 /nfs/dbraw/zinc/08/59/32/135085932.db2.gz RLFHTJXOVOJYET-MXWKQRLJSA-N 1 0 210.321 1.433 50 0 BDAARO O=C1NCCCCCC[NH2+][C@H]2CCC[C@@H]12 ZINC000257175726 135099164 /nfs/dbraw/zinc/09/91/64/135099164.db2.gz BMWVYXFGEQCOFA-MNOVXSKESA-N 1 0 210.321 1.435 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000253394208 135126725 /nfs/dbraw/zinc/12/67/25/135126725.db2.gz ALWORZOEFFWKAC-DMDPSCGWSA-N 1 0 247.342 1.647 50 0 BDAARO CCC[C@](C)(CO)[NH2+]Cc1nccn1C ZINC000164161366 135214756 /nfs/dbraw/zinc/21/47/56/135214756.db2.gz FVQNTWUJHDRYIX-LLVKDONJSA-N 1 0 211.309 1.061 50 0 BDAARO CC1(C(=O)NCc2cccc(F)c2)C[NH2+]C1 ZINC000335010679 135406086 /nfs/dbraw/zinc/40/60/86/135406086.db2.gz KCFXTYRCIJJVDI-UHFFFAOYSA-N 1 0 222.263 1.051 50 0 BDAARO C[C@H](CC[NH2+][C@H]1CCCSC1)[S@](C)=O ZINC000097370930 397928868 /nfs/dbraw/zinc/92/88/68/397928868.db2.gz SFZPLFHIPZQDPK-ISTVAULSSA-N 1 0 235.418 1.629 50 0 BDAARO Fc1cnc(N2CCC([NH2+]C3CC3)CC2)nc1 ZINC000170052853 397966896 /nfs/dbraw/zinc/96/68/96/397966896.db2.gz OMJLKWDNNKWCPX-UHFFFAOYSA-N 1 0 236.294 1.337 50 0 BDAARO O=C(CCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000084123416 398067365 /nfs/dbraw/zinc/06/73/65/398067365.db2.gz QMLLYHKEFLYKQC-ZETCQYMHSA-N 1 0 224.226 1.197 50 0 BDAARO c1nnc([C@H]2CCC[NH2+]C2)n1Cc1ccccc1 ZINC000066323530 398090928 /nfs/dbraw/zinc/09/09/28/398090928.db2.gz RRPXSQBSDYMACQ-ZDUSSCGKSA-N 1 0 242.326 1.793 50 0 BDAARO C[C@H]1[NH2+]CCn2c(C(=O)NC3CC3)ccc21 ZINC000032626986 322899077 /nfs/dbraw/zinc/89/90/77/322899077.db2.gz DQLYPAXIZYQVRV-MRVPVSSYSA-N 1 0 219.288 1.045 50 0 BDAARO C[NH2+][C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000016697009 409659901 /nfs/dbraw/zinc/65/99/01/409659901.db2.gz VKEQBMCRQDSRET-SSDOTTSWSA-N 1 0 207.229 1.206 50 0 in-vitro BDAARO C[C@@H](C[NH3+])N(C)Cc1c[nH]nc1C(C)(C)C ZINC000097095607 410053366 /nfs/dbraw/zinc/05/33/66/410053366.db2.gz WSRNIYBNQDPGSV-VIFPVBQESA-N 1 0 224.352 1.486 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC([NH3+])C[C@@H]2C1 ZINC000076675037 410061735 /nfs/dbraw/zinc/06/17/35/410061735.db2.gz DPYIUHWPQGIBSS-RKDXNWHRSA-N 1 0 226.320 1.591 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=[NH2+] ZINC000057217571 166646869 /nfs/dbraw/zinc/64/68/69/166646869.db2.gz PKSOIBWMODHYAE-MRVPVSSYSA-N 1 0 227.308 1.712 50 0 BDAARO CC(C)(C)SCC[NH2+]C1(C(N)=O)CC1 ZINC000252510488 166689821 /nfs/dbraw/zinc/68/98/21/166689821.db2.gz ZLYYHTMVHCFTIS-UHFFFAOYSA-N 1 0 216.350 1.126 50 0 BDAARO CC(C)NC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000086229864 167079545 /nfs/dbraw/zinc/07/95/45/167079545.db2.gz AKRXOKNMBPRNLU-SECBINFHSA-N 1 0 200.282 1.263 50 0 BDAARO CC(C)OCCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000236785577 167194876 /nfs/dbraw/zinc/19/48/76/167194876.db2.gz NNRLUTWPHLMZAU-UHFFFAOYSA-N 1 0 242.363 1.530 50 0 BDAARO CC(C)Oc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000022752499 167293344 /nfs/dbraw/zinc/29/33/44/167293344.db2.gz CZFKNKGWFGWBSD-UHFFFAOYSA-N 1 0 234.343 1.879 50 0 BDAARO CC(C)[C@@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892089 167423299 /nfs/dbraw/zinc/42/32/99/167423299.db2.gz BDMUXSVRPSRJCU-SNVBAGLBSA-N 1 0 206.245 1.777 50 0 BDAARO CC(C)[C@](C)([NH3+])CNC(=O)OC(C)(C)C ZINC000068591713 167523730 /nfs/dbraw/zinc/52/37/30/167523730.db2.gz MXRCYWDIHPLOMW-LLVKDONJSA-N 1 0 216.325 1.885 50 0 BDAARO CCc1c(C)n(O)c2c([n+]1=O)CCCCC2 ZINC000103704115 487620350 /nfs/dbraw/zinc/62/03/50/487620350.db2.gz XFAXQWJHRHDJTC-UHFFFAOYSA-N 1 0 223.296 1.780 50 0 BDAARO CCC[C@@H]1C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004008283 411187437 /nfs/dbraw/zinc/18/74/37/411187437.db2.gz MRFBWCJMRGMVNO-RNFRBKRXSA-N 1 0 216.306 1.345 50 0 BDAARO COc1ccc(C[C@@H]2CCC[N@@H+]2CC(N)=O)cc1 ZINC000048580534 411204066 /nfs/dbraw/zinc/20/40/66/411204066.db2.gz GHMKIEOZCJVWDP-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000097104748 168102953 /nfs/dbraw/zinc/10/29/53/168102953.db2.gz AKFNKWQXZYQMNV-AVGNSLFASA-N 1 0 236.359 1.786 50 0 BDAARO CCC(=O)N1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000098020401 168223528 /nfs/dbraw/zinc/22/35/28/168223528.db2.gz DSKWGKWTLRJPGE-LLVKDONJSA-N 1 0 242.388 1.483 50 0 BDAARO CCc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)o1 ZINC000122581369 411433367 /nfs/dbraw/zinc/43/33/67/411433367.db2.gz VKAWHDVOKUUVMP-JTQLQIEISA-N 1 0 236.315 1.666 50 0 BDAARO CC[N@@H+]1CC[C@H](CNCc2ccco2)C1 ZINC000037484190 170016804 /nfs/dbraw/zinc/01/68/04/170016804.db2.gz POVQSJUDYBHBQB-LLVKDONJSA-N 1 0 208.305 1.711 50 0 BDAARO c1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)n[nH]1 ZINC000655855157 411537930 /nfs/dbraw/zinc/53/79/30/411537930.db2.gz DBESMMQDQGOTIH-QWHCGFSZSA-N 1 0 234.347 1.516 50 0 BDAARO CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000014807192 170167060 /nfs/dbraw/zinc/16/70/60/170167060.db2.gz APWWQUZRVODKQP-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000022028687 170168282 /nfs/dbraw/zinc/16/82/82/170168282.db2.gz ZSIUSRJKSLXIJH-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO CCOC(=O)CC1([NH3+])Cc2ccccc2C1 ZINC000086851979 170197860 /nfs/dbraw/zinc/19/78/60/170197860.db2.gz YGCOFXRMEAUBGS-UHFFFAOYSA-N 1 0 219.284 1.436 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccccc1F ZINC000005315524 170233738 /nfs/dbraw/zinc/23/37/38/170233738.db2.gz IBFWPUOXJBELLB-JTQLQIEISA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000000043552 170234031 /nfs/dbraw/zinc/23/40/31/170234031.db2.gz JOQNRQTYBXMXQY-NSHDSACASA-N 1 0 207.273 1.948 50 0 BDAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000253392893 170270514 /nfs/dbraw/zinc/27/05/14/170270514.db2.gz ZOLCUZCTGCRQPN-WHOHXGKFSA-N 1 0 243.347 1.731 50 0 BDAARO CCOC(=O)c1cccc(OC[C@H]2CC[NH2+]C2)c1 ZINC000038580822 170299396 /nfs/dbraw/zinc/29/93/96/170299396.db2.gz KKVZBPQENUCORX-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(CC[NH+]1CCCC1)OCC ZINC000005334158 170314685 /nfs/dbraw/zinc/31/46/85/170314685.db2.gz AUAATUPVYCPDKE-UHFFFAOYSA-N 1 0 201.310 1.871 50 0 BDAARO CCOC(OCC)[C@@H](O)C[NH+](CC)CC ZINC000071774080 170316120 /nfs/dbraw/zinc/31/61/20/170316120.db2.gz SFPZYVBTKKNZCM-JTQLQIEISA-N 1 0 219.325 1.088 50 0 BDAARO CCOC(C[N@@H+]1CC[C@@H](C)[C@H](O)C1)OCC ZINC000097161687 170316393 /nfs/dbraw/zinc/31/63/93/170316393.db2.gz KROHTBUACNHGNK-GHMZBOCLSA-N 1 0 231.336 1.088 50 0 BDAARO CCOC(C[N@@H+]1CC[C@@H](C)[C@@H](O)C1)OCC ZINC000221862644 170316472 /nfs/dbraw/zinc/31/64/72/170316472.db2.gz KROHTBUACNHGNK-MNOVXSKESA-N 1 0 231.336 1.088 50 0 BDAARO CCOCC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000038573031 170343225 /nfs/dbraw/zinc/34/32/25/170343225.db2.gz SKZRPDNBUFESQJ-UHFFFAOYSA-N 1 0 242.363 1.260 50 0 BDAARO CCOCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004298688 170381075 /nfs/dbraw/zinc/38/10/75/170381075.db2.gz APHYCBGYJNOOFL-UHFFFAOYSA-N 1 0 237.299 1.932 50 0 BDAARO CCOCCCO[C@H](C[NH3+])Cc1ccccc1 ZINC000014628620 170384401 /nfs/dbraw/zinc/38/44/01/170384401.db2.gz VSICIGKEHOHMAM-AWEZNQCLSA-N 1 0 237.343 2.000 50 0 BDAARO CCO[C@H]1COC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000065382008 170507537 /nfs/dbraw/zinc/50/75/37/170507537.db2.gz DBAUISPYOQRELY-GJZGRUSLSA-N 1 0 247.338 1.547 50 0 BDAARO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)N(C)CC ZINC000095462635 170773237 /nfs/dbraw/zinc/77/32/37/170773237.db2.gz QLNGLKHGGCZPQR-GHMZBOCLSA-N 1 0 214.353 1.879 50 0 BDAARO CC[C@H]([NH2+]CCc1nc(N)n[nH]1)C1CCCC1 ZINC000534636310 411874216 /nfs/dbraw/zinc/87/42/16/411874216.db2.gz KTAFUOXHLWLBEA-JTQLQIEISA-N 1 0 237.351 1.488 50 0 BDAARO CC[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCS1 ZINC000245339311 171095610 /nfs/dbraw/zinc/09/56/10/171095610.db2.gz RXESVYREDFPZJP-ZJUUUORDSA-N 1 0 228.361 1.045 50 0 BDAARO CC[C@@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082370866 171158235 /nfs/dbraw/zinc/15/82/35/171158235.db2.gz PMPYKOTYYOFJRY-DTWKUNHWSA-N 1 0 214.309 1.733 50 0 BDAARO CC[C@@](C)([NH3+])c1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000070948748 171172157 /nfs/dbraw/zinc/17/21/57/171172157.db2.gz NHBXFGCTPLXUPX-MRVPVSSYSA-N 1 0 235.209 1.785 50 0 BDAARO CC[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000069726471 171248442 /nfs/dbraw/zinc/24/84/42/171248442.db2.gz SKFDEUREFZEDAD-DCAQKATOSA-N 1 0 212.337 1.618 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccn1C ZINC000066150160 171306295 /nfs/dbraw/zinc/30/62/95/171306295.db2.gz JVYARAKGPYCUPG-NSHDSACASA-N 1 0 237.347 1.485 50 0 BDAARO CC[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000170602819 171318889 /nfs/dbraw/zinc/31/88/89/171318889.db2.gz TZJBVZDAICEWAB-ZDUSSCGKSA-N 1 0 233.359 1.998 50 0 BDAARO CC[C@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000013745927 171329200 /nfs/dbraw/zinc/32/92/00/171329200.db2.gz GIWKRNYIMSJXSP-NSHDSACASA-N 1 0 227.352 1.570 50 0 BDAARO NC(=O)c1ccc(NCC[C@H]2CCCC[NH2+]2)nc1 ZINC000534673694 412294528 /nfs/dbraw/zinc/29/45/28/412294528.db2.gz RQAQLNBUSYFEHR-LLVKDONJSA-N 1 0 248.330 1.125 50 0 BDAARO CCc1ncnc(N(C)CCC[NH+](C)C)c1F ZINC000095986705 172030424 /nfs/dbraw/zinc/03/04/24/172030424.db2.gz IWAPHABHSRFZHN-UHFFFAOYSA-N 1 0 240.326 1.566 50 0 BDAARO CCc1noc(CC)c1C[NH2+][C@H](C)CC(N)=O ZINC000095969154 172084157 /nfs/dbraw/zinc/08/41/57/172084157.db2.gz DOLMNYMWRMRPIJ-MRVPVSSYSA-N 1 0 239.319 1.153 50 0 BDAARO CCn1cc(NC(=O)CC2CC[NH2+]CC2)cn1 ZINC000038075090 172179452 /nfs/dbraw/zinc/17/94/52/172179452.db2.gz XBLJIVDHXXHUMM-UHFFFAOYSA-N 1 0 236.319 1.231 50 0 BDAARO CCn1ccnc1[C@@H]([NH3+])c1ccccc1 ZINC000011735329 172229224 /nfs/dbraw/zinc/22/92/24/172229224.db2.gz GRNPAXFVCGEWKT-NSHDSACASA-N 1 0 201.273 1.951 50 0 BDAARO CCn1nc(C[NH2+]CCO)c(-c2ccccc2)n1 ZINC000035287219 172250830 /nfs/dbraw/zinc/25/08/30/172250830.db2.gz CQSGODRJYJQXQF-UHFFFAOYSA-N 1 0 246.314 1.047 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1C[C@H]([NH3+])C1 ZINC000103541158 172325401 /nfs/dbraw/zinc/32/54/01/172325401.db2.gz OMNOXYPUAHSJRZ-OCAPTIKFSA-N 1 0 200.282 1.343 50 0 BDAARO CN(C(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000035219146 172327383 /nfs/dbraw/zinc/32/73/83/172327383.db2.gz WULJWLQUNKOTSJ-NSHDSACASA-N 1 0 210.321 1.530 50 0 BDAARO CN(C)C(=[NH2+])N1CCC(c2ccccc2)=N1 ZINC000096027845 172353525 /nfs/dbraw/zinc/35/35/25/172353525.db2.gz YUJPXDASOVTWHP-UHFFFAOYSA-N 1 0 216.288 1.593 50 0 BDAARO C[NH+](C)CCCNc1cc(Cl)ncn1 ZINC000042784003 172444313 /nfs/dbraw/zinc/44/43/13/172444313.db2.gz MHIXTTKAEOJKIV-UHFFFAOYSA-N 1 0 214.700 1.494 50 0 BDAARO CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000019607089 172451210 /nfs/dbraw/zinc/45/12/10/172451210.db2.gz WHBUKGNDMTWFFG-UHFFFAOYSA-N 1 0 210.296 1.819 50 0 BDAARO C[NH+](C)CCN/C=C1/c2ccccc2NC1=O ZINC000100257136 172453997 /nfs/dbraw/zinc/45/39/97/172453997.db2.gz HTOXOHOWVUKGKB-LUAWRHEFSA-N 1 0 231.299 1.131 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)CCC2 ZINC000024060218 172462627 /nfs/dbraw/zinc/46/26/27/172462627.db2.gz QDHOYEDWFLCADI-UHFFFAOYSA-N 1 0 232.327 1.467 50 0 BDAARO C[N@H+](CC(=O)NC(C)(C)C)C1CCCC1 ZINC000053435385 172606022 /nfs/dbraw/zinc/60/60/22/172606022.db2.gz HFTXMLLOYOHCPE-UHFFFAOYSA-N 1 0 212.337 1.776 50 0 BDAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccccc2)C1 ZINC000039203853 173023925 /nfs/dbraw/zinc/02/39/25/173023925.db2.gz YWDRCXARSAQKAK-GFCCVEGCSA-N 1 0 219.284 1.938 50 0 BDAARO CN1CC[N@H+](CC(C)(C)C)C[C@@H]1CCO ZINC000020598669 173080807 /nfs/dbraw/zinc/08/08/07/173080807.db2.gz VMFPXZVWNRJRJR-NSHDSACASA-N 1 0 214.353 1.031 50 0 BDAARO C[NH+]1CCN(Cc2cccc3c2OCO3)CC1 ZINC000089382724 173087802 /nfs/dbraw/zinc/08/78/02/173087802.db2.gz FOKYZDNYYDIINC-UHFFFAOYSA-N 1 0 234.299 1.163 50 0 BDAARO CN1CCO[C@@H](C[NH2+]CCc2cccs2)C1 ZINC000069590223 173101663 /nfs/dbraw/zinc/10/16/63/173101663.db2.gz WGUVMJRDWAOUMH-NSHDSACASA-N 1 0 240.372 1.211 50 0 BDAARO CN1CCO[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC000069351359 173103629 /nfs/dbraw/zinc/10/36/29/173103629.db2.gz FPFLDUXWULMMJI-NSHDSACASA-N 1 0 226.345 1.168 50 0 BDAARO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cn3)[C@@H]2C1 ZINC000252502832 173134604 /nfs/dbraw/zinc/13/46/04/173134604.db2.gz UUHMAHSQLWEZEB-ZYHUDNBSSA-N 1 0 235.306 1.751 50 0 BDAARO C[N@@H+]1CC[C@H](OC(=O)c2ccccc2)C1 ZINC000071773753 173155764 /nfs/dbraw/zinc/15/57/64/173155764.db2.gz CRGMQKXGMWUBIG-NSHDSACASA-N 1 0 205.257 1.548 50 0 BDAARO C[N@@H+]1CCc2nc(-c3ccccc3)[nH]c(=O)c2C1 ZINC000033553711 173174532 /nfs/dbraw/zinc/17/45/32/173174532.db2.gz WGMOOYOVPLSQNC-UHFFFAOYSA-N 1 0 241.294 1.425 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H]1COc1ccccc1 ZINC000079100132 173274197 /nfs/dbraw/zinc/27/41/97/173274197.db2.gz ASTXZTZJNIDHOG-GFCCVEGCSA-N 1 0 248.326 1.276 50 0 BDAARO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1C ZINC000129991808 173295129 /nfs/dbraw/zinc/29/51/29/173295129.db2.gz JISUZTSJVNNTGR-SECBINFHSA-N 1 0 240.734 1.873 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000242304958 173299870 /nfs/dbraw/zinc/29/98/70/173299870.db2.gz YTPMHXFZITVUMD-IJLUTSLNSA-N 1 0 222.332 1.599 50 0 BDAARO C[NH2+]CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000037495173 173324797 /nfs/dbraw/zinc/32/47/97/173324797.db2.gz LRTACGDUXQZVAS-SNVBAGLBSA-N 1 0 206.289 1.425 50 0 BDAARO C[NH2+]CC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000037817335 173326339 /nfs/dbraw/zinc/32/63/39/173326339.db2.gz AMJPNJVCEIVPNB-CYBMUJFWSA-N 1 0 232.327 1.878 50 0 BDAARO C[NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004258043 173327932 /nfs/dbraw/zinc/32/79/32/173327932.db2.gz SHXKRMMITDEQSE-UHFFFAOYSA-N 1 0 222.332 1.291 50 0 BDAARO C[NH2+]CC(=O)Nc1cccc2ncccc21 ZINC000019507806 173335623 /nfs/dbraw/zinc/33/56/23/173335623.db2.gz GPDJZSDHIXJKBT-UHFFFAOYSA-N 1 0 215.256 1.393 50 0 BDAARO C[NH2+]CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC000121744030 173349232 /nfs/dbraw/zinc/34/92/32/173349232.db2.gz GHSUGBDBIKGAIA-UHFFFAOYSA-N 1 0 240.734 1.988 50 0 BDAARO C[NH2+]CCCOc1ccc(C)cc1OC ZINC000002845208 173350076 /nfs/dbraw/zinc/35/00/76/173350076.db2.gz GZEHHQAEVCUZMA-UHFFFAOYSA-N 1 0 209.289 1.992 50 0 BDAARO C[NH2+]CCCNCc1ccc2c(c1)OCO2 ZINC000004488619 173350100 /nfs/dbraw/zinc/35/01/00/173350100.db2.gz KERZVQJZURVNBM-UHFFFAOYSA-N 1 0 222.288 1.114 50 0 BDAARO C[NH2+]CCc1noc(-c2ccc(F)cc2)n1 ZINC000034928878 173362040 /nfs/dbraw/zinc/36/20/40/173362040.db2.gz KAFGVKAKENKLHZ-UHFFFAOYSA-N 1 0 221.235 1.638 50 0 BDAARO C[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000019862074 173367247 /nfs/dbraw/zinc/36/72/47/173367247.db2.gz ADXIUXWVYBRUIW-JTQLQIEISA-N 1 0 226.345 1.341 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cncc(C)c2)C1 ZINC000088451611 173367958 /nfs/dbraw/zinc/36/79/58/173367958.db2.gz LUAQYTFCDAAITQ-LBPRGKRZSA-N 1 0 247.342 1.462 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cncc(F)c1 ZINC000156744413 173368838 /nfs/dbraw/zinc/36/88/38/173368838.db2.gz SOCUHHXLIZKMRC-NSHDSACASA-N 1 0 237.278 1.045 50 0 BDAARO C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000000333719 173377057 /nfs/dbraw/zinc/37/70/57/173377057.db2.gz CCXZHDCWFJMQSJ-NSHDSACASA-N 1 0 209.289 1.263 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000071144050 173380457 /nfs/dbraw/zinc/38/04/57/173380457.db2.gz UAWSDPQGZFGQJL-GFCCVEGCSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000004206255 173448132 /nfs/dbraw/zinc/44/81/32/173448132.db2.gz LKZAEAUQHSOIAY-SECBINFHSA-N 1 0 202.261 1.548 50 0 BDAARO COC(=O)C1(Oc2ccccc2)CC[NH2+]CC1 ZINC000205361050 173516225 /nfs/dbraw/zinc/51/62/25/173516225.db2.gz HBLAGNCPXAWKTE-UHFFFAOYSA-N 1 0 235.283 1.361 50 0 BDAARO COC(=O)c1cccc(OCCC[NH+](C)C)c1 ZINC000012370623 173897064 /nfs/dbraw/zinc/89/70/64/173897064.db2.gz WGAZXKVAWOAUOI-UHFFFAOYSA-N 1 0 237.299 1.804 50 0 BDAARO COCC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000070084419 174118759 /nfs/dbraw/zinc/11/87/59/174118759.db2.gz ZYTHELZEKWFGOC-LBPRGKRZSA-N 1 0 240.347 1.014 50 0 BDAARO COCCC[NH2+]Cc1cccc(OC)c1 ZINC000002555541 174248484 /nfs/dbraw/zinc/24/84/84/174248484.db2.gz BBNSSLNZQBQSIT-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO COCCN(CCC[NH3+])Cc1ccco1 ZINC000032919812 174291290 /nfs/dbraw/zinc/29/12/90/174291290.db2.gz HTQPJHNJPXWURM-UHFFFAOYSA-N 1 0 212.293 1.077 50 0 BDAARO COCC[N@H+](CCCO)Cc1ccco1 ZINC000051739034 174291392 /nfs/dbraw/zinc/29/13/92/174291392.db2.gz UPTXFBOUSIPNQU-UHFFFAOYSA-N 1 0 213.277 1.110 50 0 BDAARO COCCN1CCC([NH+]2CCCCC2)CC1 ZINC000052003063 174304790 /nfs/dbraw/zinc/30/47/90/174304790.db2.gz KMZZDWJGBPKZMS-UHFFFAOYSA-N 1 0 226.364 1.583 50 0 BDAARO COCC[N@@H+]1CCC[C@@H]1Cn1nc(C)cc1C ZINC000071876073 174306273 /nfs/dbraw/zinc/30/62/73/174306273.db2.gz CVIMSQMOXCUULO-CYBMUJFWSA-N 1 0 237.347 1.611 50 0 BDAARO COCCN1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000071886615 174313025 /nfs/dbraw/zinc/31/30/25/174313025.db2.gz OLMYQNPCVPNDEW-OAHLLOKOSA-N 1 0 248.370 1.805 50 0 BDAARO COCC[NH2+]CCNc1ccc(F)cc1 ZINC000053388669 174333059 /nfs/dbraw/zinc/33/30/59/174333059.db2.gz SJRFAKPYRQMPTF-UHFFFAOYSA-N 1 0 212.268 1.474 50 0 BDAARO COCC[NH2+]CCOc1cccc(Cl)c1 ZINC000002930886 174333353 /nfs/dbraw/zinc/33/33/53/174333353.db2.gz VIZKCZODURBFDP-UHFFFAOYSA-N 1 0 229.707 1.955 50 0 BDAARO COCC[NH2+]CCOc1ccc(C)cc1 ZINC000016677422 174333401 /nfs/dbraw/zinc/33/34/01/174333401.db2.gz DDNKCJOTHBQNFG-UHFFFAOYSA-N 1 0 209.289 1.610 50 0 BDAARO COCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000032013968 174368869 /nfs/dbraw/zinc/36/88/69/174368869.db2.gz ZLCDXIOXVJNIRY-UHFFFAOYSA-N 1 0 221.300 1.964 50 0 BDAARO COC[C@H](C)[NH2+]CCNc1cccnc1 ZINC000065380317 174547639 /nfs/dbraw/zinc/54/76/39/174547639.db2.gz KUUTUFJZXAHFEA-JTQLQIEISA-N 1 0 209.293 1.118 50 0 BDAARO COc1ccc(-c2nc(CC[NH3+])co2)cc1 ZINC000019408295 175039627 /nfs/dbraw/zinc/03/96/27/175039627.db2.gz WDZAPDWVDUZWOV-UHFFFAOYSA-N 1 0 218.256 1.851 50 0 BDAARO COc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000053253862 175061349 /nfs/dbraw/zinc/06/13/49/175061349.db2.gz LATOANUQIIHRID-LLVKDONJSA-N 1 0 234.299 1.177 50 0 BDAARO COc1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1C ZINC000237298330 175104799 /nfs/dbraw/zinc/10/47/99/175104799.db2.gz RZZNOGBNLXIQPT-GFCCVEGCSA-N 1 0 248.326 1.229 50 0 BDAARO COc1ccc(COC2CC[NH2+]CC2)cc1 ZINC000036963162 175113426 /nfs/dbraw/zinc/11/34/26/175113426.db2.gz OUAFKQJFEYUOIG-UHFFFAOYSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccc(Cc2c(N)nc(C)[nH+]c2N)cc1 ZINC000002559811 175117987 /nfs/dbraw/zinc/11/79/87/175117987.db2.gz IRHFZPFFOFRZDF-UHFFFAOYSA-N 1 0 244.298 1.549 50 0 BDAARO COc1ccc(Cl)cc1C[NH2+]C[C@@H](C)O ZINC000006730048 175120443 /nfs/dbraw/zinc/12/04/43/175120443.db2.gz UFQIFJUKTPDMGO-MRVPVSSYSA-N 1 0 229.707 1.819 50 0 BDAARO COc1ccc(F)c(-c2nc3c([nH]2)C[NH2+]CC3)c1 ZINC000097766296 175124713 /nfs/dbraw/zinc/12/47/13/175124713.db2.gz GNVSFSNFXXUBMQ-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO COc1ccc([C@@H](C[NH3+])N2CCCC2)cc1 ZINC000088604456 175178360 /nfs/dbraw/zinc/17/83/60/175178360.db2.gz MQRPNOSBMHBKSJ-CYBMUJFWSA-N 1 0 220.316 1.791 50 0 BDAARO COc1ccc2[nH]cc(CCNC(N)=[NH2+])c2c1 ZINC000000094217 175202492 /nfs/dbraw/zinc/20/24/92/175202492.db2.gz BVCJTXDGLWLZSU-UHFFFAOYSA-N 1 0 232.287 1.202 50 0 BDAARO COc1ccc2c(c1)OCC[C@H](C[NH+](C)C)C2=O ZINC000062623564 175212650 /nfs/dbraw/zinc/21/26/50/175212650.db2.gz OJBNMYOXGBPZSA-SNVBAGLBSA-N 1 0 249.310 1.838 50 0 BDAARO COc1ccc2c(c1)[C@H](CC[NH3+])C(=O)N2 ZINC000000518468 175215978 /nfs/dbraw/zinc/21/59/78/175215978.db2.gz BCXJSGVGMWGQEV-QMMMGPOBSA-N 1 0 206.245 1.080 50 0 biogenic BDAARO COc1cccc(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000000759080 175258343 /nfs/dbraw/zinc/25/83/43/175258343.db2.gz ABXNXRUVNACULP-LBPRGKRZSA-N 1 0 221.300 1.652 50 0 BDAARO COc1cccc(C[NH2+]CCC(C)(C)O)n1 ZINC000225388074 175263700 /nfs/dbraw/zinc/26/37/00/175263700.db2.gz VFKYBXDAHJFRMM-UHFFFAOYSA-N 1 0 224.304 1.341 50 0 BDAARO COc1cccc(C[NH2+]CCCO)c1OC ZINC000002566354 175264429 /nfs/dbraw/zinc/26/44/29/175264429.db2.gz UORGOETVDFBNAN-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO COc1ccccc1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246258 175320762 /nfs/dbraw/zinc/32/07/62/175320762.db2.gz WVRZZEJHWSIIHA-LLVKDONJSA-N 1 0 248.326 1.045 50 0 BDAARO COc1ccccc1CN1CC[NH2+]CC1 ZINC000019570520 175327407 /nfs/dbraw/zinc/32/74/07/175327407.db2.gz ODXQCAXQWUZKSB-UHFFFAOYSA-N 1 0 206.289 1.100 50 0 BDAARO COc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000036383215 175330066 /nfs/dbraw/zinc/33/00/66/175330066.db2.gz PMOYUUSJCIXDLX-JTQLQIEISA-N 1 0 249.232 1.708 50 0 BDAARO COc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000019409394 175336530 /nfs/dbraw/zinc/33/65/30/175336530.db2.gz SMFQDHOZSBZMPK-JTQLQIEISA-N 1 0 234.299 1.633 50 0 BDAARO COc1ccccc1NC[C@@H]1CCC[NH2+]1 ZINC000006658195 175337547 /nfs/dbraw/zinc/33/75/47/175337547.db2.gz UDHPHCCHADFXHE-JTQLQIEISA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccccc1NC[C@H]1CCC[NH2+]1 ZINC000006658196 175337758 /nfs/dbraw/zinc/33/77/58/175337758.db2.gz UDHPHCCHADFXHE-SNVBAGLBSA-N 1 0 206.289 1.859 50 0 BDAARO CSC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000044076373 175528828 /nfs/dbraw/zinc/52/88/28/175528828.db2.gz CQESTZGPIRSWTO-SECBINFHSA-N 1 0 201.335 1.508 50 0 BDAARO C[C@@H]1CCCN(C(=O)n2cc[n+](C)c2)C1 ZINC000032628696 176096203 /nfs/dbraw/zinc/09/62/03/176096203.db2.gz JFARCVONEIMYRA-SNVBAGLBSA-N 1 0 208.285 1.013 50 0 BDAARO C[C@@H]1CC[N@H+](Cc2ccc(F)cn2)[C@@H]1CO ZINC000276261351 176176236 /nfs/dbraw/zinc/17/62/36/176176236.db2.gz RAKSXAJDZOBGJS-BXKDBHETSA-N 1 0 224.279 1.423 50 0 BDAARO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000039093804 176186473 /nfs/dbraw/zinc/18/64/73/176186473.db2.gz SBAAVGHNGCRJNY-RKDXNWHRSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1ccccc1 ZINC000071897060 176221796 /nfs/dbraw/zinc/22/17/96/176221796.db2.gz ROGFJQVUPABKGE-OCCSQVGLSA-N 1 0 246.354 1.815 50 0 BDAARO C[C@@H]1CC[C@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757196 176228980 /nfs/dbraw/zinc/22/89/80/176228980.db2.gz UIRHXVCMGIHNGY-KOLCDFICSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccccc1 ZINC000068593137 176229051 /nfs/dbraw/zinc/22/90/51/176229051.db2.gz JKSBJAIJUUQUJS-YPMHNXCESA-N 1 0 204.317 1.998 50 0 BDAARO C[C@@H]1CN(C(=O)CCc2ccncc2)C[C@@H](C)[NH2+]1 ZINC000132719728 176246820 /nfs/dbraw/zinc/24/68/20/176246820.db2.gz ANKXBIRNLBMBKD-VXGBXAGGSA-N 1 0 247.342 1.223 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[NH2+]1 ZINC000022060172 176252859 /nfs/dbraw/zinc/25/28/59/176252859.db2.gz GDTFCUXOVITPHU-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]1 ZINC000038338228 176253735 /nfs/dbraw/zinc/25/37/35/176253735.db2.gz PGZCVLUQTJRRAA-RKDXNWHRSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000002509806 176254095 /nfs/dbraw/zinc/25/40/95/176254095.db2.gz DUBXUUPBIKNFEA-HTQZYQBOSA-N 1 0 200.282 1.201 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000091549100 176255432 /nfs/dbraw/zinc/25/54/32/176255432.db2.gz COINJEAYFFAZPR-MXWKQRLJSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)c1cccnc1 ZINC000188396428 176257106 /nfs/dbraw/zinc/25/71/06/176257106.db2.gz XVNZIVOEWAFDQZ-GHMZBOCLSA-N 1 0 233.315 1.005 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccccc2)CC[NH2+]1 ZINC000005240503 176262186 /nfs/dbraw/zinc/26/21/86/176262186.db2.gz BCXBBYDLRSJZTE-SNVBAGLBSA-N 1 0 204.273 1.121 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1coc2ccccc12 ZINC000070392948 176327138 /nfs/dbraw/zinc/32/71/38/176327138.db2.gz MMUVOJOSVHSZKS-SNVBAGLBSA-N 1 0 244.294 1.867 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C[C@@H](O)c1ccccc1 ZINC000083350677 176327203 /nfs/dbraw/zinc/32/72/03/176327203.db2.gz OFTPWUUIHZKGMS-DGCLKSJQSA-N 1 0 220.316 1.014 50 0 BDAARO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCOC2=O)C1 ZINC000065592226 176360730 /nfs/dbraw/zinc/36/07/30/176360730.db2.gz LLJNLYFHJBOECO-GHMZBOCLSA-N 1 0 226.320 1.417 50 0 BDAARO C[C@H](CC[NH2+][C@@H]1CCCSC1)[S@](C)=O ZINC000097370927 176629909 /nfs/dbraw/zinc/62/99/09/176629909.db2.gz SFZPLFHIPZQDPK-GPCCPHFNSA-N 1 0 235.418 1.629 50 0 BDAARO C[C@H](CNC(=O)c1cccnc1)[NH+]1CCCC1 ZINC000036077095 176677456 /nfs/dbraw/zinc/67/74/56/176677456.db2.gz WSEQROPRIXPTAS-LLVKDONJSA-N 1 0 233.315 1.296 50 0 BDAARO C[C@H]([NH3+])C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000158237319 176746111 /nfs/dbraw/zinc/74/61/11/176746111.db2.gz AKOACTBEJLPMAJ-LURJTMIESA-N 1 0 246.232 1.410 50 0 BDAARO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000062112853 176809513 /nfs/dbraw/zinc/80/95/13/176809513.db2.gz IIIDQJRRLDCYLA-DTWKUNHWSA-N 1 0 224.329 1.535 50 0 BDAARO C[C@H](Nc1cc[nH+]cc1N)[C@@H]1CCCO1 ZINC000035734648 176937553 /nfs/dbraw/zinc/93/75/53/176937553.db2.gz HEVLKRGBQKVEKS-KWQFWETISA-N 1 0 207.277 1.643 50 0 BDAARO C[C@H](O)c1nc2ccccc2n1CC[NH3+] ZINC000082639830 177018416 /nfs/dbraw/zinc/01/84/16/177018416.db2.gz SPXFJWGXONWXBA-QMMMGPOBSA-N 1 0 205.261 1.048 50 0 BDAARO C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000019412107 177094416 /nfs/dbraw/zinc/09/44/16/177094416.db2.gz LBUYTNUCAWAENU-WDEREUQCSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@H]1CN(C(=O)C[NH+]2CCCCCC2)CCO1 ZINC000058403708 177217031 /nfs/dbraw/zinc/21/70/31/177217031.db2.gz WQGKPQUYXBEZSR-LBPRGKRZSA-N 1 0 240.347 1.110 50 0 BDAARO C[C@H]1CN(C)c2ccccc2N(C(=O)C[NH3+])C1 ZINC000237662475 177240763 /nfs/dbraw/zinc/24/07/63/177240763.db2.gz RDLLMTDVQMOOKW-JTQLQIEISA-N 1 0 233.315 1.064 50 0 BDAARO C[C@H]1CN(CCOc2ccccc2)CC[NH2+]1 ZINC000040456340 177252770 /nfs/dbraw/zinc/25/27/70/177252770.db2.gz OMTFNXRYNFLYNB-LBPRGKRZSA-N 1 0 220.316 1.359 50 0 BDAARO C[C@@H]1C[N@@H+](Cc2ccccc2N)C[C@H](C)O1 ZINC000019281670 177266704 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178343220 /nfs/dbraw/zinc/34/32/20/178343220.db2.gz VHGZTMZNYLPGSY-MNOVXSKESA-N 1 0 245.282 1.440 50 0 biogenic,in-vitro BDAARO Cc1ccc(C(=O)CN2CC[NH2+]CC2)cc1 ZINC000019673204 178373207 /nfs/dbraw/zinc/37/32/07/178373207.db2.gz MNGIWWWGIQAVFC-UHFFFAOYSA-N 1 0 218.300 1.083 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000050245883 178395926 /nfs/dbraw/zinc/39/59/26/178395926.db2.gz ZJFPPMMQDRGIKQ-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO [NH3+][C@H]1c2c(ccc3ccccc32)OC[C@@H]1CO ZINC000000167389 342678997 /nfs/dbraw/zinc/67/89/97/342678997.db2.gz DPVMRKPAOPNUIX-IINYFYTJSA-N 1 0 229.279 1.841 50 0 BDAARO CN1CCC([NH2+]Cc2ccncc2)CC1 ZINC000000280434 342682161 /nfs/dbraw/zinc/68/21/61/342682161.db2.gz KBQJZXOYBNRYDN-UHFFFAOYSA-N 1 0 205.305 1.265 50 0 BDAARO CCOc1ccc(CC[NH3+])cc1OCC ZINC000000370063 342685168 /nfs/dbraw/zinc/68/51/68/342685168.db2.gz YOUNXJAJHCCMNK-UHFFFAOYSA-N 1 0 209.289 1.985 50 0 BDAARO CC[NH+](CC)CCOC(=O)c1ccc(N)cc1 ZINC000001530757 342702535 /nfs/dbraw/zinc/70/25/35/342702535.db2.gz MFDFERRIHVXMIY-UHFFFAOYSA-N 1 0 236.315 1.767 50 0 world BDAARO CCCCC[C@@H]([NH2+]CCC)[C@@H](O)CO ZINC000002023260 342714678 /nfs/dbraw/zinc/71/46/78/342714678.db2.gz SBFBOWJLXWGTNQ-MNOVXSKESA-N 1 0 203.326 1.288 50 0 BDAARO CC(C)(C)OC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000004202257 342743609 /nfs/dbraw/zinc/74/36/09/342743609.db2.gz XQIKKZRRQGXGHF-JTQLQIEISA-N 1 0 228.336 1.901 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000004202419 342743660 /nfs/dbraw/zinc/74/36/60/342743660.db2.gz DIRUVVRMWMDZAE-SECBINFHSA-N 1 0 214.309 1.653 50 0 BDAARO CC[C@]1(C)COCCN1CC[NH+]1CCCCC1 ZINC000253393716 398279073 /nfs/dbraw/zinc/27/90/73/398279073.db2.gz UYZVRTWKWRNXJG-CQSZACIVSA-N 1 0 240.391 1.973 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000004298866 342746172 /nfs/dbraw/zinc/74/61/72/342746172.db2.gz WKTWPAVCKXHOQH-SECBINFHSA-N 1 0 213.664 1.903 50 0 BDAARO O=S1(=O)CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000004298757 342746245 /nfs/dbraw/zinc/74/62/45/342746245.db2.gz GJFFBAFTFQNHEX-GFCCVEGCSA-N 1 0 239.340 1.006 50 0 BDAARO Cc1c([C@@H](C)[NH3+])cnn1-c1ccccn1 ZINC000004343454 342746965 /nfs/dbraw/zinc/74/69/65/342746965.db2.gz OGRPHIGFGXFUOU-MRVPVSSYSA-N 1 0 202.261 1.595 50 0 BDAARO [NH3+][C@H](CCn1ccnc1)c1ccccc1 ZINC000004343554 342746966 /nfs/dbraw/zinc/74/69/66/342746966.db2.gz PCQUTABEOMKBTK-GFCCVEGCSA-N 1 0 201.273 1.973 50 0 BDAARO O=C1CC2(CC[NH2+]CC2)Oc2ccc(F)cc21 ZINC000002524476 342722484 /nfs/dbraw/zinc/72/24/84/342722484.db2.gz VIDRCVJKHNBSPC-UHFFFAOYSA-N 1 0 235.258 1.913 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(SC)cc1 ZINC000004599220 342749787 /nfs/dbraw/zinc/74/97/87/342749787.db2.gz UDZBDPGRFQAORG-JTQLQIEISA-N 1 0 225.313 1.971 50 0 BDAARO Nc1ccccc1OCC[NH+]1CCCC1 ZINC000004938430 342754816 /nfs/dbraw/zinc/75/48/16/342754816.db2.gz JTDDQVZMAYCEPA-UHFFFAOYSA-N 1 0 206.289 1.743 50 0 BDAARO Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000004977812 342755357 /nfs/dbraw/zinc/75/53/57/342755357.db2.gz MXSYUHKGZVDCLL-UHFFFAOYSA-N 1 0 205.301 1.952 50 0 BDAARO COC(=O)c1ccc(C[C@H]2CC[NH2+]C2)cc1 ZINC000035571903 342751415 /nfs/dbraw/zinc/75/14/15/342751415.db2.gz OPTBFKIVQIBNRR-LLVKDONJSA-N 1 0 219.284 1.625 50 0 BDAARO CCc1c(C)scc1C(=O)NCC[NH+](C)C ZINC000004749045 342751532 /nfs/dbraw/zinc/75/15/32/342751532.db2.gz QUEJPKVGVXODML-UHFFFAOYSA-N 1 0 240.372 1.910 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000008699263 342802225 /nfs/dbraw/zinc/80/22/25/342802225.db2.gz RHZYPIMJMZIAGF-GHMZBOCLSA-N 1 0 205.257 1.163 50 0 BDAARO COC(=O)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000008700049 342802446 /nfs/dbraw/zinc/80/24/46/342802446.db2.gz HJYDTRNWYSGYKS-NEPJUHHUSA-N 1 0 219.284 1.900 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000006646729 342780254 /nfs/dbraw/zinc/78/02/54/342780254.db2.gz YZBHPTZUARKXKZ-NWDGAFQWSA-N 1 0 235.283 1.171 50 0 BDAARO CCOc1ccc(CCC[NH3+])cc1OC ZINC000006657979 342780333 /nfs/dbraw/zinc/78/03/33/342780333.db2.gz AETJHINOZUXDCQ-UHFFFAOYSA-N 1 0 209.289 1.985 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000006692947 342780882 /nfs/dbraw/zinc/78/08/82/342780882.db2.gz FYUVLZRRIRGSTE-IUCAKERBSA-N 1 0 212.293 1.073 50 0 BDAARO CC1(C)COC[C@@H]1[NH2+]Cc1ccncc1F ZINC000336227774 342788623 /nfs/dbraw/zinc/78/86/23/342788623.db2.gz GTOHKSRUTQWCHZ-NSHDSACASA-N 1 0 224.279 1.735 50 0 BDAARO CCn1nccc1C[NH2+]CCC1(C)OCCO1 ZINC000097376338 342792327 /nfs/dbraw/zinc/79/23/27/342792327.db2.gz DTVDVSJOXHSQEM-UHFFFAOYSA-N 1 0 239.319 1.146 50 0 BDAARO Nc1ccc([C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000009879380 342829132 /nfs/dbraw/zinc/82/91/32/342829132.db2.gz UOFGVNBTBSIFTR-ZDUSSCGKSA-N 1 0 220.316 1.788 50 0 BDAARO CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000011754392 342842891 /nfs/dbraw/zinc/84/28/91/342842891.db2.gz GOSKWGVKXMQDOZ-ZDUSSCGKSA-N 1 0 232.327 1.787 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[NH2+]1 ZINC000012649021 342855927 /nfs/dbraw/zinc/85/59/27/342855927.db2.gz DPJPFGHHTJLWQQ-MRVPVSSYSA-N 1 0 200.282 1.263 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+]C[C@@H]21 ZINC000012506741 342852963 /nfs/dbraw/zinc/85/29/63/342852963.db2.gz ITVHTQLHEQGQNG-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO CCOc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000014632114 342883214 /nfs/dbraw/zinc/88/32/14/342883214.db2.gz QRUULZANXZNLHG-SNVBAGLBSA-N 1 0 207.273 1.826 50 0 BDAARO CCOc1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC000014632287 342883243 /nfs/dbraw/zinc/88/32/43/342883243.db2.gz HSAXURXXFADKCT-GFCCVEGCSA-N 1 0 207.273 1.826 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C)nc2C)C1 ZINC000055331153 398311893 /nfs/dbraw/zinc/31/18/93/398311893.db2.gz TYOIDNFPOWMREY-LBPRGKRZSA-N 1 0 247.342 1.522 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000014949349 342889646 /nfs/dbraw/zinc/88/96/46/342889646.db2.gz XVQFBLXWWPWKBC-CYBMUJFWSA-N 1 0 230.311 1.323 50 0 BDAARO C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000016605588 342913524 /nfs/dbraw/zinc/91/35/24/342913524.db2.gz MLZXURLAIJUJLY-UHFFFAOYSA-N 1 0 236.290 1.650 50 0 BDAARO [NH3+][C@@H]1COc2ccc(Br)cc2C1 ZINC000016083025 342906127 /nfs/dbraw/zinc/90/61/27/342906127.db2.gz BUFGYKCIZBYJSH-QMMMGPOBSA-N 1 0 228.089 1.711 50 0 BDAARO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)o1 ZINC000016603184 342913362 /nfs/dbraw/zinc/91/33/62/342913362.db2.gz DDCMJKDCZTZUHM-UHFFFAOYSA-N 1 0 236.315 1.720 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@@H]2[NH2+]C[C@H]2C1 ZINC000016697399 342914469 /nfs/dbraw/zinc/91/44/69/342914469.db2.gz BCONCMOUSFKNCK-RYUDHWBXSA-N 1 0 232.283 1.227 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000069490062 398330199 /nfs/dbraw/zinc/33/01/99/398330199.db2.gz WHMIQPBSYSSWSE-LLVKDONJSA-N 1 0 219.288 1.963 50 0 BDAARO CCOc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000019823638 342958551 /nfs/dbraw/zinc/95/85/51/342958551.db2.gz XWCHWEXBWHLVLN-UHFFFAOYSA-N 1 0 222.332 1.737 50 0 BDAARO O=C(Oc1ccccc1)N1CCC[NH2+]CC1 ZINC000019815559 342958584 /nfs/dbraw/zinc/95/85/84/342958584.db2.gz ZWBYUPCGKNBBRV-UHFFFAOYSA-N 1 0 220.272 1.481 50 0 BDAARO Fc1cccc(CN2CCC[NH2+]CC2)c1 ZINC000019735663 342955360 /nfs/dbraw/zinc/95/53/60/342955360.db2.gz GUVOCHQLYVTSTO-UHFFFAOYSA-N 1 0 208.280 1.621 50 0 BDAARO C[C@@H](CNC(=O)c1ccsc1)[NH+]1CCCC1 ZINC000042504832 362004690 /nfs/dbraw/zinc/00/46/90/362004690.db2.gz FYLDCYGIBPEMOR-JTQLQIEISA-N 1 0 238.356 1.962 50 0 BDAARO C[C@H]([NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000020216879 342977617 /nfs/dbraw/zinc/97/76/17/342977617.db2.gz CLWNDLFWAFLCSS-IMTBSYHQSA-N 1 0 230.105 1.830 50 0 BDAARO CC[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020185607 342975074 /nfs/dbraw/zinc/97/50/74/342975074.db2.gz LWVXVEDFAOTXEX-SECBINFHSA-N 1 0 204.277 1.617 50 0 BDAARO C[C@H]([NH3+])[C@@H](O)c1c(F)cccc1Cl ZINC000020216929 342977707 /nfs/dbraw/zinc/97/77/07/342977707.db2.gz YUONVKUIXPCNAA-SSDLBLMSSA-N 1 0 203.644 1.860 50 0 BDAARO Cn1c2ccc[n+](C)c2nc1C(F)(F)F ZINC000000500393 346908550 /nfs/dbraw/zinc/90/85/50/346908550.db2.gz YRHOBAYPYWSEAC-UHFFFAOYSA-N 1 0 216.186 1.417 50 0 BDAARO [NH3+][C@@H](CCN1CCOCC1)c1ccccc1 ZINC000019958076 342964902 /nfs/dbraw/zinc/96/49/02/342964902.db2.gz IVUZMSKFADOAKT-ZDUSSCGKSA-N 1 0 220.316 1.409 50 0 BDAARO O=C(C[NH2+]CC1CC1)Nc1ccc(F)cc1 ZINC000020037560 342966986 /nfs/dbraw/zinc/96/69/86/342966986.db2.gz YUCIRVJGLGLCPH-UHFFFAOYSA-N 1 0 222.263 1.764 50 0 BDAARO Cc1ccc(CN2CC[N@@H+](C)[C@@H](CCO)C2)o1 ZINC000020912299 342998449 /nfs/dbraw/zinc/99/84/49/342998449.db2.gz YYMGKCIHRLHNCI-LBPRGKRZSA-N 1 0 238.331 1.086 50 0 BDAARO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)no1 ZINC000042506543 362005088 /nfs/dbraw/zinc/00/50/88/362005088.db2.gz QJYZVGRYNLPLGX-SECBINFHSA-N 1 0 237.303 1.197 50 0 BDAARO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH3+] ZINC000022171035 343043179 /nfs/dbraw/zinc/04/31/79/343043179.db2.gz ARJLJEDVAZLVPJ-UHFFFAOYSA-N 1 0 242.344 1.222 50 0 BDAARO CC(C)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@](C)(C1)C2 ZINC000026442100 343105249 /nfs/dbraw/zinc/10/52/49/343105249.db2.gz JFVICDDTHSNTRJ-BETUJISGSA-N 1 0 210.365 1.964 50 0 biogenic BDAARO Nc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000029753659 343146550 /nfs/dbraw/zinc/14/65/50/343146550.db2.gz CXNIVSBILMGSCQ-UHFFFAOYSA-N 1 0 247.342 1.485 50 0 BDAARO C[NH+]1CCC(O)(c2ccc(Cl)nc2)CC1 ZINC000027657092 343123346 /nfs/dbraw/zinc/12/33/46/343123346.db2.gz VFEQGPWOWNVVQB-UHFFFAOYSA-N 1 0 226.707 1.648 50 0 BDAARO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1C(=O)C[NH3+] ZINC000237535868 136272207 /nfs/dbraw/zinc/27/22/07/136272207.db2.gz MBSGPBMSGZVDSU-GYSYKLTISA-N 1 0 248.326 1.322 50 0 BDAARO Cc1nc[nH]c1[C@@H]1Nc2cccc(C)c2C(=O)N1 ZINC000072302520 343241809 /nfs/dbraw/zinc/24/18/09/343241809.db2.gz UGHOJGRNONKRMC-GFCCVEGCSA-N 1 0 242.282 1.881 50 0 BDAARO Cc1nc[nH]c1[C@H]1Nc2cccc(C)c2C(=O)N1 ZINC000072302521 343241965 /nfs/dbraw/zinc/24/19/65/343241965.db2.gz UGHOJGRNONKRMC-LBPRGKRZSA-N 1 0 242.282 1.881 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000033427046 343253844 /nfs/dbraw/zinc/25/38/44/343253844.db2.gz VULSMDXXURYDON-MRVPVSSYSA-N 1 0 241.132 1.987 50 0 BDAARO C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000034255583 343267717 /nfs/dbraw/zinc/26/77/17/343267717.db2.gz HHSQLKWLJFVEAT-ZDUSSCGKSA-N 1 0 204.317 1.857 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000034543196 343274539 /nfs/dbraw/zinc/27/45/39/343274539.db2.gz ALMOVYPHTUAJRX-VIFPVBQESA-N 1 0 210.664 1.404 50 0 BDAARO c1cn(-c2ccccc2C[NH2+][C@@H]2CCOC2)cn1 ZINC000088688229 343276241 /nfs/dbraw/zinc/27/62/41/343276241.db2.gz XFDLOLSRHSYISQ-CYBMUJFWSA-N 1 0 243.310 1.751 50 0 BDAARO Clc1ccc2nc(N3CC[NH2+]CC3)oc2c1 ZINC000034924855 343280272 /nfs/dbraw/zinc/28/02/72/343280272.db2.gz ODZNQUZKQXEWIX-UHFFFAOYSA-N 1 0 237.690 1.891 50 0 BDAARO CSc1ccc([C@H](C[NH3+])N(C)C)cc1 ZINC000034938066 343281197 /nfs/dbraw/zinc/28/11/97/343281197.db2.gz DCASTUBNJWSRPB-NSHDSACASA-N 1 0 210.346 1.970 50 0 BDAARO COC(=O)C[C@H](C)[NH2+]Cc1ccccc1 ZINC000035747602 343303632 /nfs/dbraw/zinc/30/36/32/343303632.db2.gz BNNDKMWWUARZGQ-JTQLQIEISA-N 1 0 207.273 1.728 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000037083413 343333055 /nfs/dbraw/zinc/33/30/55/343333055.db2.gz HSZUFHVLTQMLAL-RYUDHWBXSA-N 1 0 224.348 1.777 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH3+] ZINC000036378474 343316973 /nfs/dbraw/zinc/31/69/73/343316973.db2.gz PAXDIBGWURAVIH-SFYZADRCSA-N 1 0 200.282 1.391 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000036379917 343317307 /nfs/dbraw/zinc/31/73/07/343317307.db2.gz HODGRZURVLFVKM-LPEHRKFASA-N 1 0 226.320 1.509 50 0 BDAARO [NH3+][C@@H](CO)c1cccc(Br)c1 ZINC000038124676 343371605 /nfs/dbraw/zinc/37/16/05/343371605.db2.gz NWQRKZFQSCBVEY-QMMMGPOBSA-N 1 0 216.078 1.441 50 0 BDAARO [NH3+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000038284827 343373767 /nfs/dbraw/zinc/37/37/67/343373767.db2.gz VDSDJJOPJXUSMV-QMMMGPOBSA-N 1 0 210.664 1.404 50 0 BDAARO O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038478383 343375189 /nfs/dbraw/zinc/37/51/89/343375189.db2.gz FDIWYIFTXYRORN-QWHCGFSZSA-N 1 0 248.301 1.361 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CCC[NH2+]C2 ZINC000038530188 343376583 /nfs/dbraw/zinc/37/65/83/343376583.db2.gz ZEYUNZHFLQBWNJ-UHFFFAOYSA-N 1 0 226.320 1.607 50 0 BDAARO COc1cc(Br)ccc1C[NH3+] ZINC000037475485 343346616 /nfs/dbraw/zinc/34/66/16/343346616.db2.gz GCDXWVWSBBYXKW-UHFFFAOYSA-N 1 0 216.078 1.916 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000039093808 343381861 /nfs/dbraw/zinc/38/18/61/343381861.db2.gz NZEPWAXJSWYEDV-SECBINFHSA-N 1 0 214.309 1.653 50 0 BDAARO CN(CC[NH3+])C(=O)OCc1ccccc1 ZINC000039952159 343393700 /nfs/dbraw/zinc/39/37/00/343393700.db2.gz BEIBNZUDHJCOKR-UHFFFAOYSA-N 1 0 208.261 1.214 50 0 BDAARO C[C@@H](O)CCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000040165611 343397888 /nfs/dbraw/zinc/39/78/88/343397888.db2.gz FPBDOTJZROIZOG-MRVPVSSYSA-N 1 0 219.288 1.849 50 0 BDAARO O=C(OCC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000042768455 343451198 /nfs/dbraw/zinc/45/11/98/343451198.db2.gz MTTVICVLCOLFDS-JTQLQIEISA-N 1 0 223.272 1.969 50 0 BDAARO Clc1cc(OCCC2CC[NH2+]CC2)ncn1 ZINC000042774087 343452269 /nfs/dbraw/zinc/45/22/69/343452269.db2.gz UEFPFUCAKCKZIX-UHFFFAOYSA-N 1 0 241.722 1.899 50 0 BDAARO Clc1cc(OC[C@H]2CC[NH2+]C2)ncn1 ZINC000042774110 343452311 /nfs/dbraw/zinc/45/23/11/343452311.db2.gz ITYSMWSRPZGNIP-ZETCQYMHSA-N 1 0 213.668 1.118 50 0 BDAARO Clc1cc(OC[C@@H]2CC[NH2+]C2)ncn1 ZINC000042774107 343452571 /nfs/dbraw/zinc/45/25/71/343452571.db2.gz ITYSMWSRPZGNIP-SSDOTTSWSA-N 1 0 213.668 1.118 50 0 BDAARO Fc1ccc(CO[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000042782978 343453122 /nfs/dbraw/zinc/45/31/22/343453122.db2.gz FPDUPDWIPPINDH-SNVBAGLBSA-N 1 0 213.227 1.843 50 0 BDAARO CN(CC1CCOCC1)c1ccc(C[NH3+])cn1 ZINC000042783588 343453598 /nfs/dbraw/zinc/45/35/98/343453598.db2.gz WFESMLGKKYXPNN-UHFFFAOYSA-N 1 0 235.331 1.403 50 0 BDAARO O=c1[nH]ccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000044136871 343493031 /nfs/dbraw/zinc/49/30/31/343493031.db2.gz RGSOMLGEDNNJIO-UHFFFAOYSA-N 1 0 240.306 1.933 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC12C[NH2+]C2 ZINC000044137632 343493144 /nfs/dbraw/zinc/49/31/44/343493144.db2.gz XKASCTCECDLMSI-UHFFFAOYSA-N 1 0 212.293 1.359 50 0 BDAARO CCc1nc(COC[C@@H]2CCC[NH2+]C2)no1 ZINC000051815590 343629146 /nfs/dbraw/zinc/62/91/46/343629146.db2.gz LIHBFRFFFGSLPG-SECBINFHSA-N 1 0 225.292 1.148 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@H]2[NH3+] ZINC000198793780 537802409 /nfs/dbraw/zinc/80/24/09/537802409.db2.gz HGLKMYOTFGKEDG-XHNCKOQMSA-N 1 0 212.293 1.343 50 0 BDAARO C[N@@H+]1CC=C(c2ccccc2)[C@H](CO)C1 ZINC000000525626 346977467 /nfs/dbraw/zinc/97/74/67/346977467.db2.gz XEKJYZSYCTXLJX-LBPRGKRZSA-N 1 0 203.285 1.624 50 0 biogenic BDAARO O=C1N(Cc2ccccc2)CCC[C@@]12CC[NH2+]C2 ZINC000096675818 343875191 /nfs/dbraw/zinc/87/51/91/343875191.db2.gz OZTHTGCWHXURCN-HNNXBMFYSA-N 1 0 244.338 1.789 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000157944021 344128525 /nfs/dbraw/zinc/12/85/25/344128525.db2.gz GAVNXSZTDMQMMB-XUIVZRPNSA-N 1 0 231.299 1.045 50 0 BDAARO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CO)c1 ZINC000585136570 344148750 /nfs/dbraw/zinc/14/87/50/344148750.db2.gz KZLQSDZAYNIHGK-ZWNOBZJWSA-N 1 0 248.326 1.049 50 0 BDAARO COC(=O)C[C@H](C[NH3+])c1ccccc1OC ZINC000004811720 344274591 /nfs/dbraw/zinc/27/45/91/344274591.db2.gz HZLPWKSRUBDMFI-SECBINFHSA-N 1 0 223.272 1.301 50 0 BDAARO CC1(C)CN(c2cc[nH+]cc2)C[C@]1(C)O ZINC000091915513 344286524 /nfs/dbraw/zinc/28/65/24/344286524.db2.gz XEEDOMXRJJVHRA-LBPRGKRZSA-N 1 0 206.289 1.679 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000095223303 344333814 /nfs/dbraw/zinc/33/38/14/344333814.db2.gz DGPJTESPWRLSFV-ZDUSSCGKSA-N 1 0 219.332 1.656 50 0 BDAARO Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000084933946 178672959 /nfs/dbraw/zinc/67/29/59/178672959.db2.gz WEDPBVRSZJGXJV-LLVKDONJSA-N 1 0 209.264 1.701 50 0 BDAARO COC(=O)C[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000004859902 344745321 /nfs/dbraw/zinc/74/53/21/344745321.db2.gz MLCSAVAZPSLPIN-GXSJLCMTSA-N 1 0 207.273 1.681 50 0 BDAARO OC[C@@H]1CCCN1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000252510973 345537470 /nfs/dbraw/zinc/53/74/70/345537470.db2.gz CMYSWGZBOWGVBG-KGLIPLIRSA-N 1 0 238.375 1.318 50 0 BDAARO CC1(C)C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C(C)(C)O1 ZINC000183586742 345939009 /nfs/dbraw/zinc/93/90/09/345939009.db2.gz GNPQVBONRZOYSL-QJPTWQEYSA-N 1 0 239.359 1.859 50 0 BDAARO Cc1ccc2c(c1)N[C@@H](CNC(N)=[NH2+])CC2 ZINC000002439465 178947571 /nfs/dbraw/zinc/94/75/71/178947571.db2.gz BRSYGSLMHVKRGL-SNVBAGLBSA-N 1 0 218.304 1.205 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000685939516 537928983 /nfs/dbraw/zinc/92/89/83/537928983.db2.gz NFLYKUNPBFDIJV-HTOAHKCRSA-N 1 0 248.370 1.585 50 0 BDAARO Cc1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1F ZINC000084945473 179024312 /nfs/dbraw/zinc/02/43/12/179024312.db2.gz ZGFOCXPPTMDJCG-JTQLQIEISA-N 1 0 236.290 1.616 50 0 BDAARO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1F ZINC000084945471 179022254 /nfs/dbraw/zinc/02/22/54/179022254.db2.gz ZGFOCXPPTMDJCG-SNVBAGLBSA-N 1 0 236.290 1.616 50 0 BDAARO Cc1cccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c1O ZINC000067855537 179022515 /nfs/dbraw/zinc/02/25/15/179022515.db2.gz QRAMYMBMCGRVHN-NXEZZACHSA-N 1 0 234.299 1.310 50 0 BDAARO Cc1cccc(C)c1OC1CN(C(=O)[C@H](C)[NH3+])C1 ZINC000091656543 179044688 /nfs/dbraw/zinc/04/46/88/179044688.db2.gz SBLIWCAQBUYUDN-NSHDSACASA-N 1 0 248.326 1.240 50 0 BDAARO Cc1cccc(C[NH2+]C[C@@H]2CN(C)CCO2)c1C ZINC000105472532 179093734 /nfs/dbraw/zinc/09/37/34/179093734.db2.gz WTQBGDBKFOGCLV-OAHLLOKOSA-N 1 0 248.370 1.724 50 0 BDAARO CC[NH+](CC)CCCNC(=O)C(C)(C)C ZINC000002743622 346531983 /nfs/dbraw/zinc/53/19/83/346531983.db2.gz YIMXTZYDRHQXFY-UHFFFAOYSA-N 1 0 214.353 1.881 50 0 BDAARO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000011805370 179139116 /nfs/dbraw/zinc/13/91/16/179139116.db2.gz QILVMVSMHKJUDZ-VIFPVBQESA-N 1 0 205.261 1.081 50 0 BDAARO Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019409490 179140470 /nfs/dbraw/zinc/14/04/70/179140470.db2.gz PTKSINOHCHYASA-LLVKDONJSA-N 1 0 204.273 1.686 50 0 BDAARO Cc1cccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000188189110 179141001 /nfs/dbraw/zinc/14/10/01/179141001.db2.gz HYSPUUVWZJONPZ-GXSJLCMTSA-N 1 0 222.263 1.634 50 0 BDAARO [NH3+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000036949533 346801097 /nfs/dbraw/zinc/80/10/97/346801097.db2.gz OPEIEIUCYFMKJD-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO Cc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000016580370 179249054 /nfs/dbraw/zinc/24/90/54/179249054.db2.gz RNBKPAXPLSFIBE-UHFFFAOYSA-N 1 0 232.327 1.819 50 0 BDAARO Cc1ccccc1C(C)(C)CNC(=O)[C@@H](C)[NH3+] ZINC000083910285 179253625 /nfs/dbraw/zinc/25/36/25/179253625.db2.gz PBVBSMHWQZULPZ-LLVKDONJSA-N 1 0 234.343 1.736 50 0 BDAARO CO[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000004126789 347663646 /nfs/dbraw/zinc/66/36/46/347663646.db2.gz JHNPINNCWRZNEN-NSHDSACASA-N 1 0 209.245 1.104 50 0 BDAARO Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000037489533 179279632 /nfs/dbraw/zinc/27/96/32/179279632.db2.gz GIZSAZMSNKEJAE-GFCCVEGCSA-N 1 0 218.300 1.363 50 0 BDAARO Cc1ccccc1C[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000019899717 179284474 /nfs/dbraw/zinc/28/44/74/179284474.db2.gz JORNZJMCIHKUAD-GFCCVEGCSA-N 1 0 239.340 1.272 50 0 BDAARO Cc1ccccc1NC(=O)C[NH2+]C(C)C ZINC000019274722 179299237 /nfs/dbraw/zinc/29/92/37/179299237.db2.gz RJPULRXQCFFMOO-UHFFFAOYSA-N 1 0 206.289 1.932 50 0 BDAARO Cc1ccccc1NC(=O)CSC1=[NH+]CCN1 ZINC000002597802 179299453 /nfs/dbraw/zinc/29/94/53/179299453.db2.gz XZRKKWNEIRUUBT-UHFFFAOYSA-N 1 0 249.339 1.626 50 0 BDAARO [NH3+][C@@H](C(=O)NC[C@@H]1CCCOC1)c1ccccc1 ZINC000038046109 348038883 /nfs/dbraw/zinc/03/88/83/348038883.db2.gz YXEAZUIVJHQOKF-WCQYABFASA-N 1 0 248.326 1.229 50 0 BDAARO Cc1cccnc1CN1CCC[NH2+]CC1 ZINC000022926566 179372314 /nfs/dbraw/zinc/37/23/14/179372314.db2.gz YYUIVFPKJXXEAG-UHFFFAOYSA-N 1 0 205.305 1.185 50 0 BDAARO C/C=C(/C)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000195543016 187396701 /nfs/dbraw/zinc/39/67/01/187396701.db2.gz ZBVJZEJMQVKKBM-WTKPLQERSA-N 1 0 210.321 1.681 50 0 BDAARO Cc1ccnc(SC[C@H]2CCC[NH2+]2)n1 ZINC000051332207 179465066 /nfs/dbraw/zinc/46/50/66/179465066.db2.gz GDPGVFXOWMFOIO-SECBINFHSA-N 1 0 209.318 1.629 50 0 BDAARO CC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000000093336 187407477 /nfs/dbraw/zinc/40/74/77/187407477.db2.gz XBGIGYSTIRRWKY-MRVPVSSYSA-N 1 0 211.261 1.954 50 0 BDAARO CC(=O)Nc1cccc(OCCC[NH3+])c1 ZINC000002565095 187410321 /nfs/dbraw/zinc/41/03/21/187410321.db2.gz FNUUHZHUYDAHBO-UHFFFAOYSA-N 1 0 208.261 1.373 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000020284009 187418733 /nfs/dbraw/zinc/41/87/33/187418733.db2.gz ZYZSDPIYLJWATM-GHMZBOCLSA-N 1 0 248.326 1.395 50 0 BDAARO OCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421803324 192384672 /nfs/dbraw/zinc/38/46/72/192384672.db2.gz QHSXKIUPFHWMGE-LBPRGKRZSA-N 1 0 220.316 1.301 50 0 BDAARO Cc1cccc(CC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000052136900 187436269 /nfs/dbraw/zinc/43/62/69/187436269.db2.gz XMTQDRLFCWDUIR-CQSZACIVSA-N 1 0 246.354 1.877 50 0 BDAARO CCCCNC(=O)NC[C@@](C)([NH3+])CC ZINC000725254861 538048521 /nfs/dbraw/zinc/04/85/21/538048521.db2.gz HKAOGQDPZGSQDM-JTQLQIEISA-N 1 0 201.314 1.213 50 0 BDAARO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)CO ZINC000063221110 180081412 /nfs/dbraw/zinc/08/14/12/180081412.db2.gz VPDQKEHESKNPOO-SSDOTTSWSA-N 1 0 205.261 1.480 50 0 BDAARO C[NH+](C)CCOC(=O)Nc1ccccc1 ZINC000000396556 187471676 /nfs/dbraw/zinc/47/16/76/187471676.db2.gz JFAUJCHETQAADB-UHFFFAOYSA-N 1 0 208.261 1.797 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179053991 188080452 /nfs/dbraw/zinc/08/04/52/188080452.db2.gz GUHDTDOVVAUIHT-HSBSLETESA-N 1 0 244.338 1.829 50 0 BDAARO Cc1ccc(OCC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000214031485 188086743 /nfs/dbraw/zinc/08/67/43/188086743.db2.gz ARQDGKGJLINZMT-GFCCVEGCSA-N 1 0 248.326 1.324 50 0 BDAARO CC(C)=CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000070004936 188111486 /nfs/dbraw/zinc/11/14/86/188111486.db2.gz SFLVGDDRWLACES-GFCCVEGCSA-N 1 0 212.337 1.215 50 0 BDAARO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH3+] ZINC000068593339 188129545 /nfs/dbraw/zinc/12/95/45/188129545.db2.gz PFHYJLHCIFWOCF-BDAKNGLRSA-N 1 0 244.335 1.706 50 0 BDAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC1 ZINC000065610846 188129609 /nfs/dbraw/zinc/12/96/09/188129609.db2.gz SBHTZQALICIJJA-LBPRGKRZSA-N 1 0 226.364 1.879 50 0 BDAARO C[N@H+](C1CCS(=O)(=O)CC1)[C@@H]1C=CCCC1 ZINC000079469700 538110631 /nfs/dbraw/zinc/11/06/31/538110631.db2.gz OFOJBGZVJPJGAL-LLVKDONJSA-N 1 0 243.372 1.604 50 0 BDAARO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)C1CC1 ZINC000073501150 188132180 /nfs/dbraw/zinc/13/21/80/188132180.db2.gz VGSOWOQFMHLTSY-CABZTGNLSA-N 1 0 218.300 1.601 50 0 BDAARO CC(C)c1cnc(CN(C)[C@@H]2CC[NH2+]C2)o1 ZINC000075767024 188133121 /nfs/dbraw/zinc/13/31/21/188133121.db2.gz NVUQGTZHHNXXOZ-SNVBAGLBSA-N 1 0 223.320 1.592 50 0 BDAARO CC(C)C[C@H](C)[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000048366630 188152875 /nfs/dbraw/zinc/15/28/75/188152875.db2.gz DETCWKVGBDEISD-KBPBESRZSA-N 1 0 242.407 1.810 50 0 BDAARO CC(=O)NCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000193121617 188174297 /nfs/dbraw/zinc/17/42/97/188174297.db2.gz IINRZBZLMMKGAA-JQWIXIFHSA-N 1 0 226.364 1.927 50 0 BDAARO CC(C)C[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236643035 188149315 /nfs/dbraw/zinc/14/93/15/188149315.db2.gz ROUWQVKJTDXUMH-NSHDSACASA-N 1 0 212.337 1.620 50 0 BDAARO CC(C)[NH+](CCNC(=O)C1CC1)C(C)C ZINC000054462807 188177420 /nfs/dbraw/zinc/17/74/20/188177420.db2.gz JNNVOCBYUOLCIA-UHFFFAOYSA-N 1 0 212.337 1.631 50 0 BDAARO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000221928837 188180009 /nfs/dbraw/zinc/18/00/09/188180009.db2.gz LOGZRUJGUSCLPH-AORWBKJGSA-N 1 0 248.301 1.789 50 0 BDAARO CC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000060191942 188183837 /nfs/dbraw/zinc/18/38/37/188183837.db2.gz JKCCWVVTQBVDNL-GFCCVEGCSA-N 1 0 204.273 1.179 50 0 BDAARO C([C@@H]1CCOC1)[N@@H+]1CCCSCC1 ZINC000095441988 188187270 /nfs/dbraw/zinc/18/72/70/188187270.db2.gz UDTFZUZGUULJBW-JTQLQIEISA-N 1 0 201.335 1.462 50 0 BDAARO CCc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000104315199 188216595 /nfs/dbraw/zinc/21/65/95/188216595.db2.gz GRWKKIIODVARMF-ZDUSSCGKSA-N 1 0 232.327 1.812 50 0 BDAARO Fc1ccccc1COC[C@H]1CC[NH2+]C1 ZINC000042771798 181013206 /nfs/dbraw/zinc/01/32/06/181013206.db2.gz FHSZKKHBMHSGKY-JTQLQIEISA-N 1 0 209.264 1.952 50 0 BDAARO CC[C@](C)(CCO)[NH2+]Cc1c[nH]nc1C ZINC000230221959 363299635 /nfs/dbraw/zinc/29/96/35/363299635.db2.gz XPHDPKNCKXILSE-LLVKDONJSA-N 1 0 211.309 1.359 50 0 BDAARO NC(=[NH2+])Cc1cccc(Br)c1 ZINC000019437260 181188407 /nfs/dbraw/zinc/18/84/07/181188407.db2.gz DYEFWNZFPCPHSM-UHFFFAOYSA-N 1 0 213.078 1.928 50 0 BDAARO NC(=[NH2+])NCCCOCC1CCCCC1 ZINC000095918045 181188961 /nfs/dbraw/zinc/18/89/61/181188961.db2.gz QBNSZRZXWKSLGG-UHFFFAOYSA-N 1 0 213.325 1.456 50 0 BDAARO NC(=[NH2+])NC[C@H](c1ccco1)N1CCCCC1 ZINC000058112061 181189000 /nfs/dbraw/zinc/18/90/00/181189000.db2.gz WSRPZALNMALADJ-SNVBAGLBSA-N 1 0 236.319 1.290 50 0 BDAARO NC(=[NH2+])c1ccc(I)cc1 ZINC000001439378 181194978 /nfs/dbraw/zinc/19/49/78/181194978.db2.gz YSNMPZJKYJCQAJ-UHFFFAOYSA-N 1 0 246.051 1.575 50 0 BDAARO [NH2+]=C(NCCOC1CCCCC1)NC1CC1 ZINC000070169108 181199270 /nfs/dbraw/zinc/19/92/70/181199270.db2.gz GULQVEOAMSFABP-UHFFFAOYSA-N 1 0 225.336 1.612 50 0 BDAARO CN(C)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000032513720 355549474 /nfs/dbraw/zinc/54/94/74/355549474.db2.gz JLOGRPLFDPCMET-GFCCVEGCSA-N 1 0 228.405 1.908 50 0 BDAARO NC1=Nc2nccc[n+]2Cc2ccccc21 ZINC000057375723 181206925 /nfs/dbraw/zinc/20/69/25/181206925.db2.gz LGBBYOOJMHKOCL-UHFFFAOYSA-N 1 0 210.240 1.254 50 0 BDAARO [NH2+]=C1SCCN1CC(=O)c1ccccc1 ZINC000000190006 181207167 /nfs/dbraw/zinc/20/71/67/181207167.db2.gz BWBNCWBMASOYQZ-UHFFFAOYSA-N 1 0 220.297 1.853 50 0 BDAARO [NH2+]=c1ccn(CC(=O)c2cccs2)cc1 ZINC000368069618 181210748 /nfs/dbraw/zinc/21/07/48/181210748.db2.gz NWWMVGPDWIMJRM-UHFFFAOYSA-N 1 0 218.281 1.912 50 0 BDAARO NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000060374338 181231164 /nfs/dbraw/zinc/23/11/64/181231164.db2.gz WDLQKODZVNQYKG-CYBMUJFWSA-N 1 0 232.327 1.569 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000048580406 181231491 /nfs/dbraw/zinc/23/14/91/181231491.db2.gz CDMAYADAXSCQMV-LLVKDONJSA-N 1 0 210.321 1.516 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000012865302 181232308 /nfs/dbraw/zinc/23/23/08/181232308.db2.gz DCVXIZALJXOJQN-LBPRGKRZSA-N 1 0 218.300 1.179 50 0 BDAARO NC(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000096441564 181232668 /nfs/dbraw/zinc/23/26/68/181232668.db2.gz DXDPHXUORYFDCX-ZDUSSCGKSA-N 1 0 248.326 1.010 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000097113835 181268111 /nfs/dbraw/zinc/26/81/11/181268111.db2.gz PAFZDPYUOHVBSR-NEPJUHHUSA-N 1 0 233.315 1.215 50 0 BDAARO NC(=O)[C@@H]1CCC[N@@H+]1CCc1cccs1 ZINC000071847155 181269865 /nfs/dbraw/zinc/26/98/65/181269865.db2.gz JMXPCNCHNANSMA-JTQLQIEISA-N 1 0 224.329 1.240 50 0 BDAARO COCC[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052097096 356369693 /nfs/dbraw/zinc/36/96/93/356369693.db2.gz FPRYDCSAKUEEMX-LBPRGKRZSA-N 1 0 209.289 1.130 50 0 BDAARO NC(=O)[C@@]1(CCCc2ccccn2)CCC[NH2+]1 ZINC000072343771 181275263 /nfs/dbraw/zinc/27/52/63/181275263.db2.gz GDLDQFTZWZESJD-CYBMUJFWSA-N 1 0 233.315 1.012 50 0 BDAARO C[C@H]1CC[N@H+](Cc2ccncc2F)[C@@H]1CO ZINC000336217514 134137819 /nfs/dbraw/zinc/13/78/19/134137819.db2.gz GFZILJXWWGWACE-JOYOIKCWSA-N 1 0 224.279 1.423 50 0 BDAARO COc1ccc2c(c1)[n+](=O)c1c(n2O)CCC1 ZINC000334156960 134154967 /nfs/dbraw/zinc/15/49/67/134154967.db2.gz JDGNBFVARFAIQU-UHFFFAOYSA-N 1 0 233.247 1.290 50 0 BDAARO NC(=[NH2+])NN=Cc1ccccc1Br ZINC000002043576 356953957 /nfs/dbraw/zinc/95/39/57/356953957.db2.gz AVXKQDSMHJFZGZ-UHFFFAOYSA-N 1 0 241.092 1.266 50 0 BDAARO CC/C=C\CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000390523167 357100560 /nfs/dbraw/zinc/10/05/60/357100560.db2.gz FYOCGYMPEGJKNM-OPVGQWETSA-N 1 0 224.348 1.976 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392392904 357150511 /nfs/dbraw/zinc/15/05/11/357150511.db2.gz WNAZYNKTBYHFMX-CZULRBLNSA-N 1 0 220.320 1.952 50 0 BDAARO C[C@H]1CCC[N@H+](Cc2cccnc2)[C@@H]1CO ZINC000089929845 360048664 /nfs/dbraw/zinc/04/86/64/360048664.db2.gz XRYVWTACDBRXSH-WCQYABFASA-N 1 0 220.316 1.674 50 0 BDAARO CC[C@H]1COCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000036322213 360909531 /nfs/dbraw/zinc/90/95/31/360909531.db2.gz RNRBTJUWPTUNSF-ZDUSSCGKSA-N 1 0 248.326 1.396 50 0 BDAARO Cc1ncccc1C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000170087180 361390470 /nfs/dbraw/zinc/39/04/70/361390470.db2.gz NSVWBVMSEPWJIW-NSHDSACASA-N 1 0 235.331 1.380 50 0 BDAARO [NH3+]C1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000055143883 181342428 /nfs/dbraw/zinc/34/24/28/181342428.db2.gz LSDWCISYDLHLGW-UHFFFAOYSA-N 1 0 239.340 1.730 50 0 BDAARO [NH3+]CC(=O)N(CC1CCCCC1)C1CC1 ZINC000037817809 181348909 /nfs/dbraw/zinc/34/89/09/181348909.db2.gz SVACPFPVCHETDV-UHFFFAOYSA-N 1 0 210.321 1.516 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000019488589 181355908 /nfs/dbraw/zinc/35/59/08/181355908.db2.gz BAJKMMMAUXOCGB-UHFFFAOYSA-N 1 0 234.177 1.482 50 0 BDAARO C[N@H+](C[C@H](O)C(F)(F)F)C1CCC(O)CC1 ZINC000225455372 370705721 /nfs/dbraw/zinc/70/57/21/370705721.db2.gz JHDSHQDQBGQVHW-HACHORDNSA-N 1 0 241.253 1.145 50 0 BDAARO [NH3+]CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000044512661 181363637 /nfs/dbraw/zinc/36/36/37/181363637.db2.gz ULLHPCHEYSCROH-UHFFFAOYSA-N 1 0 224.348 1.764 50 0 BDAARO [NH3+]CCCCCC(=O)Nc1ccncc1 ZINC000003882561 181374301 /nfs/dbraw/zinc/37/43/01/181374301.db2.gz XEVJIEMTGAYMLW-UHFFFAOYSA-N 1 0 207.277 1.539 50 0 BDAARO [NH3+]CCCN(c1ccccc1)c1ncccn1 ZINC000037114701 181379432 /nfs/dbraw/zinc/37/94/32/181379432.db2.gz YTHMFMFRFQXILM-UHFFFAOYSA-N 1 0 228.299 1.964 50 0 BDAARO [NH3+]CCCCn1cc(Br)cn1 ZINC000038054127 181380293 /nfs/dbraw/zinc/38/02/93/181380293.db2.gz KUYDUMJRJZQDSS-UHFFFAOYSA-N 1 0 218.098 1.385 50 0 BDAARO [NH3+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000051870658 181384574 /nfs/dbraw/zinc/38/45/74/181384574.db2.gz ISDQAJKEWPOWEQ-UHFFFAOYSA-N 1 0 220.194 1.828 50 0 BDAARO [NH3+]CCNC(=O)Cc1cccc2ccccc21 ZINC000001736635 181394549 /nfs/dbraw/zinc/39/45/49/181394549.db2.gz OJWZEVNPRJDAME-UHFFFAOYSA-N 1 0 228.295 1.457 50 0 BDAARO [NH3+]CCNc1ccc(Br)cn1 ZINC000012648178 181398726 /nfs/dbraw/zinc/39/87/26/181398726.db2.gz CCZMVWFMHDTXQE-UHFFFAOYSA-N 1 0 216.082 1.215 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000019396172 181418717 /nfs/dbraw/zinc/41/87/17/181418717.db2.gz ZVSRKMYNSBZEDC-QMMMGPOBSA-N 1 0 249.232 1.695 50 0 BDAARO COc1cc(=[NH2+])cnn1-c1ccccc1 ZINC000103285050 368385297 /nfs/dbraw/zinc/38/52/97/368385297.db2.gz VXROHTDSRBRJLN-UHFFFAOYSA-N 1 0 201.229 1.360 50 0 in-man BDAARO O=c1cc(NCC2(C[NH+]3CCCC3)CC2)nc[nH]1 ZINC000584885046 369033217 /nfs/dbraw/zinc/03/32/17/369033217.db2.gz AYKXOIBNAPKIIT-UHFFFAOYSA-N 1 0 248.330 1.470 50 0 BDAARO Cc1nc2cc(C[NH2+][C@@H]3CCOC3)ccc2n1C ZINC000584898745 369045242 /nfs/dbraw/zinc/04/52/42/369045242.db2.gz WUJVFEIQBGHDKW-GFCCVEGCSA-N 1 0 245.326 1.760 50 0 BDAARO O=C(Nc1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000038436060 368987313 /nfs/dbraw/zinc/98/73/13/368987313.db2.gz PCXZBFXFLZIFEN-ZDUSSCGKSA-N 1 0 230.311 1.967 50 0 BDAARO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000106030541 369077444 /nfs/dbraw/zinc/07/74/44/369077444.db2.gz VNWBMBRMGGSPLD-NWDGAFQWSA-N 1 0 226.364 1.879 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccco1 ZINC000044541620 181456662 /nfs/dbraw/zinc/45/66/62/181456662.db2.gz CSANJIBJQHOPOZ-SECBINFHSA-N 1 0 208.261 1.233 50 0 BDAARO COC[C@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000328628449 371133102 /nfs/dbraw/zinc/13/31/02/371133102.db2.gz HGUUBDMWIBRJHG-WDEREUQCSA-N 1 0 223.320 1.070 50 0 BDAARO [NH3+][C@@H]1CN(Cc2ccccc2)C(=O)C12CC2 ZINC000034546371 181595922 /nfs/dbraw/zinc/59/59/22/181595922.db2.gz LHEHAUPMESDYCV-LLVKDONJSA-N 1 0 216.284 1.136 50 0 BDAARO Cn1cc([C@H]2OCC[C@H]2C[NH2+]CC2CC2)cn1 ZINC000095402029 371278848 /nfs/dbraw/zinc/27/88/48/371278848.db2.gz ATMXUXSTBKTZST-AAEUAGOBSA-N 1 0 235.331 1.497 50 0 BDAARO C[C@@H]1CN(c2ccc(Cl)nc2)C[C@@H](C)[NH2+]1 ZINC000095836920 371355753 /nfs/dbraw/zinc/35/57/53/371355753.db2.gz HMGIKTJUTOBGAG-RKDXNWHRSA-N 1 0 225.723 1.922 50 0 BDAARO COC(=O)NCCCC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000096027393 371378450 /nfs/dbraw/zinc/37/84/50/371378450.db2.gz FWERZICOLISZGX-PHIMTYICSA-N 1 0 228.336 1.995 50 0 BDAARO COC(=O)NCCCC[NH2+]C(C)(C)C ZINC000096027332 371382253 /nfs/dbraw/zinc/38/22/53/371382253.db2.gz NSOVGVSDAQYPDX-UHFFFAOYSA-N 1 0 202.298 1.511 50 0 BDAARO CN(C)C(=[NH2+])C[C@@H](O)C(Cl)(Cl)Cl ZINC000096027411 371382624 /nfs/dbraw/zinc/38/26/24/371382624.db2.gz SWXIGJQFCRALOK-SCSAIBSYSA-N 1 0 233.526 1.646 50 0 BDAARO O=C(CCC(F)(F)F)NCC[NH2+]C1CC1 ZINC000084124225 181898927 /nfs/dbraw/zinc/89/89/27/181898927.db2.gz LYFCBUSLMZAWHP-UHFFFAOYSA-N 1 0 224.226 1.197 50 0 BDAARO CN1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040672742 373590601 /nfs/dbraw/zinc/59/06/01/373590601.db2.gz WMTDYWOKJRZSIB-LLVKDONJSA-N 1 0 214.378 1.566 50 0 BDAARO O=C(NCCC[NH+]1CCCC1)c1ccco1 ZINC000013648860 182167087 /nfs/dbraw/zinc/16/70/87/182167087.db2.gz OWGHZLZQDIAHTO-UHFFFAOYSA-N 1 0 222.288 1.495 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)c1cnccn1 ZINC000040510065 182187083 /nfs/dbraw/zinc/18/70/83/182187083.db2.gz FMVXVONOLXLSMA-UHFFFAOYSA-N 1 0 248.330 1.082 50 0 BDAARO CC(C)[NH+]1CCN(c2cc(CO)ccn2)CC1 ZINC000040878525 373853657 /nfs/dbraw/zinc/85/36/57/373853657.db2.gz BYSIBGMHDGXHBC-UHFFFAOYSA-N 1 0 235.331 1.104 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)C1CCC1 ZINC000058394339 182185575 /nfs/dbraw/zinc/18/55/75/182185575.db2.gz RGPOXKGZSBOQHI-UHFFFAOYSA-N 1 0 224.348 1.779 50 0 BDAARO O=C(NCC[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000082487090 182202238 /nfs/dbraw/zinc/20/22/38/182202238.db2.gz KEHFBMCSDDWTBZ-SECBINFHSA-N 1 0 224.329 1.478 50 0 BDAARO O=C(NCc1ccccc1)C1CC[NH2+]CC1 ZINC000002555568 182255159 /nfs/dbraw/zinc/25/51/59/182255159.db2.gz KKXCMMIWHOYQCM-UHFFFAOYSA-N 1 0 218.300 1.302 50 0 BDAARO O=C(NCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070251843 182256167 /nfs/dbraw/zinc/25/61/67/182256167.db2.gz JSXMLZRAZZKYTC-ZDUSSCGKSA-N 1 0 244.338 1.693 50 0 BDAARO O=C(NCc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000011754387 182256687 /nfs/dbraw/zinc/25/66/87/182256687.db2.gz SXJUKWWQCOQQKI-NSHDSACASA-N 1 0 238.718 1.708 50 0 BDAARO Brc1cnc([C@H]2CCC[NH2+]C2)nc1 ZINC000070946905 374234221 /nfs/dbraw/zinc/23/42/21/374234221.db2.gz LUSUBOWVVQUTIJ-ZETCQYMHSA-N 1 0 242.120 1.706 50 0 BDAARO Brc1cnc([C@H]2CCC[NH2+]2)nc1 ZINC000070947360 374234374 /nfs/dbraw/zinc/23/43/74/374234374.db2.gz VRWNNUCLJLQNND-SSDOTTSWSA-N 1 0 228.093 1.664 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000070949959 182295077 /nfs/dbraw/zinc/29/50/77/182295077.db2.gz JWYCMJUCBBLWJE-MRVPVSSYSA-N 1 0 210.302 1.230 50 0 BDAARO O=C(N[C@@H]1CC[NH2+]C1)c1cc2ccccc2o1 ZINC000036286796 182304371 /nfs/dbraw/zinc/30/43/71/182304371.db2.gz WRZBRBLVFCIYMT-SNVBAGLBSA-N 1 0 230.267 1.525 50 0 BDAARO O=C(Nc1ccccc1)NC1CC[NH2+]CC1 ZINC000013471169 182375796 /nfs/dbraw/zinc/37/57/96/182375796.db2.gz SKBLRKMDOMTQQV-UHFFFAOYSA-N 1 0 219.288 1.560 50 0 BDAARO O=C(Nc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000008075030 182376588 /nfs/dbraw/zinc/37/65/88/182376588.db2.gz OMRRMLNZFJXOTG-JTQLQIEISA-N 1 0 204.273 1.625 50 0 BDAARO O=C(OCC1CC[NH2+]CC1)c1ccco1 ZINC000042768440 182601866 /nfs/dbraw/zinc/60/18/66/182601866.db2.gz XQIROVCHMFWIJT-UHFFFAOYSA-N 1 0 209.245 1.436 50 0 BDAARO O=C([C@H]1C[C@H]1c1ccccc1F)N1CC[NH2+]CC1 ZINC000038478377 182643952 /nfs/dbraw/zinc/64/39/52/182643952.db2.gz CQIWZIIWZMWNKV-RYUDHWBXSA-N 1 0 248.301 1.361 50 0 BDAARO O=S1(=O)CC=C(C[NH2+]Cc2ccccc2)C1 ZINC000003683867 182908051 /nfs/dbraw/zinc/90/80/51/182908051.db2.gz AGTPGCIXTOYYBM-UHFFFAOYSA-N 1 0 237.324 1.131 50 0 BDAARO CCOCCOCC[C@@H]1CCC[NH2+]C1 ZINC000042771610 170419755 /nfs/dbraw/zinc/41/97/55/170419755.db2.gz DELOHVRANFGRNX-NSHDSACASA-N 1 0 201.310 1.429 50 0 BDAARO OCCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000095348641 183054640 /nfs/dbraw/zinc/05/46/40/183054640.db2.gz MMOIQQKMWDUEJY-UHFFFAOYSA-N 1 0 235.327 1.954 50 0 BDAARO OCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000095426329 183062471 /nfs/dbraw/zinc/06/24/71/183062471.db2.gz CFOJKXPNQYOBAE-STQMWFEESA-N 1 0 227.348 1.650 50 0 BDAARO OCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000008731132 183076788 /nfs/dbraw/zinc/07/67/88/183076788.db2.gz KXSSEEPLNUNWMD-UHFFFAOYSA-N 1 0 234.343 1.233 50 0 BDAARO OC[C@@H](c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000038120804 183114850 /nfs/dbraw/zinc/11/48/50/183114850.db2.gz YJTOJOVMCKDLHS-LBPRGKRZSA-N 1 0 240.734 1.279 50 0 BDAARO OC[C@@H]1CCCCN1CC[NH2+]C1CCCC1 ZINC000065396104 183115878 /nfs/dbraw/zinc/11/58/78/183115878.db2.gz WZKKVDSCNWIRCX-ZDUSSCGKSA-N 1 0 226.364 1.365 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000000216911 183118976 /nfs/dbraw/zinc/11/89/76/183118976.db2.gz YAURVGQXKNCTQG-GFCCVEGCSA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000006535921 183110643 /nfs/dbraw/zinc/11/06/43/183110643.db2.gz FDPXMOAOGJCTDU-AAEUAGOBSA-N 1 0 221.300 1.007 50 0 BDAARO OC[C@@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000067847843 183133073 /nfs/dbraw/zinc/13/30/73/183133073.db2.gz OLNZFCULOMEIII-CQSZACIVSA-N 1 0 219.328 1.981 50 0 BDAARO OC[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1F ZINC000034927137 183127514 /nfs/dbraw/zinc/12/75/14/183127514.db2.gz QDJOTQAOTNWMDE-OIBJUYFYSA-N 1 0 229.682 1.774 50 0 BDAARO OC[C@H]1C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000098089094 183155950 /nfs/dbraw/zinc/15/59/50/183155950.db2.gz VWUALDZGFPMIST-GMSGAONNSA-N 1 0 213.227 1.260 50 0 BDAARO O[C@H](C[NH2+]CCc1ccccc1)C(F)(F)F ZINC000003884236 183223796 /nfs/dbraw/zinc/22/37/96/183223796.db2.gz MLJRBCBVNZITOI-SNVBAGLBSA-N 1 0 233.233 1.742 50 0 BDAARO O[C@H](C[NH2+]Cc1cccnc1)c1ccccc1 ZINC000020051641 183224375 /nfs/dbraw/zinc/22/43/75/183224375.db2.gz JIUIJJDCWPFUKB-CQSZACIVSA-N 1 0 228.295 1.905 50 0 BDAARO O[C@H](C[NH2+][C@H]1CCCSC1)c1ccncc1 ZINC000134815823 183225444 /nfs/dbraw/zinc/22/54/44/183225444.db2.gz BWPGBXWKTWWLHR-NWDGAFQWSA-N 1 0 238.356 1.600 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@@H]1C[C@H](OCC)C1(C)C ZINC000096419650 169110966 /nfs/dbraw/zinc/11/09/66/169110966.db2.gz JLFQTWKWPAQSQK-MNOVXSKESA-N 1 0 242.363 1.387 50 0 BDAARO O[C@]12CCC[NH2+][C@@H]1c1ccccc1CC2 ZINC000071773143 183253106 /nfs/dbraw/zinc/25/31/06/183253106.db2.gz TUNXXKUKSSFOOH-OLZOCXBDSA-N 1 0 203.285 1.788 50 0 BDAARO CCCN(CCc1ccccn1)C(=O)[C@@H](C)[NH3+] ZINC000157227301 169170586 /nfs/dbraw/zinc/17/05/86/169170586.db2.gz BMPWDBNGWLVVRI-LLVKDONJSA-N 1 0 235.331 1.210 50 0 BDAARO S=c1[nH]nc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000060276625 183314934 /nfs/dbraw/zinc/31/49/34/183314934.db2.gz VUVPDJDBDLPITM-ZETCQYMHSA-N 1 0 224.333 1.743 50 0 BDAARO CCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000003683575 169186429 /nfs/dbraw/zinc/18/64/29/169186429.db2.gz SMSPMCMDIXHWAP-UHFFFAOYSA-N 1 0 212.337 1.193 50 0 BDAARO CCC[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000016602798 169187886 /nfs/dbraw/zinc/18/78/86/169187886.db2.gz JQFHAOZZHFLRCS-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO c1c[nH]c(SCC[NH+]2CCCCC2)n1 ZINC000078990172 183327875 /nfs/dbraw/zinc/32/78/75/183327875.db2.gz ZFHAHXCTJNKURI-UHFFFAOYSA-N 1 0 211.334 1.988 50 0 BDAARO c1cc(CN2CC[NH2+]CC2)cc2c1CCC2 ZINC000052860934 183367659 /nfs/dbraw/zinc/36/76/59/183367659.db2.gz FVJCHMFTMNEUHK-UHFFFAOYSA-N 1 0 216.328 1.581 50 0 BDAARO c1cc2c(cc1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000003410625 183370627 /nfs/dbraw/zinc/37/06/27/183370627.db2.gz LSNPFVDQLTUQCE-JTQLQIEISA-N 1 0 205.257 1.882 50 0 BDAARO CCCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000002134510 169243844 /nfs/dbraw/zinc/24/38/44/169243844.db2.gz CVCDKHDTHVZZKC-LBPRGKRZSA-N 1 0 245.326 1.564 50 0 biogenic BDAARO c1ccc(-c2nc([C@@H]3CC[NH2+]C3)no2)nc1 ZINC000169676346 183382393 /nfs/dbraw/zinc/38/23/93/183382393.db2.gz WMOAUNZXFBADQD-MRVPVSSYSA-N 1 0 216.244 1.209 50 0 BDAARO c1nnc(-c2ccccc2)n1C1CC[NH2+]CC1 ZINC000039628578 183384528 /nfs/dbraw/zinc/38/45/28/183384528.db2.gz SRQWWKWYELILSI-UHFFFAOYSA-N 1 0 228.299 1.870 50 0 BDAARO c1ccc(-c2nnc([C@H]3CC[NH2+]C3)o2)cc1 ZINC000049169276 183384876 /nfs/dbraw/zinc/38/48/76/183384876.db2.gz UXHYPPDARVUYRX-JTQLQIEISA-N 1 0 215.256 1.814 50 0 BDAARO CCCO[C@@H](C)C[NH2+]C1CCN(C(C)=O)CC1 ZINC000065420343 169311322 /nfs/dbraw/zinc/31/13/22/169311322.db2.gz NUBUFDFKMZLVRX-NSHDSACASA-N 1 0 242.363 1.402 50 0 BDAARO CCCO[C@H]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000236900842 169311736 /nfs/dbraw/zinc/31/17/36/169311736.db2.gz QBZZMTCIDABNNJ-LBPRGKRZSA-N 1 0 242.363 1.533 50 0 BDAARO CCCOc1ccc(OC2C[NH2+]C2)cc1 ZINC000042769972 169320948 /nfs/dbraw/zinc/32/09/48/169320948.db2.gz GPQROALGZYAKFI-UHFFFAOYSA-N 1 0 207.273 1.826 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000036872621 169387825 /nfs/dbraw/zinc/38/78/25/169387825.db2.gz CXTITQMOQKFTEG-SNVBAGLBSA-N 1 0 238.356 1.760 50 0 BDAARO c1cnnc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000242701931 183502891 /nfs/dbraw/zinc/50/28/91/183502891.db2.gz WTDQREQVKVQPIA-ULKQDVFKSA-N 1 0 205.261 1.138 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccnc1 ZINC000036873259 169390482 /nfs/dbraw/zinc/39/04/82/169390482.db2.gz ANNWVDZUVCNFRL-GXSJLCMTSA-N 1 0 221.304 1.386 50 0 BDAARO c1csc(CC[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069652334 183515731 /nfs/dbraw/zinc/51/57/31/183515731.db2.gz ALLROTHVKGWXEN-JTQLQIEISA-N 1 0 248.355 1.487 50 0 BDAARO CCOCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000077448860 535457077 /nfs/dbraw/zinc/45/70/77/535457077.db2.gz NTZQRKAGPPGBGS-NSHDSACASA-N 1 0 240.347 1.014 50 0 BDAARO CCCc1c(N)nc(C([NH3+])(CC)CC)[nH]c1=O ZINC000071859352 169560915 /nfs/dbraw/zinc/56/09/15/169560915.db2.gz PVEBQCMDKNEHGT-UHFFFAOYSA-N 1 0 238.335 1.279 50 0 BDAARO CCCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000082098050 169563568 /nfs/dbraw/zinc/56/35/68/169563568.db2.gz CWCPINWCPUHAJJ-AOOOYVTPSA-N 1 0 249.314 1.204 50 0 BDAARO CCCc1nc(C)cc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000065508073 169586749 /nfs/dbraw/zinc/58/67/49/169586749.db2.gz VOHIJMVYNQULDM-GFCCVEGCSA-N 1 0 248.374 1.878 50 0 BDAARO CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NC)o1 ZINC000000186796 383843227 /nfs/dbraw/zinc/84/32/27/383843227.db2.gz WQPHBGZERRNIRG-MRVPVSSYSA-N 1 0 210.277 1.527 50 0 BDAARO c1ccc2sc(N3CC[NH2+]CC3)nc2c1 ZINC000000242024 383847519 /nfs/dbraw/zinc/84/75/19/383847519.db2.gz LLQMZXMBCQNMJV-UHFFFAOYSA-N 1 0 219.313 1.706 50 0 BDAARO COC(=O)c1cc(Br)c[n+](C)c1 ZINC000000335014 383855545 /nfs/dbraw/zinc/85/55/45/383855545.db2.gz FPVYJIRSSKHKLK-UHFFFAOYSA-N 1 0 231.069 1.060 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]C[C@H]1F ZINC000066339529 383857170 /nfs/dbraw/zinc/85/71/70/383857170.db2.gz MPIIBGAKGQZLDK-SFYZADRCSA-N 1 0 218.272 1.211 50 0 BDAARO [NH3+]CCn1cc(NC(=O)c2ccccc2)cn1 ZINC000035605826 383861432 /nfs/dbraw/zinc/86/14/32/383861432.db2.gz NQKXXOBFNYTUGG-UHFFFAOYSA-N 1 0 230.271 1.094 50 0 BDAARO C1C[NH2+]C[C@@H](c2nc(C3CCOCC3)no2)C1 ZINC000087810441 383866457 /nfs/dbraw/zinc/86/64/57/383866457.db2.gz PCDLGYHEJNUIQS-JTQLQIEISA-N 1 0 237.303 1.431 50 0 BDAARO CC[C@@H]1CCCCCN1C(=O)CCC[NH3+] ZINC000158312938 383866728 /nfs/dbraw/zinc/86/67/28/383866728.db2.gz DQUXLSFGIWWLKJ-LLVKDONJSA-N 1 0 212.337 1.907 50 0 BDAARO CC(C)c1noc(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000091481594 383918081 /nfs/dbraw/zinc/91/80/81/383918081.db2.gz BXPDKYQZGRIWKQ-JTQLQIEISA-N 1 0 238.335 1.945 50 0 BDAARO CCC[C@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000067559973 383929177 /nfs/dbraw/zinc/92/91/77/383929177.db2.gz MWVNIELGJUGMIG-ZDUSSCGKSA-N 1 0 232.327 1.863 50 0 BDAARO Cc1ccccc1NC(=O)N1CC[NH2+]CC1 ZINC000000873719 383883940 /nfs/dbraw/zinc/88/39/40/383883940.db2.gz WLBYPRUBXWTYBC-UHFFFAOYSA-N 1 0 219.288 1.432 50 0 BDAARO CC[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C ZINC000002572819 383978699 /nfs/dbraw/zinc/97/86/99/383978699.db2.gz USWVWJSAJAEEHQ-JTQLQIEISA-N 1 0 207.273 1.956 50 0 in-vitro BDAARO Cc1ccc(CC(=O)N2CCCC[C@@H]2C[NH3+])cn1 ZINC000269224437 383948246 /nfs/dbraw/zinc/94/82/46/383948246.db2.gz UCTGVVAYDNAAAE-CYBMUJFWSA-N 1 0 247.342 1.272 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCSC1 ZINC000037175075 383953842 /nfs/dbraw/zinc/95/38/42/383953842.db2.gz UOHQYWMZEIRKRG-NXEZZACHSA-N 1 0 230.377 1.324 50 0 BDAARO CNc1ncccc1CN(C)Cc1ncc[nH]1 ZINC000067883649 383957005 /nfs/dbraw/zinc/95/70/05/383957005.db2.gz ABXIISKGPQEFSL-UHFFFAOYSA-N 1 0 231.303 1.478 50 0 BDAARO [NH3+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000002513174 383969411 /nfs/dbraw/zinc/96/94/11/383969411.db2.gz DFTUTJWZDJHCGI-UHFFFAOYSA-N 1 0 219.693 1.072 50 0 BDAARO Cc1cc(C(F)(F)F)nn1C[C@H](C)[NH3+] ZINC000002537941 383973132 /nfs/dbraw/zinc/97/31/32/383973132.db2.gz BXFMAMDNAXJWKL-YFKPBYRVSA-N 1 0 207.199 1.558 50 0 BDAARO FC(F)(F)c1ccc(N2CCC[NH2+]CC2)nc1 ZINC000002566969 383975618 /nfs/dbraw/zinc/97/56/18/383975618.db2.gz IBMSHQVIAUTKDL-UHFFFAOYSA-N 1 0 245.248 1.900 50 0 BDAARO COCc1cccc(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237222907 384024169 /nfs/dbraw/zinc/02/41/69/384024169.db2.gz OSXNEGUFZJVNRX-NSHDSACASA-N 1 0 248.326 1.267 50 0 BDAARO CO[C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050438119 384042810 /nfs/dbraw/zinc/04/28/10/384042810.db2.gz AXYSJDJPWBQTDT-YPMHNXCESA-N 1 0 248.326 1.181 50 0 BDAARO [NH3+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000004207171 384044823 /nfs/dbraw/zinc/04/48/23/384044823.db2.gz KEKKRAXNERZNDG-UHFFFAOYSA-N 1 0 213.664 1.960 50 0 BDAARO [NH3+]CCc1nc(-c2ccccc2Cl)no1 ZINC000003882683 384031887 /nfs/dbraw/zinc/03/18/87/384031887.db2.gz CXAAHQWGWLGHOP-UHFFFAOYSA-N 1 0 223.663 1.891 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000135095979 384036809 /nfs/dbraw/zinc/03/68/09/384036809.db2.gz DCZNMGLJXQIYNR-VWYCJHECSA-N 1 0 244.404 1.571 50 0 BDAARO c1cnc(N2CCCC2)c(NC2CC[NH2+]CC2)c1 ZINC000038040925 384060108 /nfs/dbraw/zinc/06/01/08/384060108.db2.gz BJUUMCHZSGSVBG-UHFFFAOYSA-N 1 0 246.358 1.846 50 0 BDAARO Cc1ccc(C2=NO[C@H](C[NH3+])C2)cc1C ZINC000069978179 384070691 /nfs/dbraw/zinc/07/06/91/384070691.db2.gz IYCBCVFSFKGGHW-NSHDSACASA-N 1 0 204.273 1.755 50 0 BDAARO CCC(CC)C[N@@H+]1CCOCCNC(=O)CC1 ZINC000257188310 384073374 /nfs/dbraw/zinc/07/33/74/384073374.db2.gz MNYLZPGQSFRUNJ-UHFFFAOYSA-N 1 0 242.363 1.261 50 0 BDAARO C[C@@H]1N(O)C(C)(C)C(c2ccco2)[N+]1=O ZINC000005091838 384101478 /nfs/dbraw/zinc/10/14/78/384101478.db2.gz OMBNLARJESJZCA-ZETCQYMHSA-N 1 0 210.233 1.408 50 0 BDAARO NNc1[nH+]cccc1-c1nc(C2CC2)no1 ZINC000070451572 384108988 /nfs/dbraw/zinc/10/89/88/384108988.db2.gz JCQLKJUOLDOXKV-UHFFFAOYSA-N 1 0 217.232 1.295 50 0 BDAARO CC(=O)C(C)(C)NCC(=O)c1ccccc1 ZINC000039408666 384113316 /nfs/dbraw/zinc/11/33/16/384113316.db2.gz SRTXGWAPHZGKCO-UHFFFAOYSA-N 1 0 219.284 1.827 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(CC[C@H]2[NH3+])C1 ZINC000091305062 384117211 /nfs/dbraw/zinc/11/72/11/384117211.db2.gz UXISSJKZFYQLHL-MRVPVSSYSA-N 1 0 212.293 1.345 50 0 BDAARO CN(C)[C@H]1C[N@@H+](C2CCOCC2)C[C@@H]1C1CC1 ZINC000091426573 384125971 /nfs/dbraw/zinc/12/59/71/384125971.db2.gz ODDQERMOQVWPEG-KGLIPLIRSA-N 1 0 238.375 1.437 50 0 BDAARO C[NH+](C)CCNc1cc(Cl)ncn1 ZINC000040422356 384151485 /nfs/dbraw/zinc/15/14/85/384151485.db2.gz MFGSAWIQFXNODI-UHFFFAOYSA-N 1 0 200.673 1.104 50 0 BDAARO CC(C)(C)OC(=O)[C@H]1[NH2+]C[C@@H]2CCC[C@@H]21 ZINC000071257227 384156282 /nfs/dbraw/zinc/15/62/82/384156282.db2.gz NEKNRPZRUGJBHN-GUBZILKMSA-N 1 0 211.305 1.716 50 0 in-vitro BDAARO C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C[NH3+])C1 ZINC000237357041 384157338 /nfs/dbraw/zinc/15/73/38/384157338.db2.gz ZJTOIHUYCZTUFV-BXKDBHETSA-N 1 0 236.290 1.694 50 0 BDAARO CC[N@@H+](CC(=O)NCc1ccccn1)CC1CC1 ZINC000071904337 384144431 /nfs/dbraw/zinc/14/44/31/384144431.db2.gz UKWSWQUZQYHPKX-UHFFFAOYSA-N 1 0 247.342 1.430 50 0 BDAARO Cc1cnc([C@H](C)N2CC[NH2+]CC2)s1 ZINC000070996255 384145526 /nfs/dbraw/zinc/14/55/26/384145526.db2.gz TVEVWFQZSAVYHP-VIFPVBQESA-N 1 0 211.334 1.418 50 0 BDAARO CC(C)[C@@H]1CC[C@H](C)CC[N@@H+]1CC(N)=O ZINC000071910205 384159949 /nfs/dbraw/zinc/15/99/49/384159949.db2.gz VKVMQLRLDFGMLU-QWRGUYRKSA-N 1 0 212.337 1.618 50 0 BDAARO CNc1cc(C)nc(CC2CC[NH2+]CC2)n1 ZINC000072344493 384207134 /nfs/dbraw/zinc/20/71/34/384207134.db2.gz FSTVKXUAEJUKIK-UHFFFAOYSA-N 1 0 220.320 1.369 50 0 BDAARO CC(=O)c1cn(CC[NH3+])c2ccccc12 ZINC000072220572 384200464 /nfs/dbraw/zinc/20/04/64/384200464.db2.gz HBKKGMWOGUTFDF-UHFFFAOYSA-N 1 0 202.257 1.803 50 0 BDAARO CNc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072343751 384208881 /nfs/dbraw/zinc/20/88/81/384208881.db2.gz GQAWYOJREXLMFZ-SECBINFHSA-N 1 0 206.293 1.294 50 0 BDAARO CC(=O)c1ccccc1O[C@H]1CC[NH2+]C1 ZINC000042775774 384242706 /nfs/dbraw/zinc/24/27/06/384242706.db2.gz BRSKDOYCEFJIRZ-JTQLQIEISA-N 1 0 205.257 1.630 50 0 BDAARO c1ccc2c(c1)CCN2C[C@@H]1CC[NH2+]C1 ZINC000042783434 384244430 /nfs/dbraw/zinc/24/44/30/384244430.db2.gz AWHKFFSMZCYUBM-LLVKDONJSA-N 1 0 202.301 1.659 50 0 BDAARO C[C@@H]1C[C@H](OC[C@@H](O)C[NH3+])CC(C)(C)C1 ZINC000012377992 384316567 /nfs/dbraw/zinc/31/65/67/384316567.db2.gz KXHDTRSUOYXLSW-VWYCJHECSA-N 1 0 215.337 1.537 50 0 BDAARO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CCCNC1=O ZINC000097016689 384285666 /nfs/dbraw/zinc/28/56/66/384285666.db2.gz GCPNTOCWYVBWCI-NXEZZACHSA-N 1 0 244.404 1.775 50 0 BDAARO Cc1cnn(C)c1C[NH2+][C@H]1CC[C@H](F)C1 ZINC000335461475 384287734 /nfs/dbraw/zinc/28/77/34/384287734.db2.gz JVFVQWVLAHBIPG-UWVGGRQHSA-N 1 0 211.284 1.709 50 0 BDAARO CCCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210793 384366693 /nfs/dbraw/zinc/36/66/93/384366693.db2.gz LBYVHWXCOKDORT-GFCCVEGCSA-N 1 0 220.316 1.473 50 0 BDAARO C[C@H](O)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095419032 384374635 /nfs/dbraw/zinc/37/46/35/384374635.db2.gz PJMILUCFVQNPJP-GXFFZTMASA-N 1 0 237.368 1.987 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC000095742868 384393851 /nfs/dbraw/zinc/39/38/51/384393851.db2.gz VZWFLFITYZGQKZ-JTQLQIEISA-N 1 0 228.336 1.901 50 0 BDAARO C[NH+](C)CCOc1c(N)cccc1Cl ZINC000014629192 384396547 /nfs/dbraw/zinc/39/65/47/384396547.db2.gz OTUJFXFCHUKLHZ-UHFFFAOYSA-N 1 0 214.696 1.863 50 0 BDAARO C(C[C@@H]1CCCC[NH2+]1)OC[C@@H]1CCCO1 ZINC000014632319 384399373 /nfs/dbraw/zinc/39/93/73/384399373.db2.gz POLNDYKRIKKWTI-RYUDHWBXSA-N 1 0 213.321 1.714 50 0 BDAARO O=S(=O)(C[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000095908538 384405370 /nfs/dbraw/zinc/40/53/70/384405370.db2.gz WRGOZEXAFHVZMA-SNVBAGLBSA-N 1 0 231.361 1.486 50 0 BDAARO O=S(=O)(C[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000095908565 384406909 /nfs/dbraw/zinc/40/69/09/384406909.db2.gz MJVPZCMQCZEBAA-NSHDSACASA-N 1 0 245.388 1.876 50 0 BDAARO c1cnc(SCCC2CC[NH2+]CC2)nc1 ZINC000095908641 384407790 /nfs/dbraw/zinc/40/77/90/384407790.db2.gz YCYWHOHINUYDGB-UHFFFAOYSA-N 1 0 223.345 1.958 50 0 BDAARO CCc1ccc2c(c1)[C@H](CC[NH3+])C(=O)N2 ZINC000095939023 384417284 /nfs/dbraw/zinc/41/72/84/384417284.db2.gz VOPHTUOLZVICOY-VIFPVBQESA-N 1 0 204.273 1.634 50 0 BDAARO O=C(/C=C\c1cccs1)N1CC[NH2+]CC1 ZINC000082390105 384382900 /nfs/dbraw/zinc/38/29/00/384382900.db2.gz SLQIYDKYEFNIBT-ARJAWSKDSA-N 1 0 222.313 1.193 50 0 BDAARO CC(C)(C)OC(=O)Nc1ccc(C[NH3+])nc1 ZINC000095642475 384384482 /nfs/dbraw/zinc/38/44/82/384384482.db2.gz WBQMGWBRYRZREZ-UHFFFAOYSA-N 1 0 223.276 1.887 50 0 in-vitro BDAARO O=C1C[C@H]([NH2+]CC2CC2)C(=O)N1c1ccccc1 ZINC000095630531 384385302 /nfs/dbraw/zinc/38/53/02/384385302.db2.gz IWBWHDRBHANGBV-LBPRGKRZSA-N 1 0 244.294 1.318 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@H]2C[NH2+]C[C@@H]21 ZINC000095630806 384385535 /nfs/dbraw/zinc/38/55/35/384385535.db2.gz NNPUGWBVOYEPHV-NEPJUHHUSA-N 1 0 232.283 1.227 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C[NH3+] ZINC000095644192 384388299 /nfs/dbraw/zinc/38/82/99/384388299.db2.gz YSMVRMWNBGATCE-ZACCUICWSA-N 1 0 240.347 1.838 50 0 BDAARO O=C(OCc1ccccc1)[C@@H]1CCCCN1 ZINC000096320507 384454114 /nfs/dbraw/zinc/45/41/14/384454114.db2.gz RSEPHCRIRACQML-LBPRGKRZSA-N 1 0 219.284 1.872 50 0 BDAARO CS[C@H]1CCC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000097019182 384498739 /nfs/dbraw/zinc/49/87/39/384498739.db2.gz RVUVDZGWPBUKQR-UWVGGRQHSA-N 1 0 230.377 1.468 50 0 BDAARO c1ccc(OCCCCN2CC[NH2+]CC2)cc1 ZINC000019364914 384514955 /nfs/dbraw/zinc/51/49/55/384514955.db2.gz DYNWNUHSYNOCEW-UHFFFAOYSA-N 1 0 234.343 1.751 50 0 BDAARO Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000019276833 384516342 /nfs/dbraw/zinc/51/63/42/384516342.db2.gz PBZRSXZRJDXLLM-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO [NH3+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000019390193 384518680 /nfs/dbraw/zinc/51/86/80/384518680.db2.gz BPESNUOOYZRCQL-UHFFFAOYSA-N 1 0 244.294 1.998 50 0 BDAARO [NH3+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000019394673 384519332 /nfs/dbraw/zinc/51/93/32/384519332.db2.gz ACUHWQCMQXFLMX-UHFFFAOYSA-N 1 0 218.300 1.771 50 0 BDAARO C(=C/c1ccccc1)\C[NH2+]CCN1CCOCC1 ZINC000019871958 384549685 /nfs/dbraw/zinc/54/96/85/384549685.db2.gz HYRSJROMDFPZTK-QPJJXVBHSA-N 1 0 246.354 1.622 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000049648342 384553350 /nfs/dbraw/zinc/55/33/50/384553350.db2.gz ALMOVYPHTUAJRX-SECBINFHSA-N 1 0 210.664 1.404 50 0 BDAARO COc1ccc(OCc2noc(CC[NH3+])n2)cc1 ZINC000019786268 384537722 /nfs/dbraw/zinc/53/77/22/384537722.db2.gz LHMHOHLHJCWKJK-UHFFFAOYSA-N 1 0 249.270 1.158 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH3+])C2 ZINC000100055052 384613040 /nfs/dbraw/zinc/61/30/40/384613040.db2.gz NZJKEPNCNBWESN-ILWJIGKKSA-N 1 0 226.320 1.876 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000100295014 384630618 /nfs/dbraw/zinc/63/06/18/384630618.db2.gz HHYUNZXSGVNMOY-MYJAWHEDSA-N 1 0 226.320 1.509 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCC[C@H]21 ZINC000082359765 384674749 /nfs/dbraw/zinc/67/47/49/384674749.db2.gz XEDSJRNOTLOESP-NXEZZACHSA-N 1 0 226.320 1.748 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]C2(CCC2)C1 ZINC000082048676 384645345 /nfs/dbraw/zinc/64/53/45/384645345.db2.gz GBQBZVRVWHDCJI-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)C1CC1 ZINC000073501156 384649131 /nfs/dbraw/zinc/64/91/31/384649131.db2.gz VGSOWOQFMHLTSY-BXKDBHETSA-N 1 0 218.300 1.601 50 0 BDAARO CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000095452821 384658492 /nfs/dbraw/zinc/65/84/92/384658492.db2.gz SDPSGVJOTFDWEW-MNOVXSKESA-N 1 0 225.336 1.132 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000002513096 384659550 /nfs/dbraw/zinc/65/95/50/384659550.db2.gz SFAIJGZFZQBGLO-QWRGUYRKSA-N 1 0 239.702 1.816 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)n1 ZINC000080121027 384722240 /nfs/dbraw/zinc/72/22/40/384722240.db2.gz DRMMIDLVNJQEEW-GFCCVEGCSA-N 1 0 206.289 1.347 50 0 BDAARO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C ZINC000084718761 384763172 /nfs/dbraw/zinc/76/31/72/384763172.db2.gz KAIQBYOVFPSBLL-LBPRGKRZSA-N 1 0 236.315 1.974 50 0 BDAARO C[C@H]1CN(C(=O)CC[NH3+])c2ccc(F)cc2O1 ZINC000084788358 384766037 /nfs/dbraw/zinc/76/60/37/384766037.db2.gz XSTSEDVBDHXRTD-QMMMGPOBSA-N 1 0 238.262 1.288 50 0 BDAARO Cc1ccc(F)c(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000335011557 384771305 /nfs/dbraw/zinc/77/13/05/384771305.db2.gz VDSNZUBJOPVVCH-UHFFFAOYSA-N 1 0 222.263 1.682 50 0 BDAARO C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000053204610 384772683 /nfs/dbraw/zinc/77/26/83/384772683.db2.gz VNPQDMOAZXOFDM-JTQLQIEISA-N 1 0 236.319 1.131 50 0 BDAARO CC1(C(=O)Nc2ccc(F)cc2F)C[NH2+]C1 ZINC000335051591 384782505 /nfs/dbraw/zinc/78/25/05/384782505.db2.gz SPLYGJJHFONQFB-UHFFFAOYSA-N 1 0 226.226 1.513 50 0 BDAARO CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000104104866 384800158 /nfs/dbraw/zinc/80/01/58/384800158.db2.gz UPEHYGNWCKINHZ-UHFFFAOYSA-N 1 0 219.220 1.304 50 0 BDAARO [NH3+]Cc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000054744214 384850466 /nfs/dbraw/zinc/85/04/66/384850466.db2.gz ANQUTSWBIRNXME-UHFFFAOYSA-N 1 0 244.085 1.428 50 0 BDAARO CC[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCS1 ZINC000245339310 384960603 /nfs/dbraw/zinc/96/06/03/384960603.db2.gz RXESVYREDFPZJP-UWVGGRQHSA-N 1 0 228.361 1.045 50 0 BDAARO C/C=C/C=C/C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000095440480 384901168 /nfs/dbraw/zinc/90/11/68/384901168.db2.gz PECHLAUPQHIOCE-WBLVSINRSA-N 1 0 222.332 1.670 50 0 BDAARO CCN(CC)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000057214394 384931977 /nfs/dbraw/zinc/93/19/77/384931977.db2.gz KPELKXJLJANTNR-NSHDSACASA-N 1 0 206.289 1.555 50 0 BDAARO [NH3+]C[C@H]1CN(Cc2ccc(F)cc2)C(=O)O1 ZINC000019668908 384945172 /nfs/dbraw/zinc/94/51/72/384945172.db2.gz NKGNVDFECIUWDG-JTQLQIEISA-N 1 0 224.235 1.105 50 0 BDAARO CN1CCN(c2ncnc3c2CCCC3)CC1 ZINC000129082497 384974417 /nfs/dbraw/zinc/97/44/17/384974417.db2.gz GKRHFRPJNAAGQM-UHFFFAOYSA-N 1 0 232.331 1.107 50 0 BDAARO c1coc(C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019946291 384994342 /nfs/dbraw/zinc/99/43/42/384994342.db2.gz INILIKYEJNBXMX-LBPRGKRZSA-N 1 0 206.289 1.463 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1F ZINC000107914995 385007585 /nfs/dbraw/zinc/00/75/85/385007585.db2.gz VOYGFXCZPOLVIF-NSHDSACASA-N 1 0 236.290 1.697 50 0 BDAARO CC(C)n1c(=S)[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000060276624 385077984 /nfs/dbraw/zinc/07/79/84/385077984.db2.gz YIJDMGSSJXXVIC-QMMMGPOBSA-N 1 0 226.349 1.989 50 0 BDAARO CCN(CC)CC[NH2+]CCC(F)(F)F ZINC000058946823 385035579 /nfs/dbraw/zinc/03/55/79/385035579.db2.gz CYHJFWKIQMHEPK-UHFFFAOYSA-N 1 0 212.259 1.870 50 0 BDAARO C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000269061109 385186292 /nfs/dbraw/zinc/18/62/92/385186292.db2.gz KHRRBQVDIKCTEE-DGCLKSJQSA-N 1 0 232.327 1.425 50 0 BDAARO FC(F)(F)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000062256924 385168541 /nfs/dbraw/zinc/16/85/41/385168541.db2.gz YWPTWUKWNVTFMK-RXMQYKEDSA-N 1 0 221.182 1.555 50 0 BDAARO CC(C)[N@H+](CCC(N)=O)C[C@H]1CC=CCC1 ZINC000065405429 385305571 /nfs/dbraw/zinc/30/55/71/385305571.db2.gz NEAWHWDWIYWHMS-LBPRGKRZSA-N 1 0 224.348 1.929 50 0 BDAARO [NH3+]Cc1cn(-c2cccc(F)c2F)nn1 ZINC000050224199 385311772 /nfs/dbraw/zinc/31/17/72/385311772.db2.gz CGNKOUPGJHRCMJ-UHFFFAOYSA-N 1 0 210.187 1.004 50 0 BDAARO Cn1nccc1C[N@H+](C)[C@H]1CCSC1 ZINC000130596768 385263940 /nfs/dbraw/zinc/26/39/40/385263940.db2.gz CTSZRBQXLLKNEL-JTQLQIEISA-N 1 0 211.334 1.357 50 0 BDAARO c1cnc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000166793247 385283751 /nfs/dbraw/zinc/28/37/51/385283751.db2.gz SOTJZYBCLAHUFS-ULKQDVFKSA-N 1 0 205.261 1.138 50 0 BDAARO Cc1nccn1CC[NH2+][C@@H](C)CCn1cccn1 ZINC000272337181 385291218 /nfs/dbraw/zinc/29/12/18/385291218.db2.gz BEOVCDGALNAYOA-LBPRGKRZSA-N 1 0 247.346 1.456 50 0 BDAARO Cc1cnc(C2CCOCC2)n1[C@@H]1CC[NH2+]C1 ZINC000169676819 385417267 /nfs/dbraw/zinc/41/72/67/385417267.db2.gz NVAWAKPRDOAWIS-GFCCVEGCSA-N 1 0 235.331 1.620 50 0 BDAARO [NH3+]CCc1nnc(SCc2ccccc2)o1 ZINC000000532432 385464638 /nfs/dbraw/zinc/46/46/38/385464638.db2.gz SFSSDSVHQINECU-UHFFFAOYSA-N 1 0 235.312 1.863 50 0 BDAARO OC[C@H]([NH2+]Cc1ccccc1)c1cccnc1 ZINC000038111000 385469208 /nfs/dbraw/zinc/46/92/08/385469208.db2.gz PSEXJXUVCHIOGX-AWEZNQCLSA-N 1 0 228.295 1.905 50 0 BDAARO CN(CC(F)F)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156897641 385472479 /nfs/dbraw/zinc/47/24/79/385472479.db2.gz JBEQPFIXYJNGRU-PBINXNQUSA-N 1 0 246.301 1.631 50 0 BDAARO Cc1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)nn1 ZINC000584906750 385462800 /nfs/dbraw/zinc/46/28/00/385462800.db2.gz DXLJRTHIZWWCBU-GFCCVEGCSA-N 1 0 234.347 1.563 50 0 BDAARO c1c2cccnc2[nH]c1[C@@H]1C[NH2+]CCO1 ZINC000019686705 385514269 /nfs/dbraw/zinc/51/42/69/385514269.db2.gz OSIZYSXZNDMXDX-JTQLQIEISA-N 1 0 203.245 1.224 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)COC ZINC000106620252 385521251 /nfs/dbraw/zinc/52/12/51/385521251.db2.gz YUSUERYQLDEGLG-NEPJUHHUSA-N 1 0 242.363 1.402 50 0 BDAARO CC[C@@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000065418621 385626712 /nfs/dbraw/zinc/62/67/12/385626712.db2.gz VDRLYNGBKWNRHP-LLVKDONJSA-N 1 0 214.353 1.221 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)CCc1ccccn1 ZINC000131194861 386196534 /nfs/dbraw/zinc/19/65/34/386196534.db2.gz YPGGRBPHJCDERC-CYBMUJFWSA-N 1 0 247.342 1.354 50 0 BDAARO COC(=O)c1cc[n+](C)cc1Br ZINC000000335008 386327052 /nfs/dbraw/zinc/32/70/52/386327052.db2.gz JIKUJGYDBPGIQB-UHFFFAOYSA-N 1 0 231.069 1.060 50 0 BDAARO Cn1cc(C[NH2+][C@@H](CO)Cc2ccccc2)cn1 ZINC000063218476 386402482 /nfs/dbraw/zinc/40/24/82/386402482.db2.gz BVIABTUPQVWMGT-CQSZACIVSA-N 1 0 245.326 1.113 50 0 BDAARO FC(F)(F)c1cc(NC2CC[NH2+]CC2)ncn1 ZINC000098214202 386582565 /nfs/dbraw/zinc/58/25/65/386582565.db2.gz GRSDOXXGQOHABE-UHFFFAOYSA-N 1 0 246.236 1.659 50 0 BDAARO C[NH+](C)C1(CNc2ncc(F)cn2)CCCC1 ZINC000135390564 386544263 /nfs/dbraw/zinc/54/42/63/386544263.db2.gz PYAXYFOQXDITGL-UHFFFAOYSA-N 1 0 238.310 1.902 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000241961261 386545452 /nfs/dbraw/zinc/54/54/52/386545452.db2.gz UQRQOBJXQARBAA-HBNTYKKESA-N 1 0 229.320 1.173 50 0 BDAARO COc1ccc(O[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000242620195 386548116 /nfs/dbraw/zinc/54/81/16/386548116.db2.gz PXSRYALPGMUQHV-XWEPSHTISA-N 1 0 211.236 1.703 50 0 BDAARO CC(C)CC[N@H+](CC(=O)NC1CC1)C1CC1 ZINC000045751683 386638643 /nfs/dbraw/zinc/63/86/43/386638643.db2.gz UJDQFOLOQODIJY-UHFFFAOYSA-N 1 0 224.348 1.776 50 0 BDAARO [NH3+][C@H]1C[C@@H](C(=O)Nc2cc(F)ccc2O)C1 ZINC000335509488 386643670 /nfs/dbraw/zinc/64/36/70/386643670.db2.gz DZUQUNKNIWHFKC-WRXNHJIOSA-N 1 0 224.235 1.207 50 0 BDAARO C[N@H+](Cc1ccccn1)C1(CO)CCOCC1 ZINC000190978518 387048081 /nfs/dbraw/zinc/04/80/81/387048081.db2.gz OTIJZCKXYUAVBV-UHFFFAOYSA-N 1 0 236.315 1.055 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000053202408 387020874 /nfs/dbraw/zinc/02/08/74/387020874.db2.gz KARHKERLCWXMKJ-LLVKDONJSA-N 1 0 236.315 1.720 50 0 BDAARO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cn2)CO1 ZINC000334944216 387022674 /nfs/dbraw/zinc/02/26/74/387022674.db2.gz MWECVHRHNQTGMK-NSHDSACASA-N 1 0 224.279 1.878 50 0 BDAARO CC(C)c1noc(N(C)C2CC([NH3+])C2)n1 ZINC000333923054 387081432 /nfs/dbraw/zinc/08/14/32/387081432.db2.gz RXYLUEQTVAEDCO-UHFFFAOYSA-N 1 0 210.281 1.119 50 0 BDAARO CC(C)(C)OC(=O)NCC12CCC(CC1)[NH2+]2 ZINC000091675847 387155300 /nfs/dbraw/zinc/15/53/00/387155300.db2.gz GZEKNMTVWUYRAN-UHFFFAOYSA-N 1 0 226.320 1.796 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2ccccc2)c1 ZINC000053534680 387175095 /nfs/dbraw/zinc/17/50/95/387175095.db2.gz XZHZCQATUSLCSK-UHFFFAOYSA-N 1 0 215.300 1.981 50 0 BDAARO C[NH+](C)CCNS(=O)(=O)CC1CCCCC1 ZINC000089314343 387295428 /nfs/dbraw/zinc/29/54/28/387295428.db2.gz GSTCTIJVANGCPO-UHFFFAOYSA-N 1 0 248.392 1.048 50 0 BDAARO CC1(C)Cc2ccc3[nH+]c(N)nc(N)c3c2O1 ZINC000075251455 387375221 /nfs/dbraw/zinc/37/52/21/387375221.db2.gz VNWFNHZIXSEGNQ-UHFFFAOYSA-N 1 0 230.271 1.508 50 0 BDAARO CC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000575607509 387397371 /nfs/dbraw/zinc/39/73/71/387397371.db2.gz PLXGBXZVPCXZSL-GJZGRUSLSA-N 1 0 244.338 1.597 50 0 BDAARO CSCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000163482932 387480074 /nfs/dbraw/zinc/48/00/74/387480074.db2.gz PRGYACWGTACGAC-NSHDSACASA-N 1 0 238.356 1.508 50 0 BDAARO C[C@@H](C(=O)NCc1cnc2c(c1)CCC2)[NH+](C)C ZINC000426382612 387561958 /nfs/dbraw/zinc/56/19/58/387561958.db2.gz GNVZQQBPTLSXSE-JTQLQIEISA-N 1 0 247.342 1.137 50 0 BDAARO Cc1n[nH]c(C)c1CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426472739 387573570 /nfs/dbraw/zinc/57/35/70/387573570.db2.gz LXNXACJPSNOZDE-WVKUQDAKSA-N 1 0 246.358 1.209 50 0 BDAARO Cc1nnc(C[NH+]2C[C@H](C)C[C@@H](C)C2)o1 ZINC000048343664 387780094 /nfs/dbraw/zinc/78/00/94/387780094.db2.gz CXMDNISBVQOHSM-RKDXNWHRSA-N 1 0 209.293 1.856 50 0 BDAARO COC(=O)c1ccc2c(c1)[C@H]([NH3+])CCC2 ZINC000039085474 387847657 /nfs/dbraw/zinc/84/76/57/387847657.db2.gz SJXJNEAOJHBQIZ-LLVKDONJSA-N 1 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1.424 50 0 BDAARO CCN(CC)C(=O)c1ccc(CNC(N)=[NH2+])cc1 ZINC000057887477 388369942 /nfs/dbraw/zinc/36/99/42/388369942.db2.gz GGCVEGRQXFPTOC-UHFFFAOYSA-N 1 0 248.330 1.152 50 0 BDAARO C[N@H+](CCCCCF)[C@@H]1CCCCNC1=O ZINC000252503341 388378564 /nfs/dbraw/zinc/37/85/64/388378564.db2.gz VBPCPKUEFNPCOQ-LLVKDONJSA-N 1 0 230.327 1.727 50 0 BDAARO C[N@H+](CCSCCO)Cc1ccccc1 ZINC000193631130 388403270 /nfs/dbraw/zinc/40/32/70/388403270.db2.gz ZRPFSIFZRWFWFD-UHFFFAOYSA-N 1 0 225.357 1.844 50 0 BDAARO CCCCC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000161112160 388455252 /nfs/dbraw/zinc/45/52/52/388455252.db2.gz NPGRIAATWHCFDQ-QWRGUYRKSA-N 1 0 228.336 1.141 50 0 BDAARO Cc1cnc(C[N@@H+]2CCCC[C@H]2CCO)cn1 ZINC000069249728 388413968 /nfs/dbraw/zinc/41/39/68/388413968.db2.gz QJNDXDPFKBQFHP-ZDUSSCGKSA-N 1 0 235.331 1.522 50 0 BDAARO Cn1cnc2c1CC[N@H+](CCc1ccccn1)C2 ZINC000069464207 388417505 /nfs/dbraw/zinc/41/75/05/388417505.db2.gz XCOZMTVPUDFIQH-UHFFFAOYSA-N 1 0 242.326 1.416 50 0 BDAARO CC[C@H](CNC(=O)c1ccncc1)[NH+]1CCCC1 ZINC000040522399 388420064 /nfs/dbraw/zinc/42/00/64/388420064.db2.gz HJYUNNDUHKYBKO-CYBMUJFWSA-N 1 0 247.342 1.686 50 0 BDAARO CC[C@@H](C)[N@H+](C)CC(=O)Nc1nnc(C)s1 ZINC000069738256 388425692 /nfs/dbraw/zinc/42/56/92/388425692.db2.gz MVUDOKOCSYXFIE-SSDOTTSWSA-N 1 0 242.348 1.515 50 0 BDAARO C[C@@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069950525 388430673 /nfs/dbraw/zinc/43/06/73/388430673.db2.gz ZEUCDYPLCZVJTE-CYBMUJFWSA-N 1 0 240.391 1.565 50 0 BDAARO Cc1ccoc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070175882 388433348 /nfs/dbraw/zinc/43/33/48/388433348.db2.gz FCOSDWYCFIZSTA-ONGXEEELSA-N 1 0 236.315 1.787 50 0 BDAARO CCc1cccc(C)c1-n1nnnc1C(C)(C)[NH3+] ZINC000020198746 388525432 /nfs/dbraw/zinc/52/54/32/388525432.db2.gz NCKZVARFNYHDDO-UHFFFAOYSA-N 1 0 245.330 1.727 50 0 BDAARO O=S1(=O)CC[C@H]2C[N@@H+]([C@@H]3C=CCCC3)C[C@H]21 ZINC000253417534 388592276 /nfs/dbraw/zinc/59/22/76/388592276.db2.gz SGGVXEIRZCRGPQ-QJPTWQEYSA-N 1 0 241.356 1.214 50 0 BDAARO C[C@H](CCC1CCCC1)NC(=O)CC[NH3+] ZINC000225464876 388595072 /nfs/dbraw/zinc/59/50/72/388595072.db2.gz LSPXPTMTUVMHJW-SNVBAGLBSA-N 1 0 212.337 1.810 50 0 BDAARO CCOCC[N@@H+]1CC[C@@H](OC(C)=O)[C@H](C)C1 ZINC000002272086 388581635 /nfs/dbraw/zinc/58/16/35/388581635.db2.gz MHUCZGOYYLQXQM-ZYHUDNBSSA-N 1 0 229.320 1.296 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000330031801 388752901 /nfs/dbraw/zinc/75/29/01/388752901.db2.gz DMIRQNCZLNRQOI-NWDGAFQWSA-N 1 0 212.337 1.191 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000330031803 388753552 /nfs/dbraw/zinc/75/35/52/388753552.db2.gz DMIRQNCZLNRQOI-RYUDHWBXSA-N 1 0 212.337 1.191 50 0 BDAARO C[C@@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000249105775 388709001 /nfs/dbraw/zinc/70/90/01/388709001.db2.gz JCIIYWICAJAKSH-MNOVXSKESA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)C(N)=O ZINC000095984754 388799058 /nfs/dbraw/zinc/79/90/58/388799058.db2.gz GYJJGHOZDPXPON-GHMZBOCLSA-N 1 0 234.343 1.816 50 0 BDAARO COc1cc(C[N@@H+]2CC[C@@H](O)C2)cc(OC)c1 ZINC000095982443 388800093 /nfs/dbraw/zinc/80/00/93/388800093.db2.gz HJKCPDDULJORHC-LLVKDONJSA-N 1 0 237.299 1.270 50 0 BDAARO Cc1ccc(C)c(CC(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000095394023 388765621 /nfs/dbraw/zinc/76/56/21/388765621.db2.gz VSVILRGEMYIGAZ-CQSZACIVSA-N 1 0 246.354 1.699 50 0 BDAARO Cn1cc([C@@H]2OCC[C@H]2C[NH2+]CC2CC2)cn1 ZINC000095402030 388766154 /nfs/dbraw/zinc/76/61/54/388766154.db2.gz ATMXUXSTBKTZST-WCQYABFASA-N 1 0 235.331 1.497 50 0 BDAARO CC(C)CCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000095445321 388772696 /nfs/dbraw/zinc/77/26/96/388772696.db2.gz JEBZGRPHYLXOTC-NSHDSACASA-N 1 0 233.377 1.447 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000157332659 388834077 /nfs/dbraw/zinc/83/40/77/388834077.db2.gz NSRDIFZCOPXXFO-AAEUAGOBSA-N 1 0 222.332 1.683 50 0 BDAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097236885 388835812 /nfs/dbraw/zinc/83/58/12/388835812.db2.gz VJXYYJQMSDWDSK-MNOVXSKESA-N 1 0 209.289 1.872 50 0 BDAARO CCOCC[NH+]1CCN(c2ccccc2)CC1 ZINC000070921780 132303010 /nfs/dbraw/zinc/30/30/10/132303010.db2.gz URMUNWBLWDZUBR-UHFFFAOYSA-N 1 0 234.343 1.845 50 0 BDAARO NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000003631917 132315904 /nfs/dbraw/zinc/31/59/04/132315904.db2.gz HYVSDWLVUBTZRD-UHFFFAOYSA-N 1 0 238.722 1.355 50 0 in-vitro BDAARO C[C@@H]1CN(c2ccc(C[NH3+])cn2)C[C@@H](C)O1 ZINC000022144015 132332247 /nfs/dbraw/zinc/33/22/47/132332247.db2.gz DKOOGSOFRGBDJP-NXEZZACHSA-N 1 0 221.304 1.154 50 0 BDAARO CCOC(=O)c1ccccc1N1CC[NH+](C)CC1 ZINC000044200462 132353993 /nfs/dbraw/zinc/35/39/93/132353993.db2.gz WORWGENGMZRIEU-UHFFFAOYSA-N 1 0 248.326 1.615 50 0 BDAARO [NH3+]CCc1ccccc1N1CCOCC1 ZINC000044396845 132354062 /nfs/dbraw/zinc/35/40/62/132354062.db2.gz BCAHGYXFJZZZDB-UHFFFAOYSA-N 1 0 206.289 1.024 50 0 BDAARO Cc1ccnc(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000063201378 132389756 /nfs/dbraw/zinc/38/97/56/132389756.db2.gz GMWCCQWYDLJRBL-CYBMUJFWSA-N 1 0 246.358 1.753 50 0 BDAARO COc1cc(N2CC[NH+](C(C)C)CC2)ccc1N ZINC000066323377 132390207 /nfs/dbraw/zinc/39/02/07/132390207.db2.gz IYFHZZYIEKQGQT-UHFFFAOYSA-N 1 0 249.358 1.808 50 0 BDAARO [NH3+][C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000068593381 132390568 /nfs/dbraw/zinc/39/05/68/132390568.db2.gz CJSDQGAHEZCMEI-JTQLQIEISA-N 1 0 208.236 1.280 50 0 BDAARO Cc1ccccc1OCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299739639 133466539 /nfs/dbraw/zinc/46/65/39/133466539.db2.gz QULCUUAEJYJRHR-LBPRGKRZSA-N 1 0 248.326 1.181 50 0 BDAARO O=C(NC1C[NH2+]C1)c1ccc(Cl)s1 ZINC000085255714 134262222 /nfs/dbraw/zinc/26/22/22/134262222.db2.gz KXQRLAKUMPXHHV-UHFFFAOYSA-N 1 0 216.693 1.103 50 0 BDAARO OC[C@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000408259706 134647635 /nfs/dbraw/zinc/64/76/35/134647635.db2.gz PKGHZMZGLGIDON-CYBMUJFWSA-N 1 0 241.375 1.822 50 0 BDAARO C[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C(C)(C)C ZINC000238850843 134849944 /nfs/dbraw/zinc/84/99/44/134849944.db2.gz CYHXMDGVHQPUBV-KXUCPTDWSA-N 1 0 210.321 1.241 50 0 BDAARO NC[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000020398407 397963671 /nfs/dbraw/zinc/96/36/71/397963671.db2.gz GQVFSFGUACRUIX-ZDUSSCGKSA-N 1 0 204.317 1.652 50 0 BDAARO CCN1c2ccccc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000238276463 397921294 /nfs/dbraw/zinc/92/12/94/397921294.db2.gz GZYIJZZKJIPDMP-AAEUAGOBSA-N 1 0 202.301 1.972 50 0 BDAARO O[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000389948535 397999655 /nfs/dbraw/zinc/99/96/55/397999655.db2.gz QAFKEVLDJHBTPI-UIIMQBOASA-N 1 0 221.275 1.906 50 0 BDAARO [NH3+]Cc1cc2c(cc1Br)OCO2 ZINC000030834329 397999900 /nfs/dbraw/zinc/99/99/00/397999900.db2.gz NNUIXLSPFGFNDE-UHFFFAOYSA-N 1 0 230.061 1.637 50 0 BDAARO Fc1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000042351812 398013786 /nfs/dbraw/zinc/01/37/86/398013786.db2.gz TWJMKCPKNKXHET-UHFFFAOYSA-N 1 0 219.263 1.812 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C[C@H]1C[C@H]1C)C(C)C ZINC000118967931 171476813 /nfs/dbraw/zinc/47/68/13/171476813.db2.gz INTCXZSOEZECBY-MXWKQRLJSA-N 1 0 212.337 1.617 50 0 BDAARO C1CC1c1nnc([C@H]2CCC[NH2+]C2)s1 ZINC000026424281 322868549 /nfs/dbraw/zinc/86/85/49/322868549.db2.gz PNMJDBQJEZWKFM-QMMMGPOBSA-N 1 0 209.318 1.883 50 0 BDAARO O=c1[nH]c2ccc(C[NH2+][C@H]3CCSC3)cc2[nH]1 ZINC000680333453 487566904 /nfs/dbraw/zinc/56/69/04/487566904.db2.gz BGDQZHWRCQAZDN-VIFPVBQESA-N 1 0 249.339 1.864 50 0 BDAARO CC(C)OCCC[NH2+]CCOC(C)C ZINC000049800936 167219830 /nfs/dbraw/zinc/21/98/30/167219830.db2.gz WTQVYKGOUNOHOV-UHFFFAOYSA-N 1 0 203.326 1.816 50 0 BDAARO Brc1cccc2c1OCC[NH2+]C2 ZINC000084179571 166100740 /nfs/dbraw/zinc/10/07/40/166100740.db2.gz ITSRHCRSQULDDS-UHFFFAOYSA-N 1 0 228.089 1.931 50 0 BDAARO CC(C)CCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000095445322 166814119 /nfs/dbraw/zinc/81/41/19/166814119.db2.gz JEBZGRPHYLXOTC-LLVKDONJSA-N 1 0 233.377 1.447 50 0 BDAARO CC(C)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000000819686 167081313 /nfs/dbraw/zinc/08/13/13/167081313.db2.gz FSURAZIHRDGGRQ-LBPRGKRZSA-N 1 0 245.326 1.562 50 0 BDAARO CC(C)[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014221051 167384387 /nfs/dbraw/zinc/38/43/87/167384387.db2.gz WOVSGMPFFGTZLR-BXKDBHETSA-N 1 0 238.306 1.986 50 0 BDAARO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)cc2c1OCO2 ZINC000105438098 411038323 /nfs/dbraw/zinc/03/83/23/411038323.db2.gz GUEZTGKIENQHRN-WCBMZHEXSA-N 1 0 235.283 1.922 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)C(C)(C)C(F)F ZINC000658033960 411209131 /nfs/dbraw/zinc/20/91/31/411209131.db2.gz JOOKQDYBXVAYMD-IUCAKERBSA-N 1 0 248.317 1.782 50 0 BDAARO CC1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000004022587 168165549 /nfs/dbraw/zinc/16/55/49/168165549.db2.gz IJOFWIZGODEMMB-MCIGGMRASA-N 1 0 224.348 1.823 50 0 BDAARO CCC(=O)CCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000232852566 168199134 /nfs/dbraw/zinc/19/91/34/168199134.db2.gz KUARRPCSZMIEFM-LLVKDONJSA-N 1 0 227.348 1.839 50 0 BDAARO CCN1CCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000069972560 170006904 /nfs/dbraw/zinc/00/69/04/170006904.db2.gz JLYKGFMPFSJSHM-GFCCVEGCSA-N 1 0 240.372 1.558 50 0 BDAARO CCNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069653496 170061079 /nfs/dbraw/zinc/06/10/79/170061079.db2.gz VXAUCTFUKAXLIP-CYBMUJFWSA-N 1 0 232.327 1.612 50 0 BDAARO CC[NH2+]CC(=O)Nc1ccc(OC)cc1 ZINC000002650136 170109060 /nfs/dbraw/zinc/10/90/60/170109060.db2.gz AZWBWZSQVFXLLG-UHFFFAOYSA-N 1 0 208.261 1.243 50 0 BDAARO CC[NH2+]C[C@@H](O)COCc1ccc(OC)cc1 ZINC000002641976 170118796 /nfs/dbraw/zinc/11/87/96/170118796.db2.gz VAMXYIQJRSFOGW-GFCCVEGCSA-N 1 0 239.315 1.182 50 0 BDAARO CCOC(=O)CC[N@@H+]1CCSCC[C@H]1C ZINC000241338622 170206216 /nfs/dbraw/zinc/20/62/16/170206216.db2.gz MCNZPTQFDDLVIM-SNVBAGLBSA-N 1 0 231.361 1.767 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1cccc(C)c1 ZINC000002553904 170233984 /nfs/dbraw/zinc/23/39/84/170233984.db2.gz TZMLGWHVWSROOA-NSHDSACASA-N 1 0 207.273 1.948 50 0 BDAARO CCOC(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000069420500 170243361 /nfs/dbraw/zinc/24/33/61/170243361.db2.gz KHVVZBSVTGSRKB-JTQLQIEISA-N 1 0 214.309 1.605 50 0 BDAARO CCOC(=O)[C@@H](C)Cc1ccc(C[NH3+])cc1 ZINC000012359689 170246323 /nfs/dbraw/zinc/24/63/23/170246323.db2.gz VJYSQDVQNWAVGO-JTQLQIEISA-N 1 0 221.300 1.887 50 0 BDAARO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000230273481 170249892 /nfs/dbraw/zinc/24/98/92/170249892.db2.gz RYEGYBYUSHFDAF-DGCLKSJQSA-N 1 0 243.347 1.829 50 0 BDAARO CCOC(=O)[C@@]12C[NH2+]C[C@@H](C1)c1ccccc1C2 ZINC000091302519 170263042 /nfs/dbraw/zinc/26/30/42/170263042.db2.gz GBTMTUZKJYUVMU-IUODEOHRSA-N 1 0 245.322 1.869 50 0 BDAARO CCOC(=O)[C@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000035630186 170285614 /nfs/dbraw/zinc/28/56/14/170285614.db2.gz NAKFGHQPCHDUOT-AWEZNQCLSA-N 1 0 248.326 1.153 50 0 BDAARO CCOC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000038580851 170297012 /nfs/dbraw/zinc/29/70/12/170297012.db2.gz QNUWRKPXOKSTET-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(=O)c1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042771211 170299752 /nfs/dbraw/zinc/29/97/52/170299752.db2.gz JXZWKAYSTNVHIQ-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(C[NH2+]Cc1cccnc1)OCC ZINC000071782802 170316316 /nfs/dbraw/zinc/31/63/16/170316316.db2.gz YXWKUCRKSMPHCE-UHFFFAOYSA-N 1 0 224.304 1.570 50 0 BDAARO CCOCC[N@@H+]1CCN(CC=C(C)C)C[C@@H]1C ZINC000070008375 170399181 /nfs/dbraw/zinc/39/91/81/170399181.db2.gz VEYFJTFHPKDFRR-AWEZNQCLSA-N 1 0 240.391 1.995 50 0 BDAARO CCOc1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1C ZINC000236888579 170516829 /nfs/dbraw/zinc/51/68/29/170516829.db2.gz RANFSVUREIBHRP-LBPRGKRZSA-N 1 0 248.326 1.567 50 0 BDAARO CCOc1ccc(CN2CCC[C@H]([NH3+])C2)nc1 ZINC000225490519 170542848 /nfs/dbraw/zinc/54/28/48/170542848.db2.gz ALZTWWJGEJKWOJ-NSHDSACASA-N 1 0 235.331 1.403 50 0 BDAARO CC[C@@H]([NH2+]CCc1nc(N)n[nH]1)C1CCCC1 ZINC000534636311 411880065 /nfs/dbraw/zinc/88/00/65/411880065.db2.gz KTAFUOXHLWLBEA-SNVBAGLBSA-N 1 0 237.351 1.488 50 0 BDAARO CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000016123721 171066304 /nfs/dbraw/zinc/06/63/04/171066304.db2.gz DXJOJUNLMJMJSN-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO CC[C@@H]1C[N@H+](CCOC(=O)N(C)C)CCS1 ZINC000097109164 171081194 /nfs/dbraw/zinc/08/11/94/171081194.db2.gz YGOGDMUBVIFPFJ-SNVBAGLBSA-N 1 0 246.376 1.512 50 0 BDAARO CC[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000014984311 171101512 /nfs/dbraw/zinc/10/15/12/171101512.db2.gz CTCGRXDGXGUOTE-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO CC[C@@](C)([NH2+]C[C@H](C)CC(C)C)C(N)=O ZINC000253393567 171175590 /nfs/dbraw/zinc/17/55/90/171175590.db2.gz KIXNSBCWNURZJD-ZYHUDNBSSA-N 1 0 214.353 1.912 50 0 BDAARO CC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000000093338 171342751 /nfs/dbraw/zinc/34/27/51/171342751.db2.gz XBGIGYSTIRRWKY-QMMMGPOBSA-N 1 0 211.261 1.954 50 0 BDAARO CC[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000037083415 171604938 /nfs/dbraw/zinc/60/49/38/171604938.db2.gz ZHKNXBOXQLGSPK-LBPRGKRZSA-N 1 0 224.348 1.777 50 0 BDAARO CCc1nccn1CC[NH+]1CCC2(CCO2)CC1 ZINC000244619984 172026517 /nfs/dbraw/zinc/02/65/17/172026517.db2.gz FJRYABGMDIKWKD-UHFFFAOYSA-N 1 0 249.358 1.700 50 0 BDAARO CCc1noc(C)c1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000125478679 172081711 /nfs/dbraw/zinc/08/17/11/172081711.db2.gz GGRSCHSGZFXVQP-SECBINFHSA-N 1 0 237.303 1.626 50 0 BDAARO CCc1oc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1C ZINC000195542728 172111738 /nfs/dbraw/zinc/11/17/38/172111738.db2.gz JJGNFZOPRUBSKG-SNVBAGLBSA-N 1 0 236.315 1.632 50 0 BDAARO CN(C)C(=O)C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000328586414 172371339 /nfs/dbraw/zinc/37/13/39/172371339.db2.gz PYERZTQAZUJEMW-LBPRGKRZSA-N 1 0 248.326 1.058 50 0 BDAARO CN(C)C(=O)c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000242701440 172392680 /nfs/dbraw/zinc/39/26/80/172392680.db2.gz WDVYZAAUHQVZPS-VIFPVBQESA-N 1 0 219.288 1.208 50 0 BDAARO C[NH+](C)CCCN1C[C@H](c2ccccc2)CC1=O ZINC000000189944 172436357 /nfs/dbraw/zinc/43/63/57/172436357.db2.gz ILGGUQKGDFTTNF-CQSZACIVSA-N 1 0 246.354 1.954 50 0 BDAARO C[NH+](C)CCCSc1nnc(N)s1 ZINC000004129480 172444661 /nfs/dbraw/zinc/44/46/61/172444661.db2.gz RROQWVYFDYMUJL-UHFFFAOYSA-N 1 0 218.351 1.164 50 0 BDAARO CN(CC1CCOCC1)C[C@@H]1CCCC[NH2+]1 ZINC000042783454 172662069 /nfs/dbraw/zinc/66/20/69/172662069.db2.gz MHPNEVVMWGFWMF-ZDUSSCGKSA-N 1 0 226.364 1.487 50 0 BDAARO CN1CCCCc2c(N)c3c([nH+]c21)CCC3 ZINC000004314968 173009142 /nfs/dbraw/zinc/00/91/42/173009142.db2.gz PWCTVGFXLKUXLJ-UHFFFAOYSA-N 1 0 217.316 1.925 50 0 BDAARO C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000013736801 173011153 /nfs/dbraw/zinc/01/11/53/173011153.db2.gz RZJPBVDSMLBQQM-UHFFFAOYSA-N 1 0 246.354 1.783 50 0 BDAARO C[N@@H+]1CCCN(C(=O)Cc2ccsc2)CC1 ZINC000033028572 173011471 /nfs/dbraw/zinc/01/14/71/173011471.db2.gz RQAFAGBYUCXDKJ-UHFFFAOYSA-N 1 0 238.356 1.455 50 0 BDAARO CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000019882161 173016532 /nfs/dbraw/zinc/01/65/32/173016532.db2.gz VWJCUCPKYJVDPR-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO CN(C[C@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000098013105 173043054 /nfs/dbraw/zinc/04/30/54/173043054.db2.gz IYEUCLZXFMVMTO-LBPRGKRZSA-N 1 0 219.332 1.860 50 0 BDAARO CN1CC[NH+](CCCOc2cccc(N)c2)CC1 ZINC000019731967 173080170 /nfs/dbraw/zinc/08/01/70/173080170.db2.gz DIYQKNOQRDOHAI-UHFFFAOYSA-N 1 0 249.358 1.285 50 0 BDAARO C[NH+]1CCN(CCOc2cccc(F)c2)CC1 ZINC000057996647 173082685 /nfs/dbraw/zinc/08/26/85/173082685.db2.gz SRQJTWPNIPVJNQ-UHFFFAOYSA-N 1 0 238.306 1.452 50 0 BDAARO C[NH+]1CCN(Cc2ccccc2C(N)=S)CC1 ZINC000019470130 173087414 /nfs/dbraw/zinc/08/74/14/173087414.db2.gz FGHLVPFOZDLDBB-UHFFFAOYSA-N 1 0 249.383 1.068 50 0 BDAARO C[N@@H+]1CC[C@@H](CNC(=O)CCC(F)(F)F)C1 ZINC000067804462 173115752 /nfs/dbraw/zinc/11/57/52/173115752.db2.gz CVZFQRBPMQYVJS-QMMMGPOBSA-N 1 0 238.253 1.397 50 0 BDAARO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2)C1 ZINC000074904968 173146051 /nfs/dbraw/zinc/14/60/51/173146051.db2.gz PVSXJFFQOKIOJG-LLVKDONJSA-N 1 0 233.315 1.760 50 0 BDAARO CNC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810341 173270300 /nfs/dbraw/zinc/27/03/00/173270300.db2.gz XVPPHZAVQIAURU-GFCCVEGCSA-N 1 0 218.300 1.352 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000079100139 173274250 /nfs/dbraw/zinc/27/42/50/173274250.db2.gz ASTXZTZJNIDHOG-LBPRGKRZSA-N 1 0 248.326 1.276 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000225545784 173299857 /nfs/dbraw/zinc/29/98/57/173299857.db2.gz ALWORZOEFFWKAC-NQBHXWOUSA-N 1 0 247.342 1.647 50 0 BDAARO C[NH2+]CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000004718953 173329576 /nfs/dbraw/zinc/32/95/76/173329576.db2.gz SZQXBKIXCYGIER-UHFFFAOYSA-N 1 0 236.359 1.538 50 0 BDAARO C[NH2+]CC1CCN(C(=O)c2cccnc2)CC1 ZINC000063159581 173338719 /nfs/dbraw/zinc/33/87/19/173338719.db2.gz DZEXWGQPISRFOG-UHFFFAOYSA-N 1 0 233.315 1.153 50 0 BDAARO C[NH2+]CCCNC(=O)c1ccc(C)c(C)c1 ZINC000036280214 173349241 /nfs/dbraw/zinc/34/92/41/173349241.db2.gz NYAHCDIMVFUZBS-UHFFFAOYSA-N 1 0 220.316 1.643 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)Cc1cccc(C)c1 ZINC000148782009 173364310 /nfs/dbraw/zinc/36/43/10/173364310.db2.gz YFCHXHGAGKJSAC-GFCCVEGCSA-N 1 0 234.343 1.509 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC000071143998 173369821 /nfs/dbraw/zinc/36/98/21/173369821.db2.gz OMNHJMSUJYVVEK-LBPRGKRZSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+]C[C@H](C)CNC(=O)c1ccoc1C ZINC000132648736 173375373 /nfs/dbraw/zinc/37/53/73/173375373.db2.gz PJROKRSGUFXNNL-QMMMGPOBSA-N 1 0 210.277 1.173 50 0 BDAARO C[NH2+]C[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC000148833122 173375431 /nfs/dbraw/zinc/37/54/31/173375431.db2.gz FWCRWIPSISZMAB-VIFPVBQESA-N 1 0 238.306 1.719 50 0 BDAARO C[NH2+]C[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000040594651 173378593 /nfs/dbraw/zinc/37/85/93/173378593.db2.gz CREXMXBFGGYFSI-MRVPVSSYSA-N 1 0 238.253 1.397 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072194414 173380036 /nfs/dbraw/zinc/38/00/36/173380036.db2.gz NHOPGDPSLMBDQD-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccccn2)C1 ZINC000328595884 173380572 /nfs/dbraw/zinc/38/05/72/173380572.db2.gz IVUUWLVVVVNBAL-BTDICHCPSA-N 1 0 245.326 1.163 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccccc2C)C1 ZINC000071143579 173380576 /nfs/dbraw/zinc/38/05/76/173380576.db2.gz GVOMCYDNEWWLET-CYBMUJFWSA-N 1 0 246.354 1.605 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000071142750 173380592 /nfs/dbraw/zinc/38/05/92/173380592.db2.gz DXIMJIINXDBMOW-GFCCVEGCSA-N 1 0 248.326 1.133 50 0 BDAARO C[NH2+]Cc1cc2ccc(C)cc2[nH]c1=O ZINC000008619747 173388301 /nfs/dbraw/zinc/38/83/01/173388301.db2.gz WVZKDBDRIAOZSY-UHFFFAOYSA-N 1 0 202.257 1.968 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000132606031 173460699 /nfs/dbraw/zinc/46/06/99/173460699.db2.gz VSMPTMBOMISOEF-ZDUSSCGKSA-N 1 0 247.342 1.225 50 0 BDAARO C[NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000252586808 173469148 /nfs/dbraw/zinc/46/91/48/173469148.db2.gz SSLHAXMFLXPQSV-BRPSZJMVSA-N 1 0 212.293 1.071 50 0 BDAARO COC(=O)C[C@@H](C[NH3+])c1ccccc1OC ZINC000004811719 173624777 /nfs/dbraw/zinc/62/47/77/173624777.db2.gz HZLPWKSRUBDMFI-VIFPVBQESA-N 1 0 223.272 1.301 50 0 BDAARO COC(=O)c1ccc(CN2CC[NH2+][C@@H](C)C2)cc1 ZINC000022798627 173875443 /nfs/dbraw/zinc/87/54/43/173875443.db2.gz UMYOUNGBUSQMCP-NSHDSACASA-N 1 0 248.326 1.267 50 0 BDAARO COC(=O)c1ccccc1OC1CC[NH2+]CC1 ZINC000042775623 173900560 /nfs/dbraw/zinc/90/05/60/173900560.db2.gz LLMGKBUFCIKRMM-UHFFFAOYSA-N 1 0 235.283 1.604 50 0 BDAARO COC1CC[NH+](Cc2cccnc2)CC1 ZINC000247867446 174030174 /nfs/dbraw/zinc/03/01/74/174030174.db2.gz BNNHIUCEMAEECA-UHFFFAOYSA-N 1 0 206.289 1.692 50 0 BDAARO COCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000040541015 174048661 /nfs/dbraw/zinc/04/86/61/174048661.db2.gz AHIUQUKVWJYNCT-VXGBXAGGSA-N 1 0 242.363 1.117 50 0 BDAARO COCCN(CC(C)C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539419 174287223 /nfs/dbraw/zinc/28/72/23/174287223.db2.gz IPYJEPWKOZWAIX-RYUDHWBXSA-N 1 0 242.363 1.245 50 0 BDAARO COCC[N@H+](CCC(=O)OC)CC(C)C ZINC000042250629 174289472 /nfs/dbraw/zinc/28/94/72/174289472.db2.gz XECYMLKWBKNWKY-UHFFFAOYSA-N 1 0 217.309 1.154 50 0 BDAARO COCC[NH+](CCOC)Cc1ccccc1 ZINC000048374020 174295745 /nfs/dbraw/zinc/29/57/45/174295745.db2.gz JXCVZZAHNZUGCB-UHFFFAOYSA-N 1 0 223.316 1.781 50 0 BDAARO COCC[N@@H+](Cc1ccc(C)o1)C[C@@H](C)O ZINC000035717705 174299364 /nfs/dbraw/zinc/29/93/64/174299364.db2.gz BRKNLAUKOYPSFT-SNVBAGLBSA-N 1 0 227.304 1.417 50 0 BDAARO COCC[N@@H+]1CCC[C@H]1Cn1nc(C)cc1C ZINC000071876071 174308357 /nfs/dbraw/zinc/30/83/57/174308357.db2.gz CVIMSQMOXCUULO-ZDUSSCGKSA-N 1 0 237.347 1.611 50 0 BDAARO COCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000014987973 174335825 /nfs/dbraw/zinc/33/58/25/174335825.db2.gz XZODZOZILSMJFT-UHFFFAOYSA-N 1 0 204.273 1.904 50 0 biogenic BDAARO COC[C@H](O)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000097228426 174598229 /nfs/dbraw/zinc/59/82/29/174598229.db2.gz FZZQYQMZAAONDL-GXTWGEPZSA-N 1 0 237.343 1.523 50 0 BDAARO COc1cc(C)ccc1OCCCNC(N)=[NH2+] ZINC000071547926 174969173 /nfs/dbraw/zinc/96/91/73/174969173.db2.gz ZPFLGOLPUHVPTO-UHFFFAOYSA-N 1 0 237.303 1.256 50 0 BDAARO COc1cc(C)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042773272 174969361 /nfs/dbraw/zinc/96/93/61/174969361.db2.gz NVISLXFYLSTKMM-NSHDSACASA-N 1 0 221.300 1.992 50 0 BDAARO COc1cc(NC2CC[NH2+]CC2)cc(OC)c1 ZINC000038040535 175001319 /nfs/dbraw/zinc/00/13/19/175001319.db2.gz FQBSTVGPTXJCFQ-UHFFFAOYSA-N 1 0 236.315 1.868 50 0 BDAARO COc1cc(OC)cc(C2(O)CC[NH2+]CC2)c1 ZINC000075108738 175010658 /nfs/dbraw/zinc/01/06/58/175010658.db2.gz IEEGCHLFFPMLIO-UHFFFAOYSA-N 1 0 237.299 1.275 50 0 BDAARO COc1cc([C@H](C)[NH3+])cc(OC)c1OC ZINC000000154739 175015058 /nfs/dbraw/zinc/01/50/58/175015058.db2.gz WYQUYSRUIVFEII-ZETCQYMHSA-N 1 0 211.261 1.732 50 0 BDAARO COc1cc2c(cc1OC)CN(CC[NH3+])CC2 ZINC000019388579 175024651 /nfs/dbraw/zinc/02/46/51/175024651.db2.gz NXFATFFJLNTYJM-UHFFFAOYSA-N 1 0 236.315 1.021 50 0 BDAARO COc1ccc(-c2cc(C[NH3+])no2)cc1 ZINC000011920180 175031472 /nfs/dbraw/zinc/03/14/72/175031472.db2.gz JEVVHEACJGXPMC-UHFFFAOYSA-N 1 0 204.229 1.809 50 0 BDAARO COc1ccc(-c2c[nH+]ccc2N)cn1 ZINC000065425550 175037050 /nfs/dbraw/zinc/03/70/50/175037050.db2.gz BXNLHERALZISEW-UHFFFAOYSA-N 1 0 201.229 1.734 50 0 BDAARO COc1ccc(-n2cc([C@H](C)[NH3+])cn2)cc1 ZINC000013331536 175043964 /nfs/dbraw/zinc/04/39/64/175043964.db2.gz IBFYMNWMDGFULN-VIFPVBQESA-N 1 0 217.272 1.901 50 0 BDAARO COc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053253859 175060019 /nfs/dbraw/zinc/06/00/19/175060019.db2.gz LATOANUQIIHRID-NSHDSACASA-N 1 0 234.299 1.177 50 0 BDAARO COc1ccc(C(=O)OC2CC[NH+](C)CC2)cc1 ZINC000000525506 175064943 /nfs/dbraw/zinc/06/49/43/175064943.db2.gz PQEICDSYZKSSGU-UHFFFAOYSA-N 1 0 249.310 1.946 50 0 BDAARO COc1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1C ZINC000011630666 175065989 /nfs/dbraw/zinc/06/59/89/175065989.db2.gz KZXYNEFWZFRCRN-LLVKDONJSA-N 1 0 219.284 1.938 50 0 BDAARO COc1ccc(C)cc1C[NH2+]CCn1cccn1 ZINC000042351669 175076201 /nfs/dbraw/zinc/07/62/01/175076201.db2.gz DPKQWIVFQRUINC-UHFFFAOYSA-N 1 0 245.326 1.990 50 0 BDAARO COc1ccc(CC[NH2+]C2CCN(C)CC2)cc1 ZINC000019907318 175091288 /nfs/dbraw/zinc/09/12/88/175091288.db2.gz YMIVHJMBUGIPPW-UHFFFAOYSA-N 1 0 248.370 1.922 50 0 BDAARO COc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000000819566 175098521 /nfs/dbraw/zinc/09/85/21/175098521.db2.gz BZQIYCWHRQFSGC-UHFFFAOYSA-N 1 0 248.326 1.393 50 0 BDAARO COc1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000006658211 175151202 /nfs/dbraw/zinc/15/12/02/175151202.db2.gz LQCLFIWEFVWKAG-NSHDSACASA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccc([C@@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000004637222 175185026 /nfs/dbraw/zinc/18/50/26/175185026.db2.gz UOPHZIRDFPECOW-LBPRGKRZSA-N 1 0 229.283 1.653 50 0 biogenic BDAARO COc1ccc2[nH]c(NCCCO)[nH+]c2c1 ZINC000006373187 175201686 /nfs/dbraw/zinc/20/16/86/175201686.db2.gz JLPBLFOJWKMBRM-UHFFFAOYSA-N 1 0 221.260 1.366 50 0 BDAARO COc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000019946399 175228304 /nfs/dbraw/zinc/22/83/04/175228304.db2.gz KZRIGTDFSPUENO-UHFFFAOYSA-N 1 0 249.339 1.715 50 0 BDAARO COc1cccc(-c2noc(C3C[NH2+]C3)n2)c1 ZINC000092699225 175238292 /nfs/dbraw/zinc/23/82/92/175238292.db2.gz GSCQDOIIESSZJJ-UHFFFAOYSA-N 1 0 231.255 1.432 50 0 BDAARO COc1cccc(C(=O)C[NH2+]C(C)C)c1 ZINC000012359668 175242066 /nfs/dbraw/zinc/24/20/66/175242066.db2.gz CMVMLVASOJTAMI-UHFFFAOYSA-N 1 0 207.273 1.876 50 0 BDAARO COc1cccc(CC2(CO)CC[NH2+]CC2)c1 ZINC000020444500 175250547 /nfs/dbraw/zinc/25/05/47/175250547.db2.gz AKPIYFKEGHDSFV-UHFFFAOYSA-N 1 0 235.327 1.600 50 0 BDAARO COc1cccc(OC2CC[NH2+]CC2)c1 ZINC000002513141 175282420 /nfs/dbraw/zinc/28/24/20/175282420.db2.gz DNZZLFXWMVOBBV-UHFFFAOYSA-N 1 0 207.273 1.826 50 0 in-vitro BDAARO COc1ccccc1CCCN1CC[NH2+]CC1 ZINC000019801378 175323022 /nfs/dbraw/zinc/32/30/22/175323022.db2.gz UIUFFOIPDGYYLO-UHFFFAOYSA-N 1 0 234.343 1.533 50 0 BDAARO COc1ccccc1CN1CC[NH+](C)CC1 ZINC000019359740 175327053 /nfs/dbraw/zinc/32/70/53/175327053.db2.gz PZMIJHJGOQEMEV-UHFFFAOYSA-N 1 0 220.316 1.443 50 0 BDAARO COc1ccccc1CN1CC[NH2+]CCC1=O ZINC000042784340 175328272 /nfs/dbraw/zinc/32/82/72/175328272.db2.gz GJOLJWHRMUWPFY-UHFFFAOYSA-N 1 0 234.299 1.017 50 0 BDAARO COc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000012359888 175342495 /nfs/dbraw/zinc/34/24/95/175342495.db2.gz QWVSMVKBNRCNFJ-SNVBAGLBSA-N 1 0 207.273 1.826 50 0 BDAARO CSC[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000170612354 175516393 /nfs/dbraw/zinc/51/63/93/175516393.db2.gz GWVRHTKBFKDMSV-VHSXEESVSA-N 1 0 217.378 1.879 50 0 BDAARO C[C@@H]([NH3+])CCNS(=O)(=O)CCC(C)(C)C ZINC000225496990 175805525 /nfs/dbraw/zinc/80/55/25/175805525.db2.gz WPXPEPWXJKDHSH-SECBINFHSA-N 1 0 236.381 1.079 50 0 BDAARO C[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)n1cccn1 ZINC000069493311 175865411 /nfs/dbraw/zinc/86/54/11/175865411.db2.gz SFAXRQFPSLQWQQ-NXEZZACHSA-N 1 0 211.309 1.193 50 0 BDAARO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH3+])C1=O ZINC000070494979 176015235 /nfs/dbraw/zinc/01/52/35/176015235.db2.gz LTCIPWRLCAOSSM-JOYOIKCWSA-N 1 0 236.290 1.836 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000019412103 176094078 /nfs/dbraw/zinc/09/40/78/176094078.db2.gz LBUYTNUCAWAENU-MNOVXSKESA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CCN(C(=O)C[NH3+])[C@@H]1c1cccc(F)c1 ZINC000237429273 176155603 /nfs/dbraw/zinc/15/56/03/176155603.db2.gz RVHOEYMLUPTPRB-RNCFNFMXSA-N 1 0 236.290 1.694 50 0 BDAARO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000096441775 176197622 /nfs/dbraw/zinc/19/76/22/176197622.db2.gz STJOBDVPGUQTKJ-NXEZZACHSA-N 1 0 237.299 1.966 50 0 BDAARO C[C@@H]1CC[C@@H](C)N1C(=O)CC1CC[NH2+]CC1 ZINC000237430342 176199164 /nfs/dbraw/zinc/19/91/64/176199164.db2.gz GWACRASLCJGGBZ-GHMZBOCLSA-N 1 0 224.348 1.776 50 0 BDAARO C[C@@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000003996225 176270938 /nfs/dbraw/zinc/27/09/38/176270938.db2.gz YRQCJPVAIPXQDQ-DGCLKSJQSA-N 1 0 205.301 1.846 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000154735698 176279828 /nfs/dbraw/zinc/27/98/28/176279828.db2.gz XZVQHRQGOCHBGS-GHMZBOCLSA-N 1 0 247.342 1.453 50 0 BDAARO C[C@@H]1CN(CCCOc2ccccc2)CC[NH2+]1 ZINC000040456393 176290151 /nfs/dbraw/zinc/29/01/51/176290151.db2.gz IHKBNNAWHIZIEW-CYBMUJFWSA-N 1 0 234.343 1.749 50 0 BDAARO C[C@@H]1C[NH+](C[C@H]2COC(C)(C)O2)C[C@@H](C)O1 ZINC000013400787 176299911 /nfs/dbraw/zinc/29/99/11/176299911.db2.gz RVQLCYUNCUDMJE-MXWKQRLJSA-N 1 0 229.320 1.247 50 0 BDAARO C[C@@H]1C[NH+](Cc2cccc(N)c2)C[C@@H](C)O1 ZINC000019264317 176306441 /nfs/dbraw/zinc/30/64/41/176306441.db2.gz SAPOZTKSZOJTJM-GHMZBOCLSA-N 1 0 220.316 1.878 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C[C@H](O)c1ccccc1 ZINC000054374496 176326432 /nfs/dbraw/zinc/32/64/32/176326432.db2.gz OFTPWUUIHZKGMS-YPMHNXCESA-N 1 0 220.316 1.014 50 0 BDAARO C[C@@H]1C[NH2+]CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000129789694 176328236 /nfs/dbraw/zinc/32/82/36/176328236.db2.gz ALMDMKAJRBAOCD-NXEZZACHSA-N 1 0 228.336 1.757 50 0 BDAARO C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000097107799 176470366 /nfs/dbraw/zinc/47/03/66/176470366.db2.gz RIHHDMHLIHMXEK-ONGXEEELSA-N 1 0 249.314 1.511 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccn1C ZINC000063192912 176766020 /nfs/dbraw/zinc/76/60/20/176766020.db2.gz ZQEKQUXDOQPKCI-QWRGUYRKSA-N 1 0 235.331 1.367 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(N)=O ZINC000095984752 176908092 /nfs/dbraw/zinc/90/80/92/176908092.db2.gz GYJJGHOZDPXPON-MNOVXSKESA-N 1 0 234.343 1.816 50 0 BDAARO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229582663 177014618 /nfs/dbraw/zinc/01/46/18/177014618.db2.gz TVYUXIAPFMRNSM-NWANDNLSSA-N 1 0 249.354 1.955 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000046858867 177075902 /nfs/dbraw/zinc/07/59/02/177075902.db2.gz MNDVIILYJAYKCD-NSHDSACASA-N 1 0 224.348 1.777 50 0 BDAARO C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCO2)C1 ZINC000046863147 177097952 /nfs/dbraw/zinc/09/79/52/177097952.db2.gz OFDHKJCTKNUNHD-RYUDHWBXSA-N 1 0 240.347 1.014 50 0 BDAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C=O)CC2)C1 ZINC000000220363 177121019 /nfs/dbraw/zinc/12/10/19/177121019.db2.gz NZYWGSAPGWWQQO-NWDGAFQWSA-N 1 0 210.321 1.339 50 0 BDAARO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1ccncc1 ZINC000069771947 177198322 /nfs/dbraw/zinc/19/83/22/177198322.db2.gz ZKWVYCKUMQPJEW-AAEUAGOBSA-N 1 0 247.342 1.210 50 0 BDAARO C[C@@H]1CC/C(=C\C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)C1 ZINC000328596530 177210877 /nfs/dbraw/zinc/21/08/77/177210877.db2.gz ZZEARNNGQWSEDS-UGQSCUOLSA-N 1 0 236.359 1.942 50 0 BDAARO C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000061920326 177221847 /nfs/dbraw/zinc/22/18/47/177221847.db2.gz GBJUGRJCSKLNMQ-AAEUAGOBSA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000019512993 177221942 /nfs/dbraw/zinc/22/19/42/177221942.db2.gz HJMJZDVMWMDIGL-LOWVWBTDSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@H]1C[NH2+]CC[C@@H]1CNC(=O)OC(C)(C)C ZINC000129789884 177284691 /nfs/dbraw/zinc/28/46/91/177284691.db2.gz ALMDMKAJRBAOCD-VHSXEESVSA-N 1 0 228.336 1.757 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000012418146 177390002 /nfs/dbraw/zinc/39/00/02/177390002.db2.gz XBSAFBRZYGZLRO-JQWIXIFHSA-N 1 0 230.311 1.716 50 0 BDAARO Cc1c(C[NH2+][C@H](C)C[C@@H]2CCOC2)cnn1C ZINC000095975171 177594851 /nfs/dbraw/zinc/59/48/51/177594851.db2.gz WLNQOCSSZMZVBS-PWSUYJOCSA-N 1 0 237.347 1.633 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000493453721 226220367 /nfs/dbraw/zinc/22/03/67/226220367.db2.gz PHRMZIMBDVBNJD-FWWRYZNZSA-N 1 0 248.301 1.789 50 0 BDAARO COCCOCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395413534 262787487 /nfs/dbraw/zinc/78/74/87/262787487.db2.gz WQFFTCCDXCXYQZ-LBPRGKRZSA-N 1 0 245.363 1.132 50 0 BDAARO C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000097103979 487831706 /nfs/dbraw/zinc/83/17/06/487831706.db2.gz KXSABBSWPRZXQW-RYUDHWBXSA-N 1 0 228.380 1.731 50 0 BDAARO Cc1cc[nH+]c(NC[C@H](CO)[C@H]2CCOC2)c1 ZINC000684601894 487945018 /nfs/dbraw/zinc/94/50/18/487945018.db2.gz JIZYWIPXJSTKCP-NWDGAFQWSA-N 1 0 236.315 1.447 50 0 BDAARO O=C([C@@H]1CC=CCC1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534584935 323154186 /nfs/dbraw/zinc/15/41/86/323154186.db2.gz UUWHKFYLESZLQU-RGDJUOJXSA-N 1 0 246.354 1.552 50 0 BDAARO [NH3+][C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000534632388 323156791 /nfs/dbraw/zinc/15/67/91/323156791.db2.gz UVUGZJJONNMFLC-SECBINFHSA-N 1 0 245.248 1.633 50 0 BDAARO O=C(C[NH+]1CCCC1)NCC[C@H]1CCCOC1 ZINC000534656854 323157965 /nfs/dbraw/zinc/15/79/65/323157965.db2.gz LHJIRCUTTMQVIE-GFCCVEGCSA-N 1 0 240.347 1.015 50 0 BDAARO Cc1c[nH]c(C(=O)NC[C@@H](C(C)C)[NH+](C)C)n1 ZINC000534658074 323157986 /nfs/dbraw/zinc/15/79/86/323157986.db2.gz DIJOQQGSGQYOJC-JTQLQIEISA-N 1 0 238.335 1.034 50 0 BDAARO CC(C)[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000123845120 324603988 /nfs/dbraw/zinc/60/39/88/324603988.db2.gz MOLNISCZMZHODP-UHFFFAOYSA-N 1 0 216.325 1.851 50 0 BDAARO C[N@H+](CC1CCC1)[C@H]1CCC[C@@H]1S(C)(=O)=O ZINC000084093991 488003471 /nfs/dbraw/zinc/00/34/71/488003471.db2.gz GJULPFBKSSPPMM-RYUDHWBXSA-N 1 0 245.388 1.684 50 0 BDAARO CCNC(=O)C[N@H+](C)[C@H](C)Cc1ccsc1 ZINC000084790997 488096598 /nfs/dbraw/zinc/09/65/98/488096598.db2.gz KTAVPGZGIRMYST-SNVBAGLBSA-N 1 0 240.372 1.747 50 0 BDAARO CCNC(=O)C[N@H+](C)[C@@H](C)Cc1ccsc1 ZINC000084790996 488096697 /nfs/dbraw/zinc/09/66/97/488096697.db2.gz KTAVPGZGIRMYST-JTQLQIEISA-N 1 0 240.372 1.747 50 0 BDAARO CCSC[C@@H](C)[NH2+]CCc1ncnn1C ZINC000670467094 487520190 /nfs/dbraw/zinc/52/01/90/487520190.db2.gz XRUKPGXLTROVQU-SECBINFHSA-N 1 0 228.365 1.089 50 0 BDAARO CCSC[C@H](C)[NH2+]CCc1ncnn1C ZINC000670467095 487520321 /nfs/dbraw/zinc/52/03/21/487520321.db2.gz XRUKPGXLTROVQU-VIFPVBQESA-N 1 0 228.365 1.089 50 0 BDAARO C[C@H]([NH2+]CCC(N)=O)c1cccc(Cl)c1 ZINC000032514516 488147448 /nfs/dbraw/zinc/14/74/48/488147448.db2.gz VSZJXXWIQRUOHN-QMMMGPOBSA-N 1 0 226.707 1.866 50 0 BDAARO Cn1cc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cn1 ZINC000085334816 488161487 /nfs/dbraw/zinc/16/14/87/488161487.db2.gz GACFCWQVCMSVKQ-KBPBESRZSA-N 1 0 243.310 1.168 50 0 BDAARO CNC(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000071788732 490278261 /nfs/dbraw/zinc/27/82/61/490278261.db2.gz XLFOXUXXHLPLOD-UHFFFAOYSA-N 1 0 218.300 1.513 50 0 BDAARO CC(=O)NCC[NH2+][C@H](C)Cc1ccccc1C ZINC000097103939 490317762 /nfs/dbraw/zinc/31/77/62/490317762.db2.gz NFXAWYMQKBXZIH-GFCCVEGCSA-N 1 0 234.343 1.652 50 0 BDAARO CCC(CC)C[N@@H+]1CCO[C@H](COC)C1 ZINC000179885265 521525857 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/nfs/dbraw/zinc/97/44/61/538974461.db2.gz CSQGWRLJGRIVBZ-UHFFFAOYSA-N 1 0 217.272 1.934 50 0 BDAARO Nc1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000009879378 342829164 /nfs/dbraw/zinc/82/91/64/342829164.db2.gz UOFGVNBTBSIFTR-CYBMUJFWSA-N 1 0 220.316 1.788 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000011754417 342843122 /nfs/dbraw/zinc/84/31/22/342843122.db2.gz DHGXXNNPGNHFHF-NSHDSACASA-N 1 0 216.284 1.328 50 0 BDAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(N)=O ZINC000012653394 342856082 /nfs/dbraw/zinc/85/60/82/342856082.db2.gz RODFWRRWTVZHGA-WCQYABFASA-N 1 0 245.326 1.681 50 0 biogenic BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+][C@@H]2C1 ZINC000012506736 342852997 /nfs/dbraw/zinc/85/29/97/342852997.db2.gz VGJOEEIXDPWTAZ-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1[nH]ncc1Cl ZINC000032611216 342855385 /nfs/dbraw/zinc/85/53/85/342855385.db2.gz OAKBJDYDKLJBEH-UHFFFAOYSA-N 1 0 244.726 1.135 50 0 BDAARO C[C@]1(c2ccccc2)CCC[N@H+](CCC(N)=O)C1 ZINC000091965265 398304279 /nfs/dbraw/zinc/30/42/79/398304279.db2.gz HIGUWDNQTQIIQS-HNNXBMFYSA-N 1 0 246.354 1.916 50 0 BDAARO C[C@@H](CO)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000035624241 342890726 /nfs/dbraw/zinc/89/07/26/342890726.db2.gz IOEOGIAAKPDVAL-LBPRGKRZSA-N 1 0 245.326 1.402 50 0 BDAARO C[NH+]1CCC(NCc2ccccn2)CC1 ZINC000016189029 342907867 /nfs/dbraw/zinc/90/78/67/342907867.db2.gz SCFPQNGHMLSYHX-UHFFFAOYSA-N 1 0 205.305 1.265 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000041028516 178464138 /nfs/dbraw/zinc/46/41/38/178464138.db2.gz RPKLPBBLNWJEIR-GFCCVEGCSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000124730168 398339045 /nfs/dbraw/zinc/33/90/45/398339045.db2.gz ZBQUKHKHLPKHRB-JSGCOSHPSA-N 1 0 246.354 1.876 50 0 BDAARO Cc1sc2[nH]c(CC[NH3+])nc(=O)c2c1C ZINC000019090570 342941299 /nfs/dbraw/zinc/94/12/99/342941299.db2.gz DXMIVLLEJCQWMV-UHFFFAOYSA-N 1 0 223.301 1.103 50 0 BDAARO CC[NH+]1CCN(Cc2cccc(OC)c2)CC1 ZINC000019536984 342951241 /nfs/dbraw/zinc/95/12/41/342951241.db2.gz FWMRYKAXAJEZIO-UHFFFAOYSA-N 1 0 234.343 1.833 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000019408342 342947774 /nfs/dbraw/zinc/94/77/74/342947774.db2.gz NPTOUQLGBCRBEK-LLVKDONJSA-N 1 0 218.300 1.933 50 0 BDAARO Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000019410948 342947815 /nfs/dbraw/zinc/94/78/15/342947815.db2.gz KKHRWZACIBGZHA-UHFFFAOYSA-N 1 0 218.300 1.933 50 0 BDAARO Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000019772568 342957078 /nfs/dbraw/zinc/95/70/78/342957078.db2.gz GZJVTMVMILIYHD-LBPRGKRZSA-N 1 0 239.340 1.272 50 0 BDAARO Clc1cccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)c1 ZINC000019796099 342958221 /nfs/dbraw/zinc/95/82/21/342958221.db2.gz IRHUANWOGPQCIS-VXGBXAGGSA-N 1 0 222.719 1.886 50 0 BDAARO CC(C)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000019722287 342954625 /nfs/dbraw/zinc/95/46/25/342954625.db2.gz PMJSHRYFJFJQMK-UHFFFAOYSA-N 1 0 206.289 1.531 50 0 BDAARO Cc1ccsc1C[NH2+]CCN1CCOCC1 ZINC000019871626 342960454 /nfs/dbraw/zinc/96/04/54/342960454.db2.gz BBWANXJRQSIFJY-UHFFFAOYSA-N 1 0 240.372 1.478 50 0 BDAARO CC(C)(C[NH2+]Cc1cccnc1)N1CCOCC1 ZINC000020120587 342969714 /nfs/dbraw/zinc/96/97/14/342969714.db2.gz NQUNGHZLLIBSNC-UHFFFAOYSA-N 1 0 249.358 1.282 50 0 BDAARO CC[C@@H](C)C[NH2+]CCc1nnc2ccccn21 ZINC000020128284 342970760 /nfs/dbraw/zinc/97/07/60/342970760.db2.gz WLKKMJKEJURMRP-LLVKDONJSA-N 1 0 232.331 1.908 50 0 BDAARO O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccccc1 ZINC000020055604 342967530 /nfs/dbraw/zinc/96/75/30/342967530.db2.gz VEEZSQSLLPIGMR-LBPRGKRZSA-N 1 0 234.299 1.394 50 0 BDAARO Cc1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000020080885 342968386 /nfs/dbraw/zinc/96/83/86/342968386.db2.gz IXRSALZMDNNZTN-UHFFFAOYSA-N 1 0 204.317 1.790 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1cccc(C)c1 ZINC000020579330 342991706 /nfs/dbraw/zinc/99/17/06/342991706.db2.gz CNQSDZIRRVQLFL-NSHDSACASA-N 1 0 207.273 1.285 50 0 BDAARO CC[NH+]1CCC(NC(=O)Cc2ccccc2)CC1 ZINC000020608753 342992166 /nfs/dbraw/zinc/99/21/66/342992166.db2.gz NXQWJOQVXXKFON-UHFFFAOYSA-N 1 0 246.354 1.830 50 0 BDAARO CCN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000020362734 342984090 /nfs/dbraw/zinc/98/40/90/342984090.db2.gz GOSKWGVKXMQDOZ-CYBMUJFWSA-N 1 0 232.327 1.787 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000020457457 342985746 /nfs/dbraw/zinc/98/57/46/342985746.db2.gz MKVTWSAOPPSXFS-LLVKDONJSA-N 1 0 238.718 1.903 50 0 BDAARO CC(C)(C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000022145498 343042214 /nfs/dbraw/zinc/04/22/14/343042214.db2.gz DEATYDKMLVKYEK-UHFFFAOYSA-N 1 0 206.289 1.674 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000005770852 343054784 /nfs/dbraw/zinc/05/47/84/343054784.db2.gz UEKCCTGUWXNLDT-LBPRGKRZSA-N 1 0 249.310 1.620 50 0 BDAARO O=c1[nH]cccc1-c1cccc2c1CC[NH2+]C2 ZINC000072159035 343062198 /nfs/dbraw/zinc/06/21/98/343062198.db2.gz HPZGTPODIDKWSZ-UHFFFAOYSA-N 1 0 226.279 1.688 50 0 BDAARO NNc1cc(Oc2ccccc2)nc[nH+]1 ZINC000032951434 343107000 /nfs/dbraw/zinc/10/70/00/343107000.db2.gz PTUHBEOIFWABHB-UHFFFAOYSA-N 1 0 202.217 1.555 50 0 BDAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000032496993 343236050 /nfs/dbraw/zinc/23/60/50/343236050.db2.gz NJRQALNDVRORSR-LLVKDONJSA-N 1 0 208.305 1.854 50 0 BDAARO CN(C(=O)c1ccoc1)C1CC[NH+](C)CC1 ZINC000032842902 343243063 /nfs/dbraw/zinc/24/30/63/343243063.db2.gz UMTOFWSVQRRGOX-UHFFFAOYSA-N 1 0 222.288 1.446 50 0 BDAARO CCN1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000280469 343269540 /nfs/dbraw/zinc/26/95/40/343269540.db2.gz KIDHIAQSMIHXPR-GFCCVEGCSA-N 1 0 226.364 1.175 50 0 BDAARO CCN(CC[NH+](C)C)Cc1ccc(O)cc1 ZINC000022455571 343272526 /nfs/dbraw/zinc/27/25/26/343272526.db2.gz KZYXTRLKERTDLD-UHFFFAOYSA-N 1 0 222.332 1.776 50 0 BDAARO Cc1ccc2oc(N3CCC[NH2+]CC3)nc2n1 ZINC000034924887 343280537 /nfs/dbraw/zinc/28/05/37/343280537.db2.gz HLUSEEWUHPAITI-UHFFFAOYSA-N 1 0 232.287 1.331 50 0 BDAARO [NH3+][C@H](CO)c1cccc(Br)c1 ZINC000038124675 343371575 /nfs/dbraw/zinc/37/15/75/343371575.db2.gz NWQRKZFQSCBVEY-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO [NH3+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000038124670 343371992 /nfs/dbraw/zinc/37/19/92/343371992.db2.gz JWTHBJZFPGRTLL-SSDOTTSWSA-N 1 0 221.178 1.577 50 0 BDAARO C[C@H]([NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000038343284 343374200 /nfs/dbraw/zinc/37/42/00/343374200.db2.gz NOQQJKCCOAPYQL-QMMMGPOBSA-N 1 0 206.245 1.663 50 0 BDAARO O=C([C@@H]1C[C@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000038478293 343375532 /nfs/dbraw/zinc/37/55/32/343375532.db2.gz YCLPEQPVIBGQNZ-NXEZZACHSA-N 1 0 236.340 1.283 50 0 BDAARO CCS(=O)(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000037372906 343343791 /nfs/dbraw/zinc/34/37/91/343343791.db2.gz PFBQRNREMNZVCF-UHFFFAOYSA-N 1 0 240.328 1.094 50 0 BDAARO CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000335648913 136304539 /nfs/dbraw/zinc/30/45/39/136304539.db2.gz JFUOYFZIWCOHQU-NSHDSACASA-N 1 0 239.363 1.426 50 0 BDAARO O=C(OC[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000042769482 343451048 /nfs/dbraw/zinc/45/10/48/343451048.db2.gz YDNBRKOJHSABET-JTQLQIEISA-N 1 0 220.272 1.238 50 0 BDAARO O=C(OCC[C@@H]1CCC[NH2+]C1)C1CCC1 ZINC000042769278 343451167 /nfs/dbraw/zinc/45/11/67/343451167.db2.gz RSEKWFGJDKDEGG-JTQLQIEISA-N 1 0 211.305 1.719 50 0 BDAARO O=C(OCCC1CC[NH2+]CC1)c1ccncc1 ZINC000042768305 343451356 /nfs/dbraw/zinc/45/13/56/343451356.db2.gz GQQKVBYNIAKATI-UHFFFAOYSA-N 1 0 234.299 1.628 50 0 BDAARO Clc1cncc(OCCC2CC[NH2+]CC2)n1 ZINC000042774114 343452332 /nfs/dbraw/zinc/45/23/32/343452332.db2.gz CNVBJHOJZDOZHZ-UHFFFAOYSA-N 1 0 241.722 1.899 50 0 BDAARO CCc1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1 ZINC000067908219 343907505 /nfs/dbraw/zinc/90/75/05/343907505.db2.gz DBJXQANRNCPFNY-CQSZACIVSA-N 1 0 246.358 1.619 50 0 BDAARO Cc1ccc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)o1 ZINC000072475569 344114578 /nfs/dbraw/zinc/11/45/78/344114578.db2.gz RFAYGZPZWQUNCN-WDEREUQCSA-N 1 0 236.315 1.374 50 0 BDAARO C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccnc2)C1(C)C ZINC000585140251 344172935 /nfs/dbraw/zinc/17/29/35/344172935.db2.gz AUVKODFOUVHIKV-RYUDHWBXSA-N 1 0 247.342 1.540 50 0 BDAARO Cc1nc(CN2CCOC(F)(F)C2)[nH]c1C ZINC000585135960 344148193 /nfs/dbraw/zinc/14/81/93/344148193.db2.gz KMYOWZKYCDYVTQ-UHFFFAOYSA-N 1 0 231.246 1.452 50 0 BDAARO CC(C)[NH+]1CCC(N2Cc3cnn(C)c3C2)CC1 ZINC000585136186 344148811 /nfs/dbraw/zinc/14/88/11/344148811.db2.gz VDEUOSDIJLFFHU-UHFFFAOYSA-N 1 0 248.374 1.609 50 0 BDAARO CCC[C@@H]1CN(c2cnccn2)CC[NH2+]1 ZINC000585139268 344151435 /nfs/dbraw/zinc/15/14/35/344151435.db2.gz PHBCRNKRTJXGOI-SNVBAGLBSA-N 1 0 206.293 1.055 50 0 BDAARO CC(C)[C@@H](CNCc1cncnc1)[NH+]1CCCC1 ZINC000054767176 344246047 /nfs/dbraw/zinc/24/60/47/344246047.db2.gz MSJXYQVNPPFRCJ-CQSZACIVSA-N 1 0 248.374 1.687 50 0 BDAARO CC1(C)C[N@H+](Cc2ccccc2)C[C@@H](CO)O1 ZINC000091692674 344283526 /nfs/dbraw/zinc/28/35/26/344283526.db2.gz RKNCXMQRTZZKDM-ZDUSSCGKSA-N 1 0 235.327 1.658 50 0 BDAARO NC(=O)C[NH2+]CCCc1cc(Cl)ccc1O ZINC000396176056 344637785 /nfs/dbraw/zinc/63/77/85/344637785.db2.gz WCUUIZKLTDHREU-UHFFFAOYSA-N 1 0 242.706 1.053 50 0 BDAARO Cc1n[nH]cc1C[NH2+]CC[C@H]1CCCO1 ZINC000038096170 344781683 /nfs/dbraw/zinc/78/16/83/344781683.db2.gz XIVFRUFGNMLHEQ-LLVKDONJSA-N 1 0 209.293 1.377 50 0 BDAARO S=C1N[C@@H]2CCCC[C@@H]2N1C[NH+]1CCCC1 ZINC000033688266 344902628 /nfs/dbraw/zinc/90/26/28/344902628.db2.gz JFHUKDUHJMPSOQ-MNOVXSKESA-N 1 0 239.388 1.541 50 0 BDAARO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)s1 ZINC000090849290 178891277 /nfs/dbraw/zinc/89/12/77/178891277.db2.gz FOGIEAXULJVSPO-JQWIXIFHSA-N 1 0 241.356 1.859 50 0 BDAARO CC1(C)COCC[N@@H+]1CC1CCOCC1 ZINC000095958886 346084793 /nfs/dbraw/zinc/08/47/93/346084793.db2.gz AGAPXLMCNXQOMA-UHFFFAOYSA-N 1 0 213.321 1.524 50 0 BDAARO C[C@H]([NH2+][C@@H](C)C1CCC1)c1nnnn1C1CC1 ZINC000192887614 346103963 /nfs/dbraw/zinc/10/39/63/346103963.db2.gz XUGYQXJWABEJJF-IUCAKERBSA-N 1 0 235.335 1.847 50 0 BDAARO CN(C)c1ccc([PH+](N(C)C)N(C)C)cc1 ZINC000003164905 346227483 /nfs/dbraw/zinc/22/74/83/346227483.db2.gz WCVJLSREVLVBBH-UHFFFAOYSA-N 1 0 239.303 1.813 50 0 BDAARO Cc1cccc(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000071412897 179053036 /nfs/dbraw/zinc/05/30/36/179053036.db2.gz CFUIQIOTOKSRSJ-TZMCWYRMSA-N 1 0 246.354 1.652 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000003684177 179076135 /nfs/dbraw/zinc/07/61/35/179076135.db2.gz IEQVIRPBXZULDT-ZDUSSCGKSA-N 1 0 205.301 1.952 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]C[C@H]1F ZINC000148821095 346460634 /nfs/dbraw/zinc/46/06/34/346460634.db2.gz UMQUBAWDZABAPY-JGVFFNPUSA-N 1 0 218.272 1.069 50 0 BDAARO Cc1cccc(C[NH2+]CC[S@](C)=O)c1 ZINC000089669522 179091801 /nfs/dbraw/zinc/09/18/01/179091801.db2.gz IMJRKLOIHNQTEL-CQSZACIVSA-N 1 0 211.330 1.463 50 0 BDAARO CCC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000005069263 346609379 /nfs/dbraw/zinc/60/93/79/346609379.db2.gz CAISINLRBNRGLU-UHFFFAOYSA-N 1 0 247.342 1.787 50 0 BDAARO Cc1cccc(NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000097096577 179146996 /nfs/dbraw/zinc/14/69/96/179146996.db2.gz ODHGSIQDTLHDAS-CYBMUJFWSA-N 1 0 248.374 1.438 50 0 BDAARO C[C@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082383126 259394336 /nfs/dbraw/zinc/39/43/36/259394336.db2.gz WKBDQHQZEPPWBJ-YUMQZZPRSA-N 1 0 200.282 1.343 50 0 BDAARO CC[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC000016603304 347195927 /nfs/dbraw/zinc/19/59/27/347195927.db2.gz LJYZQYHTSZSZCV-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246132 179257735 /nfs/dbraw/zinc/25/77/35/179257735.db2.gz IZWUTCFBFDPKJV-GFCCVEGCSA-N 1 0 232.327 1.345 50 0 BDAARO Cc1ccccc1CC(=O)N1CCC[C@H]1C[NH3+] ZINC000111366365 179257584 /nfs/dbraw/zinc/25/75/84/179257584.db2.gz IHHWGUQDRPCEPL-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000195554201 347638703 /nfs/dbraw/zinc/63/87/03/347638703.db2.gz HOSUZHBZMRYVRV-NSHDSACASA-N 1 0 224.304 1.756 50 0 BDAARO CC(C)[C@@H](C(=O)Nc1ccncc1O)[NH+](C)C ZINC000195557076 347641166 /nfs/dbraw/zinc/64/11/66/347641166.db2.gz HQADLSLUZSXRKW-NSHDSACASA-N 1 0 237.303 1.312 50 0 BDAARO O=C(COC1CCCCC1)NC[C@@H]1CC[NH2+]C1 ZINC000195559566 347646705 /nfs/dbraw/zinc/64/67/05/347646705.db2.gz WIRNNZGBRDYWLW-LLVKDONJSA-N 1 0 240.347 1.061 50 0 BDAARO Cc1ccccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717060 179280838 /nfs/dbraw/zinc/28/08/38/179280838.db2.gz KVBJSNLKVAGTFH-UHFFFAOYSA-N 1 0 235.327 1.626 50 0 BDAARO Cc1ccccc1C[NH+]1CCN(CCO)CC1 ZINC000019607123 179272955 /nfs/dbraw/zinc/27/29/55/179272955.db2.gz FAIGQMBNLWMZQD-UHFFFAOYSA-N 1 0 234.343 1.105 50 0 BDAARO Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193563210 179282236 /nfs/dbraw/zinc/28/22/36/179282236.db2.gz RJOHUIMPKRRQJP-YPMHNXCESA-N 1 0 232.327 1.609 50 0 BDAARO Cc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019408806 179302049 /nfs/dbraw/zinc/30/20/49/179302049.db2.gz PCKQAGANWWJAKB-LLVKDONJSA-N 1 0 218.300 1.933 50 0 BDAARO Cc1ccccc1[C@H](C)NC(=O)C(C)(C)[NH3+] ZINC000040925525 179336256 /nfs/dbraw/zinc/33/62/56/179336256.db2.gz SLCNONBDSOGJET-JTQLQIEISA-N 1 0 220.316 1.910 50 0 BDAARO CC(C)C[C@H](C)[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000229176829 187391492 /nfs/dbraw/zinc/39/14/92/187391492.db2.gz DETCWKVGBDEISD-UONOGXRCSA-N 1 0 242.407 1.810 50 0 BDAARO CN(C)C(=O)c1cccc(C2CC[NH2+]CC2)n1 ZINC000019686719 348558101 /nfs/dbraw/zinc/55/81/01/348558101.db2.gz OJNIXGZEYAVYQB-UHFFFAOYSA-N 1 0 233.315 1.250 50 0 BDAARO C[n+]1ccccc1COc1ccc(C(N)=O)cc1 ZINC000000387350 187408105 /nfs/dbraw/zinc/40/81/05/187408105.db2.gz ZPIVSGMPWZYQMP-UHFFFAOYSA-O 1 0 243.286 1.189 50 0 BDAARO CCNC(=O)NCC1([NH3+])CCC(C(C)C)CC1 ZINC000725254998 538049856 /nfs/dbraw/zinc/04/98/56/538049856.db2.gz NHIRTEWEGWEXHM-UHFFFAOYSA-N 1 0 241.379 1.849 50 0 BDAARO C[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725256148 538055372 /nfs/dbraw/zinc/05/53/72/538055372.db2.gz VDEHQPCRVXXZQR-ZWNOBZJWSA-N 1 0 240.347 1.995 50 0 BDAARO Cc1[nH+]c2cc(N)ccc2n1CCCO ZINC000006681878 180081941 /nfs/dbraw/zinc/08/19/41/180081941.db2.gz JHZTYPZGMYRVER-UHFFFAOYSA-N 1 0 205.261 1.309 50 0 BDAARO CC[C@H](C)C12CN3CC(C)(C[N@H+](C1)CC3)[C@H]2O ZINC000022859845 350151543 /nfs/dbraw/zinc/15/15/43/350151543.db2.gz UDVYIQVABLPQMT-MRFVTOPCSA-N 1 0 238.375 1.031 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000101346058 191064036 /nfs/dbraw/zinc/06/40/36/191064036.db2.gz VMUXGMBHACBHJJ-GUBZILKMSA-N 1 0 226.320 1.591 50 0 BDAARO CCN(CC)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000091962067 538068666 /nfs/dbraw/zinc/06/86/66/538068666.db2.gz RPHLFUOMFHFZDR-GFCCVEGCSA-N 1 0 235.331 1.738 50 0 BDAARO CC1(C)CC(NC(=O)C2CC2)CC(C)(C)[NH2+]1 ZINC000032719934 350209253 /nfs/dbraw/zinc/20/92/53/350209253.db2.gz VDWRFSIMPXXZPM-UHFFFAOYSA-N 1 0 224.348 1.822 50 0 BDAARO Cc1ncccc1OC[C@H]1CCC[NH2+]C1 ZINC000019045340 180227520 /nfs/dbraw/zinc/22/75/20/180227520.db2.gz KVOGKFWZRAPRPY-NSHDSACASA-N 1 0 206.289 1.768 50 0 BDAARO Cc1ccc(C[NH2+]CCS(C)(=O)=O)s1 ZINC000037740648 350288974 /nfs/dbraw/zinc/28/89/74/350288974.db2.gz RVVHAIJLFGVXAD-UHFFFAOYSA-N 1 0 233.358 1.191 50 0 BDAARO Cc1nn(-c2ccccn2)c(C)c1CC[NH3+] ZINC000020397172 180330255 /nfs/dbraw/zinc/33/02/55/180330255.db2.gz CYTTYUOWSNHCFY-UHFFFAOYSA-N 1 0 216.288 1.385 50 0 BDAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CCn1cncn1 ZINC000076146985 362982184 /nfs/dbraw/zinc/98/21/84/362982184.db2.gz NJXXGWDQBDHXFI-QWRGUYRKSA-N 1 0 240.376 1.494 50 0 BDAARO C(O[C@H]1CCOC2(CC[NH2+]CC2)C1)C1CC1 ZINC000169676298 187475398 /nfs/dbraw/zinc/47/53/98/187475398.db2.gz YBZPZCSLOSTNFC-LBPRGKRZSA-N 1 0 225.332 1.714 50 0 BDAARO Clc1cccc2nnc(C3CC[NH2+]CC3)n21 ZINC000074376048 180593999 /nfs/dbraw/zinc/59/39/99/180593999.db2.gz MLZQLYRCWXWOPQ-UHFFFAOYSA-N 1 0 236.706 1.850 50 0 BDAARO Clc1nccc(OC2CC[NH2+]CC2)n1 ZINC000020358086 180602373 /nfs/dbraw/zinc/60/23/73/180602373.db2.gz FVNARMLYKIDRJA-UHFFFAOYSA-N 1 0 213.668 1.261 50 0 BDAARO CSCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000229419870 353152192 /nfs/dbraw/zinc/15/21/92/353152192.db2.gz AXZMEPUJJQFTQK-WDEREUQCSA-N 1 0 242.388 1.435 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000004202982 188101824 /nfs/dbraw/zinc/10/18/24/188101824.db2.gz AKVIZYGPJIWKOS-BDAKNGLRSA-N 1 0 214.309 1.781 50 0 BDAARO C[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000012370545 188104751 /nfs/dbraw/zinc/10/47/51/188104751.db2.gz RXKBCAGRFVIQTK-UHFFFAOYSA-N 1 0 201.273 1.651 50 0 BDAARO COc1ccc([C@@H]([NH3+])CO)c2ccccc12 ZINC000012404637 188105266 /nfs/dbraw/zinc/10/52/66/188105266.db2.gz COSARAPTEFAJJY-LBPRGKRZSA-N 1 0 217.268 1.841 50 0 BDAARO CC(C)[C@H](C)[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000014221053 188106478 /nfs/dbraw/zinc/10/64/78/188106478.db2.gz WOVSGMPFFGTZLR-JOYOIKCWSA-N 1 0 238.306 1.986 50 0 BDAARO CC(C)Cc1noc([C@H]2CCC[NH2+]C2)n1 ZINC000019089652 188106644 /nfs/dbraw/zinc/10/66/44/188106644.db2.gz APINFVMTWMDIIJ-VIFPVBQESA-N 1 0 209.293 1.735 50 0 BDAARO CN(C)c1cncc(C2CC[NH2+]CC2)n1 ZINC000019686773 188107911 /nfs/dbraw/zinc/10/79/11/188107911.db2.gz LNIQXTDISCAKFF-UHFFFAOYSA-N 1 0 206.293 1.010 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000044315742 188122507 /nfs/dbraw/zinc/12/25/07/188122507.db2.gz FMKYQXVXHHZPRM-SECBINFHSA-N 1 0 208.261 1.009 50 0 BDAARO CC(=O)N1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC000082952490 188140397 /nfs/dbraw/zinc/14/03/97/188140397.db2.gz DLVLRGKDKMWYFZ-GFCCVEGCSA-N 1 0 210.321 1.387 50 0 BDAARO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000095982240 188148038 /nfs/dbraw/zinc/14/80/38/188148038.db2.gz KCEHZIMSQLELNY-FWLQQBITSA-N 1 0 244.338 1.897 50 0 BDAARO C/C(=C\C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000269178748 188198089 /nfs/dbraw/zinc/19/80/89/188198089.db2.gz ZQVPCTKVPUTDQL-UTSBKAFOSA-N 1 0 248.301 1.789 50 0 BDAARO CC(C)(C)c1ccc(CNC(N)=[NH2+])cc1 ZINC000060055025 188183824 /nfs/dbraw/zinc/18/38/24/188183824.db2.gz ZFJZOVYIQWROQR-UHFFFAOYSA-N 1 0 205.305 1.967 50 0 BDAARO C[NH2+]Cc1ccc2cccc(OC)c2n1 ZINC000062568879 188185431 /nfs/dbraw/zinc/18/54/31/188185431.db2.gz KTVJPNBUHUYULY-UHFFFAOYSA-N 1 0 202.257 1.963 50 0 biogenic BDAARO CC(C)[N@H+](CCOCCO)[C@@H]1C=CCCC1 ZINC000252510062 188192845 /nfs/dbraw/zinc/19/28/45/188192845.db2.gz ZAYQIRMWSWZDKG-CYBMUJFWSA-N 1 0 227.348 1.814 50 0 BDAARO Fc1ccc(OCCCNC2=[NH+]CCN2)cc1 ZINC000065520258 180979500 /nfs/dbraw/zinc/97/95/00/180979500.db2.gz AQGFWBKPSDNQEK-UHFFFAOYSA-N 1 0 237.278 1.143 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)COC1CCCC1 ZINC000016648620 353554321 /nfs/dbraw/zinc/55/43/21/353554321.db2.gz TXWLCOUQZDIBGN-JTQLQIEISA-N 1 0 215.337 1.695 50 0 BDAARO Fc1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000005928273 181003386 /nfs/dbraw/zinc/00/33/86/181003386.db2.gz BEHWECGZOPAKRV-NSHDSACASA-N 1 0 217.247 1.784 50 0 BDAARO CC1(C)[C@H]([NH2+]Cc2ccncc2F)C[C@@H]1O ZINC000334735938 354536582 /nfs/dbraw/zinc/53/65/82/354536582.db2.gz XLFRCRPCQIZEIN-MNOVXSKESA-N 1 0 224.279 1.470 50 0 BDAARO NC(=[NH2+])Cc1ccc(Br)cc1 ZINC000001437880 181186515 /nfs/dbraw/zinc/18/65/15/181186515.db2.gz UZAORPZGWBQCRV-UHFFFAOYSA-N 1 0 213.078 1.928 50 0 BDAARO NC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000106760085 181190276 /nfs/dbraw/zinc/19/02/76/181190276.db2.gz FHLGXFQFRDZHKY-ZDUSSCGKSA-N 1 0 246.358 1.524 50 0 BDAARO N=C(NC(N)=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000000089404 181187821 /nfs/dbraw/zinc/18/78/21/181187821.db2.gz ISWYMEZLJNBVDA-UHFFFAOYSA-N 1 0 246.101 1.823 50 0 BDAARO NC(=[NH2+])Nc1nc2cc(Cl)ccc2[nH]1 ZINC000000408378 181190668 /nfs/dbraw/zinc/19/06/68/181190668.db2.gz IFYPQHGXCVZZMW-UHFFFAOYSA-N 1 0 209.640 1.522 50 0 BDAARO NC(=[NH2+])SCC(=O)Nc1ccccc1Cl ZINC000013913996 181190997 /nfs/dbraw/zinc/19/09/97/181190997.db2.gz CJMLPLCMLHSYJZ-UHFFFAOYSA-N 1 0 243.719 1.905 50 0 BDAARO NC(=[NH2+])NCc1ccccc1Br ZINC000000494671 181191518 /nfs/dbraw/zinc/19/15/18/181191518.db2.gz VEWFHMVVHGDNPE-UHFFFAOYSA-N 1 0 228.093 1.432 50 0 BDAARO NC(=[NH2+])c1cccc(OCc2cccnc2)c1 ZINC000019477437 181196039 /nfs/dbraw/zinc/19/60/39/181196039.db2.gz MBPBGANGNPZIAM-UHFFFAOYSA-N 1 0 227.267 1.945 50 0 BDAARO [NH2+]=C(NCCOc1ccccc1)NC1CC1 ZINC000052043626 181198643 /nfs/dbraw/zinc/19/86/43/181198643.db2.gz YMTGQLBEYXUXCC-UHFFFAOYSA-N 1 0 219.288 1.342 50 0 BDAARO NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000000216282 181217358 /nfs/dbraw/zinc/21/73/58/181217358.db2.gz PWNXCOLDAFFBMJ-UHFFFAOYSA-N 1 0 236.290 1.523 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000000000746 355889706 /nfs/dbraw/zinc/88/97/06/355889706.db2.gz XWTYSIMOBUGWOL-NSHDSACASA-N 1 0 225.288 1.519 50 0 fda BDAARO NC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000004988952 181218018 /nfs/dbraw/zinc/21/80/18/181218018.db2.gz OKUSHWPPJJOZGQ-UHFFFAOYSA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)COc1ccccc1C[NH2+]C1CCCC1 ZINC000006703013 181239039 /nfs/dbraw/zinc/23/90/39/181239039.db2.gz FDOTUBQCPNXSBN-UHFFFAOYSA-N 1 0 248.326 1.583 50 0 BDAARO NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006699703 181231119 /nfs/dbraw/zinc/23/11/19/181231119.db2.gz BTJVFOMLHDYBGE-UHFFFAOYSA-N 1 0 232.327 1.426 50 0 BDAARO NC(=O)C[C@@H]1CCCC[N@@H+]1CCCCCF ZINC000225466174 181243725 /nfs/dbraw/zinc/24/37/25/181243725.db2.gz KMCRWKWWHNPMGT-NSHDSACASA-N 1 0 230.327 1.856 50 0 BDAARO C[C@]12CC[N@H+](CCCO)C[C@H]1C2(F)F ZINC000336114777 134088134 /nfs/dbraw/zinc/08/81/34/134088134.db2.gz APWSGZVCIQDEQP-BDAKNGLRSA-N 1 0 205.248 1.346 50 0 BDAARO O=C(OCc1ccccc1)C1CC[NH2+]CC1 ZINC000034544204 356367866 /nfs/dbraw/zinc/36/78/66/356367866.db2.gz BLBHAAHASZMYPI-UHFFFAOYSA-N 1 0 219.284 1.729 50 0 BDAARO CCOC(=O)[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000020580504 356368814 /nfs/dbraw/zinc/36/88/14/356368814.db2.gz RFHABIFQGCFCTP-SNVBAGLBSA-N 1 0 225.263 1.506 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000097113846 181267725 /nfs/dbraw/zinc/26/77/25/181267725.db2.gz WSHSBIGTBPXKGQ-CHWSQXEVSA-N 1 0 232.327 1.820 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000278275 181269049 /nfs/dbraw/zinc/26/90/49/181269049.db2.gz XFPABKXIZOYZBL-CYBMUJFWSA-N 1 0 232.327 1.426 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]Cc1ccccn1 ZINC000035272198 356466309 /nfs/dbraw/zinc/46/63/09/356466309.db2.gz FWWRQWMQGDNGSN-LLVKDONJSA-N 1 0 216.288 1.456 50 0 BDAARO COc1cc(N(C2CC2)C2CC[NH2+]CC2)ncn1 ZINC000618254165 356468633 /nfs/dbraw/zinc/46/86/33/356468633.db2.gz KWMNUWQXAOTEFL-UHFFFAOYSA-N 1 0 248.330 1.206 50 0 BDAARO COc1cc(C2=CC[NH2+]CC2)ccc1O ZINC000013511260 363491709 /nfs/dbraw/zinc/49/17/09/363491709.db2.gz WWAKCFYJVOQDNY-UHFFFAOYSA-N 1 0 205.257 1.778 50 0 BDAARO Cc1noc([C@H](C)N2CC[N@H+](C)C[C@H]2C)n1 ZINC000252511436 363489619 /nfs/dbraw/zinc/48/96/19/363489619.db2.gz GTAGSBKVJLOMTD-BDAKNGLRSA-N 1 0 224.308 1.075 50 0 BDAARO COCC[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000078947979 356802600 /nfs/dbraw/zinc/80/26/00/356802600.db2.gz LSAVTPCOLLMQLE-UWVGGRQHSA-N 1 0 203.351 1.849 50 0 BDAARO CC[C@@H](c1ccncc1)[N@H+](C)C[C@@H]1CNC(=O)O1 ZINC000252522912 363585527 /nfs/dbraw/zinc/58/55/27/363585527.db2.gz BJQFSVUXIWCEEF-RYUDHWBXSA-N 1 0 249.314 1.573 50 0 BDAARO Cc1ccsc1CN(C)[C@@H](C)C(N)=O ZINC000015311883 358432975 /nfs/dbraw/zinc/43/29/75/358432975.db2.gz AUBJCHHZXNRIHK-QMMMGPOBSA-N 1 0 212.318 1.362 50 0 BDAARO C[C@@H](NC(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000071857186 359082135 /nfs/dbraw/zinc/08/21/35/359082135.db2.gz UESMMMJEPNKSFB-ZYHUDNBSSA-N 1 0 239.363 1.521 50 0 BDAARO C[C@@H](NC(=O)c1ccccn1)[C@H]1CCCC[NH2+]1 ZINC000521398759 359702020 /nfs/dbraw/zinc/70/20/20/359702020.db2.gz KIIYYEIZGLYRJE-GHMZBOCLSA-N 1 0 233.315 1.342 50 0 BDAARO [NH3+]Cc1ccc(OCC(F)F)c(F)c1 ZINC000130413826 360350144 /nfs/dbraw/zinc/35/01/44/360350144.db2.gz DUYYOCDAMPJMLS-UHFFFAOYSA-N 1 0 205.179 1.928 50 0 BDAARO [NH3+]C1(CNC(=O)NC2CCCC2)CCCCC1 ZINC000094891839 181330608 /nfs/dbraw/zinc/33/06/08/181330608.db2.gz CYVMJHFEBITPGP-UHFFFAOYSA-N 1 0 239.363 1.890 50 0 BDAARO [NH3+]C1(CNC(=O)NC2CCCCC2)CCC1 ZINC000236162901 181330854 /nfs/dbraw/zinc/33/08/54/181330854.db2.gz OORFSSFPRHTANT-UHFFFAOYSA-N 1 0 225.336 1.500 50 0 BDAARO CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000170053066 361386318 /nfs/dbraw/zinc/38/63/18/361386318.db2.gz RSZFGIRZCKWPBF-WDEREUQCSA-N 1 0 210.321 1.148 50 0 BDAARO COCCCC[NH2+][C@@H]1CCc2nc(C)cn2C1 ZINC000170089059 361390996 /nfs/dbraw/zinc/39/09/96/361390996.db2.gz WBIOMKXTSKOHPQ-GFCCVEGCSA-N 1 0 237.347 1.523 50 0 BDAARO [NH3+]CC(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000170046686 361383841 /nfs/dbraw/zinc/38/38/41/361383841.db2.gz QIASGZNIAIKFSX-OLZOCXBDSA-N 1 0 248.326 1.452 50 0 BDAARO [NH3+]C1(c2nc(C(F)(F)F)cc(=O)[nH]2)CCCC1 ZINC000071398223 181335314 /nfs/dbraw/zinc/33/53/14/181335314.db2.gz BQWZKXPDCVVQDG-UHFFFAOYSA-N 1 0 247.220 1.929 50 0 BDAARO CCC[C@](C)([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000036865024 361571575 /nfs/dbraw/zinc/57/15/75/361571575.db2.gz FGBMNGOWFVLSLK-SKDRFNHKSA-N 1 0 239.319 1.765 50 0 BDAARO C[C@H](C(N)=O)N(C)Cc1ccccc1F ZINC000007358609 361592211 /nfs/dbraw/zinc/59/22/11/361592211.db2.gz ULPQJXHCBFMXMK-MRVPVSSYSA-N 1 0 210.252 1.131 50 0 BDAARO [NH3+]C1CCC(C(=O)NCc2ccccc2)CC1 ZINC000037622792 181340323 /nfs/dbraw/zinc/34/03/23/181340323.db2.gz RDCPELVGPMKZFN-UHFFFAOYSA-N 1 0 232.327 1.820 50 0 BDAARO [NH3+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000019255429 181343556 /nfs/dbraw/zinc/34/35/56/181343556.db2.gz REOFQLMBFWIVGR-UHFFFAOYSA-N 1 0 232.327 1.569 50 0 BDAARO [NH3+]C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000036754467 181344536 /nfs/dbraw/zinc/34/45/36/181344536.db2.gz JSBNZEGYOKPCOA-UHFFFAOYSA-N 1 0 230.315 1.486 50 0 BDAARO [NH3+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000011957253 181347876 /nfs/dbraw/zinc/34/78/76/181347876.db2.gz KUKWWLMXEXGEDA-UHFFFAOYSA-N 1 0 232.327 1.426 50 0 BDAARO [NH3+]CC(=O)NCc1ccc(Br)cc1 ZINC000042238452 181354151 /nfs/dbraw/zinc/35/41/51/181354151.db2.gz AVLAOJKDINCIHT-UHFFFAOYSA-N 1 0 243.104 1.024 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000011956879 181355645 /nfs/dbraw/zinc/35/56/45/181355645.db2.gz TWDOHOJFBGURCQ-UHFFFAOYSA-N 1 0 202.616 1.376 50 0 BDAARO [NH3+]CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000011755173 181368944 /nfs/dbraw/zinc/36/89/44/181368944.db2.gz DJAUDAYRVUUHLB-UHFFFAOYSA-N 1 0 216.643 1.766 50 0 BDAARO [NH3+]CCCCCC(=O)NCc1ccc(F)cc1 ZINC000019516924 181374461 /nfs/dbraw/zinc/37/44/61/181374461.db2.gz TUSBTQSNZDLPOM-UHFFFAOYSA-N 1 0 238.306 1.961 50 0 BDAARO [NH3+]CCCNC(=O)/C=C\c1ccccc1 ZINC000211265037 181381468 /nfs/dbraw/zinc/38/14/68/181381468.db2.gz NXAZBSXCMLLURK-FPLPWBNLSA-N 1 0 204.273 1.165 50 0 BDAARO [NH3+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000011896963 181384599 /nfs/dbraw/zinc/38/45/99/181384599.db2.gz LFXXEVBQYCEFHK-UHFFFAOYSA-N 1 0 233.720 1.463 50 0 BDAARO [NH3+]CCN1CCC(c2cccs2)CC1 ZINC000057496361 181392186 /nfs/dbraw/zinc/39/21/86/181392186.db2.gz HDDIXTKCKCWUGM-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO [NH3+]CCN1C(=O)S[C@H](c2ccccc2)C1=O ZINC000039320082 181391657 /nfs/dbraw/zinc/39/16/57/181391657.db2.gz SJOQKMLNLDPVMN-SECBINFHSA-N 1 0 236.296 1.382 50 0 BDAARO [NH3+]CCNC(=O)[C@H]1CCCc2ccccc21 ZINC000035650773 181395390 /nfs/dbraw/zinc/39/53/90/181395390.db2.gz ASNYEBSCXSIDAC-LBPRGKRZSA-N 1 0 218.300 1.181 50 0 BDAARO Cc1ccc2c(c1)nc(NCCO)n2C ZINC000002443157 370865297 /nfs/dbraw/zinc/86/52/97/370865297.db2.gz 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BDAARO O=C(NCC[C@@H]1CCC[NH2+]1)c1cccn1C1CC1 ZINC000097594853 182199178 /nfs/dbraw/zinc/19/91/78/182199178.db2.gz KTLFQRDWNXFFTK-NSHDSACASA-N 1 0 247.342 1.695 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 ZINC000041028250 374079782 /nfs/dbraw/zinc/07/97/82/374079782.db2.gz VKWAJRLPBAWEDZ-SECBINFHSA-N 1 0 240.253 1.528 50 0 BDAARO Cc1cccc(NC(=S)NCC[NH+](C)C)n1 ZINC000009379041 374109366 /nfs/dbraw/zinc/10/93/66/374109366.db2.gz BNSBYPNXJAFUAF-UHFFFAOYSA-N 1 0 238.360 1.238 50 0 BDAARO O=C(NCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000019409770 182257390 /nfs/dbraw/zinc/25/73/90/182257390.db2.gz JEXYLWKDNWOPPB-LBPRGKRZSA-N 1 0 218.300 1.302 50 0 BDAARO O=C(N[C@H]1C[C@@]12CC[NH2+]C2)OCc1ccccc1 ZINC000095743048 182344468 /nfs/dbraw/zinc/34/44/68/182344468.db2.gz OBLBAUYGDPXCDX-GXTWGEPZSA-N 1 0 246.310 1.665 50 0 BDAARO O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[NH2+]C1 ZINC000034939010 182354622 /nfs/dbraw/zinc/35/46/22/182354622.db2.gz UVDVBUWYEJTZRA-MRVPVSSYSA-N 1 0 239.706 1.673 50 0 BDAARO O=C(N[C@H]1C[C@]12CC[NH2+]C2)OCc1ccccc1 ZINC000095743050 182345330 /nfs/dbraw/zinc/34/53/30/182345330.db2.gz OBLBAUYGDPXCDX-JSGCOSHPSA-N 1 0 246.310 1.665 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@@H]2C[NH2+]C[C@H]21 ZINC000095630809 182605094 /nfs/dbraw/zinc/60/50/94/182605094.db2.gz NNPUGWBVOYEPHV-NWDGAFQWSA-N 1 0 232.283 1.227 50 0 BDAARO O=C(c1ccoc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000019745681 182691357 /nfs/dbraw/zinc/69/13/57/182691357.db2.gz JPFFHALEUFGNCT-GFCCVEGCSA-N 1 0 234.299 1.590 50 0 BDAARO O=C1c2ccccc2C(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000019513198 182844948 /nfs/dbraw/zinc/84/49/48/182844948.db2.gz POAZMSVKCTYEPJ-SECBINFHSA-N 1 0 230.267 1.035 50 0 BDAARO OC1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000300817514 183028982 /nfs/dbraw/zinc/02/89/82/183028982.db2.gz FYVHQKYYAMHYED-SECBINFHSA-N 1 0 219.275 1.879 50 0 BDAARO OCCC1([NH2+]Cc2ccsc2)CCOCC1 ZINC000089885459 183042442 /nfs/dbraw/zinc/04/24/42/183042442.db2.gz TWVNESJSSRHPEV-UHFFFAOYSA-N 1 0 241.356 1.769 50 0 BDAARO OCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000095437986 183071155 /nfs/dbraw/zinc/07/11/55/183071155.db2.gz AZNYMFMSSAKSEK-CQSZACIVSA-N 1 0 235.327 1.252 50 0 BDAARO OCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000071350407 183071972 /nfs/dbraw/zinc/07/19/72/183071972.db2.gz KAPCNWIRARZFJU-UHFFFAOYSA-N 1 0 240.391 1.567 50 0 BDAARO OCC[NH2+]CCNCc1cccc2ccccc21 ZINC000023469471 183078170 /nfs/dbraw/zinc/07/81/70/183078170.db2.gz QMTFLSJRQQJKGK-UHFFFAOYSA-N 1 0 244.338 1.511 50 0 BDAARO OCC[NH2+]CCCOc1ccc(F)cc1 ZINC000016667432 183078204 /nfs/dbraw/zinc/07/82/04/183078204.db2.gz RHNDLYHZOMQPQI-UHFFFAOYSA-N 1 0 213.252 1.177 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000000210014 183117280 /nfs/dbraw/zinc/11/72/80/183117280.db2.gz GEXYNZFTVPXBBB-CYBMUJFWSA-N 1 0 205.301 1.891 50 0 BDAARO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc[nH]n1 ZINC000063218640 183106449 /nfs/dbraw/zinc/10/64/49/183106449.db2.gz PFHQMZFSKHRCFL-CYBMUJFWSA-N 1 0 231.299 1.103 50 0 BDAARO OC[C@H]1CCCCC[C@H]1[NH2+]Cc1ccon1 ZINC000097101696 183146978 /nfs/dbraw/zinc/14/69/78/183146978.db2.gz YYTXOHFZKQRKHI-ZYHUDNBSSA-N 1 0 224.304 1.705 50 0 BDAARO OC[C@H]1CNCC[N@H+](CC2CCCCC2)C1 ZINC000044076391 183155634 /nfs/dbraw/zinc/15/56/34/183155634.db2.gz ZGTHRRQPCKNVHH-ZDUSSCGKSA-N 1 0 226.364 1.080 50 0 BDAARO O[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccncc1 ZINC000134815804 183180148 /nfs/dbraw/zinc/18/01/48/183180148.db2.gz BWPGBXWKTWWLHR-NEPJUHHUSA-N 1 0 238.356 1.600 50 0 BDAARO O[C@H](C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000074941923 183227042 /nfs/dbraw/zinc/22/70/42/183227042.db2.gz VVTOKYYKQAEMMG-RKDXNWHRSA-N 1 0 213.302 1.160 50 0 BDAARO O[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000217856 183234582 /nfs/dbraw/zinc/23/45/82/183234582.db2.gz JBVQWOPQNKMKGR-ZDUSSCGKSA-N 1 0 205.301 1.686 50 0 BDAARO O[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000000200509 183235360 /nfs/dbraw/zinc/23/53/60/183235360.db2.gz AYJFLNCWHDQEIU-NSHDSACASA-N 1 0 235.283 1.372 50 0 BDAARO Oc1cc(-c2cccnc2)cc2c1OCC[NH2+]C2 ZINC000091829226 183256642 /nfs/dbraw/zinc/25/66/42/183256642.db2.gz YAWVNCSUNHNWKO-UHFFFAOYSA-N 1 0 242.278 1.936 50 0 BDAARO O=c1cc([C@H]2CC[NH2+]C2)nc(-c2ccncc2)[nH]1 ZINC000072343641 183261248 /nfs/dbraw/zinc/26/12/48/183261248.db2.gz JPAJCSLQFRUMNK-JTQLQIEISA-N 1 0 242.282 1.321 50 0 BDAARO CCC[N@H+](CCO)CC(=O)N1CCCC[C@@H]1C ZINC000049825522 169165905 /nfs/dbraw/zinc/16/59/05/169165905.db2.gz CYXYOBJERMKJBT-LBPRGKRZSA-N 1 0 242.363 1.092 50 0 BDAARO CCC[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000047794778 169199173 /nfs/dbraw/zinc/19/91/73/169199173.db2.gz FZILSRIEAMSMCU-JTQLQIEISA-N 1 0 214.309 1.607 50 0 BDAARO CCC[N@@H+]1CCN(CC=C(C)C)[C@H](CCO)C1 ZINC000022909937 169202939 /nfs/dbraw/zinc/20/29/39/169202939.db2.gz NJZUEKCWMPOTRE-CQSZACIVSA-N 1 0 240.391 1.731 50 0 BDAARO CCC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000061782067 169203635 /nfs/dbraw/zinc/20/36/35/169203635.db2.gz YGOXHQPKHBFOGL-UHFFFAOYSA-N 1 0 223.320 1.511 50 0 BDAARO c1cc(C[NH2+]CC[C@@H]2CCCO2)ccn1 ZINC000037988758 183350947 /nfs/dbraw/zinc/35/09/47/183350947.db2.gz WICCDJHSWSRGIX-LBPRGKRZSA-N 1 0 206.289 1.740 50 0 BDAARO CCCNC(=O)C[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000076147669 169219141 /nfs/dbraw/zinc/21/91/41/169219141.db2.gz DAYPNXYGRUUPEJ-QWRGUYRKSA-N 1 0 244.404 1.729 50 0 BDAARO CCC[NH2+]CCNC(=O)c1ccnc(Cl)c1 ZINC000225482398 169258962 /nfs/dbraw/zinc/25/89/62/169258962.db2.gz QIXZRURHLHPXSN-UHFFFAOYSA-N 1 0 241.722 1.464 50 0 BDAARO c1cc2c(cc1C[NH2+][C@H]1CCOC1)OCCCO2 ZINC000088699227 183368027 /nfs/dbraw/zinc/36/80/27/183368027.db2.gz CUPIXJGQSRALDR-LBPRGKRZSA-N 1 0 249.310 1.726 50 0 BDAARO CCCNC(=O)[C@@H](C)[NH2+]CCC(C)C ZINC000034937353 169242670 /nfs/dbraw/zinc/24/26/70/169242670.db2.gz BHYWYIOITLUAHY-SNVBAGLBSA-N 1 0 200.326 1.537 50 0 BDAARO c1cc([C@@H]2CCC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000012242409 183360427 /nfs/dbraw/zinc/36/04/27/183360427.db2.gz JOJKVIHGYPULEW-LLVKDONJSA-N 1 0 205.305 1.999 50 0 BDAARO c1ccc(CCCNC2=[NH+]CCN2)cc1 ZINC000058366360 183390985 /nfs/dbraw/zinc/39/09/85/183390985.db2.gz HJVMSXRNXLNVPZ-UHFFFAOYSA-N 1 0 203.289 1.168 50 0 BDAARO c1ccc(CCSC2=[NH+]CCN2)cc1 ZINC000001994464 183394592 /nfs/dbraw/zinc/39/45/92/183394592.db2.gz PLFNLOALADUWDQ-UHFFFAOYSA-N 1 0 206.314 1.922 50 0 BDAARO CCCS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000076058629 169332969 /nfs/dbraw/zinc/33/29/69/169332969.db2.gz GDRFILGWWAACCH-WDEREUQCSA-N 1 0 248.392 1.045 50 0 BDAARO CCCSCCN[C@H]1CCC[NH2+]C1 ZINC000067725785 169339008 /nfs/dbraw/zinc/33/90/08/169339008.db2.gz GLKZIKPDZSREDR-JTQLQIEISA-N 1 0 202.367 1.471 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]([NH3+])C[C@@H]21 ZINC000076675024 166652158 /nfs/dbraw/zinc/65/21/58/166652158.db2.gz SIDLVNZIPCOTFU-BBBLOLIVSA-N 1 0 226.320 1.733 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@@H]2[NH3+])C1 ZINC000091304820 166653851 /nfs/dbraw/zinc/65/38/51/166653851.db2.gz ARDLFRHCGVVGHP-CABZTGNLSA-N 1 0 226.320 1.735 50 0 BDAARO C[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCCO1 ZINC000225432666 134353699 /nfs/dbraw/zinc/35/36/99/134353699.db2.gz RJGXMZJLYVNRMT-JGVFFNPUSA-N 1 0 227.226 1.020 50 0 BDAARO CCCn1cc(CN2CCC[NH2+]CC2)cn1 ZINC000071382304 169618151 /nfs/dbraw/zinc/61/81/51/169618151.db2.gz HHMVPZMWMBMOQZ-UHFFFAOYSA-N 1 0 222.336 1.088 50 0 BDAARO [NH3+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000034973279 383820590 /nfs/dbraw/zinc/82/05/90/383820590.db2.gz WBNXYSMSAOEZIF-MRVPVSSYSA-N 1 0 235.205 1.404 50 0 BDAARO CC(C)(O)[C@@]1(C)[NH2+]CCc2ccccc21 ZINC000000090894 383823607 /nfs/dbraw/zinc/82/36/07/383823607.db2.gz KPHPOFHKJQMBSR-ZDUSSCGKSA-N 1 0 205.301 1.818 50 0 BDAARO CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000247446745 383824670 /nfs/dbraw/zinc/82/46/70/383824670.db2.gz YHZRBPQGMYFBOG-OUCADQQQSA-N 1 0 238.375 1.881 50 0 BDAARO Nc1nnc(CC[NH+]2CCCCC2)s1 ZINC000000098442 383826628 /nfs/dbraw/zinc/82/66/28/383826628.db2.gz YCWGPZYVRAKIIE-UHFFFAOYSA-N 1 0 212.322 1.149 50 0 BDAARO Nc1cncc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000071404211 383836877 /nfs/dbraw/zinc/83/68/77/383836877.db2.gz HCKPMMHGUOGMQG-UHFFFAOYSA-N 1 0 225.295 1.977 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1cccc(OC)c1OC ZINC000000263780 383847498 /nfs/dbraw/zinc/84/74/98/383847498.db2.gz MSEUQISSMRSQFO-SNVBAGLBSA-N 1 0 239.315 1.828 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000255659192 383856686 /nfs/dbraw/zinc/85/66/86/383856686.db2.gz ZBQPSVLDCOHHOX-FWWRYZNZSA-N 1 0 244.338 1.815 50 0 BDAARO C[NH+](C)C[C@H]1CCC[C@H](C[NH+](C)C)C1=O ZINC000000393561 383861541 /nfs/dbraw/zinc/86/15/41/383861541.db2.gz WFFCWXMFKGCIGF-GHMZBOCLSA-N 1 0 212.337 1.095 50 0 in-vitro BDAARO CC[C@@H]([NH3+])[C@H](O)c1c(F)cccc1F ZINC000036779168 383911367 /nfs/dbraw/zinc/91/13/67/383911367.db2.gz IKAZPXWEBASSEL-SCZZXKLOSA-N 1 0 201.216 1.736 50 0 BDAARO CC(C)(C)c1noc(-c2ccc(NN)[nH+]c2)n1 ZINC000067172721 383912905 /nfs/dbraw/zinc/91/29/05/383912905.db2.gz OCJFEFFSAXLOMU-UHFFFAOYSA-N 1 0 233.275 1.715 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000036871496 383913751 /nfs/dbraw/zinc/91/37/51/383913751.db2.gz BAKZKCUKMHYSSP-NSHDSACASA-N 1 0 224.279 1.521 50 0 BDAARO CCOc1cccn2cc(CC[NH3+])nc12 ZINC000036223098 383886619 /nfs/dbraw/zinc/88/66/19/383886619.db2.gz SDMPKNVUYTUIIY-UHFFFAOYSA-N 1 0 205.261 1.234 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000037507215 383983262 /nfs/dbraw/zinc/98/32/62/383983262.db2.gz XGMLBICNMQKJQY-LLVKDONJSA-N 1 0 224.279 1.521 50 0 BDAARO CCc1cccc(OCCCC[NH2+]CCO)c1 ZINC000003003855 383995438 /nfs/dbraw/zinc/99/54/38/383995438.db2.gz CFIVVNHJDOODQV-UHFFFAOYSA-N 1 0 237.343 1.990 50 0 BDAARO C[C@@H](C(=O)N(C)CCC(C)(C)O)[NH+]1CCCC1 ZINC000067818017 383950420 /nfs/dbraw/zinc/95/04/20/383950420.db2.gz KEQZUTLFXUZMLM-NSHDSACASA-N 1 0 242.363 1.090 50 0 BDAARO COc1ccc(C[NH2+]CCCO)cc1OC ZINC000002453837 383964414 /nfs/dbraw/zinc/96/44/14/383964414.db2.gz HIKXKHNWFNPXLJ-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH3+] ZINC000002454830 383965033 /nfs/dbraw/zinc/96/50/33/383965033.db2.gz DNRVVNWLPSBPDV-GHMZBOCLSA-N 1 0 223.316 1.899 50 0 BDAARO CCOCC[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000037269357 383967827 /nfs/dbraw/zinc/96/78/27/383967827.db2.gz UHFDJSLTBWSVSY-UHFFFAOYSA-N 1 0 227.260 1.192 50 0 BDAARO CN(Cc1ccccc1)C(=O)C1CC[NH2+]CC1 ZINC000002513491 383968942 /nfs/dbraw/zinc/96/89/42/383968942.db2.gz KCGJGWKYMLRMOM-UHFFFAOYSA-N 1 0 232.327 1.645 50 0 BDAARO CC[NH+](CC)CCSc1nccn(C)c1=O ZINC000089968995 384015951 /nfs/dbraw/zinc/01/59/51/384015951.db2.gz UKEHMTIYXAXHRJ-UHFFFAOYSA-N 1 0 241.360 1.214 50 0 BDAARO CO[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000050438122 384042250 /nfs/dbraw/zinc/04/22/50/384042250.db2.gz AXYSJDJPWBQTDT-AAEUAGOBSA-N 1 0 248.326 1.181 50 0 BDAARO [NH3+]C[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000069978320 384070414 /nfs/dbraw/zinc/07/04/14/384070414.db2.gz UHZZZORGKUJRQY-JTQLQIEISA-N 1 0 218.256 1.073 50 0 BDAARO Cc1ccc(C2=NO[C@@H](C[NH3+])C2)cc1C ZINC000069978182 384071293 /nfs/dbraw/zinc/07/12/93/384071293.db2.gz IYCBCVFSFKGGHW-LLVKDONJSA-N 1 0 204.273 1.755 50 0 BDAARO Cc1nc(C)c(CNCc2ncc[nH]2)s1 ZINC000078052193 384072653 /nfs/dbraw/zinc/07/26/53/384072653.db2.gz RUDJRWQVLSZXFG-UHFFFAOYSA-N 1 0 222.317 1.773 50 0 BDAARO CC(C)[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000039091357 384101490 /nfs/dbraw/zinc/10/14/90/384101490.db2.gz GKTZYOHYPBQYAX-QMMMGPOBSA-N 1 0 202.298 1.494 50 0 BDAARO CCCc1noc(-c2ccc[nH+]c2NN)n1 ZINC000070451571 384109433 /nfs/dbraw/zinc/10/94/33/384109433.db2.gz DDDKHYALTNXENE-UHFFFAOYSA-N 1 0 219.248 1.370 50 0 BDAARO c1cn(CCC[NH2+]Cc2cccnc2)cn1 ZINC000039170030 384109515 /nfs/dbraw/zinc/10/95/15/384109515.db2.gz SVVCMJGGHPTQIV-UHFFFAOYSA-N 1 0 216.288 1.458 50 0 BDAARO Cc1n[nH]cc1C[NH2+]Cc1cccnc1 ZINC000035273975 384119477 /nfs/dbraw/zinc/11/94/77/384119477.db2.gz VUKJKTCOOPMRIP-UHFFFAOYSA-N 1 0 202.261 1.403 50 0 BDAARO CC(C)(C)OC(=O)NC(C)(C)CC[NH3+] ZINC000039952154 384123807 /nfs/dbraw/zinc/12/38/07/384123807.db2.gz HQZCKDWAFDGVHG-UHFFFAOYSA-N 1 0 202.298 1.639 50 0 BDAARO CC[C@@H]([NH3+])CCNC(=O)OC(C)(C)C ZINC000039952156 384124322 /nfs/dbraw/zinc/12/43/22/384124322.db2.gz NMZBDDOBSIZYCI-MRVPVSSYSA-N 1 0 202.298 1.639 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])OC(C)(C)C1 ZINC000091692679 384137701 /nfs/dbraw/zinc/13/77/01/384137701.db2.gz PIUUZWSTMDXOAS-SECBINFHSA-N 1 0 244.335 1.360 50 0 BDAARO FC1(F)CC[NH2+]C[C@@H]1COCC1CC1 ZINC000257194897 384138309 /nfs/dbraw/zinc/13/83/09/384138309.db2.gz UXBNYODPOXNBKN-SECBINFHSA-N 1 0 205.248 1.658 50 0 BDAARO Cc1noc(C)c1CN1CCC[C@@H]([NH3+])C1 ZINC000041027897 384172695 /nfs/dbraw/zinc/17/26/95/384172695.db2.gz DEKCVDNVJZWDDK-SNVBAGLBSA-N 1 0 209.293 1.215 50 0 BDAARO CCC[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1[NH+](C)C ZINC000092066131 384161486 /nfs/dbraw/zinc/16/14/86/384161486.db2.gz XSANLIXFXYZWHP-AAEUAGOBSA-N 1 0 236.363 1.572 50 0 BDAARO CC[C@](C)([NH2+]C[C@@H](C)CC(C)C)C(N)=O ZINC000253393562 384176154 /nfs/dbraw/zinc/17/61/54/384176154.db2.gz KIXNSBCWNURZJD-JQWIXIFHSA-N 1 0 214.353 1.912 50 0 BDAARO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1F ZINC000090849592 384163247 /nfs/dbraw/zinc/16/32/47/384163247.db2.gz LLKLBGRSHBVWNT-MFKMUULPSA-N 1 0 239.290 1.628 50 0 BDAARO Nc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC000071498693 384169781 /nfs/dbraw/zinc/16/97/81/384169781.db2.gz NWALQBLCXGQXFL-UHFFFAOYSA-N 1 0 225.295 1.977 50 0 BDAARO [NH3+]Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000072312208 384205752 /nfs/dbraw/zinc/20/57/52/384205752.db2.gz GNNNUYNKBXYROZ-UHFFFAOYSA-N 1 0 247.323 1.532 50 0 BDAARO C[NH+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC000002773390 384187032 /nfs/dbraw/zinc/18/70/32/384187032.db2.gz CRFRLGAHNGYWIG-ZIAGYGMSSA-N 1 0 246.354 1.858 50 0 BDAARO c1ccc2oc(NC[C@H]3C[NH2+]CCOC3)nc2c1 ZINC000072159015 384197683 /nfs/dbraw/zinc/19/76/83/384197683.db2.gz BASYIAFDGBIRDV-SNVBAGLBSA-N 1 0 247.298 1.476 50 0 BDAARO Cn1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000072357312 384213053 /nfs/dbraw/zinc/21/30/53/384213053.db2.gz CBEFWWDGDAQOID-UHFFFAOYSA-N 1 0 245.330 1.523 50 0 BDAARO FC(F)(F)c1ccc(OC2C[NH2+]C2)nc1 ZINC000042770148 384240798 /nfs/dbraw/zinc/24/07/98/384240798.db2.gz HGDRRWPVYQGTBO-UHFFFAOYSA-N 1 0 218.178 1.451 50 0 BDAARO CC[C@H]1C[N@H+](CC)CCN1c1nc(C)ns1 ZINC000408519717 384276665 /nfs/dbraw/zinc/27/66/65/384276665.db2.gz TVJFPJFAUDMKPI-JTQLQIEISA-N 1 0 240.376 1.767 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 ZINC000158486573 384241886 /nfs/dbraw/zinc/24/18/86/384241886.db2.gz QWWXPUBESODQIK-GFCCVEGCSA-N 1 0 243.310 1.503 50 0 BDAARO C1C[NH2+][C@@H](c2nnc3n2CCCCC3)C1 ZINC000012505129 384322539 /nfs/dbraw/zinc/32/25/39/384322539.db2.gz DYMCNSVJJVMPOO-SECBINFHSA-N 1 0 206.293 1.429 50 0 BDAARO [NH3+]Cc1cccnc1OCC(F)(F)F ZINC000012481277 384323032 /nfs/dbraw/zinc/32/30/32/384323032.db2.gz KUCFNEZLLQASNW-UHFFFAOYSA-N 1 0 206.167 1.481 50 0 BDAARO c1cnc(SC[C@@H]2CCCC[NH2+]2)nc1 ZINC000043495311 384279021 /nfs/dbraw/zinc/27/90/21/384279021.db2.gz OMHSTFYXXRHORM-VIFPVBQESA-N 1 0 209.318 1.711 50 0 BDAARO c1cnc(SCC2CC[NH2+]CC2)nc1 ZINC000043498167 384279025 /nfs/dbraw/zinc/27/90/25/384279025.db2.gz GJVKFUNCKBNQIE-UHFFFAOYSA-N 1 0 209.318 1.568 50 0 BDAARO C[NH+](C)CCn1cnc2ccsc2c1=O ZINC000032565222 384279180 /nfs/dbraw/zinc/27/91/80/384279180.db2.gz WILIGQLERJLDAZ-UHFFFAOYSA-N 1 0 223.301 1.020 50 0 BDAARO CC[C@H]([NH3+])C(=O)N1CCC2(CCCC2)C1 ZINC000097019146 384282999 /nfs/dbraw/zinc/28/29/99/384282999.db2.gz RTECKZAKEQREOH-JTQLQIEISA-N 1 0 210.321 1.516 50 0 BDAARO CO[C@@H](C)COC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525701 384288989 /nfs/dbraw/zinc/28/89/89/384288989.db2.gz VPYLZMNNXMEMRA-QWRGUYRKSA-N 1 0 231.336 1.576 50 0 BDAARO [NH3+]C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000011920033 384302003 /nfs/dbraw/zinc/30/20/03/384302003.db2.gz WNLPULPTZQFRBG-SECBINFHSA-N 1 0 226.663 1.624 50 0 BDAARO C[C@@H](O)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000095419035 384374320 /nfs/dbraw/zinc/37/43/20/384374320.db2.gz PJMILUCFVQNPJP-MFKMUULPSA-N 1 0 237.368 1.987 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCO[C@H]1C ZINC000328619538 384331558 /nfs/dbraw/zinc/33/15/58/384331558.db2.gz FZZIJTJTVQLPQX-QNWHQSFQSA-N 1 0 227.348 1.815 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000095742917 384392032 /nfs/dbraw/zinc/39/20/32/384392032.db2.gz LMCOQMMIAHCCFN-SFYZADRCSA-N 1 0 214.309 1.637 50 0 BDAARO CC(C)(C)OC(=O)NC1(C[NH3+])CC(F)C1 ZINC000095743312 384392101 /nfs/dbraw/zinc/39/21/01/384392101.db2.gz DYSWSFKAIZTAJQ-UHFFFAOYSA-N 1 0 218.272 1.341 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH3+])C1 ZINC000095742861 384392230 /nfs/dbraw/zinc/39/22/30/384392230.db2.gz PIFXVPWOUHXSLO-RKDXNWHRSA-N 1 0 214.309 1.639 50 0 BDAARO CC(=O)N1CC[C@@H]([NH3+])c2ccc(F)cc2C1 ZINC000095829690 384399975 /nfs/dbraw/zinc/39/99/75/384399975.db2.gz FQGMSZLBARVVOU-GFCCVEGCSA-N 1 0 222.263 1.578 50 0 BDAARO O=S(=O)(C1CCCCC1)C1CC[NH2+]CC1 ZINC000095908526 384404274 /nfs/dbraw/zinc/40/42/74/384404274.db2.gz ZGKQYPOVVAFHEB-UHFFFAOYSA-N 1 0 231.361 1.486 50 0 BDAARO COC(=O)[C@@H]1C[N@H+](C)CC=C1c1ccccc1 ZINC000095918261 384408181 /nfs/dbraw/zinc/40/81/81/384408181.db2.gz MSFKXRUBTLYUEN-CYBMUJFWSA-N 1 0 231.295 1.805 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000095938339 384416748 /nfs/dbraw/zinc/41/67/48/384416748.db2.gz HODGRZURVLFVKM-IVZWLZJFSA-N 1 0 226.320 1.509 50 0 BDAARO Cc1c2ccccc2oc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000237766734 384377873 /nfs/dbraw/zinc/37/78/73/384377873.db2.gz GMJVSIKOAARPTF-JTQLQIEISA-N 1 0 244.294 1.914 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[N@@H+]2CC[C@H]1C2 ZINC000095707696 384390142 /nfs/dbraw/zinc/39/01/42/384390142.db2.gz NIZTZRCJEKIRON-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO Cc1nc(C(C)(C)[NH2+]CCCO)sc1C ZINC000072865605 384468608 /nfs/dbraw/zinc/46/86/08/384468608.db2.gz JTLFRAORTJOMOL-UHFFFAOYSA-N 1 0 228.361 1.967 50 0 BDAARO Cc1n[nH]c(C)c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097213293 384501826 /nfs/dbraw/zinc/50/18/26/384501826.db2.gz NUZNDWRCFCBZPB-UHFFFAOYSA-N 1 0 217.276 1.062 50 0 BDAARO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000048345388 384487025 /nfs/dbraw/zinc/48/70/25/384487025.db2.gz BYIXPEZTQCVCGI-UHFFFAOYSA-N 1 0 234.343 1.823 50 0 BDAARO [NH3+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000019722457 384535839 /nfs/dbraw/zinc/53/58/39/384535839.db2.gz CQUUZMGVVVHKGB-UHFFFAOYSA-N 1 0 230.267 1.668 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019410554 384522176 /nfs/dbraw/zinc/52/21/76/384522176.db2.gz LLIJVFXHWWTBCP-CYBMUJFWSA-N 1 0 232.327 1.645 50 0 BDAARO Cn1nc([C@H]2CCC[NH2+]C2)c2cccnc21 ZINC000019686108 384530579 /nfs/dbraw/zinc/53/05/79/384530579.db2.gz ZLLYALSPOVQFQZ-VIFPVBQESA-N 1 0 216.288 1.435 50 0 BDAARO [NH3+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000019843368 384544694 /nfs/dbraw/zinc/54/46/94/384544694.db2.gz DKWRQRNCULDABS-CYBMUJFWSA-N 1 0 204.317 2.000 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000049648621 384552841 /nfs/dbraw/zinc/55/28/41/384552841.db2.gz JOWFUPCKNXLCPC-SECBINFHSA-N 1 0 228.654 1.543 50 0 BDAARO CSc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019737252 384538560 /nfs/dbraw/zinc/53/85/60/384538560.db2.gz QLOKJRIVRGCVIM-UHFFFAOYSA-N 1 0 222.357 1.814 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]1C[NH2+]C2 ZINC000020286462 384611044 /nfs/dbraw/zinc/61/10/44/384611044.db2.gz SEBKQWOUTPGSCS-MNOVXSKESA-N 1 0 240.347 1.995 50 0 BDAARO OCC[NH2+]Cc1ccc(Br)s1 ZINC000020305942 384614399 /nfs/dbraw/zinc/61/43/99/384614399.db2.gz CNISODFPQPLXRM-UHFFFAOYSA-N 1 0 236.134 1.593 50 0 BDAARO CC(C)(C[NH3+])C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000051087052 384623556 /nfs/dbraw/zinc/62/35/56/384623556.db2.gz ZRUSXKUOWNOTQE-NSHDSACASA-N 1 0 248.326 1.091 50 0 BDAARO C[NH2+][C@@H](Cc1ccccc1)CN1CCCC1 ZINC000022028725 384724706 /nfs/dbraw/zinc/72/47/06/384724706.db2.gz WDVNZOBYHPYZIT-AWEZNQCLSA-N 1 0 218.344 1.913 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH3+])[C@@H]2C1 ZINC000101663087 384684941 /nfs/dbraw/zinc/68/49/41/384684941.db2.gz BZUMXXCFQUZQAV-PSVAKVPMSA-N 1 0 212.293 1.058 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)c1ccccc1 ZINC000082590087 384693419 /nfs/dbraw/zinc/69/34/19/384693419.db2.gz YHXDELLZIAKIIF-LLVKDONJSA-N 1 0 204.273 1.250 50 0 BDAARO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc[nH]n1)C2 ZINC000097084966 384700140 /nfs/dbraw/zinc/70/01/40/384700140.db2.gz RGCFPWAAAUUQPS-GXFFZTMASA-N 1 0 249.314 1.185 50 0 BDAARO Cc1csc(C[NH2+][C@@H](C)Cn2cccn2)n1 ZINC000082725381 384708782 /nfs/dbraw/zinc/70/87/82/384708782.db2.gz LIVFVYJVDBQRAX-VIFPVBQESA-N 1 0 236.344 1.826 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000083050242 384736848 /nfs/dbraw/zinc/73/68/48/384736848.db2.gz WWVFPVXAOTXXOG-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO CSc1ccc(N(C)C(=O)CC[NH3+])cc1 ZINC000082600190 384740806 /nfs/dbraw/zinc/74/08/06/384740806.db2.gz ZSAGRTJACJZWLG-UHFFFAOYSA-N 1 0 224.329 1.720 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[NH2+]C[C@@H]2C1 ZINC000083339322 384758197 /nfs/dbraw/zinc/75/81/97/384758197.db2.gz XMNLSMUWYYKSRJ-GHMZBOCLSA-N 1 0 240.347 1.853 50 0 BDAARO CC/C=C(/C)C(=O)N1CCC(C[NH3+])CC1 ZINC000044512814 384767095 /nfs/dbraw/zinc/76/70/95/384767095.db2.gz KMOYMBHKARYVHB-WMZJFQQLSA-N 1 0 210.321 1.540 50 0 BDAARO CN(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000022942447 384780585 /nfs/dbraw/zinc/78/05/85/384780585.db2.gz SMWIUHREBRXUMI-UHFFFAOYSA-N 1 0 212.724 1.991 50 0 BDAARO C[C@H](CSC(C)(C)C)[NH2+]CC[S@](C)=O ZINC000167813594 384820620 /nfs/dbraw/zinc/82/06/20/384820620.db2.gz XATDPMOSFHNKPS-YMTOWFKASA-N 1 0 237.434 1.875 50 0 BDAARO C[C@H](CSC(C)(C)C)[NH2+]CC[S@@](C)=O ZINC000167813808 384821974 /nfs/dbraw/zinc/82/19/74/384821974.db2.gz XATDPMOSFHNKPS-OTYXRUKQSA-N 1 0 237.434 1.875 50 0 BDAARO C[C@@H]([NH3+])c1ccc(N2CCCNC2=O)cc1 ZINC000083684237 384789339 /nfs/dbraw/zinc/78/93/39/384789339.db2.gz URIXMQRYAWSUSE-SECBINFHSA-N 1 0 219.288 1.626 50 0 BDAARO C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000083684262 384790390 /nfs/dbraw/zinc/79/03/90/384790390.db2.gz KHJXMCNXAIISCX-VIFPVBQESA-N 1 0 220.272 1.924 50 0 BDAARO Cc1cc(C(C)(C)C)oc1C(=O)NCCC[NH3+] ZINC000004618953 384802494 /nfs/dbraw/zinc/80/24/94/384802494.db2.gz VGLFRUSHTSJTEO-UHFFFAOYSA-N 1 0 238.331 1.964 50 0 BDAARO C1CC1c1nnc(C2CC[NH2+]CC2)s1 ZINC000026424261 384873758 /nfs/dbraw/zinc/87/37/58/384873758.db2.gz HSUASORYCIOYDO-UHFFFAOYSA-N 1 0 209.318 1.883 50 0 BDAARO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)OC(C)(C)C ZINC000084237406 384852930 /nfs/dbraw/zinc/85/29/30/384852930.db2.gz ZGIHBYXILBKXGA-RKDXNWHRSA-N 1 0 214.309 1.733 50 0 BDAARO [NH3+]C[C@H]1CCN(Cc2ccccc2F)C1 ZINC000054956851 384860619 /nfs/dbraw/zinc/86/06/19/384860619.db2.gz LPGFHFDNRSIKNH-SNVBAGLBSA-N 1 0 208.280 1.606 50 0 BDAARO [NH3+]C[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000148461458 384889215 /nfs/dbraw/zinc/88/92/15/384889215.db2.gz JUOOTPCVPUXCDN-CHWSQXEVSA-N 1 0 202.301 1.467 50 0 BDAARO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000062112854 385064364 /nfs/dbraw/zinc/06/43/64/385064364.db2.gz IIIDQJRRLDCYLA-RKDXNWHRSA-N 1 0 224.329 1.535 50 0 BDAARO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CC[NH3+] ZINC000269055624 385184971 /nfs/dbraw/zinc/18/49/71/385184971.db2.gz GRBKPGYJAASFSK-JSGCOSHPSA-N 1 0 246.354 1.815 50 0 BDAARO c1cnc2sc(N3CCC[NH2+]CC3)nc2c1 ZINC000032918571 385189603 /nfs/dbraw/zinc/18/96/03/385189603.db2.gz NROLXHAOPXFRLR-UHFFFAOYSA-N 1 0 234.328 1.491 50 0 BDAARO CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000062208823 385164538 /nfs/dbraw/zinc/16/45/38/385164538.db2.gz DIXXWMKRKCSIPO-GXSJLCMTSA-N 1 0 208.236 1.056 50 0 BDAARO CCCCCNC(=O)C[N@H+](C)CC(C)C ZINC000062364914 385169793 /nfs/dbraw/zinc/16/97/93/385169793.db2.gz DRQFHGSJCJPPQF-UHFFFAOYSA-N 1 0 214.353 1.881 50 0 BDAARO c1cnc(N2CCC[N@@H+](CC3CCC3)CC2)nc1 ZINC000096443345 385171509 /nfs/dbraw/zinc/17/15/09/385171509.db2.gz YWQHEJXJIAIUGY-UHFFFAOYSA-N 1 0 246.358 1.789 50 0 BDAARO [NH3+][C@H](CC(F)F)C(=O)N1CCCCCC1 ZINC000308853186 385217093 /nfs/dbraw/zinc/21/70/93/385217093.db2.gz RYVZQFOHBZHUAG-MRVPVSSYSA-N 1 0 220.263 1.372 50 0 BDAARO C[N@H+](CCCn1cccn1)Cc1ccccn1 ZINC000065405461 385305894 /nfs/dbraw/zinc/30/58/94/385305894.db2.gz GGNAJNCJNGXRCV-UHFFFAOYSA-N 1 0 230.315 1.800 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000041028515 385312838 /nfs/dbraw/zinc/31/28/38/385312838.db2.gz RPKLPBBLNWJEIR-LBPRGKRZSA-N 1 0 232.327 1.867 50 0 BDAARO O=CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000023282429 385286155 /nfs/dbraw/zinc/28/61/55/385286155.db2.gz ZYDMUBLXWGIOLD-HNNXBMFYSA-N 1 0 244.338 1.318 50 0 BDAARO c1nnc(C[C@H]2CCC[NH2+]C2)n1CC1CC1 ZINC000169676633 385416741 /nfs/dbraw/zinc/41/67/41/385416741.db2.gz REGNDIRRMPNDOM-LLVKDONJSA-N 1 0 220.320 1.230 50 0 BDAARO C[NH+](C)C1CCN(c2cncc(C=O)c2)CC1 ZINC000169725604 385418437 /nfs/dbraw/zinc/41/84/37/385418437.db2.gz GUVNOILUJORNNH-UHFFFAOYSA-N 1 0 233.315 1.425 50 0 BDAARO CN(Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC000002649461 385508906 /nfs/dbraw/zinc/50/89/06/385508906.db2.gz JZMPVKAAGJORTE-UHFFFAOYSA-N 1 0 232.327 1.741 50 0 BDAARO c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650911 385603591 /nfs/dbraw/zinc/60/35/91/385603591.db2.gz PYVXWWICILLOFY-KGLIPLIRSA-N 1 0 216.328 1.870 50 0 BDAARO CCCn1c[n+](Cc2cccc(C)c2)cn1 ZINC000252484479 385651014 /nfs/dbraw/zinc/65/10/14/385651014.db2.gz FXMGPCZDYTZIIV-UHFFFAOYSA-N 1 0 216.308 1.937 50 0 BDAARO O=C(/C=C/c1cccc(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000120325717 385677971 /nfs/dbraw/zinc/67/79/71/385677971.db2.gz QGCCJDQHZYGRRD-YBJDMEARSA-N 1 0 248.301 1.707 50 0 BDAARO Fc1ccc(C[NH2+][C@@H]2CCCOCC2)nc1 ZINC000309568395 385704253 /nfs/dbraw/zinc/70/42/53/385704253.db2.gz LTOQCLIHIQXQPV-LLVKDONJSA-N 1 0 224.279 1.879 50 0 BDAARO Cc1cc(C)n(CC[N@@H+](C)[C@@H]2CCSC2)n1 ZINC000270468797 385710469 /nfs/dbraw/zinc/71/04/69/385710469.db2.gz BOKVXUYCZOZKCE-GFCCVEGCSA-N 1 0 239.388 1.937 50 0 BDAARO C[NH+](C)CCCn1cnn2c3ccccc3nc12 ZINC000000779955 385893815 /nfs/dbraw/zinc/89/38/15/385893815.db2.gz ZOGIVFNTULRYGE-UHFFFAOYSA-N 1 0 243.314 1.636 50 0 BDAARO C[C@@H](C[NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000335015053 385882296 /nfs/dbraw/zinc/88/22/96/385882296.db2.gz WXBFWCHRNSDSMX-QMMMGPOBSA-N 1 0 222.263 1.310 50 0 BDAARO CC/C=C/CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000189453674 386016919 /nfs/dbraw/zinc/01/69/19/386016919.db2.gz FYOCGYMPEGJKNM-HEKLCECKSA-N 1 0 224.348 1.976 50 0 BDAARO Cc1nc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)o1 ZINC000132723987 386250892 /nfs/dbraw/zinc/25/08/92/386250892.db2.gz VTBBSXADTAJVPJ-HTQZYQBOSA-N 1 0 237.303 1.114 50 0 BDAARO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000225397034 386192134 /nfs/dbraw/zinc/19/21/34/386192134.db2.gz JESCDOWVVZVPIT-QWHCGFSZSA-N 1 0 249.310 1.824 50 0 BDAARO c1cnc(NCCCC[NH+]2CCOCC2)cn1 ZINC000298694693 386373374 /nfs/dbraw/zinc/37/33/74/386373374.db2.gz FPEPWCKQNJIDTK-UHFFFAOYSA-N 1 0 236.319 1.001 50 0 BDAARO [NH3+]C[C@@H]1CC(Cc2cccc(F)c2)=NO1 ZINC000299790779 386490442 /nfs/dbraw/zinc/49/04/42/386490442.db2.gz CAEWBOJNCQLQOB-NSHDSACASA-N 1 0 208.236 1.472 50 0 BDAARO CCC[C@@H](CNC(=O)C1(COC)CC1)[NH+](C)C ZINC000534585870 386645830 /nfs/dbraw/zinc/64/58/30/386645830.db2.gz RIEXYWPEQCOLOU-NSHDSACASA-N 1 0 242.363 1.260 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1F ZINC000063058210 386659606 /nfs/dbraw/zinc/65/96/06/386659606.db2.gz UEHXEAXAFWTCRB-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO C[NH+](C)CCSc1nnc2ccccn21 ZINC000585145834 386690110 /nfs/dbraw/zinc/69/01/10/386690110.db2.gz XOPHNVGCMLIHSY-UHFFFAOYSA-N 1 0 222.317 1.383 50 0 BDAARO Cc1cccc(NC(=O)N(C)CC[NH3+])c1F ZINC000334840721 386884055 /nfs/dbraw/zinc/88/40/55/386884055.db2.gz BJWURHWUIGVNQI-UHFFFAOYSA-N 1 0 225.267 1.557 50 0 BDAARO FC[C@@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000334860310 386912705 /nfs/dbraw/zinc/91/27/05/386912705.db2.gz XMFAEQHEIHZQIG-NXEZZACHSA-N 1 0 219.325 1.410 50 0 BDAARO [NH3+][C@H]1CCN(Cc2ccccc2)CC1(F)F ZINC000118360057 387056068 /nfs/dbraw/zinc/05/60/68/387056068.db2.gz UYGYDHWSKUCHFY-NSHDSACASA-N 1 0 226.270 1.855 50 0 BDAARO [NH3+][C@@H]1CCN(Cc2ccccc2)CC1(F)F ZINC000118360054 387056589 /nfs/dbraw/zinc/05/65/89/387056589.db2.gz UYGYDHWSKUCHFY-LLVKDONJSA-N 1 0 226.270 1.855 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC000053202633 387019037 /nfs/dbraw/zinc/01/90/37/387019037.db2.gz ZLRUVKDTWZZDGQ-NSHDSACASA-N 1 0 233.315 1.214 50 0 BDAARO [NH3+]CCCc1ccc2c(c1)OCCCO2 ZINC000041215955 387151813 /nfs/dbraw/zinc/15/18/13/387151813.db2.gz MXZAAGPSQNELMM-UHFFFAOYSA-N 1 0 207.273 1.739 50 0 BDAARO OC[C@@]1(F)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000334480324 387490890 /nfs/dbraw/zinc/49/08/90/387490890.db2.gz UXZLRAVUCAXMMF-NWDGAFQWSA-N 1 0 213.296 1.892 50 0 BDAARO CC(C)Cn1c(C[NH3+])nnc1SCC1CC1 ZINC000426599808 387582525 /nfs/dbraw/zinc/58/25/25/387582525.db2.gz VSGAKQILAIZUBB-UHFFFAOYSA-N 1 0 240.376 1.895 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]1(C)C[NH3+] ZINC000238115024 387599023 /nfs/dbraw/zinc/59/90/23/387599023.db2.gz UKKWLYCFJANZTK-SNVBAGLBSA-N 1 0 200.282 1.345 50 0 BDAARO C[S@](=O)CC[NH2+]Cc1c(F)cccc1Cl ZINC000089493102 387640342 /nfs/dbraw/zinc/64/03/42/387640342.db2.gz LLMWUIQWQPZPCO-OAHLLOKOSA-N 1 0 249.738 1.947 50 0 BDAARO C1=C[C@@]2(CC[NH2+]C2)Oc2cc3c(cc21)OCO3 ZINC000036141956 387764202 /nfs/dbraw/zinc/76/42/02/387764202.db2.gz IJNAXKKFAGAUJS-ZDUSSCGKSA-N 1 0 231.251 1.553 50 0 BDAARO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)o1 ZINC000050228594 387926374 /nfs/dbraw/zinc/92/63/74/387926374.db2.gz XGZGZXZKIVGGDW-VIFPVBQESA-N 1 0 208.261 1.070 50 0 BDAARO CC(C)c1ccc(CCNC(N)=[NH2+])cc1 ZINC000071509817 388096152 /nfs/dbraw/zinc/09/61/52/388096152.db2.gz CRKWBDZDSQFAGZ-UHFFFAOYSA-N 1 0 205.305 1.836 50 0 BDAARO CC[N@H+](CC(N)=O)[C@@H](C)c1cccc(OC)c1 ZINC000071793094 388113757 /nfs/dbraw/zinc/11/37/57/388113757.db2.gz ZDKJMUIZUSESQW-JTQLQIEISA-N 1 0 236.315 1.563 50 0 BDAARO c1nncn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000065385551 388260743 /nfs/dbraw/zinc/26/07/43/388260743.db2.gz OLZQXQYQWJKISZ-ZDUSSCGKSA-N 1 0 228.299 1.725 50 0 BDAARO CON(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000057910624 388369568 /nfs/dbraw/zinc/36/95/68/388369568.db2.gz PBFLUUSIWRGZOR-CYBMUJFWSA-N 1 0 248.326 1.843 50 0 BDAARO CC(C)[N@H+](CCN1CCOCC1)C[C@@H]1C[C@@H]1C ZINC000089922125 388373021 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/nfs/dbraw/zinc/41/90/44/388419044.db2.gz KTTAGWJNVWAQSB-ZDUSSCGKSA-N 1 0 226.364 1.582 50 0 BDAARO CCOCC[NH2+][C@@H](C)Cn1cc(C)cn1 ZINC000069569659 388420391 /nfs/dbraw/zinc/42/03/91/388420391.db2.gz MNTOUBMIVDOWKI-NSHDSACASA-N 1 0 211.309 1.206 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000070173039 388433522 /nfs/dbraw/zinc/43/35/22/388433522.db2.gz JPZAPTUPEPHPFP-NXEZZACHSA-N 1 0 237.303 1.182 50 0 BDAARO COc1cccc(CNC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000070093489 388433800 /nfs/dbraw/zinc/43/38/00/388433800.db2.gz KUOKCJVYBYXUHC-LBPRGKRZSA-N 1 0 249.358 1.522 50 0 BDAARO Cc1ccoc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070175884 388433942 /nfs/dbraw/zinc/43/39/42/388433942.db2.gz FCOSDWYCFIZSTA-GXSJLCMTSA-N 1 0 236.315 1.787 50 0 BDAARO CC(C)(C)[C@@H]([NH2+]CC(N)=O)c1cccs1 ZINC000054417137 388520213 /nfs/dbraw/zinc/52/02/13/388520213.db2.gz AZZGXZVDLXNYOK-JTQLQIEISA-N 1 0 226.345 1.910 50 0 BDAARO CSC[C@@](C)(O)C[NH2+]C[C@H]1CCSC1 ZINC000225610821 388594932 /nfs/dbraw/zinc/59/49/32/388594932.db2.gz AAUYLQJLSFCXAE-ZJUUUORDSA-N 1 0 235.418 1.443 50 0 BDAARO CCCn1nc(C)c(C[N@H+](C)C[C@H](C)O)c1C ZINC000130710039 388572059 /nfs/dbraw/zinc/57/20/59/388572059.db2.gz SHQHSTYIQNOPSW-JTQLQIEISA-N 1 0 239.363 1.723 50 0 BDAARO Cc1cc(=O)oc2cc(NC(=O)CC[NH3+])ccc12 ZINC000002517159 177720690 /nfs/dbraw/zinc/72/06/90/177720690.db2.gz XVPHMSHALUIYLX-UHFFFAOYSA-N 1 0 246.266 1.389 50 0 BDAARO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313693 388648978 /nfs/dbraw/zinc/64/89/78/388648978.db2.gz SACQWVKEYOOHKN-SKDRFNHKSA-N 1 0 209.264 1.953 50 0 BDAARO COC[C@](C)(CCO)[NH2+]Cc1c(C)noc1C ZINC000079920630 388755478 /nfs/dbraw/zinc/75/54/78/388755478.db2.gz HYJNTMSHBQURFP-LBPRGKRZSA-N 1 0 242.319 1.169 50 0 BDAARO CO[C@@H]1C[N@H+](Cc2cncs2)CC[C@@H]1C ZINC000225493607 388721581 /nfs/dbraw/zinc/72/15/81/388721581.db2.gz UXYBJSJEXNRBGO-GXSJLCMTSA-N 1 0 226.345 2.000 50 0 BDAARO C[C@H](C(N)=O)[NH+]1CCC(c2ccccc2)CC1 ZINC000012867360 388724882 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/nfs/dbraw/zinc/32/47/07/132324707.db2.gz IYERCEJLGNFGOU-UHFFFAOYSA-N 1 0 204.273 1.662 50 0 BDAARO NC(=[NH2+])c1ccnc(N2CCCCC2)c1 ZINC000019507630 132325735 /nfs/dbraw/zinc/32/57/35/132325735.db2.gz CQPSQBTYWLNQLZ-UHFFFAOYSA-N 1 0 204.277 1.356 50 0 BDAARO c1ccc2c(c1)cnnc2N1CC[NH2+]CC1 ZINC000021948983 132332086 /nfs/dbraw/zinc/33/20/86/132332086.db2.gz DZWBPVWZCQJMGW-UHFFFAOYSA-N 1 0 214.272 1.039 50 0 BDAARO [NH3+]CCc1ccc(N2CCOCC2)c(F)c1 ZINC000044399070 132354107 /nfs/dbraw/zinc/35/41/07/132354107.db2.gz JSZBKGXHHJOSCC-UHFFFAOYSA-N 1 0 224.279 1.164 50 0 BDAARO Cc1ccc(C[NH3+])c(N2CCOCC2)c1 ZINC000051578549 132361333 /nfs/dbraw/zinc/36/13/33/132361333.db2.gz FBIJCPWLIAYGLR-UHFFFAOYSA-N 1 0 206.289 1.290 50 0 BDAARO [NH3+][C@H]1CCCN(c2cc(N3CCCC3)ncn2)C1 ZINC000065269264 132389529 /nfs/dbraw/zinc/38/95/29/132389529.db2.gz NDUQATOERCLXSQ-NSHDSACASA-N 1 0 247.346 1.004 50 0 BDAARO CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000069350642 132390290 /nfs/dbraw/zinc/39/02/90/132390290.db2.gz 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OBVFUPWPLKPWGS-UHFFFAOYSA-N 1 0 225.311 1.910 50 0 BDAARO CC(C)NC(=O)C[NH2+]C1CCCCCC1 ZINC000037387747 167058780 /nfs/dbraw/zinc/05/87/80/167058780.db2.gz VEPGSIGLCIAQCI-UHFFFAOYSA-N 1 0 212.337 1.823 50 0 BDAARO C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000038121284 173452582 /nfs/dbraw/zinc/45/25/82/173452582.db2.gz IKMBDPPXZXBHLG-SECBINFHSA-N 1 0 230.105 1.702 50 0 BDAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCOCC1 ZINC000095423676 487582788 /nfs/dbraw/zinc/58/27/88/487582788.db2.gz GBBLGXWXYCOWMB-KBPBESRZSA-N 1 0 233.311 1.413 50 0 BDAARO CC(C)OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000089887797 167261159 /nfs/dbraw/zinc/26/11/59/167261159.db2.gz VREVIQZMKZVJKW-MNOVXSKESA-N 1 0 217.353 1.797 50 0 BDAARO CCSCC[N@H+]1CC=C(CNC(C)=O)CC1 ZINC000065503529 409992667 /nfs/dbraw/zinc/99/26/67/409992667.db2.gz UFGRWQQTANVBKK-UHFFFAOYSA-N 1 0 242.388 1.508 50 0 BDAARO Brc1ccc(COC2C[NH2+]C2)cc1 ZINC000042770102 166097849 /nfs/dbraw/zinc/09/78/49/166097849.db2.gz ADYNSXIYNSNTQY-UHFFFAOYSA-N 1 0 242.116 1.938 50 0 BDAARO CC(C)(C)[NH2+]CCNC(=O)c1ccnc(F)c1 ZINC000096418539 166632337 /nfs/dbraw/zinc/63/23/37/166632337.db2.gz IUEQWCXOBXVZMG-UHFFFAOYSA-N 1 0 239.294 1.339 50 0 BDAARO CC(C)CC(=O)OCC[C@@H]1CCC[NH2+]C1 ZINC000042769122 166775632 /nfs/dbraw/zinc/77/56/32/166775632.db2.gz NEROKQWQTXOETN-NSHDSACASA-N 1 0 213.321 1.965 50 0 BDAARO CC(C)CNC(=O)c1cccc(C[NH3+])c1 ZINC000019722454 166999151 /nfs/dbraw/zinc/99/91/51/166999151.db2.gz DXLIXGGMTLZPRC-UHFFFAOYSA-N 1 0 206.289 1.531 50 0 BDAARO CC(C)[NH2+]CCNC(=O)c1cccs1 ZINC000004498187 167106344 /nfs/dbraw/zinc/10/63/44/167106344.db2.gz OKRSNPLAOFXFPT-UHFFFAOYSA-N 1 0 212.318 1.476 50 0 BDAARO CC(C)[NH2+]Cc1nc(-c2cccnc2)no1 ZINC000037395635 167122097 /nfs/dbraw/zinc/12/20/97/167122097.db2.gz UDDKONPRSPIWDA-UHFFFAOYSA-N 1 0 218.260 1.630 50 0 BDAARO CC(C)OC(=O)CC[C@@H]([NH3+])c1cccnc1 ZINC000225523434 167159902 /nfs/dbraw/zinc/15/99/02/167159902.db2.gz OQWLANMBNVXZFM-LLVKDONJSA-N 1 0 222.288 1.813 50 0 BDAARO CC(C)OC(=O)Cc1csc(C[NH3+])n1 ZINC000088613726 167161395 /nfs/dbraw/zinc/16/13/95/167161395.db2.gz QNEDAKYVIOHXCX-UHFFFAOYSA-N 1 0 214.290 1.096 50 0 BDAARO CC[NH+](CC)CCS[C@@H]1CCCCNC1=O ZINC000083093323 169782853 /nfs/dbraw/zinc/78/28/53/169782853.db2.gz DGIRQTMADUGSDP-LLVKDONJSA-N 1 0 244.404 1.730 50 0 BDAARO CC(C)OC[C@@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000225718116 167257128 /nfs/dbraw/zinc/25/71/28/167257128.db2.gz QZFOIWCWZRARQA-GRYCIOLGSA-N 1 0 213.321 1.327 50 0 BDAARO CC(C)Oc1ccc(CNC(N)=[NH2+])cc1 ZINC000057887665 167293455 /nfs/dbraw/zinc/29/34/55/167293455.db2.gz GIRMNFMPZKXIBC-UHFFFAOYSA-N 1 0 207.277 1.457 50 0 BDAARO CC(C)Sc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005390171 167338207 /nfs/dbraw/zinc/33/82/07/167338207.db2.gz NDDOKYAAYRRSTP-ZETCQYMHSA-N 1 0 213.306 1.995 50 0 BDAARO CC(C)[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000097034838 167384740 /nfs/dbraw/zinc/38/47/40/167384740.db2.gz SPACTEBCQZOKDD-SNVBAGLBSA-N 1 0 222.336 1.677 50 0 BDAARO CC(C)n1cc(C[N@@H+](C)C[C@H](C)O)cn1 ZINC000187822830 167744035 /nfs/dbraw/zinc/74/40/35/167744035.db2.gz DCDNOAOIBFINJH-JTQLQIEISA-N 1 0 211.309 1.277 50 0 BDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]CCn2cncn2)c1 ZINC000069489400 411179073 /nfs/dbraw/zinc/17/90/73/411179073.db2.gz VYLMRZXLOQNHSM-RYUDHWBXSA-N 1 0 248.334 1.022 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOC ZINC000048419008 411196607 /nfs/dbraw/zinc/19/66/07/411196607.db2.gz WWGPUDDDBQMVKE-LLVKDONJSA-N 1 0 228.336 1.014 50 0 BDAARO CC1(C(=O)NCC2(C)CC[NH2+]CC2)CCC1 ZINC000252488767 168027969 /nfs/dbraw/zinc/02/79/69/168027969.db2.gz IYMFCISRHOEIBE-UHFFFAOYSA-N 1 0 224.348 1.683 50 0 BDAARO CC1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000004287442 168174299 /nfs/dbraw/zinc/17/42/99/168174299.db2.gz WKILQTXHVFGERV-LLVKDONJSA-N 1 0 210.321 1.245 50 0 BDAARO CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045083716 168219546 /nfs/dbraw/zinc/21/95/46/168219546.db2.gz OMCWCBMFFNCSGO-UHFFFAOYSA-N 1 0 210.321 1.483 50 0 BDAARO [NH3+]C1(CNC(=O)NC2CCCC2)CCCC1 ZINC000659424647 411413916 /nfs/dbraw/zinc/41/39/16/411413916.db2.gz YBYPFWBGZWYWFA-UHFFFAOYSA-N 1 0 225.336 1.500 50 0 BDAARO CCN(Cc1ccccc1C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062113012 169918783 /nfs/dbraw/zinc/91/87/83/169918783.db2.gz SGJLTVSHZVWHEX-ZDUSSCGKSA-N 1 0 246.354 1.953 50 0 BDAARO CCN1CCO[C@@H](C[NH2+]C2CCCC2)C1 ZINC000069774147 170005301 /nfs/dbraw/zinc/00/53/01/170005301.db2.gz JSEJDTVMDYQDKE-LBPRGKRZSA-N 1 0 212.337 1.239 50 0 BDAARO CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000000874230 170097267 /nfs/dbraw/zinc/09/72/67/170097267.db2.gz ITMWMUMGRHXBTK-LLVKDONJSA-N 1 0 231.299 1.174 50 0 BDAARO CC[NH2+]CCOc1ccc(C)cc1OC ZINC000006702639 170116434 /nfs/dbraw/zinc/11/64/34/170116434.db2.gz SGTHIHCSDHVIAF-UHFFFAOYSA-N 1 0 209.289 1.992 50 0 BDAARO CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000034825200 170128350 /nfs/dbraw/zinc/12/83/50/170128350.db2.gz BVDMDFCQKXGBIZ-UHFFFAOYSA-N 1 0 202.261 1.377 50 0 BDAARO CC[NH2+][C@@H](C)Cc1ccc2c(c1)OCO2 ZINC000000000441 170140239 /nfs/dbraw/zinc/14/02/39/170140239.db2.gz PVXVWWANJIWJOO-VIFPVBQESA-N 1 0 207.273 1.956 50 0 in-man BDAARO CC[NH2+][C@H](CC)C(=O)c1ccc2c(c1)OCO2 ZINC000071545419 170161179 /nfs/dbraw/zinc/16/11/79/170161179.db2.gz YERSNXHEOIYEGX-SNVBAGLBSA-N 1 0 235.283 1.986 50 0 in-vitro BDAARO CCOC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000241739127 170206472 /nfs/dbraw/zinc/20/64/72/170206472.db2.gz RAGFAEKPVOTHSN-UHFFFAOYSA-N 1 0 240.347 1.110 50 0 BDAARO CCOC(=O)CN1c2ccccc2N2CC[NH+]=C12 ZINC000004092573 170218022 /nfs/dbraw/zinc/21/80/22/170218022.db2.gz ALIQXCBHUYFZNF-UHFFFAOYSA-N 1 0 245.282 1.246 50 0 BDAARO CCOC(=O)[C@@](C)(C[NH3+])c1ccccc1 ZINC000075614552 170260291 /nfs/dbraw/zinc/26/02/91/170260291.db2.gz LKNVZDGIZXPBME-LBPRGKRZSA-N 1 0 207.273 1.466 50 0 BDAARO CCOC(=O)[C@H](C[NH2+]C)Cc1ccc(C)cc1 ZINC000012649762 170273200 /nfs/dbraw/zinc/27/32/00/170273200.db2.gz CFRDAGBUYJXANB-ZDUSSCGKSA-N 1 0 235.327 1.936 50 0 BDAARO CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000083433948 170282187 /nfs/dbraw/zinc/28/21/87/170282187.db2.gz 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QSDKDDAXPFYOOC-CHWSQXEVSA-N 1 0 248.326 1.324 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000236953968 171068293 /nfs/dbraw/zinc/06/82/93/171068293.db2.gz QQEHSWQIBKMLQZ-KKOKHZNYSA-N 1 0 240.347 1.140 50 0 BDAARO CC[C@@H]1C[N@H+](CCn2cncn2)CCS1 ZINC000076072491 171084404 /nfs/dbraw/zinc/08/44/04/171084404.db2.gz OQABHZLGOPLVOF-SNVBAGLBSA-N 1 0 226.349 1.106 50 0 BDAARO CC[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCS1 ZINC000076071971 171097197 /nfs/dbraw/zinc/09/71/97/171097197.db2.gz RXESVYREDFPZJP-NXEZZACHSA-N 1 0 228.361 1.045 50 0 BDAARO CC[C@@](C)([NH2+]C[C@@H](C)CC(C)C)C(N)=O ZINC000253393561 171175628 /nfs/dbraw/zinc/17/56/28/171175628.db2.gz KIXNSBCWNURZJD-CMPLNLGQSA-N 1 0 214.353 1.912 50 0 BDAARO CC[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000022143216 171337549 /nfs/dbraw/zinc/33/75/49/171337549.db2.gz FWYCYHLNNZQGIU-VIFPVBQESA-N 1 0 206.289 1.674 50 0 BDAARO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CN2CCN1CC2 ZINC000090648008 171365178 /nfs/dbraw/zinc/36/51/78/171365178.db2.gz RZIAIXBWOVJRFH-YNEHKIRRSA-N 1 0 225.380 1.010 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000037022731 171606053 /nfs/dbraw/zinc/60/60/53/171606053.db2.gz NCJWFUVOHXYXCM-WDEREUQCSA-N 1 0 210.321 1.530 50 0 BDAARO CCc1noc(-c2ccc(CC[NH3+])cc2)n1 ZINC000036908816 172072877 /nfs/dbraw/zinc/07/28/77/172072877.db2.gz YNPIXLIBKJGSSR-UHFFFAOYSA-N 1 0 217.272 1.800 50 0 BDAARO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C(C)C ZINC000275455518 172230829 /nfs/dbraw/zinc/23/08/29/172230829.db2.gz GUDIUXICRWMTHB-QWRGUYRKSA-N 1 0 223.320 1.731 50 0 BDAARO CCn1nccc1C[N@@H+]1CCCSCC1 ZINC000097375240 172266433 /nfs/dbraw/zinc/26/64/33/172266433.db2.gz ZOXGDCZKFRCGAV-UHFFFAOYSA-N 1 0 225.361 1.842 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000020357606 172325467 /nfs/dbraw/zinc/32/54/67/172325467.db2.gz RTXNDTNDOHQMTI-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO CN(C(=O)c1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000037539666 172340169 /nfs/dbraw/zinc/34/01/69/172340169.db2.gz GUVOUWSDBNUCFK-VIFPVBQESA-N 1 0 240.253 1.399 50 0 BDAARO CN(C)c1ccc(C(=S)N2CC[NH2+]CC2)cc1 ZINC000000302349 172551125 /nfs/dbraw/zinc/55/11/25/172551125.db2.gz MICJKRACZAEWCS-UHFFFAOYSA-N 1 0 249.383 1.333 50 0 BDAARO C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012057374 173062608 /nfs/dbraw/zinc/06/26/08/173062608.db2.gz GTYSNOQUAYECTF-AWEZNQCLSA-N 1 0 219.328 1.933 50 0 BDAARO C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634450 173075473 /nfs/dbraw/zinc/07/54/73/173075473.db2.gz DYHUXIARKJHEDW-VMPITWQZSA-N 1 0 216.328 1.947 50 0 BDAARO C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000022031952 173075659 /nfs/dbraw/zinc/07/56/59/173075659.db2.gz DYHUXIARKJHEDW-YVMONPNESA-N 1 0 216.328 1.947 50 0 BDAARO C[NH+]1CCN(CCOc2ccc(C=O)cc2)CC1 ZINC000019735684 173082905 /nfs/dbraw/zinc/08/29/05/173082905.db2.gz AGAKHJJMBZUXKF-UHFFFAOYSA-N 1 0 248.326 1.125 50 0 BDAARO CN1CCN([C@H]2CC[N@H+](Cc3ccoc3)C2)CC1 ZINC000097729753 173094602 /nfs/dbraw/zinc/09/46/02/173094602.db2.gz KAEXZCMYGQYCTL-AWEZNQCLSA-N 1 0 249.358 1.101 50 0 BDAARO CN1CCO[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC000069384205 173102736 /nfs/dbraw/zinc/10/27/36/173102736.db2.gz JNMSFESNXSOUHX-PXTSUWAFSA-N 1 0 246.354 1.620 50 0 BDAARO CN1C[C@H]([NH2+]C[C@@H]2CC=CCC2)CC1=O ZINC000098020655 173195426 /nfs/dbraw/zinc/19/54/26/173195426.db2.gz JJYRASANHGWQGQ-GHMZBOCLSA-N 1 0 208.305 1.163 50 0 BDAARO CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000071862955 173291354 /nfs/dbraw/zinc/29/13/54/173291354.db2.gz WOCNABBLCIHVPE-SNVBAGLBSA-N 1 0 237.303 1.346 50 0 BDAARO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)s1 ZINC000092097571 173306964 /nfs/dbraw/zinc/30/69/64/173306964.db2.gz AEXUKIBVWKYXPW-LLVKDONJSA-N 1 0 238.356 1.767 50 0 BDAARO C[NH2+]CC(=O)N1CCC[C@H]1c1ccccc1C ZINC000037817334 173326308 /nfs/dbraw/zinc/32/63/08/173326308.db2.gz AMJPNJVCEIVPNB-ZDUSSCGKSA-N 1 0 232.327 1.878 50 0 BDAARO C[NH2+]CCN(C)C[C@@H]1CCOc2ccccc2C1 ZINC000095523862 173352579 /nfs/dbraw/zinc/35/25/79/173352579.db2.gz YFGWSZVFHYJSDP-CYBMUJFWSA-N 1 0 248.370 1.779 50 0 BDAARO C[NH2+]CCNC(=O)OCc1ccccc1 ZINC000034502875 173355223 /nfs/dbraw/zinc/35/52/23/173355223.db2.gz MJBYFHHGDZWPJP-UHFFFAOYSA-N 1 0 208.261 1.132 50 0 BDAARO C[NH2+]CCc1noc(-c2ccccc2)n1 ZINC000034928786 173362008 /nfs/dbraw/zinc/36/20/08/173362008.db2.gz VZAGNHFAPGTOPM-UHFFFAOYSA-N 1 0 203.245 1.499 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)C1 ZINC000178996643 173370043 /nfs/dbraw/zinc/37/00/43/173370043.db2.gz RIFPLLIEXOXHEJ-IHVVCDCBSA-N 1 0 245.326 1.163 50 0 BDAARO C[NH2+]C[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000095742900 173384147 /nfs/dbraw/zinc/38/41/47/173384147.db2.gz MVLLWEDMAQXEEC-LBPRGKRZSA-N 1 0 228.336 1.995 50 0 BDAARO COCCCOCC[C@@H]1CCC[NH2+]C1 ZINC000042772101 174255304 /nfs/dbraw/zinc/25/53/04/174255304.db2.gz IUODXMBACYHSIT-NSHDSACASA-N 1 0 201.310 1.429 50 0 BDAARO COCC[N@H+](C)Cc1ccc(OC)c(F)c1 ZINC000053401152 174279958 /nfs/dbraw/zinc/27/99/58/174279958.db2.gz ZCWUSHDOZFDFQA-UHFFFAOYSA-N 1 0 227.279 1.913 50 0 BDAARO COCCN(CC(C)C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091539416 174287097 /nfs/dbraw/zinc/28/70/97/174287097.db2.gz IPYJEPWKOZWAIX-NEPJUHHUSA-N 1 0 242.363 1.245 50 0 BDAARO COCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000059386460 174308157 /nfs/dbraw/zinc/30/81/57/174308157.db2.gz LYVXELGWMRBECD-LBPRGKRZSA-N 1 0 212.337 1.193 50 0 BDAARO COCCN1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000069819140 174310408 /nfs/dbraw/zinc/31/04/08/174310408.db2.gz YRUPTAMBKFTWQY-CYBMUJFWSA-N 1 0 240.391 1.829 50 0 BDAARO CO[C@@]1(C)C[C@@H]([NH2+]C2CCOCC2)C1(C)C ZINC000072926264 174795379 /nfs/dbraw/zinc/79/53/79/174795379.db2.gz AQYPVTGCWRYHKJ-YPMHNXCESA-N 1 0 227.348 1.959 50 0 BDAARO COc1cc(NCC[C@@H]2CCC[N@@H+]2C)ncn1 ZINC000032578160 175002325 /nfs/dbraw/zinc/00/23/25/175002325.db2.gz KZGGLUPBUDOPQE-JTQLQIEISA-N 1 0 236.319 1.381 50 0 BDAARO COc1cc(OC)cc([C@@H](O)C[NH2+]C(C)C)c1 ZINC000012336853 175011511 /nfs/dbraw/zinc/01/15/11/175011511.db2.gz AOFVOHIPSQYJEE-ZDUSSCGKSA-N 1 0 239.315 1.735 50 0 BDAARO COc1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000003882674 175043277 /nfs/dbraw/zinc/04/32/77/175043277.db2.gz AQZACEUGSCZILP-UHFFFAOYSA-N 1 0 219.244 1.246 50 0 BDAARO COc1ccc(C)cc1CN1CC[NH2+]CC1 ZINC000019770107 175075653 /nfs/dbraw/zinc/07/56/53/175075653.db2.gz VPVBTJQMHXERRH-UHFFFAOYSA-N 1 0 220.316 1.409 50 0 BDAARO COc1ccc(CN2CC[NH2+]CCC2=O)cc1 ZINC000042784339 175100273 /nfs/dbraw/zinc/10/02/73/175100273.db2.gz KLNQDLOSSPFAMS-UHFFFAOYSA-N 1 0 234.299 1.017 50 0 BDAARO COc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000013111192 175103690 /nfs/dbraw/zinc/10/36/90/175103690.db2.gz XPTKFFJDMMLAHO-UHFFFAOYSA-N 1 0 248.326 1.311 50 0 BDAARO COc1ccc(C[NH2+]C2CC2)cc1OC ZINC000008493704 175105362 /nfs/dbraw/zinc/10/53/62/175105362.db2.gz ORZRHMRDNOCKDU-UHFFFAOYSA-N 1 0 207.273 1.956 50 0 BDAARO COc1ccc(C[NH2+]C2CC2)c(OC)c1 ZINC000008473059 175105662 /nfs/dbraw/zinc/10/56/62/175105662.db2.gz LWUFIKVIDUKIGU-UHFFFAOYSA-N 1 0 207.273 1.956 50 0 BDAARO COc1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020126722 175106620 /nfs/dbraw/zinc/10/66/20/175106620.db2.gz BFMSGDKOPLEOOB-UHFFFAOYSA-N 1 0 234.343 1.881 50 0 BDAARO COc1ccc(C[NH2+]C[C@@H](C)O)cc1OC ZINC000000268966 175107180 /nfs/dbraw/zinc/10/71/80/175107180.db2.gz QWSXDJLRBJHSGL-SECBINFHSA-N 1 0 225.288 1.174 50 0 BDAARO COc1ccc(C[C@H](C)C[NH3+])cc1OC ZINC000011975109 175116363 /nfs/dbraw/zinc/11/63/63/175116363.db2.gz DKJSHDOWDCAAQI-VIFPVBQESA-N 1 0 209.289 1.841 50 0 BDAARO COc1ccc(Cl)cc1CN1CC[NH2+]CC1 ZINC000019737251 175120613 /nfs/dbraw/zinc/12/06/13/175120613.db2.gz DWELHCAXFIUDQR-UHFFFAOYSA-N 1 0 240.734 1.754 50 0 BDAARO COc1ccc([C@@H]2C[C@@H]2NC(N)=[NH2+])cc1 ZINC000069350412 175185485 /nfs/dbraw/zinc/18/54/85/175185485.db2.gz STARNZPMKZMYER-UWVGGRQHSA-N 1 0 205.261 1.034 50 0 BDAARO COc1ccc([C@H]([NH3+])CO)c2ccccc12 ZINC000012404638 175191541 /nfs/dbraw/zinc/19/15/41/175191541.db2.gz COSARAPTEFAJJY-GFCCVEGCSA-N 1 0 217.268 1.841 50 0 BDAARO COc1ccc([C@H]2C[C@@H]2NC(N)=[NH2+])cc1 ZINC000069350413 175198134 /nfs/dbraw/zinc/19/81/34/175198134.db2.gz STARNZPMKZMYER-ZJUUUORDSA-N 1 0 205.261 1.034 50 0 BDAARO COc1ccc2nc(NC(=O)C[NH3+])sc2c1 ZINC000019471205 175229170 /nfs/dbraw/zinc/22/91/70/175229170.db2.gz KNBOXSWNSSOSLF-UHFFFAOYSA-N 1 0 237.284 1.202 50 0 BDAARO COc1cccc(C=O)c1OCCC[NH+](C)C ZINC000004842292 175248811 /nfs/dbraw/zinc/24/88/11/175248811.db2.gz IOSXILJZFQRXMC-UHFFFAOYSA-N 1 0 237.299 1.838 50 0 BDAARO COc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000000819567 175256761 /nfs/dbraw/zinc/25/67/61/175256761.db2.gz WXCVYHZGCBQABJ-UHFFFAOYSA-N 1 0 248.326 1.393 50 0 BDAARO COc1cccc(Cn2cnc(CC[NH3+])c2)c1 ZINC000071535305 175273345 /nfs/dbraw/zinc/27/33/45/175273345.db2.gz VAXPJCDLMOZXMV-UHFFFAOYSA-N 1 0 231.299 1.441 50 0 BDAARO COc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019409642 175277052 /nfs/dbraw/zinc/27/70/52/175277052.db2.gz QZMGQWNJVIMGHM-LLVKDONJSA-N 1 0 220.272 1.386 50 0 BDAARO COc1cccc(NC2CC[NH2+]CC2)c1 ZINC000004245546 175277870 /nfs/dbraw/zinc/27/78/70/175277870.db2.gz TWBBGXRQAIQTFK-UHFFFAOYSA-N 1 0 206.289 1.859 50 0 BDAARO COc1cccc([C@H](O)C2CC[NH2+]CC2)c1 ZINC000019674947 175295077 /nfs/dbraw/zinc/29/50/77/175295077.db2.gz XILQNTZEDHMQDT-CYBMUJFWSA-N 1 0 221.300 1.728 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000000200169 175327185 /nfs/dbraw/zinc/32/71/85/175327185.db2.gz UKZUGRRNIWAJGO-GFCCVEGCSA-N 1 0 221.300 1.652 50 0 BDAARO COc1ccccc1[C@H](O)C[NH2+]C(C)C ZINC000012359667 175354515 /nfs/dbraw/zinc/35/45/15/175354515.db2.gz RLJUZSQHQRIUSG-LLVKDONJSA-N 1 0 209.289 1.727 50 0 BDAARO C[C@@H]([NH3+])[C@@H](O)c1c(F)cccc1Cl ZINC000020216928 175809756 /nfs/dbraw/zinc/80/97/56/175809756.db2.gz YUONVKUIXPCNAA-MLUIRONXSA-N 1 0 203.644 1.860 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000248837640 176051323 /nfs/dbraw/zinc/05/13/23/176051323.db2.gz OFMIVYPOMNICHY-AGIUHOORSA-N 1 0 240.391 1.731 50 0 BDAARO C[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000019410144 176066654 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/nfs/dbraw/zinc/29/57/43/176295743.db2.gz KRUHEESWMWOJQO-SECBINFHSA-N 1 0 229.274 1.929 50 0 BDAARO C[C@@H]([NH3+])[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(F)(F)F ZINC000238855899 176318221 /nfs/dbraw/zinc/31/82/21/176318221.db2.gz TZMCARCFSUVHAG-FNCVBFRFSA-N 1 0 240.269 1.374 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226341990 176385714 /nfs/dbraw/zinc/38/57/14/176385714.db2.gz XYOHEPPCIUBUHN-ZNSHCXBVSA-N 1 0 210.321 1.228 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043937685 176386356 /nfs/dbraw/zinc/38/63/56/176386356.db2.gz VSPSYRHBGGJCKH-SKDRFNHKSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cccs1 ZINC000134818053 176833887 /nfs/dbraw/zinc/83/38/87/176833887.db2.gz MBCJRXHKEAZTAM-QMMMGPOBSA-N 1 0 226.345 1.910 50 0 BDAARO C[C@H](O)C[NH2+]CCCOc1ccccc1F ZINC000002881463 176988719 /nfs/dbraw/zinc/98/87/19/176988719.db2.gz UYJPZHWSGCRPKJ-JTQLQIEISA-N 1 0 227.279 1.565 50 0 BDAARO C[C@H]1CC([NH2+]CC[S@](C)=O)C[C@H](C)C1 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ZINC000095743037 177324608 /nfs/dbraw/zinc/32/46/08/177324608.db2.gz SPAFVSZOQQYHLU-IUCAKERBSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)C[C@@H]1C ZINC000251551680 177334974 /nfs/dbraw/zinc/33/49/74/177334974.db2.gz BAKPVAVNBBJVPQ-RHYQMDGZSA-N 1 0 245.388 1.588 50 0 BDAARO C[C@H]1N(O)C(C)(C)C(c2ccc(F)cc2)[N+]1=O ZINC000000201492 177392685 /nfs/dbraw/zinc/39/26/85/177392685.db2.gz JXMOARQKBCWQAI-MRVPVSSYSA-N 1 0 238.262 1.955 50 0 BDAARO CC1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)CO1 ZINC000396534148 262805522 /nfs/dbraw/zinc/80/55/22/262805522.db2.gz LTYVQCAKNGNYKC-LBPRGKRZSA-N 1 0 248.326 1.443 50 0 BDAARO Cc1ccc(C[NH3+])c(O[C@H]2CCOC2)c1 ZINC000075353318 487826637 /nfs/dbraw/zinc/82/66/37/487826637.db2.gz IMQLXVLZHXSWBM-NSHDSACASA-N 1 0 207.273 1.621 50 0 BDAARO O=C(NNc1cc[nH+]cc1)c1ccccc1 ZINC000180470639 487911669 /nfs/dbraw/zinc/91/16/69/487911669.db2.gz WCNHAPDWKDEQLR-UHFFFAOYSA-N 1 0 213.240 1.839 50 0 BDAARO COCCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000083862712 487953196 /nfs/dbraw/zinc/95/31/96/487953196.db2.gz NVDXNWFRYXGIMX-NSHDSACASA-N 1 0 231.336 1.577 50 0 BDAARO C[NH+]1CCC(NC(=O)[C@H]2CC2(C)C)CC1 ZINC000152124258 323128772 /nfs/dbraw/zinc/12/87/72/323128772.db2.gz SOGHILRGBDOWJJ-SNVBAGLBSA-N 1 0 210.321 1.243 50 0 BDAARO CCCS(=O)(=O)N[C@@H](C)c1nc(C)c[nH]1 ZINC000534574491 323153765 /nfs/dbraw/zinc/15/37/65/323153765.db2.gz LLYUBTHKCATOIX-QMMMGPOBSA-N 1 0 231.321 1.109 50 0 BDAARO CN(C/C=C/c1ccccc1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000534588347 323154238 /nfs/dbraw/zinc/15/42/38/323154238.db2.gz PVTYTVDCYYNJGG-VIIAAUOXSA-N 1 0 242.322 1.686 50 0 BDAARO CC(C)[C@@H]([NH2+]C1CCOCC1)c1ncnn1C ZINC000534634865 323156798 /nfs/dbraw/zinc/15/67/98/323156798.db2.gz UEPUTNRXOHPHNF-LLVKDONJSA-N 1 0 238.335 1.281 50 0 BDAARO CCCc1nc(N2CCC(C[NH2+]C)CC2)no1 ZINC000534668926 323158721 /nfs/dbraw/zinc/15/87/21/323158721.db2.gz QKLYMUWVNWDRLT-UHFFFAOYSA-N 1 0 238.335 1.458 50 0 BDAARO O=C(C[C@@H]1CC1(F)F)NCC1CC[NH2+]CC1 ZINC000534675626 323159861 /nfs/dbraw/zinc/15/98/61/323159861.db2.gz ZSTQVCBQQGSWFS-SECBINFHSA-N 1 0 232.274 1.148 50 0 BDAARO CCCc1cnc(N2CC[C@@H](C[NH3+])C2)nc1 ZINC000259411514 323172518 /nfs/dbraw/zinc/17/25/18/323172518.db2.gz WEILSDAOFMZORZ-JTQLQIEISA-N 1 0 220.320 1.214 50 0 BDAARO COC[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000083904126 487963904 /nfs/dbraw/zinc/96/39/04/487963904.db2.gz QRNRISOFCZSDLX-ZDUSSCGKSA-N 1 0 248.326 1.396 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CC[NH2+]C[C@H]1C ZINC000254990893 325782484 /nfs/dbraw/zinc/78/24/84/325782484.db2.gz LHBWRYPAVILGFU-MEJMFZKBSA-N 1 0 244.338 1.829 50 0 BDAARO CC[C@@H](Nc1cc(C)[nH+]c(N)n1)c1nc(C)no1 ZINC000091474355 488054840 /nfs/dbraw/zinc/05/48/40/488054840.db2.gz METYIJMBOOHHKW-MRVPVSSYSA-N 1 0 248.290 1.622 50 0 BDAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC1 ZINC000248147750 488084761 /nfs/dbraw/zinc/08/47/61/488084761.db2.gz SLQPWQCNZATHKA-QWHCGFSZSA-N 1 0 236.359 1.872 50 0 BDAARO c1nc(-c2ccc(C[NH2+][C@@H]3CCOC3)cc2)no1 ZINC000670448987 487499101 /nfs/dbraw/zinc/49/91/01/487499101.db2.gz HYDUIRJBOWCNAF-GFCCVEGCSA-N 1 0 245.282 1.615 50 0 BDAARO Cc1[nH]nc2c1C[N@H+]([C@H](C)CC(C)(C)O)CC2 ZINC000670460075 487512910 /nfs/dbraw/zinc/51/29/10/487512910.db2.gz FWTFPDRGQFRVAZ-SECBINFHSA-N 1 0 237.347 1.626 50 0 BDAARO CC(C)CC1(CNC(=O)[C@@H]([NH3+])[C@@H](C)O)CCC1 ZINC000670457660 487510719 /nfs/dbraw/zinc/51/07/19/487510719.db2.gz WOXPSSJGOIMIKG-MNOVXSKESA-N 1 0 242.363 1.027 50 0 BDAARO C[C@@H]([NH2+]CCC(N)=O)c1cccc(Cl)c1 ZINC000032514515 488147550 /nfs/dbraw/zinc/14/75/50/488147550.db2.gz VSZJXXWIQRUOHN-MRVPVSSYSA-N 1 0 226.707 1.866 50 0 BDAARO [NH3+][C@@H]1CCC[C@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000085375931 488165535 /nfs/dbraw/zinc/16/55/35/488165535.db2.gz OMROCZVTPZWVMR-CHWSQXEVSA-N 1 0 236.359 1.762 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1 ZINC000000020230 491083724 /nfs/dbraw/zinc/08/37/24/491083724.db2.gz NDAUXUAQIAJITI-GFCCVEGCSA-N 1 0 239.315 1.306 50 0 fda BDAARO c1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccn1 ZINC000089884951 491121264 /nfs/dbraw/zinc/12/12/64/491121264.db2.gz QNFLCNBKWZBXMF-CYBMUJFWSA-N 1 0 218.300 1.694 50 0 BDAARO CC1(C)C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC000335596288 491124552 /nfs/dbraw/zinc/12/45/52/491124552.db2.gz ILYXTKFQWKVURI-SECBINFHSA-N 1 0 219.275 1.734 50 0 BDAARO CC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244692000 521036339 /nfs/dbraw/zinc/03/63/39/521036339.db2.gz JMSWIFCOVXSVSY-TXEJJXNPSA-N 1 0 246.358 1.918 50 0 BDAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000155915095 521113971 /nfs/dbraw/zinc/11/39/71/521113971.db2.gz GWYHGMXRVCSETJ-VXGBXAGGSA-N 1 0 241.331 1.441 50 0 BDAARO CC[C@H](CO)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000253407930 522210924 /nfs/dbraw/zinc/21/09/24/522210924.db2.gz OWJZNASWOHTXDV-VXGBXAGGSA-N 1 0 242.363 1.138 50 0 BDAARO CC[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000241338562 522221818 /nfs/dbraw/zinc/22/18/18/522221818.db2.gz MBUSPRHNIMYAHO-WISYIIOYSA-N 1 0 242.363 1.135 50 0 BDAARO COC[C@H](O)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000253369558 522780853 /nfs/dbraw/zinc/78/08/53/522780853.db2.gz DYPQZHXMTADLTL-FDYHWXHSSA-N 1 0 229.364 1.798 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC000247832796 522783700 /nfs/dbraw/zinc/78/37/00/522783700.db2.gz IADSUFVQROEZEH-AXFHLTTASA-N 1 0 233.377 1.210 50 0 BDAARO C[C@@H](CC(=O)N1CCC[C@@H]([NH3+])C1)c1ccncc1 ZINC000158515857 524351319 /nfs/dbraw/zinc/35/13/19/524351319.db2.gz TZFBHEHMVJCFOR-WCQYABFASA-N 1 0 247.342 1.525 50 0 BDAARO Cc1ccccc1C1(C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000299740414 525074821 /nfs/dbraw/zinc/07/48/21/525074821.db2.gz ZLNITAIFIDYFFS-GFCCVEGCSA-N 1 0 244.338 1.586 50 0 BDAARO CC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000049812948 534889672 /nfs/dbraw/zinc/88/96/72/534889672.db2.gz OZUAYVYYMFVLEW-UHFFFAOYSA-N 1 0 204.273 1.299 50 0 BDAARO C[C@@]12C[NH2+]C[C@@H]1COC(=O)N2Cc1ccccc1 ZINC000407947219 525916359 /nfs/dbraw/zinc/91/63/59/525916359.db2.gz DBECMDFGGFMQBP-TZMCWYRMSA-N 1 0 246.310 1.617 50 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Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CCC[C@@H]1N ZINC000757213064 586439588 /nfs/dbraw/zinc/43/95/88/586439588.db2.gz NPBPLGPEEMOYOP-GXFFZTMASA-N 1 0 230.315 1.623 50 0 BDAARO C=CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000863971481 589330614 /nfs/dbraw/zinc/33/06/14/589330614.db2.gz VCGJISYCQXHBSO-TZMCWYRMSA-N 1 0 230.311 1.734 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000071372323 592266136 /nfs/dbraw/zinc/26/61/36/592266136.db2.gz LKKXFOJWYTZUTH-DGCLKSJQSA-N 1 0 220.316 1.235 50 0 BDAARO C[C@]1(CO)CCC[N@@H+]1Cc1ccccn1 ZINC000097135283 631299106 /nfs/dbraw/zinc/29/91/06/631299106.db2.gz MVSIOZRXDBAUAT-GFCCVEGCSA-N 1 0 206.289 1.428 50 0 BDAARO FC(F)(F)[C@H]1CC[C@H](C2CC[NH2+]CC2)CN1 ZINC000309326225 632008641 /nfs/dbraw/zinc/00/86/41/632008641.db2.gz RJJCPNKPXDBUBE-VHSXEESVSA-N 1 0 236.281 1.917 50 0 BDAARO CC(C)c1ncc(CN2CC[NH2+]C[C@@H]2C)cn1 ZINC000426517527 635727408 /nfs/dbraw/zinc/72/74/08/635727408.db2.gz CIYVRFDHTGAKFZ-NSHDSACASA-N 1 0 234.347 1.394 50 0 BDAARO Cc1cc(CN2CC(C)(C)[NH2+]C(C)(C)C2)on1 ZINC000888096126 635374286 /nfs/dbraw/zinc/37/42/86/635374286.db2.gz USCPHLMPHKJJJJ-UHFFFAOYSA-N 1 0 237.347 1.945 50 0 BDAARO C[NH2+][C@H]1CCN(C[C@@](C)(O)c2ccccc2)C1 ZINC000129039764 638045628 /nfs/dbraw/zinc/04/56/28/638045628.db2.gz VZKHNXIUHACLMP-UONOGXRCSA-N 1 0 234.343 1.188 50 0 BDAARO CN(C)c1ncccc1C[NH2+]C[C@@H]1CCOC1 ZINC000020205346 643058690 /nfs/dbraw/zinc/05/86/90/643058690.db2.gz QZDVBMZNXPGZGJ-NSHDSACASA-N 1 0 235.331 1.274 50 0 BDAARO CC[C@@H](Cn1ccnc1)[NH2+]Cc1ncnn1CC ZINC000952977157 644448353 /nfs/dbraw/zinc/44/83/53/644448353.db2.gz WVNMMEKJFXREEG-NSHDSACASA-N 1 0 248.334 1.063 50 0 BDAARO c1ccc(CN2CCOC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986098 644448790 /nfs/dbraw/zinc/44/87/90/644448790.db2.gz HSZFXCXOHYWGQJ-CABCVRRESA-N 1 0 246.354 1.497 50 0 BDAARO CC(C)(C)[C@H]([NH3+])C1(O)CCSCC1 ZINC000958527815 644805990 /nfs/dbraw/zinc/80/59/90/644805990.db2.gz FCPJAHZMSLJOSP-QMMMGPOBSA-N 1 0 203.351 1.618 50 0 BDAARO CC(C)(C)[C@H]([NH3+])[C@]1(O)CCCSC1 ZINC000958528099 644806136 /nfs/dbraw/zinc/80/61/36/644806136.db2.gz JLMOTGUMWHNTMY-WPRPVWTQSA-N 1 0 203.351 1.618 50 0 BDAARO Cc1nc2c(c(NC3CC=CC3)n1)CC[NH2+]CC2 ZINC000072430542 711135818 /nfs/dbraw/zinc/13/58/18/711135818.db2.gz DYXWXQWLKNLIAB-UHFFFAOYSA-N 1 0 244.342 1.604 50 0 BDAARO C[NH2+][C@@H]1CCCN(Cc2cc(OC)ns2)C1 ZINC000399063651 711419927 /nfs/dbraw/zinc/41/99/27/711419927.db2.gz PJNRCWMDNWFWQH-SECBINFHSA-N 1 0 241.360 1.336 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)[C@H]([NH3+])CN1 ZINC000757213818 712583112 /nfs/dbraw/zinc/58/31/12/712583112.db2.gz RBCUFBRFENJLTC-BHYNMZESSA-N 1 0 244.342 1.869 50 0 BDAARO COCC1CC[NH+](CCc2nccn2C)CC1 ZINC000824372292 968595379 /nfs/dbraw/zinc/59/53/79/968595379.db2.gz VMXMGDZDEXNMIA-UHFFFAOYSA-N 1 0 237.347 1.321 50 0 BDAARO Cc1cnnc(N2CC[NH+](C(C)C)CC2)c1 ZINC000585133142 961860726 /nfs/dbraw/zinc/86/07/26/961860726.db2.gz WUHPHQBNGOMNCS-UHFFFAOYSA-N 1 0 220.320 1.315 50 0 BDAARO CC(C)(O)[C@H]1CC[N@H+](CC2(C)CCOCC2)C1 ZINC000822307013 968515589 /nfs/dbraw/zinc/51/55/89/968515589.db2.gz IEGLHFSYARVKFZ-LBPRGKRZSA-N 1 0 241.375 1.896 50 0 BDAARO COc1nc(N[C@@H]2CCC[N@H+](C)C2)ncc1F ZINC000824845401 968627225 /nfs/dbraw/zinc/62/72/25/968627225.db2.gz DLMPHCJHDXKZDG-MRVPVSSYSA-N 1 0 240.282 1.130 50 0 BDAARO Cc1csc(OC[C@H]2CCC[N@H+]2C)n1 ZINC000585651261 973921204 /nfs/dbraw/zinc/92/12/04/973921204.db2.gz BUZGJCXLSWMWSV-SECBINFHSA-N 1 0 212.318 1.925 50 0 BDAARO C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000585654644 973927155 /nfs/dbraw/zinc/92/71/55/973927155.db2.gz KECWIVJZAOUDOJ-SECBINFHSA-N 1 0 212.680 1.818 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000585654649 973928099 /nfs/dbraw/zinc/92/80/99/973928099.db2.gz KECWIVJZAOUDOJ-VIFPVBQESA-N 1 0 212.680 1.818 50 0 BDAARO CC[C@@H](C(=O)N(C)C1(COC)CC1)[N@H+](C)CC ZINC000952870075 974049368 /nfs/dbraw/zinc/04/93/68/974049368.db2.gz RKZUYOVVTLYDGF-NSHDSACASA-N 1 0 242.363 1.354 50 0 BDAARO CNc1ccccc1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000952876665 974054197 /nfs/dbraw/zinc/05/41/97/974054197.db2.gz DJDORKCBMCTUDH-GFCCVEGCSA-N 1 0 247.342 1.343 50 0 BDAARO C=CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000952888343 974068291 /nfs/dbraw/zinc/06/82/91/974068291.db2.gz VXAIHIPQUQLGFM-GHMZBOCLSA-N 1 0 210.321 1.504 50 0 BDAARO [NH3+][C@H]1CCCN(C2CSCCSC2)C1 ZINC000238677252 983183438 /nfs/dbraw/zinc/18/34/38/983183438.db2.gz OHGKAYHTVKZZGJ-VIFPVBQESA-N 1 0 232.418 1.258 50 0 BDAARO [NH3+]CC[C@@H]1CN(CCCC(F)(F)F)CCO1 ZINC000687747138 985377481 /nfs/dbraw/zinc/37/74/81/985377481.db2.gz VLHNJBQQKMSQEU-SECBINFHSA-N 1 0 240.269 1.379 50 0 BDAARO CCc1nccn1C[C@H](C)[NH2+]CCc1c[nH]cn1 ZINC001506422723 988779579 /nfs/dbraw/zinc/77/95/79/988779579.db2.gz SOPBJDGMTUCION-NSHDSACASA-N 1 0 247.346 1.389 50 0 BDAARO CC[C@H]1CN(c2ccncc2F)CC[N@@H+]1C ZINC001506414392 988779928 /nfs/dbraw/zinc/77/99/28/988779928.db2.gz PJUMRLCPINZQMT-JTQLQIEISA-N 1 0 223.295 1.751 50 0 BDAARO C[N@H+](CCNC(=O)c1cc(C2CC2)n[nH]1)C1CC1 ZINC000065457537 136210769 /nfs/dbraw/zinc/21/07/69/136210769.db2.gz BXXDRKLQFLYZGJ-UHFFFAOYSA-N 1 0 248.330 1.111 50 0 BDAARO c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc1 ZINC000072109527 398177632 /nfs/dbraw/zinc/17/76/32/398177632.db2.gz JVKNKFDGLBRQPB-KBPBESRZSA-N 1 0 216.328 1.870 50 0 BDAARO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)[nH]n1 ZINC000090529430 178057573 /nfs/dbraw/zinc/05/75/73/178057573.db2.gz HCVCJFSESCPAAG-ONGXEEELSA-N 1 0 247.346 1.733 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+][C@@H]2C(C)(C)C1 ZINC000261507504 398208885 /nfs/dbraw/zinc/20/88/85/398208885.db2.gz JHFGTUJMJRBKRC-UWVGGRQHSA-N 1 0 240.347 1.851 50 0 BDAARO Cc1cc2nc(C)cc(NCCC[NH+](C)C)n2n1 ZINC000072419005 178160144 /nfs/dbraw/zinc/16/01/44/178160144.db2.gz SRRQNKPDFNPTHH-UHFFFAOYSA-N 1 0 247.346 1.710 50 0 BDAARO Cn1nncc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000335630761 398219708 /nfs/dbraw/zinc/21/97/08/398219708.db2.gz HRZWRDSVXRZXKP-NXEZZACHSA-N 1 0 212.272 1.185 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000158076625 178353070 /nfs/dbraw/zinc/35/30/70/178353070.db2.gz XVGJEZJYVSFNMN-VFNNOXKTSA-N 1 0 244.338 1.958 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])n1C ZINC000070176121 178387276 /nfs/dbraw/zinc/38/72/76/178387276.db2.gz RUUWUGZSRDDLGI-ZWNOBZJWSA-N 1 0 249.358 1.533 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cn1 ZINC000111364238 178388180 /nfs/dbraw/zinc/38/81/80/178388180.db2.gz QUCQZCCVPWFYKL-ZDUSSCGKSA-N 1 0 247.342 1.734 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])c(F)c1 ZINC000094925431 178391008 /nfs/dbraw/zinc/39/10/08/178391008.db2.gz SKKPYCZPKPUDBE-JTQLQIEISA-N 1 0 236.290 1.697 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000082651930 178393084 /nfs/dbraw/zinc/39/30/84/178393084.db2.gz QFVHLDVSWGYKHS-UHFFFAOYSA-N 1 0 222.263 1.180 50 0 BDAARO C[NH+](C)CCCNC(=S)NC1CCCCC1 ZINC000002268691 398270811 /nfs/dbraw/zinc/27/08/11/398270811.db2.gz OFUPGZRWOPEKPX-UHFFFAOYSA-N 1 0 243.420 1.735 50 0 BDAARO O=S(=O)(Nc1ccncc1)c1ccccc1 ZINC000000029664 342669922 /nfs/dbraw/zinc/66/99/22/342669922.db2.gz SXYATQLMZOZEFK-UHFFFAOYSA-N 1 0 234.280 1.882 50 0 BDAARO Cc1cc(C)n(C[C@H](O)C[NH2+]Cc2ccco2)n1 ZINC000000812235 342693141 /nfs/dbraw/zinc/69/31/41/342693141.db2.gz BBKQXYSANRUXJD-GFCCVEGCSA-N 1 0 249.314 1.244 50 0 BDAARO COCC1(C[NH2+][C@H](C)Cn2ccnc2C)CC1 ZINC000584901229 342713614 /nfs/dbraw/zinc/71/36/14/342713614.db2.gz BZLLTQGWLFUVNJ-LLVKDONJSA-N 1 0 237.347 1.596 50 0 BDAARO O=C1CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000002083329 342715903 /nfs/dbraw/zinc/71/59/03/342715903.db2.gz ZSBXGIUJOOQZMP-JLNYLFASSA-N 1 0 248.370 1.872 50 0 biogenic,in-vitro BDAARO C[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000004127212 342743186 /nfs/dbraw/zinc/74/31/86/342743186.db2.gz GZFGJIVCLXLOOJ-UHFFFAOYSA-N 1 0 224.329 1.572 50 0 BDAARO O=C1CCC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000004196454 342743602 /nfs/dbraw/zinc/74/36/02/342743602.db2.gz ZSBXGIUJOOQZMP-RMRHIDDWSA-N 1 0 248.370 1.872 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000004203029 342744110 /nfs/dbraw/zinc/74/41/10/342744110.db2.gz FYUVLZRRIRGSTE-DTORHVGOSA-N 1 0 212.293 1.073 50 0 BDAARO COc1cc(C[NH3+])ccc1OC(F)F ZINC000004206993 342744337 /nfs/dbraw/zinc/74/43/37/342744337.db2.gz ZWAKVWRYSDUYIZ-UHFFFAOYSA-N 1 0 203.188 1.755 50 0 BDAARO CN(C)c1ccc(-c2[nH][nH]c(=O)c2CC[NH3+])cc1 ZINC000004235053 342744979 /nfs/dbraw/zinc/74/49/79/342744979.db2.gz WSFRIARZMZWOFB-UHFFFAOYSA-N 1 0 246.314 1.350 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(C)cc1C ZINC000004499456 342748371 /nfs/dbraw/zinc/74/83/71/342748371.db2.gz DVOQYEQMVYMSJH-LLVKDONJSA-N 1 0 207.273 1.866 50 0 BDAARO c1cnn(CCC[NH2+]CCCn2cccn2)c1 ZINC000005055050 342757130 /nfs/dbraw/zinc/75/71/30/342757130.db2.gz SIUVWIREBIQNCI-UHFFFAOYSA-N 1 0 233.319 1.150 50 0 BDAARO O=C1CC/[N+](=C\c2ccccc2Cl)N1 ZINC000005277854 342761264 /nfs/dbraw/zinc/76/12/64/342761264.db2.gz ASFHFVPOPIEDAV-NTUHNPAUSA-O 1 0 209.656 1.206 50 0 BDAARO Cn1cc(OCc2ccccc2)c(=O)cc1C[NH3+] ZINC000084968979 398286836 /nfs/dbraw/zinc/28/68/36/398286836.db2.gz NBKRGGUCKYZORI-UHFFFAOYSA-N 1 0 244.294 1.423 50 0 BDAARO COc1cc(C[NH+](C)C)cc(C=O)c1O ZINC000006678092 342780960 /nfs/dbraw/zinc/78/09/60/342780960.db2.gz IHWQMFVSZOJWES-UHFFFAOYSA-N 1 0 209.245 1.275 50 0 BDAARO CCCC[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000029118069 342790157 /nfs/dbraw/zinc/79/01/57/342790157.db2.gz PGPBEDCNQQEDML-GFCCVEGCSA-N 1 0 220.316 1.945 50 0 BDAARO Cc1ccc(NS(=O)(=O)CC[NH3+])cc1C ZINC000011570251 342841574 /nfs/dbraw/zinc/84/15/74/342841574.db2.gz QTTXNRIVQUFGGF-UHFFFAOYSA-N 1 0 228.317 1.004 50 0 BDAARO CC(=O)NCc1ccccc1-n1ccnc1C ZINC000033359598 398302539 /nfs/dbraw/zinc/30/25/39/398302539.db2.gz JCMMNKDJJOTKKB-UHFFFAOYSA-N 1 0 229.283 1.817 50 0 BDAARO CO[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063710939 398308814 /nfs/dbraw/zinc/30/88/14/398308814.db2.gz OXFSHDDBIXOQGC-NWDGAFQWSA-N 1 0 242.363 1.258 50 0 BDAARO CO[C@H]1CC[N@H+](Cc2sc(C)nc2C)C1 ZINC000336342989 398318264 /nfs/dbraw/zinc/31/82/64/398318264.db2.gz VTQJWDLOFMGFAL-JTQLQIEISA-N 1 0 226.345 1.981 50 0 BDAARO COC(=O)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000014631945 342883321 /nfs/dbraw/zinc/88/33/21/342883321.db2.gz JCADYMYCVRQBHL-UHFFFAOYSA-N 1 0 249.310 1.533 50 0 BDAARO C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000018179163 342933447 /nfs/dbraw/zinc/93/34/47/342933447.db2.gz DYJNPSFTIQYAIF-UHFFFAOYSA-N 1 0 233.315 1.902 50 0 BDAARO Nc1cc(N)[nH+]c(SCc2ccncc2)n1 ZINC000000496200 346881198 /nfs/dbraw/zinc/88/11/98/346881198.db2.gz AQSNBLANINFPFI-UHFFFAOYSA-N 1 0 233.300 1.328 50 0 BDAARO CC[NH+]1CCN(Cc2ccccc2OC)CC1 ZINC000019537144 342951499 /nfs/dbraw/zinc/95/14/99/342951499.db2.gz XNJLANMBXJZIEH-UHFFFAOYSA-N 1 0 234.343 1.833 50 0 BDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000019772549 342957056 /nfs/dbraw/zinc/95/70/56/342957056.db2.gz HVJCMONMOFLUPG-LLVKDONJSA-N 1 0 243.303 1.102 50 0 BDAARO O=C(c1cc2ccccc2o1)N1CC[NH2+]CC1 ZINC000019802888 342958546 /nfs/dbraw/zinc/95/85/46/342958546.db2.gz WJVXIKZHQABTJB-UHFFFAOYSA-N 1 0 230.267 1.478 50 0 BDAARO CCc1ccccc1NC(=O)CN1CC[NH2+]CC1 ZINC000019976722 342965460 /nfs/dbraw/zinc/96/54/60/342965460.db2.gz UPAZJBWZWGMLTL-UHFFFAOYSA-N 1 0 247.342 1.093 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948536 342989972 /nfs/dbraw/zinc/98/99/72/342989972.db2.gz RZZMOAWLZHJQET-XYTAGDGMSA-N 1 0 236.359 1.774 50 0 BDAARO Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020596048 342992128 /nfs/dbraw/zinc/99/21/28/342992128.db2.gz PCEMWNOPCGJGPF-CYBMUJFWSA-N 1 0 242.326 1.912 50 0 BDAARO CC(C)c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000020281371 342980179 /nfs/dbraw/zinc/98/01/79/342980179.db2.gz HYPVDIPJTCMUGG-UHFFFAOYSA-N 1 0 232.327 1.855 50 0 BDAARO [NH3+][C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000020457747 342985677 /nfs/dbraw/zinc/98/56/77/342985677.db2.gz NMGICMVQPPCKCW-GFCCVEGCSA-N 1 0 208.280 1.749 50 0 BDAARO CCCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000069846292 342994341 /nfs/dbraw/zinc/99/43/41/342994341.db2.gz WFTIBHAKOAZLLN-GFCCVEGCSA-N 1 0 239.363 1.570 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000022012919 343035119 /nfs/dbraw/zinc/03/51/19/343035119.db2.gz YSMPURKYECKBKX-MRVPVSSYSA-N 1 0 231.221 1.638 50 0 BDAARO Fc1cccc(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000025336397 343089445 /nfs/dbraw/zinc/08/94/45/343089445.db2.gz UQWCTORHRVKVAN-UHFFFAOYSA-N 1 0 217.247 1.862 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000026898258 343110710 /nfs/dbraw/zinc/11/07/10/343110710.db2.gz LBAIYWWWORXVEQ-UHFFFAOYSA-N 1 0 214.309 1.605 50 0 BDAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C[NH3+] ZINC000237530912 136272239 /nfs/dbraw/zinc/27/22/39/136272239.db2.gz MBSGPBMSGZVDSU-JTNHKYCSSA-N 1 0 248.326 1.322 50 0 BDAARO O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000034103768 343264591 /nfs/dbraw/zinc/26/45/91/343264591.db2.gz IJYPYUPBGKMAPY-SNVBAGLBSA-N 1 0 245.731 1.476 50 0 BDAARO CC(C)(C)OC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000034480881 343271884 /nfs/dbraw/zinc/27/18/84/343271884.db2.gz DIQWSFWWYVRXRO-SNVBAGLBSA-N 1 0 200.282 1.263 50 0 BDAARO CCC1=N[C@H](NC(N)=[NH2+])Nc2cc(C)ccc21 ZINC000023114634 343272387 /nfs/dbraw/zinc/27/23/87/343272387.db2.gz ZHIAZMPRMACNGC-LBPRGKRZSA-N 1 0 231.303 1.386 50 0 BDAARO O=C(CCCc1ccccc1)N1CC[NH2+]CC1 ZINC000034940600 343281506 /nfs/dbraw/zinc/28/15/06/343281506.db2.gz SPXDRRAPPNTVJZ-UHFFFAOYSA-N 1 0 232.327 1.441 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000037083409 343332999 /nfs/dbraw/zinc/33/29/99/343332999.db2.gz YQYBCJAUKBYARM-NWDGAFQWSA-N 1 0 224.348 1.920 50 0 BDAARO Cc1ccc(C2(O)CC[NH2+]CC2)cc1C ZINC000041214045 178512578 /nfs/dbraw/zinc/51/25/78/178512578.db2.gz ZEOGHLHCUUJEND-UHFFFAOYSA-N 1 0 205.301 1.874 50 0 BDAARO COc1cc(C[NH3+])ccc1OCC(F)F ZINC000037996348 343364640 /nfs/dbraw/zinc/36/46/40/343364640.db2.gz ZTJLXUVUKFXZRA-UHFFFAOYSA-N 1 0 217.215 1.798 50 0 BDAARO Fc1ccc(OC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000038580867 343377126 /nfs/dbraw/zinc/37/71/26/343377126.db2.gz MWLZGIOWYUHGOR-MRVPVSSYSA-N 1 0 213.227 1.953 50 0 BDAARO [NH3+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000037242400 343340741 /nfs/dbraw/zinc/34/07/41/343340741.db2.gz YOGNIRLYJFDRBP-QMMMGPOBSA-N 1 0 228.242 1.825 50 0 BDAARO COc1ccc2c(c1)CC[C@H]1[NH2+]CCO[C@H]21 ZINC000037405150 343344718 /nfs/dbraw/zinc/34/47/18/343344718.db2.gz YQSJWXYFWHZSEU-CHWSQXEVSA-N 1 0 219.284 1.671 50 0 BDAARO FC(F)Oc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000037405147 343344824 /nfs/dbraw/zinc/34/48/24/343344824.db2.gz FXDWUZSREAPFCN-SNVBAGLBSA-N 1 0 229.226 1.949 50 0 BDAARO O=C(OC1CC[NH2+]CC1)c1cc(Cl)ccn1 ZINC000042768350 343451149 /nfs/dbraw/zinc/45/11/49/343451149.db2.gz GTGRVTUPUSWYNC-UHFFFAOYSA-N 1 0 240.690 1.644 50 0 BDAARO O=C(O[C@H]1CC[NH2+]C1)C(Cl)(Cl)Cl ZINC000042768691 343451192 /nfs/dbraw/zinc/45/11/92/343451192.db2.gz KWXXKQDOZLOAMV-BYPYZUCNSA-N 1 0 232.494 1.262 50 0 BDAARO [NH3+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044659945 343511577 /nfs/dbraw/zinc/51/15/77/343511577.db2.gz IHBAOXCCDNCTLW-IJLUTSLNSA-N 1 0 216.284 1.102 50 0 BDAARO [NH3+][C@@H](CO)Cc1ccc2ccccc2n1 ZINC000044464166 343501706 /nfs/dbraw/zinc/50/17/06/343501706.db2.gz BRYUBCDFOCHSBZ-SNVBAGLBSA-N 1 0 202.257 1.097 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000047843717 343566421 /nfs/dbraw/zinc/56/64/21/343566421.db2.gz SQEURGTUFUERHD-UWVGGRQHSA-N 1 0 228.336 1.981 50 0 BDAARO CCn1cc(C[NH2+][C@H](C)C(OC)OC)cn1 ZINC000234225170 343709442 /nfs/dbraw/zinc/70/94/42/343709442.db2.gz NMFMJMWXHWCJTE-SECBINFHSA-N 1 0 227.308 1.000 50 0 BDAARO Cc1ccc2c(c1)C(=O)NC1(CC[NH2+]CC1)N2 ZINC000034811771 343915832 /nfs/dbraw/zinc/91/58/32/343915832.db2.gz FPGKEBGZIMXMKG-UHFFFAOYSA-N 1 0 231.299 1.230 50 0 BDAARO O=C(CN1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000036164308 343967743 /nfs/dbraw/zinc/96/77/43/343967743.db2.gz PGRVNUGZORIWJF-UHFFFAOYSA-N 1 0 240.253 1.053 50 0 BDAARO COCC[N@H+](C)[C@@H]1CCC[C@@H]1SC ZINC000078947973 344104368 /nfs/dbraw/zinc/10/43/68/344104368.db2.gz LSAVTPCOLLMQLE-ZJUUUORDSA-N 1 0 203.351 1.849 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(CO)c1 ZINC000585136567 344148724 /nfs/dbraw/zinc/14/87/24/344148724.db2.gz KZLQSDZAYNIHGK-GWCFXTLKSA-N 1 0 248.326 1.049 50 0 BDAARO COc1cc(C(=[NH2+])NO)ccc1-n1cnc(C)c1 ZINC000072233458 344519040 /nfs/dbraw/zinc/51/90/40/344519040.db2.gz HIBXJFZYGJNETC-UHFFFAOYSA-N 1 0 246.270 1.493 50 0 BDAARO C[C@H]([NH3+])[C@@H]1Oc2ccccc2OC1(C)C ZINC000005721739 347082116 /nfs/dbraw/zinc/08/21/16/347082116.db2.gz IQXOOOASMXLSJR-KWQFWETISA-N 1 0 207.273 1.952 50 0 BDAARO NC(=O)c1ccc(C[NH+]2CCCCC2)s1 ZINC000072797081 537904358 /nfs/dbraw/zinc/90/43/58/537904358.db2.gz VJMAODNNAUXAHS-UHFFFAOYSA-N 1 0 224.329 1.833 50 0 BDAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cncc(F)c1 ZINC000183572272 345938648 /nfs/dbraw/zinc/93/86/48/345938648.db2.gz MZBTUQCXBCZXRY-GBIKHYSHSA-N 1 0 236.290 1.808 50 0 BDAARO O=C(C1CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000685939513 537929349 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/nfs/dbraw/zinc/13/10/63/179131063.db2.gz KTTFQHXBDIJXAO-UHFFFAOYSA-N 1 0 234.303 1.168 50 0 BDAARO Cc1cccc(O[C@@H](C)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237657804 179174003 /nfs/dbraw/zinc/17/40/03/179174003.db2.gz YOMGVEKOYDMCAY-RYUDHWBXSA-N 1 0 248.326 1.322 50 0 BDAARO Cc1occc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932085 347208939 /nfs/dbraw/zinc/20/89/39/347208939.db2.gz LCGHQHYUZCHXLG-NSHDSACASA-N 1 0 234.299 1.508 50 0 BDAARO Cc1ccccc1CC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000091496290 179258402 /nfs/dbraw/zinc/25/84/02/179258402.db2.gz KBXZSDVFUSDXGW-GXTWGEPZSA-N 1 0 246.354 1.794 50 0 BDAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(N)=O ZINC000007680796 179269206 /nfs/dbraw/zinc/26/92/06/179269206.db2.gz PKYFCFSMLQNUBO-SNVBAGLBSA-N 1 0 206.289 1.301 50 0 BDAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000000201565 179274868 /nfs/dbraw/zinc/27/48/68/179274868.db2.gz IBVOXLHCLFHMRS-CYBMUJFWSA-N 1 0 205.301 1.952 50 0 BDAARO [NH3+]CCc1ccc(C(=O)N2CC=CC2)cc1 ZINC000309470607 323172129 /nfs/dbraw/zinc/17/21/29/323172129.db2.gz ALJZPQARLCIJRG-UHFFFAOYSA-N 1 0 216.284 1.200 50 0 BDAARO C/C=C1/[C@H]2C=C(C)C[C@]1([NH3+])c1ccc(=O)[nH]c1C2 ZINC000002094254 187391537 /nfs/dbraw/zinc/39/15/37/187391537.db2.gz ZRJBHWIHUMBLCN-SEQYCRGISA-N 1 0 242.322 1.998 50 0 investigational BDAARO O=c1c2ccccc2ncn1[C@H]1CCC[NH2+]C1 ZINC000084252958 348806506 /nfs/dbraw/zinc/80/65/06/348806506.db2.gz UVJBIIMGZSTPCV-JTQLQIEISA-N 1 0 229.283 1.321 50 0 BDAARO CCc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000000285853 187407881 /nfs/dbraw/zinc/40/78/81/187407881.db2.gz OMSWREDBGOSTLF-ZDUSSCGKSA-N 1 0 237.343 1.987 50 0 in-vitro BDAARO OCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421803322 192384461 /nfs/dbraw/zinc/38/44/61/192384461.db2.gz QHSXKIUPFHWMGE-GFCCVEGCSA-N 1 0 220.316 1.301 50 0 BDAARO CCCCNC(=O)NC[C@](C)([NH3+])CC ZINC000725254862 538048618 /nfs/dbraw/zinc/04/86/18/538048618.db2.gz HKAOGQDPZGSQDM-SNVBAGLBSA-N 1 0 201.314 1.213 50 0 BDAARO Cc1nc2cc(NC(N)=[NH2+])ccc2s1 ZINC000031772061 180081083 /nfs/dbraw/zinc/08/10/83/180081083.db2.gz QJLNNSPIQAPYLY-UHFFFAOYSA-N 1 0 206.274 1.910 50 0 BDAARO C[C@@H](C(N)=O)[N@H+](C)CCc1ccc(F)cc1 ZINC000048922221 350164009 /nfs/dbraw/zinc/16/40/09/350164009.db2.gz VPYKMAWSJOOZKS-VIFPVBQESA-N 1 0 224.279 1.174 50 0 BDAARO Cc1ncc(C(=O)NCC[N@@H+](C)C2CC2)s1 ZINC000065462844 180130224 /nfs/dbraw/zinc/13/02/24/180130224.db2.gz HMLSLWUPQBQHNJ-UHFFFAOYSA-N 1 0 239.344 1.276 50 0 BDAARO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)(C)O ZINC000604765624 350185740 /nfs/dbraw/zinc/18/57/40/350185740.db2.gz VJSRBMFWYDUXJW-SECBINFHSA-N 1 0 233.315 1.812 50 0 BDAARO Cc1ncccc1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000097162220 180218956 /nfs/dbraw/zinc/21/89/56/180218956.db2.gz QXCIIZPYKHRBNN-TZMCWYRMSA-N 1 0 234.343 1.983 50 0 BDAARO CC(=O)Nc1ccccc1C[N@@H+](C)C[C@H](C)O ZINC000130806887 191096599 /nfs/dbraw/zinc/09/65/99/191096599.db2.gz WPBWOAQPUBRWDO-JTQLQIEISA-N 1 0 236.315 1.458 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCCOC1 ZINC000038044421 180339813 /nfs/dbraw/zinc/33/98/13/180339813.db2.gz DARJUYOWEZCGEW-GFCCVEGCSA-N 1 0 237.347 1.553 50 0 BDAARO Cc1nn(CCC[NH3+])c(Cl)c1Cl ZINC000002537653 180387627 /nfs/dbraw/zinc/38/76/27/180387627.db2.gz RDYDICZAJAHVMY-UHFFFAOYSA-N 1 0 208.092 1.847 50 0 BDAARO C[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000219858949 490580468 /nfs/dbraw/zinc/58/04/68/490580468.db2.gz IKRARZMUTGSISN-CABZTGNLSA-N 1 0 239.388 1.881 50 0 BDAARO C[C@@H](C[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000013771972 350654362 /nfs/dbraw/zinc/65/43/62/350654362.db2.gz COBNTSYACIFRCW-GXTWGEPZSA-N 1 0 246.354 1.987 50 0 BDAARO CC[NH+](CC)CC(=O)NCc1ccco1 ZINC000041392044 351028114 /nfs/dbraw/zinc/02/81/14/351028114.db2.gz XYQCTEHVCVBARX-UHFFFAOYSA-N 1 0 210.277 1.238 50 0 BDAARO Clc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000019728604 180591749 /nfs/dbraw/zinc/59/17/49/180591749.db2.gz NOLKGPPCQCGBRP-UHFFFAOYSA-N 1 0 240.734 1.624 50 0 BDAARO Clc1cncc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000042783011 180600300 /nfs/dbraw/zinc/60/03/00/180600300.db2.gz CABMUMKPUCLVEL-QMMMGPOBSA-N 1 0 227.695 1.508 50 0 BDAARO CC(C)CC[C@H]1CCCCN1C(=O)C[NH3+] ZINC000122585337 363058351 /nfs/dbraw/zinc/05/83/51/363058351.db2.gz IJKWAVACBPUWTR-LLVKDONJSA-N 1 0 212.337 1.762 50 0 BDAARO COC(=O)CC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000044380999 352298405 /nfs/dbraw/zinc/29/84/05/352298405.db2.gz UEYKKLXMNFDYFW-UHFFFAOYSA-N 1 0 243.253 1.960 50 0 BDAARO Cn1cccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000004389310 180730102 /nfs/dbraw/zinc/73/01/02/180730102.db2.gz QNQGSZYRUQFAMW-QMMMGPOBSA-N 1 0 222.210 1.038 50 0 BDAARO Cn1ccnc1C[C@@H]([NH3+])c1ccccc1 ZINC000020442309 180751195 /nfs/dbraw/zinc/75/11/95/180751195.db2.gz FCQJZGCFXNHCHP-LLVKDONJSA-N 1 0 201.273 1.663 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)nc1 ZINC000044895892 352486101 /nfs/dbraw/zinc/48/61/01/352486101.db2.gz OREMDHASDOVUMH-ZDUSSCGKSA-N 1 0 247.342 1.604 50 0 BDAARO CC1(C)Cc2nc3nc[nH+]c(NN)c3cc2CO1 ZINC000001235347 352981358 /nfs/dbraw/zinc/98/13/58/352981358.db2.gz BLTPULZZEYGLSY-UHFFFAOYSA-N 1 0 245.286 1.162 50 0 BDAARO CC(C)[C@H]([NH2+]Cc1cc[nH]n1)C(C)(C)O ZINC000276625500 188093247 /nfs/dbraw/zinc/09/32/47/188093247.db2.gz MNZGXRQPXISTCM-JTQLQIEISA-N 1 0 211.309 1.295 50 0 BDAARO C1C[NH2+]C[C@H](c2nnc3n2CCCCC3)C1 ZINC000009458293 188103813 /nfs/dbraw/zinc/10/38/13/188103813.db2.gz RMOJOJDSSOTAMN-SNVBAGLBSA-N 1 0 220.320 1.472 50 0 BDAARO CC(C)[NH+]1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008733382 188104307 /nfs/dbraw/zinc/10/43/07/188104307.db2.gz SQIJZWSMTZEZOQ-UHFFFAOYSA-N 1 0 234.347 1.255 50 0 biogenic BDAARO Cc1cc(C)cc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000023291845 188109541 /nfs/dbraw/zinc/10/95/41/188109541.db2.gz VAPDQXRGKIHVHW-UHFFFAOYSA-N 1 0 247.342 1.147 50 0 BDAARO CC(=O)Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782845 188121033 /nfs/dbraw/zinc/12/10/33/188121033.db2.gz KOWKXFGBHYHGDS-ZDUSSCGKSA-N 1 0 234.299 1.776 50 0 BDAARO Cc1ccsc1C(=O)N1CCC(C[NH3+])CC1 ZINC000044512959 188123603 /nfs/dbraw/zinc/12/36/03/188123603.db2.gz CQTFAYSUINHWOW-UHFFFAOYSA-N 1 0 238.356 1.867 50 0 BDAARO CC1(C)[NH2+]CC[C@@H]1NCCNc1cccnc1 ZINC000067725161 188129496 /nfs/dbraw/zinc/12/94/96/188129496.db2.gz KXPYRLJNTZKEHN-LBPRGKRZSA-N 1 0 234.347 1.224 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000092560229 188130190 /nfs/dbraw/zinc/13/01/90/188130190.db2.gz INVSLLICMTXVTR-DGCLKSJQSA-N 1 0 226.364 1.929 50 0 BDAARO CC(C)=CC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000069509137 188130616 /nfs/dbraw/zinc/13/06/16/188130616.db2.gz FKJSFZIRCGMALS-GHMZBOCLSA-N 1 0 210.321 1.538 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC(C[NH3+])C[C@H]2C1 ZINC000076685772 188135574 /nfs/dbraw/zinc/13/55/74/188135574.db2.gz RJVLJEBUNGKANQ-QWRGUYRKSA-N 1 0 240.347 1.838 50 0 BDAARO CC(=O)NCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000193121607 188174414 /nfs/dbraw/zinc/17/44/14/188174414.db2.gz IINRZBZLMMKGAA-PWSUYJOCSA-N 1 0 226.364 1.927 50 0 BDAARO CC(C)[C@@H]1CN(C)CC[N@@H+]1CC1=CCCOC1 ZINC000097139316 188148819 /nfs/dbraw/zinc/14/88/19/188148819.db2.gz QSMDVCGUNQJQRT-AWEZNQCLSA-N 1 0 238.375 1.605 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC000195543021 188176262 /nfs/dbraw/zinc/17/62/62/188176262.db2.gz VIYLABHZSHGBOL-HBNTYKKESA-N 1 0 212.337 1.474 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CC[C@H]1[NH2+]2 ZINC000208325365 188178439 /nfs/dbraw/zinc/17/84/39/188178439.db2.gz KAZCIFZEEFNPOF-AEJSXWLSSA-N 1 0 226.320 1.794 50 0 BDAARO COC(=O)c1ccc(OC(F)(F)F)c(C[NH3+])c1 ZINC000066325573 188185057 /nfs/dbraw/zinc/18/50/57/188185057.db2.gz CRDLSXWMAFDDGH-UHFFFAOYSA-N 1 0 249.188 1.831 50 0 BDAARO C[C@H](CC(=O)Nc1ccccn1)[NH+]1CCCC1 ZINC000001398906 353367969 /nfs/dbraw/zinc/36/79/69/353367969.db2.gz AELNGBFNKLFIAV-LLVKDONJSA-N 1 0 233.315 1.895 50 0 BDAARO Fc1cccc(C[NH2+]CCn2cccn2)c1F ZINC000042540773 180998514 /nfs/dbraw/zinc/99/85/14/180998514.db2.gz WUNVZDYDDLRIEN-UHFFFAOYSA-N 1 0 237.253 1.951 50 0 BDAARO Fc1ccccc1CC[NH2+][C@H]1CCOC1 ZINC000070963724 181012027 /nfs/dbraw/zinc/01/20/27/181012027.db2.gz VPVDPDBKRFQWMX-NSHDSACASA-N 1 0 209.264 1.747 50 0 BDAARO Fc1ccccc1C[NH2+]CCN1CCOCC1 ZINC000019349542 181012766 /nfs/dbraw/zinc/01/27/66/181012766.db2.gz ZVEFYZVIDLTNKH-UHFFFAOYSA-N 1 0 238.306 1.248 50 0 BDAARO NC(=[NH2+])NCCn1ccc2ccccc21 ZINC000000216148 181189992 /nfs/dbraw/zinc/18/99/92/181189992.db2.gz OJJUYBBNSWNKMY-UHFFFAOYSA-N 1 0 202.261 1.124 50 0 BDAARO NC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000034936095 181191578 /nfs/dbraw/zinc/19/15/78/181191578.db2.gz ILLSRWKHIAIJJO-UHFFFAOYSA-N 1 0 207.233 1.153 50 0 BDAARO NC(=[NH2+])c1ccc(OCc2ccncc2)cc1 ZINC000019484524 181195545 /nfs/dbraw/zinc/19/55/45/181195545.db2.gz YVUSMFGKKWFQPU-UHFFFAOYSA-N 1 0 227.267 1.945 50 0 BDAARO [NH2+]=C(NCC(=O)N1CCCC1)Nc1ccccc1 ZINC000057752252 181199210 /nfs/dbraw/zinc/19/92/10/181199210.db2.gz HDGDDWSRJAYVIR-UHFFFAOYSA-N 1 0 246.314 1.245 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1cccc(F)c1 ZINC000035138844 355845045 /nfs/dbraw/zinc/84/50/45/355845045.db2.gz CVTKIOHIGNNRSY-SFYZADRCSA-N 1 0 210.252 1.350 50 0 BDAARO NC(=O)C1CC[NH+](CCc2ccccc2)CC1 ZINC000000757318 181216139 /nfs/dbraw/zinc/21/61/39/181216139.db2.gz UCBQQQVQLFPZOE-UHFFFAOYSA-N 1 0 232.327 1.426 50 0 BDAARO NC(=O)C[NH2+][C@@H](Cc1ccccc1)C1CCCC1 ZINC000096493157 181237149 /nfs/dbraw/zinc/23/71/49/181237149.db2.gz AVIRQAMWJYJNDW-AWEZNQCLSA-N 1 0 246.354 1.863 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000011888385 356367597 /nfs/dbraw/zinc/36/75/97/356367597.db2.gz SBHNECOLJHKHAR-ZDUSSCGKSA-N 1 0 234.343 1.866 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC000097103586 181267648 /nfs/dbraw/zinc/26/76/48/181267648.db2.gz OJBJXYAEKWGPEK-GHMZBOCLSA-N 1 0 210.321 1.420 50 0 BDAARO NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000005934225 181265982 /nfs/dbraw/zinc/26/59/82/181265982.db2.gz LJLMNWPXAYKPGV-RYUDHWBXSA-N 1 0 218.300 1.398 50 0 in-vitro BDAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000183086 181280460 /nfs/dbraw/zinc/28/04/60/181280460.db2.gz VDRFXNXPPJCMJD-NSHDSACASA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000217843 181280479 /nfs/dbraw/zinc/28/04/79/181280479.db2.gz UFXUHZGVNYRFQP-AWEZNQCLSA-N 1 0 246.354 1.817 50 0 BDAARO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000134982110 181280784 /nfs/dbraw/zinc/28/07/84/181280784.db2.gz GIYMRBKWIYQNAF-QWRGUYRKSA-N 1 0 238.356 1.882 50 0 BDAARO CC1(C)CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188392420 357530019 /nfs/dbraw/zinc/53/00/19/357530019.db2.gz GWVGRUBIAAXJKN-VHSXEESVSA-N 1 0 228.311 1.335 50 0 BDAARO Cc1cc(F)ccc1-c1cc(C[NH3+])[nH]n1 ZINC000685948852 538891630 /nfs/dbraw/zinc/89/16/30/538891630.db2.gz DQKCYDQLPNNGTM-UHFFFAOYSA-N 1 0 205.236 1.983 50 0 BDAARO C[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC000016477735 538883833 /nfs/dbraw/zinc/88/38/33/538883833.db2.gz YNGQYKQAJPNLLY-UHFFFAOYSA-N 1 0 203.241 1.821 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035515140 357992038 /nfs/dbraw/zinc/99/20/38/357992038.db2.gz LAXHKLZXVYCQDQ-GJZGRUSLSA-N 1 0 248.370 1.794 50 0 BDAARO CC1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090850537 358128422 /nfs/dbraw/zinc/12/84/22/358128422.db2.gz AHNGMAKFBVWKAH-CMPLNLGQSA-N 1 0 213.321 1.306 50 0 BDAARO Cc1ccc(NC(=O)CSC2=[NH+]CCN2)cc1 ZINC000001994557 359627549 /nfs/dbraw/zinc/62/75/49/359627549.db2.gz CHQVJNYCKRTYRO-UHFFFAOYSA-N 1 0 249.339 1.626 50 0 BDAARO [NH3+][C@@H]1COc2c(Br)cccc2C1 ZINC000016083005 359988557 /nfs/dbraw/zinc/98/85/57/359988557.db2.gz VTWFNZHMJMACOM-ZETCQYMHSA-N 1 0 228.089 1.711 50 0 BDAARO Cc1ccc(OCC[NH+]2CCC(O)CC2)cc1 ZINC000033465483 200653458 /nfs/dbraw/zinc/65/34/58/200653458.db2.gz YRQSRDJZGOKVMO-UHFFFAOYSA-N 1 0 235.327 1.831 50 0 BDAARO [NH3+]CC(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 ZINC000170046678 361384210 /nfs/dbraw/zinc/38/42/10/361384210.db2.gz QIASGZNIAIKFSX-STQMWFEESA-N 1 0 248.326 1.452 50 0 BDAARO [NH3+]CC(=O)N[C@@H]1CCCC[C@H]1Oc1ccccc1 ZINC000170046682 361384351 /nfs/dbraw/zinc/38/43/51/361384351.db2.gz QIASGZNIAIKFSX-CHWSQXEVSA-N 1 0 248.326 1.452 50 0 BDAARO [NH3+]C1CCN(C(=O)NCc2ccccc2)CC1 ZINC000144366954 181343748 /nfs/dbraw/zinc/34/37/48/181343748.db2.gz CNVQVGGWIMPPCP-UHFFFAOYSA-N 1 0 233.315 1.319 50 0 BDAARO [NH3+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000011729465 181344602 /nfs/dbraw/zinc/34/46/02/181344602.db2.gz KRIHULMCWJRKQE-UHFFFAOYSA-N 1 0 208.280 1.749 50 0 BDAARO CC(C)NC(=O)NCC1([NH3+])CCC(C)(C)CC1 ZINC000725254919 541331970 /nfs/dbraw/zinc/33/19/70/541331970.db2.gz KDILATJLMIAIRX-UHFFFAOYSA-N 1 0 241.379 1.992 50 0 BDAARO [NH3+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003298511 181355867 /nfs/dbraw/zinc/35/58/67/181355867.db2.gz DLQHLPLQKQNDCA-UHFFFAOYSA-N 1 0 219.071 1.891 50 0 BDAARO [NH3+]CC1CN(C(=O)OCc2ccccc2)C1 ZINC000019432069 181365622 /nfs/dbraw/zinc/36/56/22/181365622.db2.gz BYCVYBQLKZYFBQ-UHFFFAOYSA-N 1 0 220.272 1.214 50 0 BDAARO [NH3+]CCC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000033465699 181366404 /nfs/dbraw/zinc/36/64/04/181366404.db2.gz LCCOYWXMNQFYNG-UHFFFAOYSA-N 1 0 236.290 1.666 50 0 BDAARO [NH3+]CCCNC(=O)O[C@@H]1CC/C=C/CCC1 ZINC000103690951 181382125 /nfs/dbraw/zinc/38/21/25/181382125.db2.gz MMNVKTBTNQJBEE-FMBMQGQPSA-N 1 0 226.320 1.950 50 0 BDAARO CC[C@@H](C)NC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000057777239 541516734 /nfs/dbraw/zinc/51/67/34/541516734.db2.gz FUUJEQPRDWEWAB-LLVKDONJSA-N 1 0 239.363 1.665 50 0 BDAARO C[NH2+]CCN1CCC(OCc2ccccc2)CC1 ZINC000200482804 368398290 /nfs/dbraw/zinc/39/82/90/368398290.db2.gz HBOJWAYLSJLULG-UHFFFAOYSA-N 1 0 248.370 1.887 50 0 in-vitro BDAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000034104304 368374961 /nfs/dbraw/zinc/37/49/61/368374961.db2.gz FMHMBUYJMBGGPO-DGCLKSJQSA-N 1 0 205.301 1.889 50 0 BDAARO c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000114291963 368386728 /nfs/dbraw/zinc/38/67/28/368386728.db2.gz IGEZHWRGYWYXNS-IAZYJMLFSA-N 1 0 204.273 1.743 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(-c3cncnc3)ccc2O1 ZINC000299780429 181468339 /nfs/dbraw/zinc/46/83/39/181468339.db2.gz CIEFQOYPGCRFFW-GFCCVEGCSA-N 1 0 227.267 1.406 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)c1cc(F)ccc1F ZINC000107915058 181461563 /nfs/dbraw/zinc/46/15/63/181461563.db2.gz WJQGYJZVGZYCOZ-SECBINFHSA-N 1 0 240.253 1.528 50 0 BDAARO C[C@@H]1CCC[N@H+](CCOC(C)(C)C)[C@H]1CO ZINC000110699809 369945121 /nfs/dbraw/zinc/94/51/21/369945121.db2.gz KZYPVBJSAGRHSP-NEPJUHHUSA-N 1 0 229.364 1.894 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH3+])[C@H]1C2 ZINC000307068441 369994632 /nfs/dbraw/zinc/99/46/32/369994632.db2.gz WDLJVXLPYIOWOZ-IWSPIJDZSA-N 1 0 212.293 1.343 50 0 BDAARO Cn1cnc2c1CC[N@H+](CC1CCCC1)C2 ZINC000075133157 370090711 /nfs/dbraw/zinc/09/07/11/370090711.db2.gz IFXAZYIIBDJJSI-UHFFFAOYSA-N 1 0 219.332 1.968 50 0 BDAARO [NH3+][C@H](CC1CCCCC1)[C@@H]1COCCO1 ZINC000161496120 181613106 /nfs/dbraw/zinc/61/31/06/181613106.db2.gz WRUSSQDCGCXMEA-NEPJUHHUSA-N 1 0 213.321 1.700 50 0 BDAARO [NH3+][C@H]1COc2c1cccc2Br ZINC000019875257 181656557 /nfs/dbraw/zinc/65/65/57/181656557.db2.gz PYXLHRQWAAAYSM-ZETCQYMHSA-N 1 0 214.062 1.841 50 0 BDAARO O=C(c1ccccn1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000027932688 371554972 /nfs/dbraw/zinc/55/49/72/371554972.db2.gz PFTZSAUFJAHELL-NSHDSACASA-N 1 0 231.299 1.002 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000606441265 372102009 /nfs/dbraw/zinc/10/20/09/372102009.db2.gz NWZZWBLDDQTWSM-GZTOBOFZSA-N 1 0 234.274 1.399 50 0 BDAARO CC(C)(C)CN1CCC[C@]2(CC[NH2+]C2)C1=O ZINC000072152709 166582601 /nfs/dbraw/zinc/58/26/01/166582601.db2.gz QCVJFCWSLBWABF-CYBMUJFWSA-N 1 0 224.348 1.635 50 0 BDAARO Cc1ccc(C[NH2+][C@@H](C)Cn2cncn2)o1 ZINC000067504957 372801673 /nfs/dbraw/zinc/80/16/73/372801673.db2.gz NXXRRAQBORNYEM-VIFPVBQESA-N 1 0 220.276 1.358 50 0 BDAARO C[C@H](Cn1cncn1)[NH2+]Cc1ccsc1 ZINC000067504934 372802396 /nfs/dbraw/zinc/80/23/96/372802396.db2.gz HNACINIJAQFOKK-SECBINFHSA-N 1 0 222.317 1.518 50 0 BDAARO O=C(C[C@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000238853793 182028368 /nfs/dbraw/zinc/02/83/68/182028368.db2.gz LCVZDXWQCIJGNN-NSHDSACASA-N 1 0 210.321 1.389 50 0 BDAARO O=C(Cc1c[nH]c2ccccc12)N1CC[NH2+]CC1 ZINC000019508777 182032630 /nfs/dbraw/zinc/03/26/30/182032630.db2.gz OTRXVAJGFQFQJN-UHFFFAOYSA-N 1 0 243.310 1.142 50 0 BDAARO O=C(Cc1cccs1)NC[C@H]1CCC[NH2+]C1 ZINC000044501948 182052061 /nfs/dbraw/zinc/05/20/61/182052061.db2.gz WORXAXIOHYUBJZ-JTQLQIEISA-N 1 0 238.356 1.406 50 0 BDAARO C[N@H+](CCN1CCOC1=O)CC1CCCCC1 ZINC000040497115 373336013 /nfs/dbraw/zinc/33/60/13/373336013.db2.gz MDYYPMYYHDOSME-UHFFFAOYSA-N 1 0 240.347 1.951 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1cc(C2CC2)on1 ZINC000020616489 182115949 /nfs/dbraw/zinc/11/59/49/182115949.db2.gz YISDICMXYJHGHL-UHFFFAOYSA-N 1 0 235.287 1.034 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000004298813 182116168 /nfs/dbraw/zinc/11/61/68/182116168.db2.gz XOMMEPFBBQOIBI-UHFFFAOYSA-N 1 0 222.263 1.308 50 0 BDAARO O=C(NCCC1CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000088456288 182154808 /nfs/dbraw/zinc/15/48/08/182154808.db2.gz IXOXMRPIYWDXES-AWEZNQCLSA-N 1 0 244.338 1.617 50 0 BDAARO CCCCS(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000069814584 373834672 /nfs/dbraw/zinc/83/46/72/373834672.db2.gz HUBPSRIJBXHPLR-NSHDSACASA-N 1 0 248.392 1.048 50 0 BDAARO CCN(C(=O)C[NH+]1CCCCCC1)C1CC1 ZINC000041625751 374166768 /nfs/dbraw/zinc/16/67/68/374166768.db2.gz JSAPFVUOOMJEPT-UHFFFAOYSA-N 1 0 224.348 1.873 50 0 BDAARO O=C(NC[C@H]1Cc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000037566083 182247832 /nfs/dbraw/zinc/24/78/32/182247832.db2.gz SWNAVRLADYNPTB-TZMCWYRMSA-N 1 0 244.338 1.585 50 0 BDAARO Cc1n[nH]c(CN2CCC([NH3+])CC2)c1Cl ZINC000426429811 206050483 /nfs/dbraw/zinc/05/04/83/206050483.db2.gz NERDQHYZNUWING-UHFFFAOYSA-N 1 0 228.727 1.295 50 0 BDAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000004218213 182365623 /nfs/dbraw/zinc/36/56/23/182365623.db2.gz ATKYEVIEEMHGSW-UHFFFAOYSA-N 1 0 248.282 1.353 50 0 BDAARO O=C(Nc1cccc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000084554445 182366738 /nfs/dbraw/zinc/36/67/38/182366738.db2.gz QKVNMDKRAUSZLH-UHFFFAOYSA-N 1 0 244.216 1.863 50 0 BDAARO CC[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000019965271 170108303 /nfs/dbraw/zinc/10/83/03/170108303.db2.gz JIMQXTXDTCPATE-UHFFFAOYSA-N 1 0 200.282 1.217 50 0 BDAARO O=C(OCc1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC000091302534 182605089 /nfs/dbraw/zinc/60/50/89/182605089.db2.gz NRDFHLJYVIKWTL-CHWSQXEVSA-N 1 0 246.310 1.759 50 0 BDAARO O=S(=O)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000034163408 182904569 /nfs/dbraw/zinc/90/45/69/182904569.db2.gz WUWFTIGTTQLIMI-UHFFFAOYSA-N 1 0 243.303 1.351 50 0 BDAARO OC1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000000757817 183028606 /nfs/dbraw/zinc/02/86/06/183028606.db2.gz CSFZTATWHZMFQG-KYHHOPLUSA-N 1 0 201.335 1.385 50 0 BDAARO OC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000240508 183029151 /nfs/dbraw/zinc/02/91/51/183029151.db2.gz YNRBHCDZXIHQNR-UHFFFAOYSA-N 1 0 209.264 1.782 50 0 BDAARO OC1(C[NH+]2CCSCC2)CCCCC1 ZINC000065511181 183019030 /nfs/dbraw/zinc/01/90/30/183019030.db2.gz FKLIINJDVPYZQK-UHFFFAOYSA-N 1 0 215.362 1.730 50 0 BDAARO OC1(C[NH2+]CCn2cccn2)CCCCC1 ZINC000042540704 183019957 /nfs/dbraw/zinc/01/99/57/183019957.db2.gz FQQGYICOIUPJQG-UHFFFAOYSA-N 1 0 223.320 1.168 50 0 BDAARO OCCC1([NH2+]Cc2ccco2)CCOCC1 ZINC000089797821 183042296 /nfs/dbraw/zinc/04/22/96/183042296.db2.gz OEKXIXWXGSLXKP-UHFFFAOYSA-N 1 0 225.288 1.301 50 0 BDAARO OCCC[NH2+]Cc1ccc(Br)cc1 ZINC000006889118 183059210 /nfs/dbraw/zinc/05/92/10/183059210.db2.gz GIYMFORZQSXEQM-UHFFFAOYSA-N 1 0 244.132 1.921 50 0 BDAARO OCC[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000050104889 183093725 /nfs/dbraw/zinc/09/37/25/183093725.db2.gz GNJZXQZDIAPBEM-ZDUSSCGKSA-N 1 0 220.316 1.819 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000000211025 183117702 /nfs/dbraw/zinc/11/77/02/183117702.db2.gz KCDLXIQEVPMPMI-SNVBAGLBSA-N 1 0 211.330 1.952 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000107065544 169006087 /nfs/dbraw/zinc/00/60/87/169006087.db2.gz HMDOZSRMWRVZMZ-LBPRGKRZSA-N 1 0 242.363 1.389 50 0 BDAARO OC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000036038390 183109554 /nfs/dbraw/zinc/10/95/54/183109554.db2.gz NBDRVJMAESHLBR-ZJUUUORDSA-N 1 0 249.232 1.233 50 0 BDAARO OC[C@H]1[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000100024349 183132425 /nfs/dbraw/zinc/13/24/25/183132425.db2.gz NMJRXNUMGKZPHG-ITGUQSILSA-N 1 0 203.285 1.357 50 0 BDAARO CCCC[C@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000055502004 169016167 /nfs/dbraw/zinc/01/61/67/169016167.db2.gz IQFCOMPTRVPQIV-MNOVXSKESA-N 1 0 228.361 1.440 50 0 biogenic BDAARO OC[C@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000067847844 183157915 /nfs/dbraw/zinc/15/79/15/183157915.db2.gz OLNZFCULOMEIII-AWEZNQCLSA-N 1 0 219.328 1.981 50 0 BDAARO O[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000052172721 183189126 /nfs/dbraw/zinc/18/91/26/183189126.db2.gz ONMYUCNDOMJZAC-NWDGAFQWSA-N 1 0 213.321 1.306 50 0 BDAARO O[C@H]1[C@@H](C[NH+]2CCCCC2)[C@@H]2CC[C@H]1C2 ZINC000000394562 183212975 /nfs/dbraw/zinc/21/29/75/183212975.db2.gz RJEAJPVKZCYCBQ-MROQNXINSA-N 1 0 209.333 1.879 50 0 BDAARO O[C@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000061707398 183241393 /nfs/dbraw/zinc/24/13/93/183241393.db2.gz QTEPABSAFUCYNO-JTQLQIEISA-N 1 0 214.268 1.806 50 0 BDAARO O[C@H]1CCCC[C@H]1[NH+]1CCN(C2CCC2)CC1 ZINC000309982562 183232804 /nfs/dbraw/zinc/23/28/04/183232804.db2.gz GVMGTTQVGPMPSI-KGLIPLIRSA-N 1 0 238.375 1.460 50 0 BDAARO O[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000040460798 183233735 /nfs/dbraw/zinc/23/37/35/183233735.db2.gz QZLMTRMXZQKYHD-LBPRGKRZSA-N 1 0 221.300 1.522 50 0 BDAARO CCC[N@H+](CCO)C[C@@H](O)c1ccccc1F ZINC000071802036 169164978 /nfs/dbraw/zinc/16/49/78/169164978.db2.gz UYHUWINIAGLJOP-CYBMUJFWSA-N 1 0 241.306 1.563 50 0 BDAARO C#[N+]c1c(N)cc(N)nc1Br ZINC000100931131 183317248 /nfs/dbraw/zinc/31/72/48/183317248.db2.gz PPHPMLLMRNSVNV-UHFFFAOYSA-N 1 0 213.038 1.559 50 0 BDAARO c1c[nH]c(CN2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000077540540 183325717 /nfs/dbraw/zinc/32/57/17/183325717.db2.gz MZKBIRMRKVRLMH-UHFFFAOYSA-N 1 0 248.374 1.860 50 0 BDAARO c1cc(-c2nnc([C@@H]3CCC[NH2+]3)[nH]2)ccn1 ZINC000012114038 183330634 /nfs/dbraw/zinc/33/06/34/183330634.db2.gz NNOPUXKJLMFDAQ-VIFPVBQESA-N 1 0 215.260 1.291 50 0 BDAARO c1cc(C2CC[NH2+]CC2)nc(NCC2CC2)n1 ZINC000095930180 183337181 /nfs/dbraw/zinc/33/71/81/183337181.db2.gz VVKSFLPTLINFRV-UHFFFAOYSA-N 1 0 232.331 1.766 50 0 BDAARO c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094432160 183344557 /nfs/dbraw/zinc/34/45/57/183344557.db2.gz CUUIJPYNGBJYTQ-CQSZACIVSA-N 1 0 231.343 1.752 50 0 BDAARO c1cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)ccn1 ZINC000106379690 183351493 /nfs/dbraw/zinc/35/14/93/183351493.db2.gz YHSZCBOBLJODIW-AWEZNQCLSA-N 1 0 247.342 1.034 50 0 BDAARO c1cc(C[NH2+]C[C@H]2CCCO2)c2c(c1)OCCO2 ZINC000036167983 183351530 /nfs/dbraw/zinc/35/15/30/183351530.db2.gz CPDWFWDMCYWCEX-GFCCVEGCSA-N 1 0 249.310 1.726 50 0 BDAARO c1cc(C[NH2+]C[C@@H]2CCCO2)cc2c1OCO2 ZINC000000299714 183367596 /nfs/dbraw/zinc/36/75/96/183367596.db2.gz GSKKKMLEVJZIAD-NSHDSACASA-N 1 0 235.283 1.684 50 0 BDAARO c1cc2c(cc1N[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000043324139 183369232 /nfs/dbraw/zinc/36/92/32/183369232.db2.gz MCBAWRWVTZMMQS-LLVKDONJSA-N 1 0 234.299 1.622 50 0 BDAARO c1cc(C[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000032099138 183369240 /nfs/dbraw/zinc/36/92/40/183369240.db2.gz JGIVRLDNRBEOHY-NSHDSACASA-N 1 0 219.284 1.957 50 0 BDAARO c1cc2c(cc1[C@H]1CCC[NH2+]1)OCCO2 ZINC000002534012 183371590 /nfs/dbraw/zinc/37/15/90/183371590.db2.gz LSNPFVDQLTUQCE-SNVBAGLBSA-N 1 0 205.257 1.882 50 0 in-vitro BDAARO c1ccc(-c2noc(CN3CC[NH2+]CC3)n2)cc1 ZINC000020282064 183384541 /nfs/dbraw/zinc/38/45/41/183384541.db2.gz BZMOIVZLALQBNE-UHFFFAOYSA-N 1 0 244.298 1.142 50 0 BDAARO CCCNC(=O)c1ccc(OCC[NH3+])cc1 ZINC000020228181 169251418 /nfs/dbraw/zinc/25/14/18/169251418.db2.gz VAXBYAKRXIICFC-UHFFFAOYSA-N 1 0 222.288 1.164 50 0 BDAARO c1nc2c([nH]1)[C@H](c1cccc3nonc31)[NH2+]CC2 ZINC000065462112 183361982 /nfs/dbraw/zinc/36/19/82/183361982.db2.gz QLAOJVLFGMQKSZ-NSHDSACASA-N 1 0 241.254 1.181 50 0 BDAARO c1ccc(CCN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000255991788 183392728 /nfs/dbraw/zinc/39/27/28/183392728.db2.gz ODYLTZRECSDWCJ-GJZGRUSLSA-N 1 0 230.355 1.913 50 0 BDAARO CCC[NH2+]Cc1ccc(OCCO)cc1 ZINC000013731020 169268044 /nfs/dbraw/zinc/26/80/44/169268044.db2.gz BSTNHJOMDOHIIV-UHFFFAOYSA-N 1 0 209.289 1.557 50 0 BDAARO CCCOCCOCC1CC[NH2+]CC1 ZINC000042776104 169309888 /nfs/dbraw/zinc/30/98/88/169309888.db2.gz VBEJRPXKQRAQRW-UHFFFAOYSA-N 1 0 201.310 1.429 50 0 BDAARO CCCS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000097163492 169329928 /nfs/dbraw/zinc/32/99/28/169329928.db2.gz OPTPWZGLQVRZQX-NEPJUHHUSA-N 1 0 247.404 1.980 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC000036873297 169386897 /nfs/dbraw/zinc/38/68/97/169386897.db2.gz QFEPATYFSLBDGA-LLVKDONJSA-N 1 0 212.337 1.905 50 0 BDAARO CC(C)(C)OC(=O)N1CC(C2([NH3+])CC2)C1 ZINC000095743006 166643981 /nfs/dbraw/zinc/64/39/81/166643981.db2.gz QOVIOMOTHJUKFA-UHFFFAOYSA-N 1 0 212.293 1.345 50 0 BDAARO c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000376758874 183540634 /nfs/dbraw/zinc/54/06/34/183540634.db2.gz RVMXZYYYDUIPDQ-QCNOEVLYSA-N 1 0 232.331 1.371 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(CC(N)=[NH2+])CC1 ZINC000096893968 166647389 /nfs/dbraw/zinc/64/73/89/166647389.db2.gz YMZLZEYCGNMWHK-UHFFFAOYSA-N 1 0 241.335 1.960 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000084225106 166652391 /nfs/dbraw/zinc/65/23/91/166652391.db2.gz XMNLSMUWYYKSRJ-QWRGUYRKSA-N 1 0 240.347 1.853 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000034371237 166666248 /nfs/dbraw/zinc/66/62/48/166666248.db2.gz UPXRTDGIBOVLGV-SECBINFHSA-N 1 0 228.336 1.899 50 0 BDAARO CCOCCOCC[C@@H]1CCCC[NH2+]1 ZINC000034972568 383822320 /nfs/dbraw/zinc/82/23/20/383822320.db2.gz HOSVEFZOGPJNTK-NSHDSACASA-N 1 0 201.310 1.572 50 0 BDAARO C[NH+](C)CCCn1cnc2ccccc21 ZINC000000350294 383856385 /nfs/dbraw/zinc/85/63/85/383856385.db2.gz JLTDIDMXNFDJAY-UHFFFAOYSA-N 1 0 203.289 1.988 50 0 BDAARO CC[C@H]1CCCCCN1C(=O)CCC[NH3+] ZINC000158313076 383864576 /nfs/dbraw/zinc/86/45/76/383864576.db2.gz DQUXLSFGIWWLKJ-NSHDSACASA-N 1 0 212.337 1.907 50 0 BDAARO Cc1cc(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)n1 ZINC000000812236 383881443 /nfs/dbraw/zinc/88/14/43/383881443.db2.gz BBKQXYSANRUXJD-LBPRGKRZSA-N 1 0 249.314 1.244 50 0 BDAARO O=C1NC2(CO1)CC[NH+](Cc1ccccc1)CC2 ZINC000088532600 383907025 /nfs/dbraw/zinc/90/70/25/383907025.db2.gz BCDVRULCHQWISY-UHFFFAOYSA-N 1 0 246.310 1.761 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000036873055 383916707 /nfs/dbraw/zinc/91/67/07/383916707.db2.gz HUAAIFLKUBUYIA-GFCCVEGCSA-N 1 0 238.306 1.912 50 0 BDAARO CCOc1ccccc1CN(C)C(=O)C1C[NH2+]C1 ZINC000091412660 383918568 /nfs/dbraw/zinc/91/85/68/383918568.db2.gz HVUHXAZFGCVYDH-UHFFFAOYSA-N 1 0 248.326 1.263 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C[NH3+] ZINC000067425259 383923196 /nfs/dbraw/zinc/92/31/96/383923196.db2.gz DADYKTRZKFJROI-YUMQZZPRSA-N 1 0 218.272 1.293 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH3+])C1 ZINC000036532970 383903110 /nfs/dbraw/zinc/90/31/10/383903110.db2.gz PGBVMVTUWHCOHX-SFYZADRCSA-N 1 0 200.282 1.391 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000255082274 384003298 /nfs/dbraw/zinc/00/32/98/384003298.db2.gz MZSHBFAGURPGSH-DANTVBBOSA-N 1 0 244.338 1.958 50 0 BDAARO CC(C)n1ccnc1CN1CCC[NH2+]CC1 ZINC000068587387 383999382 /nfs/dbraw/zinc/99/93/82/383999382.db2.gz GWUOYWNYDCVREZ-UHFFFAOYSA-N 1 0 222.336 1.259 50 0 BDAARO C[C@H](C(=O)N(C)CCC(C)(C)O)[NH+]1CCCC1 ZINC000067818018 383950416 /nfs/dbraw/zinc/95/04/16/383950416.db2.gz KEQZUTLFXUZMLM-LLVKDONJSA-N 1 0 242.363 1.090 50 0 BDAARO Cc1ccnc(-c2cccc3c2O[C@H](C[NH3+])C3)n1 ZINC000067947775 383963621 /nfs/dbraw/zinc/96/36/21/383963621.db2.gz UAHUYPCJJOBOMQ-NSHDSACASA-N 1 0 241.294 1.714 50 0 BDAARO COc1ccc(OC[C@@H]([NH3+])C2CC2)cc1 ZINC000068902356 384020883 /nfs/dbraw/zinc/02/08/83/384020883.db2.gz IDNWWUOFWVTRHR-GFCCVEGCSA-N 1 0 207.273 1.811 50 0 BDAARO C[NH+](C)CCn1cc(Br)cn1 ZINC000038074753 384064403 /nfs/dbraw/zinc/06/44/03/384064403.db2.gz PFLATUFKWOFXNU-UHFFFAOYSA-N 1 0 218.098 1.207 50 0 BDAARO O=C1NCCCCCC[NH2+][C@H]2CCCC[C@@H]12 ZINC000257187267 384073821 /nfs/dbraw/zinc/07/38/21/384073821.db2.gz LOGUPMNNNMYXAE-NEPJUHHUSA-N 1 0 224.348 1.825 50 0 BDAARO C1CCC([NH+]2CCC(N3CCOCC3)CC2)C1 ZINC000004703481 384077488 /nfs/dbraw/zinc/07/74/88/384077488.db2.gz UGZUBXAWJDUXFC-UHFFFAOYSA-N 1 0 238.375 1.726 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]([NH3+])C[C@@H]2C1 ZINC000091302511 384115477 /nfs/dbraw/zinc/11/54/77/384115477.db2.gz IIZSRECJUBGQCE-VGMNWLOBSA-N 1 0 212.293 1.201 50 0 BDAARO Cc1nnc(N2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000091665579 384135762 /nfs/dbraw/zinc/13/57/62/384135762.db2.gz YNNBPIKZMPHFES-UHFFFAOYSA-N 1 0 245.286 1.100 50 0 BDAARO C[N@H+](CCN1CCCC1=O)[C@@H]1C=CCCC1 ZINC000071903182 384137114 /nfs/dbraw/zinc/13/71/14/384137114.db2.gz HHCBBYVTPYYDCS-GFCCVEGCSA-N 1 0 222.332 1.649 50 0 BDAARO CC[C@H](CC[NH3+])NC(=O)OC(C)(C)C ZINC000039952158 384124158 /nfs/dbraw/zinc/12/41/58/384124158.db2.gz OSIXHRIEVUPMDB-MRVPVSSYSA-N 1 0 202.298 1.639 50 0 BDAARO C[NH+](C)CCCOc1c(F)cc(N)cc1F ZINC000040240312 384129953 /nfs/dbraw/zinc/12/99/53/384129953.db2.gz RZCFFMWEICLLBK-UHFFFAOYSA-N 1 0 230.258 1.878 50 0 BDAARO [NH3+][C@H]1CN(Cc2ccco2)C[C@@H]1C1CC1 ZINC000091690126 384138716 /nfs/dbraw/zinc/13/87/16/384138716.db2.gz SGJBIAMEKJDJLO-NEPJUHHUSA-N 1 0 206.289 1.449 50 0 BDAARO COc1nccnc1-c1cccc2c1CC[NH2+]C2 ZINC000071753052 384176521 /nfs/dbraw/zinc/17/65/21/384176521.db2.gz ZKEOGGOWHWUXRQ-UHFFFAOYSA-N 1 0 241.294 1.798 50 0 BDAARO CC[C@H](NC(=O)C[NH2+]C)c1nc(C)c(C)s1 ZINC000071681195 384173307 /nfs/dbraw/zinc/17/33/07/384173307.db2.gz JAVVFYQFMIMVSR-VIFPVBQESA-N 1 0 241.360 1.547 50 0 BDAARO Cc1ccnc(NCCN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000067724412 384169292 /nfs/dbraw/zinc/16/92/92/384169292.db2.gz UQXVBUWTNXGLDV-LBPRGKRZSA-N 1 0 248.374 1.532 50 0 BDAARO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[NH2+]1 ZINC000071790829 384179582 /nfs/dbraw/zinc/17/95/82/384179582.db2.gz DWPWUTVKBYXVLI-GHMZBOCLSA-N 1 0 211.305 1.718 50 0 BDAARO CC[NH+](CC)CCNC(=O)[C@H]1Cc2ccccc21 ZINC000071916668 384193505 /nfs/dbraw/zinc/19/35/05/384193505.db2.gz APQHFBHFZCFRAJ-AWEZNQCLSA-N 1 0 246.354 1.784 50 0 BDAARO C[C@@]1(F)CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000336267284 384196920 /nfs/dbraw/zinc/19/69/20/384196920.db2.gz CVAWVNMVMKMVAZ-WDEREUQCSA-N 1 0 217.284 1.226 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@](C)([NH3+])C1 ZINC000072193755 384197945 /nfs/dbraw/zinc/19/79/45/384197945.db2.gz KYRWEDDXBNZACB-JTQLQIEISA-N 1 0 200.282 1.345 50 0 BDAARO Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237442694 384200374 /nfs/dbraw/zinc/20/03/74/384200374.db2.gz WNUWHFJEWVWNCB-VXGBXAGGSA-N 1 0 248.326 1.322 50 0 BDAARO [NH3+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000008390474 384200767 /nfs/dbraw/zinc/20/07/67/384200767.db2.gz FNQPWDKQHVPKKP-UHFFFAOYSA-N 1 0 213.664 1.612 50 0 BDAARO c1cnc2c(c1)cccc2OC1C[NH2+]C1 ZINC000042770041 384239907 /nfs/dbraw/zinc/23/99/07/384239907.db2.gz MRLONZGAOYTKAZ-UHFFFAOYSA-N 1 0 200.241 1.585 50 0 BDAARO O=C1NCC2(CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000082297209 384222928 /nfs/dbraw/zinc/22/29/28/384222928.db2.gz TWGUXHOVQQNFJG-LBPRGKRZSA-N 1 0 230.311 1.270 50 0 BDAARO c1cncc(OCCC2CC[NH2+]CC2)c1 ZINC000042773366 384242847 /nfs/dbraw/zinc/24/28/47/384242847.db2.gz WGWBOUFIRWMASS-UHFFFAOYSA-N 1 0 206.289 1.850 50 0 BDAARO CC(=O)c1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771444 384242853 /nfs/dbraw/zinc/24/28/53/384242853.db2.gz HDXRKCDKGSWOMK-LLVKDONJSA-N 1 0 219.284 1.878 50 0 BDAARO COC(=O)c1ccccc1CO[C@H]1CCC[NH2+]C1 ZINC000042782943 384242930 /nfs/dbraw/zinc/24/29/30/384242930.db2.gz PSYBRVFKZXEYOT-LBPRGKRZSA-N 1 0 249.310 1.742 50 0 BDAARO COC(=O)c1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000042773855 384243276 /nfs/dbraw/zinc/24/32/76/384243276.db2.gz RTDWRYRPRKOXQS-LBPRGKRZSA-N 1 0 249.310 1.599 50 0 BDAARO C[C@@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)c2ccccc21 ZINC000408519313 384277883 /nfs/dbraw/zinc/27/78/83/384277883.db2.gz UAEQALDQGIHDHN-YGRLFVJLSA-N 1 0 248.301 1.838 50 0 BDAARO CC[C@H]1C[N@H+](CC)CCN1c1ccnc(C)n1 ZINC000408519740 384276388 /nfs/dbraw/zinc/27/63/88/384276388.db2.gz XEUJLECGSJQYLH-LBPRGKRZSA-N 1 0 234.347 1.706 50 0 BDAARO COCCc1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042771224 384242502 /nfs/dbraw/zinc/24/25/02/384242502.db2.gz WPWUPUAWPVNDQG-CYBMUJFWSA-N 1 0 235.327 1.864 50 0 BDAARO [NH3+]CCc1csc(-c2ccncc2)n1 ZINC000011956047 384303970 /nfs/dbraw/zinc/30/39/70/384303970.db2.gz HMCNIFZEHKXHEM-UHFFFAOYSA-N 1 0 205.286 1.706 50 0 BDAARO [NH3+]CCc1cc2ccc(F)cc2[nH]c1=O ZINC000011980308 384305468 /nfs/dbraw/zinc/30/54/68/384305468.db2.gz DRONQCPJQAHZJW-UHFFFAOYSA-N 1 0 206.220 1.168 50 0 BDAARO [NH3+]Cc1ccccc1OC1CCOCC1 ZINC000012370462 384314560 /nfs/dbraw/zinc/31/45/60/384314560.db2.gz RYSYBWINUIGVGZ-UHFFFAOYSA-N 1 0 207.273 1.703 50 0 BDAARO c1cnc(SC[C@@H]2CCC[NH2+]C2)nc1 ZINC000043471681 384278926 /nfs/dbraw/zinc/27/89/26/384278926.db2.gz LIQVSECNEXHLCJ-SECBINFHSA-N 1 0 209.318 1.568 50 0 BDAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(N)=O ZINC000078516447 384293099 /nfs/dbraw/zinc/29/30/99/384293099.db2.gz RGYMAUIWAGBNCR-ZWNOBZJWSA-N 1 0 232.327 1.991 50 0 BDAARO C[NH+](C)CCOc1ccc(C(N)=S)cc1 ZINC000011799337 384297003 /nfs/dbraw/zinc/29/70/03/384297003.db2.gz KGWSEAQYTYTBCA-UHFFFAOYSA-N 1 0 224.329 1.261 50 0 BDAARO C1C[NH2+][C@H](c2nnc3n2CCCCC3)C1 ZINC000012505128 384322183 /nfs/dbraw/zinc/32/21/83/384322183.db2.gz DYMCNSVJJVMPOO-VIFPVBQESA-N 1 0 206.293 1.429 50 0 BDAARO Cc1ccc(OCC(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000237694366 384346212 /nfs/dbraw/zinc/34/62/12/384346212.db2.gz ROFIITZFFRROCB-GFCCVEGCSA-N 1 0 248.326 1.242 50 0 BDAARO COC(=O)c1ccc2[nH]c3c(c2c1)C[NH2+]CC3 ZINC000013013696 384346861 /nfs/dbraw/zinc/34/68/61/384346861.db2.gz NCRWBLSVIRVJJQ-UHFFFAOYSA-N 1 0 230.267 1.600 50 0 BDAARO O=C1NCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000044831713 384362066 /nfs/dbraw/zinc/36/20/66/384362066.db2.gz SOCKNRAACONBPT-NSHDSACASA-N 1 0 204.273 1.055 50 0 BDAARO Cn1nccc1[C@H]1[C@H](C[NH3+])CCCN1C1CC1 ZINC000159907460 384370169 /nfs/dbraw/zinc/37/01/69/384370169.db2.gz CLQJJIMBCJTEAB-GXFFZTMASA-N 1 0 234.347 1.294 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC000095743185 384392823 /nfs/dbraw/zinc/39/28/23/384392823.db2.gz WRSIZFQACIWVCA-SKDRFNHKSA-N 1 0 226.320 1.653 50 0 BDAARO [NH3+][C@H]1CCC12CN(C(=O)OCc1ccccc1)C2 ZINC000095743301 384392901 /nfs/dbraw/zinc/39/29/01/384392901.db2.gz FMCGNVMCATULGB-LBPRGKRZSA-N 1 0 246.310 1.746 50 0 BDAARO CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH3+] ZINC000095743400 384393462 /nfs/dbraw/zinc/39/34/62/384393462.db2.gz MHRFRDWLNRHXMY-SSDOTTSWSA-N 1 0 236.262 1.590 50 0 BDAARO CN(C[C@@]12C[C@@H]1C[NH2+]C2)C(=O)OC(C)(C)C ZINC000095742842 384393714 /nfs/dbraw/zinc/39/37/14/384393714.db2.gz UCMUPBISLYTFNS-SKDRFNHKSA-N 1 0 226.320 1.463 50 0 BDAARO COc1c(C)cnc(CN2CC[NH2+]CC2)c1C ZINC000095482917 384377016 /nfs/dbraw/zinc/37/70/16/384377016.db2.gz CVJKWQOZSOWYEA-UHFFFAOYSA-N 1 0 235.331 1.112 50 0 BDAARO CC(C)(C)OC(=O)NC1CC(C[NH3+])C1 ZINC000095626738 384382709 /nfs/dbraw/zinc/38/27/09/384382709.db2.gz ACDLXPYQWYTZLE-UHFFFAOYSA-N 1 0 200.282 1.248 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])[C@@H](F)C1 ZINC000095629883 384385693 /nfs/dbraw/zinc/38/56/93/384385693.db2.gz PWWDRFMQLZQJAY-BDAKNGLRSA-N 1 0 232.299 1.540 50 0 BDAARO Nc1nnc([C@@H](N)c2ccccc2)s1 ZINC000096085743 384433615 /nfs/dbraw/zinc/43/36/15/384433615.db2.gz ODESJYPRWODCFO-ZETCQYMHSA-N 1 0 206.274 1.168 50 0 BDAARO O=C(C(F)F)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000019220034 384513480 /nfs/dbraw/zinc/51/34/80/384513480.db2.gz YZYGYMKUQKEHTF-JTQLQIEISA-N 1 0 246.301 1.586 50 0 BDAARO COc1ccc(Cc2noc(C3C[NH2+]C3)n2)cc1 ZINC000048981089 384515151 /nfs/dbraw/zinc/51/51/51/384515151.db2.gz CIFIKFKODFRUHQ-UHFFFAOYSA-N 1 0 245.282 1.356 50 0 BDAARO c1ccc(SCCN2CC[NH2+]CC2)cc1 ZINC000019369649 384520342 /nfs/dbraw/zinc/52/03/42/384520342.db2.gz KVSFTLLHQGAGKB-UHFFFAOYSA-N 1 0 222.357 1.684 50 0 BDAARO c1ccc2c(c1)CCN2C1CC[NH2+]CC1 ZINC000019519148 384528859 /nfs/dbraw/zinc/52/88/59/384528859.db2.gz HTXSCMQHTMIMTD-UHFFFAOYSA-N 1 0 202.301 1.801 50 0 BDAARO [NH3+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000049648868 384554336 /nfs/dbraw/zinc/55/43/36/384554336.db2.gz WUCWBIFFYUCGFK-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO CCCn1ccnc1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000097759433 384554556 /nfs/dbraw/zinc/55/45/56/384554556.db2.gz QEHSIIKPTXFNOU-OLZOCXBDSA-N 1 0 248.374 1.477 50 0 BDAARO CC(CO)(CO)[NH2+]Cc1cccc(Cl)c1 ZINC000095408010 384537263 /nfs/dbraw/zinc/53/72/63/384537263.db2.gz UZUFYLSFTXDPSE-UHFFFAOYSA-N 1 0 229.707 1.173 50 0 BDAARO [NH3+]CCCc1ccnn1-c1ccccc1 ZINC000044279679 384567023 /nfs/dbraw/zinc/56/70/23/384567023.db2.gz LBTRMXDZGSEXMP-UHFFFAOYSA-N 1 0 201.273 1.764 50 0 BDAARO C[NH2+]Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000020281627 384609462 /nfs/dbraw/zinc/60/94/62/384609462.db2.gz FCWQMPXAFVBSFM-UHFFFAOYSA-N 1 0 246.232 1.698 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]21 ZINC000082359764 384674978 /nfs/dbraw/zinc/67/49/78/384674978.db2.gz XEDSJRNOTLOESP-UWVGGRQHSA-N 1 0 226.320 1.748 50 0 BDAARO C[C@H]([NH3+])C(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000178813429 384638458 /nfs/dbraw/zinc/63/84/58/384638458.db2.gz CCLDGRZIKCKSKL-MNOVXSKESA-N 1 0 247.342 1.201 50 0 BDAARO CCC[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1[NH+](C)C ZINC000082135114 384648144 /nfs/dbraw/zinc/64/81/44/384648144.db2.gz LHMQXVRBYHUUGL-VXGBXAGGSA-N 1 0 236.363 1.572 50 0 BDAARO CN(C)c1ccc(CN2CCCC[C@@H]([NH3+])C2)cn1 ZINC000082170620 384650330 /nfs/dbraw/zinc/65/03/30/384650330.db2.gz DOBGZWMGKUVKNA-CYBMUJFWSA-N 1 0 248.374 1.461 50 0 BDAARO c1ccc2c(c1)CC[C@H]([NH+]1CCOCC1)C2 ZINC000022007632 384724728 /nfs/dbraw/zinc/72/47/28/384724728.db2.gz XUNWLSIZOQCHMX-AWEZNQCLSA-N 1 0 217.312 1.876 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]Cc1nccn1C(C)C ZINC000097082208 384700795 /nfs/dbraw/zinc/70/07/95/384700795.db2.gz ZTALBRQSRWNHQB-LLVKDONJSA-N 1 0 225.336 1.571 50 0 BDAARO CO[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000077173965 384702234 /nfs/dbraw/zinc/70/22/34/384702234.db2.gz MVQACEXTIKPHTM-CYBMUJFWSA-N 1 0 226.364 1.583 50 0 BDAARO C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000052575205 384734853 /nfs/dbraw/zinc/73/48/53/384734853.db2.gz WYIDLXUVRHMPEI-UHFFFAOYSA-N 1 0 202.261 1.046 50 0 BDAARO CCc1ccc2c(c1)[C@@H](CC[NH3+])C(=O)N2 ZINC000022218303 384742343 /nfs/dbraw/zinc/74/23/43/384742343.db2.gz VOPHTUOLZVICOY-SECBINFHSA-N 1 0 204.273 1.634 50 0 BDAARO FC(F)(F)c1nnc([C@H]2CCC[NH2+]C2)o1 ZINC000083305363 384757416 /nfs/dbraw/zinc/75/74/16/384757416.db2.gz BODYBVPVMVOJQF-YFKPBYRVSA-N 1 0 221.182 1.555 50 0 BDAARO COC[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000053172008 384765980 /nfs/dbraw/zinc/76/59/80/384765980.db2.gz XHXLNIRXMTWEBN-SNVBAGLBSA-N 1 0 211.280 1.993 50 0 BDAARO [NH3+][C@@H]1CCN(Cc2ccc(F)c(Cl)c2)C1=O ZINC000053157946 384766429 /nfs/dbraw/zinc/76/64/29/384766429.db2.gz WUQMYKXQOURNJF-SNVBAGLBSA-N 1 0 242.681 1.539 50 0 BDAARO Cc1cc(C)c(C[N@H+](C)CC(N)=O)c(C)c1 ZINC000053331179 384781658 /nfs/dbraw/zinc/78/16/58/384781658.db2.gz VMEPKLWUDUMVIS-UHFFFAOYSA-N 1 0 220.316 1.529 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088059119 384782446 /nfs/dbraw/zinc/78/24/46/384782446.db2.gz OQFPNKMPFLEVPY-ZDUSSCGKSA-N 1 0 246.354 1.666 50 0 BDAARO c1[nH]c2ccccc2c1C[C@H]1COCC[NH2+]1 ZINC000026898404 384888086 /nfs/dbraw/zinc/88/80/86/384888086.db2.gz OBEIPTLFNWMGFT-NSHDSACASA-N 1 0 216.284 1.699 50 0 BDAARO CC(C)c1ccc(-n2nnnc2C[NH3+])cc1 ZINC000054744701 384852024 /nfs/dbraw/zinc/85/20/24/384852024.db2.gz MVGOZAISSHROLC-UHFFFAOYSA-N 1 0 217.276 1.244 50 0 BDAARO C[C@H]1[C@@H]([NH3+])CCCN1C(=O)OC(C)(C)C ZINC000084237412 384853246 /nfs/dbraw/zinc/85/32/46/384853246.db2.gz ZGIHBYXILBKXGA-IUCAKERBSA-N 1 0 214.309 1.733 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000054918275 384862656 /nfs/dbraw/zinc/86/26/56/384862656.db2.gz PZUCLSJXDPWBSQ-ZDUSSCGKSA-N 1 0 244.294 1.466 50 0 BDAARO COC(=O)c1oc(C[NH+]2CCCC2)cc1C ZINC000058203539 384989436 /nfs/dbraw/zinc/98/94/36/384989436.db2.gz XHTDIORXHXZUQN-UHFFFAOYSA-N 1 0 223.272 1.970 50 0 BDAARO CC(C)(CNC(N)=[NH2+])[N@@H+]1CCc2ccccc2C1 ZINC000058326823 384996974 /nfs/dbraw/zinc/99/69/74/384996974.db2.gz RDGYILQGUZTIFQ-UHFFFAOYSA-N 1 0 246.358 1.306 50 0 BDAARO Fc1cc(Cl)cnc1N1CCC[NH2+]CC1 ZINC000086709937 385040274 /nfs/dbraw/zinc/04/02/74/385040274.db2.gz OLASVOQJQRJGBC-UHFFFAOYSA-N 1 0 229.686 1.674 50 0 BDAARO c1ccc2c(c1)CCC[C@@H]2N1CC[NH2+]CC1 ZINC000031889613 385109153 /nfs/dbraw/zinc/10/91/53/385109153.db2.gz DLLBLNFCUXJHHV-AWEZNQCLSA-N 1 0 216.328 1.969 50 0 BDAARO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CC[NH3+] ZINC000269055623 385183889 /nfs/dbraw/zinc/18/38/89/385183889.db2.gz GRBKPGYJAASFSK-GXTWGEPZSA-N 1 0 246.354 1.815 50 0 BDAARO CC[C@H]1C[N@H+](CC(=O)N(C)C2CC2)CCS1 ZINC000096441727 385167786 /nfs/dbraw/zinc/16/77/86/385167786.db2.gz JUTDHZISTZTFAD-NSHDSACASA-N 1 0 242.388 1.435 50 0 BDAARO C[n+]1ccn(C(=O)N2CCCCCCC2)c1 ZINC000032628688 385175819 /nfs/dbraw/zinc/17/58/19/385175819.db2.gz NKXBAAHZYQNXHB-UHFFFAOYSA-N 1 0 222.312 1.547 50 0 BDAARO CC(C)C[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000236665591 385233008 /nfs/dbraw/zinc/23/30/08/385233008.db2.gz ROUWQVKJTDXUMH-LLVKDONJSA-N 1 0 212.337 1.620 50 0 BDAARO C[N@H+](Cc1ccccc1)CC1(CO)CCOCC1 ZINC000052199187 385235033 /nfs/dbraw/zinc/23/50/33/385235033.db2.gz LANAPXWNGIRCCM-UHFFFAOYSA-N 1 0 249.354 1.908 50 0 BDAARO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000034116712 385272624 /nfs/dbraw/zinc/27/26/24/385272624.db2.gz HJUZGKGDCUOVML-IUCAKERBSA-N 1 0 214.309 1.509 50 0 BDAARO Cn1cc(C[NH2+][C@@H]2CCC23CCCC3)nn1 ZINC000336363684 385279423 /nfs/dbraw/zinc/27/94/23/385279423.db2.gz OVGWDYIRGQLVSH-LLVKDONJSA-N 1 0 220.320 1.628 50 0 BDAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CC[NH2+]C1 ZINC000169676823 385416859 /nfs/dbraw/zinc/41/68/59/385416859.db2.gz GODRQOPPMGVCHZ-GFCCVEGCSA-N 1 0 228.299 1.788 50 0 BDAARO Cc1ccc(F)cc1C(=O)NCC[NH2+]C1CC1 ZINC000062666813 385477650 /nfs/dbraw/zinc/47/76/50/385477650.db2.gz IHZSVMILUQJUMO-UHFFFAOYSA-N 1 0 236.290 1.616 50 0 BDAARO Cc1c[nH+]ccc1NCCn1cnnc1 ZINC000065530968 385630480 /nfs/dbraw/zinc/63/04/80/385630480.db2.gz PBGBJCLVAPIZNI-UHFFFAOYSA-N 1 0 203.249 1.094 50 0 BDAARO C[NH+]1CCC(COc2ncccc2N)CC1 ZINC000259658515 385612531 /nfs/dbraw/zinc/61/25/31/385612531.db2.gz SZHAPBOXXDPKBS-UHFFFAOYSA-N 1 0 221.304 1.384 50 0 BDAARO Cn1cncc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000215512956 385844391 /nfs/dbraw/zinc/84/43/91/385844391.db2.gz WBYPVPGNTZLNCC-UHFFFAOYSA-N 1 0 249.358 1.813 50 0 BDAARO CCS(=O)(=O)C[C@H](C)[NH2+]CC1CCCCC1 ZINC000095973164 385953909 /nfs/dbraw/zinc/95/39/09/385953909.db2.gz KGDAMXCBTSSGFW-NSHDSACASA-N 1 0 247.404 1.980 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)CCCC2 ZINC000335058618 385958631 /nfs/dbraw/zinc/95/86/31/385958631.db2.gz KABCRMMEGLVYFX-CYBMUJFWSA-N 1 0 247.342 1.882 50 0 BDAARO O=C(CC[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1ccno1 ZINC000222455052 386046722 /nfs/dbraw/zinc/04/67/22/386046722.db2.gz CFTAGYDFLSUAFF-MNOVXSKESA-N 1 0 249.314 1.165 50 0 BDAARO CC(C)[C@@H]([NH2+]CC(N)=O)c1cccs1 ZINC000029189693 386202953 /nfs/dbraw/zinc/20/29/53/386202953.db2.gz ZJFAZVDXZOVMBO-SNVBAGLBSA-N 1 0 212.318 1.520 50 0 BDAARO COC[C@@]1(C[NH3+])OCCc2ccccc21 ZINC000225508106 386200382 /nfs/dbraw/zinc/20/03/82/386200382.db2.gz RBXCTWVBGCETGV-GFCCVEGCSA-N 1 0 207.273 1.060 50 0 BDAARO CC[N@H+](CC(N)=O)[C@@H](C)c1ccc(F)cc1 ZINC000053087781 386372736 /nfs/dbraw/zinc/37/27/36/386372736.db2.gz DLQXTWRSBHLYHM-VIFPVBQESA-N 1 0 224.279 1.694 50 0 BDAARO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262638490 386542813 /nfs/dbraw/zinc/54/28/13/386542813.db2.gz QHPQFGRSHBFWIM-KXNHARMFSA-N 1 0 240.347 1.140 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2C)C1 ZINC000053202217 387018229 /nfs/dbraw/zinc/01/82/29/387018229.db2.gz KXFQKLKBVYLNFG-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1cncc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000088451654 387190322 /nfs/dbraw/zinc/19/03/22/387190322.db2.gz SVXRDWYDYFGPLD-DGCLKSJQSA-N 1 0 247.342 1.732 50 0 BDAARO CCCCN1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000253495371 387290545 /nfs/dbraw/zinc/29/05/45/387290545.db2.gz AWYWTZFQZLSUEV-UHFFFAOYSA-N 1 0 248.374 1.647 50 0 BDAARO Cc1cc(C)c(C[NH2+][C@@H](C)CC(N)=O)c(C)c1 ZINC000089568734 387354290 /nfs/dbraw/zinc/35/42/90/387354290.db2.gz WPTKQKCFERXFCE-LBPRGKRZSA-N 1 0 234.343 1.965 50 0 BDAARO Cc1ccc(CCC(=O)N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000237677320 387370617 /nfs/dbraw/zinc/37/06/17/387370617.db2.gz QQUACUMHYMBRPP-CQSZACIVSA-N 1 0 246.354 1.796 50 0 BDAARO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(F)c1 ZINC000090850332 387455997 /nfs/dbraw/zinc/45/59/97/387455997.db2.gz OAYHVXMGEMTWRT-ZWNOBZJWSA-N 1 0 239.290 1.628 50 0 BDAARO C[C@]12CCCC[N@@H+]1[C@@H]1C=CC3=CC(=O)O[C@@]32C1 ZINC000045952149 387420003 /nfs/dbraw/zinc/42/00/03/387420003.db2.gz XRVWKHDFEMFWCN-BNOWGMLFSA-N 1 0 231.295 1.795 50 0 BDAARO C[NH+](C)C[C@H](O)[C@H]1CCOC(C)(C)C1 ZINC000004697679 387570078 /nfs/dbraw/zinc/57/00/78/387570078.db2.gz JIWIONXENNGZDF-UWVGGRQHSA-N 1 0 201.310 1.114 50 0 biogenic BDAARO c1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000376758873 387667580 /nfs/dbraw/zinc/66/75/80/387667580.db2.gz RVMXZYYYDUIPDQ-NNYUYHANSA-N 1 0 232.331 1.371 50 0 BDAARO Cc1nn(C)c(C)c1C[N@H+]1C[C@H](C)[C@H]1C ZINC000521394288 387915792 /nfs/dbraw/zinc/91/57/92/387915792.db2.gz ZQMMMENRIXSWFQ-WCBMZHEXSA-N 1 0 207.321 1.877 50 0 BDAARO Cn1cc(C[NH2+]Cc2cccc(CO)c2)cn1 ZINC000222114875 387932634 /nfs/dbraw/zinc/93/26/34/387932634.db2.gz CWHZSYPBCBVGMD-UHFFFAOYSA-N 1 0 231.299 1.202 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CC(=O)NC(C)(C)C ZINC000065474702 387995064 /nfs/dbraw/zinc/99/50/64/387995064.db2.gz MQHDBTZGADCWIC-UHFFFAOYSA-N 1 0 238.335 1.031 50 0 BDAARO CCO[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000250524783 388176833 /nfs/dbraw/zinc/17/68/33/388176833.db2.gz QQWJPRVNTDSSPR-IJLUTSLNSA-N 1 0 240.347 1.141 50 0 BDAARO CCc1c(N)nc(C2([NH3+])CCCCC2)[nH]c1=O ZINC000071859361 388121132 /nfs/dbraw/zinc/12/11/32/388121132.db2.gz PBUVOJUIMYSAKV-UHFFFAOYSA-N 1 0 236.319 1.033 50 0 BDAARO Cn1c(C[NH2+]C2CCOCC2)nc2ccccc21 ZINC000066989034 388404133 /nfs/dbraw/zinc/40/41/33/388404133.db2.gz VXSTUPUERHABMS-UHFFFAOYSA-N 1 0 245.326 1.842 50 0 BDAARO Cc1ccc(C[NH2+]C2(CCO)CCOCC2)o1 ZINC000089656076 388358470 /nfs/dbraw/zinc/35/84/70/388358470.db2.gz WFHIWIGNRASQEO-UHFFFAOYSA-N 1 0 239.315 1.609 50 0 BDAARO CC[n+]1ccc(C(=O)NCc2ccccc2)cc1 ZINC000003184541 388368140 /nfs/dbraw/zinc/36/81/40/388368140.db2.gz SNKGRDUZTIHJOP-UHFFFAOYSA-O 1 0 241.314 1.924 50 0 BDAARO CS[C@H]1CCC[C@H]1[N@H+](C)CCOCCO ZINC000076146659 388380047 /nfs/dbraw/zinc/38/00/47/388380047.db2.gz LXPBTSFLLDYSGY-MNOVXSKESA-N 1 0 233.377 1.211 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CC[NH2+]C[C@@H]1C ZINC000254990894 388380620 /nfs/dbraw/zinc/38/06/20/388380620.db2.gz LHBWRYPAVILGFU-WSROAFLRSA-N 1 0 244.338 1.829 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000254935369 388393889 /nfs/dbraw/zinc/39/38/89/388393889.db2.gz ABSNMGRTUWGPMH-FJOGCWAESA-N 1 0 231.299 1.045 50 0 BDAARO CC[C@@H](CNC(=O)c1cccnc1)[NH+]1CCCC1 ZINC000042500358 388444541 /nfs/dbraw/zinc/44/45/41/388444541.db2.gz WQZIEKPQTWFMRY-ZDUSSCGKSA-N 1 0 247.342 1.686 50 0 BDAARO CC[C@H](c1ccncc1)[N@H+](C)C[C@H]1CNC(=O)O1 ZINC000252522913 388480661 /nfs/dbraw/zinc/48/06/61/388480661.db2.gz BJQFSVUXIWCEEF-VXGBXAGGSA-N 1 0 249.314 1.573 50 0 BDAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CCOCCO ZINC000195531581 388478055 /nfs/dbraw/zinc/47/80/55/388478055.db2.gz LXPBTSFLLDYSGY-WDEREUQCSA-N 1 0 233.377 1.211 50 0 BDAARO Cc1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000067696364 388407368 /nfs/dbraw/zinc/40/73/68/388407368.db2.gz TUMGRRWLFPHQKR-ZDUSSCGKSA-N 1 0 232.331 1.365 50 0 BDAARO Cc1noc([C@@H](C)N2CC[NH+](C(C)C)CC2)n1 ZINC000069351362 388414974 /nfs/dbraw/zinc/41/49/74/388414974.db2.gz OKSFXTFANPNPNZ-SNVBAGLBSA-N 1 0 238.335 1.465 50 0 BDAARO C[C@@H](CNC(=O)c1ncccc1O)[NH+]1CCCC1 ZINC000069438893 388416458 /nfs/dbraw/zinc/41/64/58/388416458.db2.gz HZDPILAIJSTZBG-JTQLQIEISA-N 1 0 249.314 1.001 50 0 BDAARO CCCC[NH+]1CCN(CCOC)CC1 ZINC000069628288 388423045 /nfs/dbraw/zinc/42/30/45/388423045.db2.gz SAUMMQIMSQGRTO-UHFFFAOYSA-N 1 0 200.326 1.051 50 0 BDAARO c1csc(CC[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069652332 388423451 /nfs/dbraw/zinc/42/34/51/388423451.db2.gz ALLROTHVKGWXEN-SNVBAGLBSA-N 1 0 248.355 1.487 50 0 BDAARO CC[C@H]1C[N@@H+](C(C)C)CCN1CCOC ZINC000069840475 388427206 /nfs/dbraw/zinc/42/72/06/388427206.db2.gz VFFOHZZPGKMXQY-LBPRGKRZSA-N 1 0 214.353 1.437 50 0 BDAARO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000195566509 388486513 /nfs/dbraw/zinc/48/65/13/388486513.db2.gz PAQIWKVEZIUIDW-GARJFASQSA-N 1 0 228.336 1.045 50 0 BDAARO CSC[C@](C)(O)C[NH2+]C[C@@H]1CCSC1 ZINC000225610835 388594719 /nfs/dbraw/zinc/59/47/19/388594719.db2.gz AAUYLQJLSFCXAE-VHSXEESVSA-N 1 0 235.418 1.443 50 0 BDAARO CC1(C)C(C(=O)N2CC[C@@H]([NH3+])C2)C1(C)C ZINC000085710278 388673266 /nfs/dbraw/zinc/67/32/66/388673266.db2.gz SASHGLFEXSPNCF-MRVPVSSYSA-N 1 0 210.321 1.228 50 0 BDAARO O=C1Nc2ccccc2CCN1C1CC[NH2+]CC1 ZINC000034519855 388652073 /nfs/dbraw/zinc/65/20/73/388652073.db2.gz USOSUQZREODCRK-UHFFFAOYSA-N 1 0 245.326 1.829 50 0 BDAARO CSCC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000095973124 388797445 /nfs/dbraw/zinc/79/74/45/388797445.db2.gz YIXSZUHOJSAXRI-NSHDSACASA-N 1 0 240.376 1.353 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000096256103 388812107 /nfs/dbraw/zinc/81/21/07/388812107.db2.gz XNOQBLLNZXKYHN-IZZDOVSWSA-N 1 0 224.348 1.895 50 0 BDAARO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1ccco1 ZINC000283840554 388826190 /nfs/dbraw/zinc/82/61/90/388826190.db2.gz FNHHTAVDDHQMHA-JQWIXIFHSA-N 1 0 241.331 1.527 50 0 BDAARO Cc1cc(N2CCNC(=O)C2)c2ccccc2[nH+]1 ZINC000040489117 132223558 /nfs/dbraw/zinc/22/35/58/132223558.db2.gz VCZUQUQIIWMGIK-UHFFFAOYSA-N 1 0 241.294 1.479 50 0 BDAARO C[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC000005675062 132242932 /nfs/dbraw/zinc/24/29/32/132242932.db2.gz UEPNIRMSPSJIAO-UHFFFAOYSA-N 1 0 227.311 1.987 50 0 BDAARO CCCc1nc(C)cc(N2CC[NH2+]CC2)n1 ZINC000006702247 132243511 /nfs/dbraw/zinc/24/35/11/132243511.db2.gz YFGWQYGNDYCUAE-UHFFFAOYSA-N 1 0 220.320 1.147 50 0 BDAARO CC(C)[NH+]1CCN(c2cnccn2)CC1 ZINC000116984033 132312419 /nfs/dbraw/zinc/31/24/19/132312419.db2.gz SVMQCGQXVGRRLQ-UHFFFAOYSA-N 1 0 206.293 1.007 50 0 BDAARO Cc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000007986283 132318622 /nfs/dbraw/zinc/31/86/22/132318622.db2.gz VVMXAXVHQDIGRF-UHFFFAOYSA-N 1 0 205.305 1.329 50 0 BDAARO COc1ccc(C)cc1N1CC[NH2+]CC1 ZINC000011632567 132320058 /nfs/dbraw/zinc/32/00/58/132320058.db2.gz LBQDADYHTCZZCQ-UHFFFAOYSA-N 1 0 206.289 1.413 50 0 BDAARO [NH3+]Cc1ccc(N2CCCC[C@@H]2CCO)nc1 ZINC000019257590 132324435 /nfs/dbraw/zinc/32/44/35/132324435.db2.gz FBNWJFRXSWNVFP-GFCCVEGCSA-N 1 0 235.331 1.282 50 0 BDAARO [NH3+]CCN1CCN(c2ccccc2Cl)CC1 ZINC000021948434 132332093 /nfs/dbraw/zinc/33/20/93/132332093.db2.gz BHSUUUBLBZJLAU-UHFFFAOYSA-N 1 0 239.750 1.421 50 0 BDAARO c1ccc2c(c1)CCCN2[C@@H]1CC[NH2+]C1 ZINC000042783321 132352604 /nfs/dbraw/zinc/35/26/04/132352604.db2.gz CAMDWIRSSVRHNB-GFCCVEGCSA-N 1 0 202.301 1.801 50 0 BDAARO c1cnc(N2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000071747863 132395408 /nfs/dbraw/zinc/39/54/08/132395408.db2.gz VIRMRWMUAREPGO-LBPRGKRZSA-N 1 0 232.331 1.303 50 0 BDAARO CCCN(Cc1cccnc1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000055371448 134389429 /nfs/dbraw/zinc/38/94/29/134389429.db2.gz RUADDLCLZASGNB-ZDUSSCGKSA-N 1 0 247.342 1.572 50 0 BDAARO FCC1C[NH+](Cc2cccc3c[nH]nc32)C1 ZINC000335248323 135982481 /nfs/dbraw/zinc/98/24/81/135982481.db2.gz POUBJOWURVERRF-UHFFFAOYSA-N 1 0 219.263 1.964 50 0 BDAARO C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000022862841 397975946 /nfs/dbraw/zinc/97/59/46/397975946.db2.gz UOBZVJHWHJAJCT-UHFFFAOYSA-N 1 0 220.316 1.238 50 0 BDAARO C1CC1c1nnc([C@@H]2CCC[NH2+]C2)s1 ZINC000026424284 322868523 /nfs/dbraw/zinc/86/85/23/322868523.db2.gz PNMJDBQJEZWKFM-MRVPVSSYSA-N 1 0 209.318 1.883 50 0 BDAARO CC(C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000000374364 167115454 /nfs/dbraw/zinc/11/54/54/167115454.db2.gz ONXLHKFGTDDVLQ-NSHDSACASA-N 1 0 209.289 1.424 50 0 in-vivo BDAARO Cc1cccc(/C=C\C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000255081544 322910983 /nfs/dbraw/zinc/91/09/83/322910983.db2.gz RXZLSSPDQDKJDH-SZZPACECSA-N 1 0 230.311 1.568 50 0 BDAARO COC[C@@H](C)[NH2+]CC1(Cn2ccnc2)CC1 ZINC000065503700 409993811 /nfs/dbraw/zinc/99/38/11/409993811.db2.gz GJRCSFMKESPRTP-LLVKDONJSA-N 1 0 223.320 1.288 50 0 BDAARO Cc1ccc(OCC[NH2+]CCO)cc1C ZINC000002931143 487614637 /nfs/dbraw/zinc/61/46/37/487614637.db2.gz PXAUWIWDYIDUGE-UHFFFAOYSA-N 1 0 209.289 1.264 50 0 BDAARO CC(C)(C)OC(=O)NC[C@](C)([NH3+])C1CC1 ZINC000060279986 166664014 /nfs/dbraw/zinc/66/40/14/166664014.db2.gz IZRPKDHEVZDZET-NSHDSACASA-N 1 0 214.309 1.639 50 0 BDAARO CC(C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000020209367 167077930 /nfs/dbraw/zinc/07/79/30/167077930.db2.gz ZNJVGMFALNZTSB-UHFFFAOYSA-N 1 0 207.277 1.675 50 0 BDAARO CC(C)NC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000086229862 167078662 /nfs/dbraw/zinc/07/86/62/167078662.db2.gz AKRXOKNMBPRNLU-VIFPVBQESA-N 1 0 200.282 1.263 50 0 BDAARO CC[NH+](CC)CCNc1cn[nH]c(=O)c1Cl ZINC000005728053 169781853 /nfs/dbraw/zinc/78/18/53/169781853.db2.gz MVBKXTUTHYDTKD-UHFFFAOYSA-N 1 0 244.726 1.177 50 0 BDAARO CC(C)OCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000097103539 167243445 /nfs/dbraw/zinc/24/34/45/167243445.db2.gz GMRBZZGAGXJJME-WDEREUQCSA-N 1 0 228.336 1.045 50 0 BDAARO CC[NH+](CC)[C@H](C)CNC(=O)NC1CC1 ZINC000040652883 169799201 /nfs/dbraw/zinc/79/92/01/169799201.db2.gz BFXUPIIJEILSLO-SECBINFHSA-N 1 0 213.325 1.178 50 0 BDAARO c1coc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000062257263 411206587 /nfs/dbraw/zinc/20/65/87/411206587.db2.gz FBGPLEXCQXZQIW-QMMMGPOBSA-N 1 0 219.244 1.797 50 0 BDAARO CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000121928819 167982373 /nfs/dbraw/zinc/98/23/73/167982373.db2.gz WMEITKWCKLAADZ-ZDCRXTMVSA-N 1 0 222.332 1.228 50 0 BDAARO CC1=C(C)[N+](=O)[C@]2(O)CCCC[C@@]2(C)N1O ZINC000013133384 168086304 /nfs/dbraw/zinc/08/63/04/168086304.db2.gz UFRVCKXTIFWVNH-MNOVXSKESA-N 1 0 227.284 1.743 50 0 BDAARO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCNC(=O)CC1 ZINC000191065649 168101579 /nfs/dbraw/zinc/10/15/79/168101579.db2.gz AWZQQFPZPBDSLH-CHWSQXEVSA-N 1 0 236.359 1.801 50 0 BDAARO CC1CC[NH+](CC(=O)NCc2ccco2)CC1 ZINC000002659251 168177185 /nfs/dbraw/zinc/17/71/85/168177185.db2.gz WZNKCZMZHOSACA-UHFFFAOYSA-N 1 0 236.315 1.628 50 0 BDAARO CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000057288790 168228742 /nfs/dbraw/zinc/22/87/42/168228742.db2.gz YNYSIYWOUWQNPG-UHFFFAOYSA-N 1 0 212.337 1.779 50 0 BDAARO CC[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000002641974 170122282 /nfs/dbraw/zinc/12/22/82/170122282.db2.gz VAMXYIQJRSFOGW-LBPRGKRZSA-N 1 0 239.315 1.182 50 0 BDAARO CC[NH2+][C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000065740986 170156985 /nfs/dbraw/zinc/15/69/85/170156985.db2.gz MJEMIOXXNCZZFK-MRVPVSSYSA-N 1 0 221.256 1.596 50 0 in-vitro BDAARO CCNc1nc(NC(C)(C)C)nc(NCC)[nH+]1 ZINC000005255979 170177208 /nfs/dbraw/zinc/17/72/08/170177208.db2.gz UBCBDPVUYWSIIT-UHFFFAOYSA-N 1 0 238.339 1.946 50 0 BDAARO CCOC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]2C1 ZINC000039240994 170280808 /nfs/dbraw/zinc/28/08/08/170280808.db2.gz ICWZXKPBSHGFEO-WDEREUQCSA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000038580844 170297171 /nfs/dbraw/zinc/29/71/71/170297171.db2.gz TYXUQIFEDKMRFK-CYBMUJFWSA-N 1 0 249.310 1.994 50 0 BDAARO CCOC(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC000038580815 170299130 /nfs/dbraw/zinc/29/91/30/170299130.db2.gz FSMDWXPZBAVXNG-GFCCVEGCSA-N 1 0 235.283 1.604 50 0 BDAARO CCOC(=O)c1csc([C@H]2CCC[NH2+]C2)n1 ZINC000075869735 170305415 /nfs/dbraw/zinc/30/54/15/170305415.db2.gz VOUJKGFWZIHNKX-QMMMGPOBSA-N 1 0 240.328 1.787 50 0 BDAARO CCOC(=O)c1sc([C@H](C)[NH3+])nc1C ZINC000011887485 170310835 /nfs/dbraw/zinc/31/08/35/170310835.db2.gz XWWBIXQHBFLETK-YFKPBYRVSA-N 1 0 214.290 1.648 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000069586754 170398202 /nfs/dbraw/zinc/39/82/02/170398202.db2.gz VGCSLPVCHNPVJF-NSHDSACASA-N 1 0 229.320 1.250 50 0 BDAARO CCOc1ccc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cn1 ZINC000097773141 170544408 /nfs/dbraw/zinc/54/44/08/170544408.db2.gz CZGUWXZXXMQVNT-QWHCGFSZSA-N 1 0 247.342 1.274 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000097228771 170863341 /nfs/dbraw/zinc/86/33/41/170863341.db2.gz CLAGLENTGADNRM-GFCCVEGCSA-N 1 0 246.310 1.881 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@@H](C)O1 ZINC000236920544 171066506 /nfs/dbraw/zinc/06/65/06/171066506.db2.gz ZJKDRENIGAOQQI-UTUOFQBUSA-N 1 0 242.363 1.386 50 0 BDAARO CC[C@@H]1C[N@H+](CC(C)C)CCN1CCOC ZINC000069817479 171075665 /nfs/dbraw/zinc/07/56/65/171075665.db2.gz OJGLILNDRKDKGE-CYBMUJFWSA-N 1 0 228.380 1.685 50 0 BDAARO CC[C@@](C)([NH2+]C)c1nnnn1-c1ccccc1 ZINC000020198708 171174956 /nfs/dbraw/zinc/17/49/56/171174956.db2.gz DBVMUJRSWFIKSF-GFCCVEGCSA-N 1 0 231.303 1.507 50 0 BDAARO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+](C)C ZINC000084718762 171233511 /nfs/dbraw/zinc/23/35/11/171233511.db2.gz KAIQBYOVFPSBLL-GFCCVEGCSA-N 1 0 236.315 1.974 50 0 BDAARO CC[C@H](C)Cc1nc2c(c(=O)[nH]1)CC[NH2+]C2 ZINC000077564981 171300154 /nfs/dbraw/zinc/30/01/54/171300154.db2.gz VFEKLTGPCGJAPA-QMMMGPOBSA-N 1 0 221.304 1.417 50 0 BDAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000011959410 171395058 /nfs/dbraw/zinc/39/50/58/171395058.db2.gz MKESPQQAONQWRL-CABZTGNLSA-N 1 0 238.306 1.815 50 0 BDAARO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000011959651 171396216 /nfs/dbraw/zinc/39/62/16/171396216.db2.gz MXMLKKMRAVCXGY-ONGXEEELSA-N 1 0 206.289 1.999 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000004837930 171450538 /nfs/dbraw/zinc/45/05/38/171450538.db2.gz TVBHEFDNRRBGAK-LLVKDONJSA-N 1 0 209.289 1.556 50 0 BDAARO CCc1ncc(CN2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000216229948 172016418 /nfs/dbraw/zinc/01/64/18/172016418.db2.gz AGRZVKFYENYRBV-CYBMUJFWSA-N 1 0 248.374 1.565 50 0 BDAARO CCn1cnnc1CC[NH2+]C1CCSCC1 ZINC000065373296 172234986 /nfs/dbraw/zinc/23/49/86/172234986.db2.gz CDZBTXOWUXKBPX-UHFFFAOYSA-N 1 0 240.376 1.326 50 0 BDAARO C[NH+](C)/C=C/C=C1\N=C(c2ccccc2)OC1=O ZINC000053224632 172351277 /nfs/dbraw/zinc/35/12/77/172351277.db2.gz CNYJWZYKUNFDSF-CQJQESKGSA-N 1 0 242.278 1.949 50 0 BDAARO CN(C)C(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000069780241 172364304 /nfs/dbraw/zinc/36/43/04/172364304.db2.gz OLNONOLUKLXKTR-UHFFFAOYSA-N 1 0 210.321 1.482 50 0 BDAARO CN(C[C@@H]1CCC[NH2+]1)CC1CCOCC1 ZINC000042783468 172662675 /nfs/dbraw/zinc/66/26/75/172662675.db2.gz VUZSRWXVKPAUAR-LBPRGKRZSA-N 1 0 212.337 1.097 50 0 BDAARO CN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545921 172781570 /nfs/dbraw/zinc/78/15/70/172781570.db2.gz LOKZOPRYOQTDRM-KGLIPLIRSA-N 1 0 246.354 1.815 50 0 BDAARO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717625 172868318 /nfs/dbraw/zinc/86/83/18/172868318.db2.gz LSJREFUWPCHFTG-ZDUSSCGKSA-N 1 0 232.327 1.645 50 0 BDAARO C[NH+]1CCC(CNC(=O)Nc2ccccn2)CC1 ZINC000058332557 172985504 /nfs/dbraw/zinc/98/55/04/172985504.db2.gz YOBCLEXBSWGYBT-UHFFFAOYSA-N 1 0 248.330 1.545 50 0 BDAARO CN1CCC[N@H+](CCSC(C)(C)C)CC1=O ZINC000252490536 173014310 /nfs/dbraw/zinc/01/43/10/173014310.db2.gz KWPSXQFIFJJPNM-UHFFFAOYSA-N 1 0 244.404 1.682 50 0 BDAARO C[N@@H+]1CCC[C@@H](c2nccnc2Cl)C1 ZINC000072343823 173022570 /nfs/dbraw/zinc/02/25/70/173022570.db2.gz NOSOUFQZPBHRCO-MRVPVSSYSA-N 1 0 211.696 1.939 50 0 BDAARO CN1CC[N@H+](CC(C)(C)C)C[C@H]1CCO ZINC000039388152 173079522 /nfs/dbraw/zinc/07/95/22/173079522.db2.gz VMFPXZVWNRJRJR-LLVKDONJSA-N 1 0 214.353 1.031 50 0 BDAARO C[NH+]1CCN(CCOc2ccc(F)cc2)CC1 ZINC000041280375 173082506 /nfs/dbraw/zinc/08/25/06/173082506.db2.gz RQGWTYCVNTXLPZ-UHFFFAOYSA-N 1 0 238.306 1.452 50 0 BDAARO C[NH+]1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000022454262 173087111 /nfs/dbraw/zinc/08/71/11/173087111.db2.gz MYLAKVPHJIRVHM-UHFFFAOYSA-N 1 0 226.270 1.712 50 0 BDAARO C[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000065564230 173087857 /nfs/dbraw/zinc/08/78/57/173087857.db2.gz IWIPGNYFUSEYRJ-UHFFFAOYSA-N 1 0 226.270 1.712 50 0 BDAARO C[NH+]1CCN(Cc2ccc(F)cc2F)CC1 ZINC000019536624 173087908 /nfs/dbraw/zinc/08/79/08/173087908.db2.gz JPYWEAHUWCLMEX-UHFFFAOYSA-N 1 0 226.270 1.712 50 0 BDAARO C[NH+]1CCN(Cc2cccc(C(N)=S)c2)CC1 ZINC000019488998 173088398 /nfs/dbraw/zinc/08/83/98/173088398.db2.gz DAFBOISKPAWZSJ-UHFFFAOYSA-N 1 0 249.383 1.068 50 0 BDAARO CN(C)C(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000064541805 173169137 /nfs/dbraw/zinc/16/91/37/173169137.db2.gz QVVRDMSXKRIRIY-UHFFFAOYSA-N 1 0 218.300 1.376 50 0 BDAARO CN1C[C@@H]([NH2+]C2CCSCC2)CCC1=O ZINC000077900586 173187133 /nfs/dbraw/zinc/18/71/33/173187133.db2.gz AAZIEGHYXZOLPH-JTQLQIEISA-N 1 0 228.361 1.092 50 0 BDAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064552832 173298383 /nfs/dbraw/zinc/29/83/83/173298383.db2.gz MWBTYTJVRKXJOH-SNVBAGLBSA-N 1 0 238.356 1.706 50 0 BDAARO C[NH2+]C1CCN(C(=O)c2ccc(C)nc2C)CC1 ZINC000055329922 173323402 /nfs/dbraw/zinc/32/34/02/173323402.db2.gz JPIKXSZBJVNCHS-UHFFFAOYSA-N 1 0 247.342 1.522 50 0 BDAARO C[NH2+]CC(=O)Nc1ccc2oc(C)nc2c1 ZINC000040832707 173333555 /nfs/dbraw/zinc/33/35/55/173333555.db2.gz DIXUCQXOENVNDN-UHFFFAOYSA-N 1 0 219.244 1.294 50 0 BDAARO C[NH2+]CCCNC(=O)Cc1cc(C)ccc1C ZINC000053142018 173348329 /nfs/dbraw/zinc/34/83/29/173348329.db2.gz DRVWPJYFTYVVGS-UHFFFAOYSA-N 1 0 234.343 1.572 50 0 BDAARO C[NH2+]C[C@@H](C)C(=O)NCCc1cccc(C)c1 ZINC000082249516 173362785 /nfs/dbraw/zinc/36/27/85/173362785.db2.gz ZLMODDIBBBWJJQ-GFCCVEGCSA-N 1 0 234.343 1.509 50 0 BDAARO C[NH2+]C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000034973277 173365817 /nfs/dbraw/zinc/36/58/17/173365817.db2.gz QOFDCMFILIISMU-SECBINFHSA-N 1 0 249.232 1.665 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C)c1 ZINC000122617966 173368901 /nfs/dbraw/zinc/36/89/01/173368901.db2.gz RMILOXNNWHVXHL-ZDUSSCGKSA-N 1 0 232.327 1.819 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(C)cc1 ZINC000211625155 173369316 /nfs/dbraw/zinc/36/93/16/173369316.db2.gz YZRFXMJLGRRODO-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]C[C@H](C)CNC(=O)C1CCCCCC1 ZINC000132677172 173375227 /nfs/dbraw/zinc/37/52/27/173375227.db2.gz KAYRZYQGISJPLF-NSHDSACASA-N 1 0 226.364 1.929 50 0 BDAARO C[NH2+]Cc1ccc(-c2nnc(C)o2)cc1 ZINC000014989047 173388142 /nfs/dbraw/zinc/38/81/42/173388142.db2.gz PBJZWGQLXKZEJT-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO C[NH2+]Cc1cnc(-c2cccs2)nc1 ZINC000012370792 173392660 /nfs/dbraw/zinc/39/26/60/173392660.db2.gz VZHVJAYQGDCZAB-UHFFFAOYSA-N 1 0 205.286 1.925 50 0 BDAARO COC(=O)CCOCC[C@@H]1CCCC[NH2+]1 ZINC000042774325 173565088 /nfs/dbraw/zinc/56/50/88/173565088.db2.gz BPORNBSHDCUEEK-JTQLQIEISA-N 1 0 215.293 1.098 50 0 BDAARO COC(=O)C[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000004859904 173627132 /nfs/dbraw/zinc/62/71/32/173627132.db2.gz MLCSAVAZPSLPIN-MWLCHTKSSA-N 1 0 207.273 1.681 50 0 BDAARO COC1CC[NH+](C2(CN)CCCC2)CC1 ZINC000037265964 174027816 /nfs/dbraw/zinc/02/78/16/174027816.db2.gz YKFGSRMKTUZEOE-UHFFFAOYSA-N 1 0 212.337 1.369 50 0 BDAARO COCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000045444026 174051067 /nfs/dbraw/zinc/05/10/67/174051067.db2.gz ROAUNBCKQFCZEN-JTQLQIEISA-N 1 0 242.344 1.113 50 0 BDAARO COCCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000051588771 174218263 /nfs/dbraw/zinc/21/82/63/174218263.db2.gz HVUPQILWJSHBRJ-UHFFFAOYSA-N 1 0 237.299 1.884 50 0 BDAARO COCCC[C@]1(CO)CCC[N@H+](CCOC)C1 ZINC000091493672 174264857 /nfs/dbraw/zinc/26/48/57/174264857.db2.gz MQSKXBGEWZUCRQ-CYBMUJFWSA-N 1 0 245.363 1.134 50 0 BDAARO COCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097202925 174305437 /nfs/dbraw/zinc/30/54/37/174305437.db2.gz FNMRJRBVOAQHHO-UHFFFAOYSA-N 1 0 209.293 1.236 50 0 BDAARO COCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1 ZINC000026931641 174306410 /nfs/dbraw/zinc/30/64/10/174306410.db2.gz VMOFKUZZBVIEOA-CYBMUJFWSA-N 1 0 248.326 1.736 50 0 BDAARO COCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200613 174315239 /nfs/dbraw/zinc/31/52/39/174315239.db2.gz OYAIVJGOSSSHJC-GFCCVEGCSA-N 1 0 235.331 1.462 50 0 BDAARO COCCNC(=O)C[N@H+](C)C1CCCCC1 ZINC000048613644 174320505 /nfs/dbraw/zinc/32/05/05/174320505.db2.gz QLCFQUFVMQEMFA-UHFFFAOYSA-N 1 0 228.336 1.014 50 0 BDAARO COCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000237296283 174332862 /nfs/dbraw/zinc/33/28/62/174332862.db2.gz ULZBLAOVQLIGPQ-NWDGAFQWSA-N 1 0 242.363 1.165 50 0 BDAARO COCC[NH2+]CCOc1ccccc1OC ZINC000002932005 174333429 /nfs/dbraw/zinc/33/34/29/174333429.db2.gz PPAJFWRBRUWOPG-UHFFFAOYSA-N 1 0 225.288 1.310 50 0 BDAARO COCC[NH2+]Cc1cc(F)ccc1F ZINC000037228230 174334537 /nfs/dbraw/zinc/33/45/37/174334537.db2.gz NHYISYRTWIPGOB-UHFFFAOYSA-N 1 0 201.216 1.701 50 0 BDAARO COCCOCCCOc1ccc(C[NH3+])cc1 ZINC000037050932 174351019 /nfs/dbraw/zinc/35/10/19/174351019.db2.gz UPEZWOHZNBQSAX-UHFFFAOYSA-N 1 0 239.315 1.577 50 0 BDAARO COC[C@H](C)Oc1cc(C)ccc1C[NH3+] ZINC000069734854 174554233 /nfs/dbraw/zinc/55/42/33/174554233.db2.gz PJEIIEALXLFSSG-JTQLQIEISA-N 1 0 209.289 1.867 50 0 BDAARO COC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000090182126 174584808 /nfs/dbraw/zinc/58/48/08/174584808.db2.gz SJNIRGLWSDIWDS-PWSUYJOCSA-N 1 0 240.347 1.010 50 0 BDAARO COC[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000108115505 174599492 /nfs/dbraw/zinc/59/94/92/174599492.db2.gz LLJQEETWRSFNIQ-SUHUHFCYSA-N 1 0 235.327 1.517 50 0 BDAARO COc1cc(OC)c(OC)cc1CC[C@H](C)[NH3+] ZINC000000517155 175006997 /nfs/dbraw/zinc/00/69/97/175006997.db2.gz PDUFRZLKPVMEJH-VIFPVBQESA-N 1 0 239.315 1.992 50 0 biogenic BDAARO COc1ccc(C(=O)CN2CCCC2=[NH2+])cc1 ZINC000005526868 175053553 /nfs/dbraw/zinc/05/35/53/175053553.db2.gz OYPWGOFLXSIPPA-UHFFFAOYSA-N 1 0 232.283 1.951 50 0 BDAARO COc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000019359538 175099948 /nfs/dbraw/zinc/09/99/48/175099948.db2.gz VRBZXMTXVNIWQC-UHFFFAOYSA-N 1 0 220.316 1.443 50 0 BDAARO COc1ccc(CO[C@H]2CC[NH2+]C2)cc1 ZINC000048895439 175114071 /nfs/dbraw/zinc/11/40/71/175114071.db2.gz NWRUVYODKGRQQN-LBPRGKRZSA-N 1 0 207.273 1.574 50 0 BDAARO COc1ccc(Cl)cc1C[NH2+]CCCO ZINC000035180039 175120467 /nfs/dbraw/zinc/12/04/67/175120467.db2.gz QZOBTZDWNBKUIR-UHFFFAOYSA-N 1 0 229.707 1.821 50 0 BDAARO COc1ccc(OC)c2[nH]c(=O)c(CC[NH3+])cc12 ZINC000011980475 175169889 /nfs/dbraw/zinc/16/98/89/175169889.db2.gz DVWOTBZYQNGVBD-UHFFFAOYSA-N 1 0 248.282 1.047 50 0 BDAARO COc1ccc2[nH]c([C@H]3CC[NH2+]C3)nc2c1 ZINC000070633532 175229585 /nfs/dbraw/zinc/22/95/85/175229585.db2.gz FRQIDVPLXRHXHK-QMMMGPOBSA-N 1 0 217.272 1.648 50 0 biogenic,in-vitro BDAARO COc1cccc(C(=O)CC[NH+](C)C)c1 ZINC000001571718 175242703 /nfs/dbraw/zinc/24/27/03/175242703.db2.gz PQEWAERVBUCIQJ-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 BDAARO COc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000000200825 175258875 /nfs/dbraw/zinc/25/88/75/175258875.db2.gz IUUQVCIOVSXWMF-GFCCVEGCSA-N 1 0 221.300 1.652 50 0 BDAARO COc1cccc(N2CC[C@H](C[NH3+])C2)c1 ZINC000011891662 175275914 /nfs/dbraw/zinc/27/59/14/175275914.db2.gz IVKRKJIBAHHXRF-SNVBAGLBSA-N 1 0 206.289 1.480 50 0 BDAARO COc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000097092541 175277315 /nfs/dbraw/zinc/27/73/15/175277315.db2.gz UUCJWBLAOLUTBJ-UWVGGRQHSA-N 1 0 234.299 1.761 50 0 BDAARO COc1cccc([C@H](C[NH3+])N2CCCC2)c1 ZINC000032497032 175294236 /nfs/dbraw/zinc/29/42/36/175294236.db2.gz SNAJCUMTTLXNCP-ZDUSSCGKSA-N 1 0 220.316 1.791 50 0 BDAARO CSCC[C@@H]([NH3+])c1nnc2ccccn21 ZINC000004218866 175503744 /nfs/dbraw/zinc/50/37/44/175503744.db2.gz UWRILAHKMPTJPB-MRVPVSSYSA-N 1 0 222.317 1.482 50 0 BDAARO C[C@@H](c1ccncc1)N1CCC([NH3+])CC1 ZINC000020521509 176035994 /nfs/dbraw/zinc/03/59/94/176035994.db2.gz BSKFVHPAVOWLBA-JTQLQIEISA-N 1 0 205.305 1.566 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000019411038 176068047 /nfs/dbraw/zinc/06/80/47/176068047.db2.gz DCHRCMONPYHVGY-MNOVXSKESA-N 1 0 210.321 1.530 50 0 BDAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccoc2)C1 ZINC000046879235 176097744 /nfs/dbraw/zinc/09/77/44/176097744.db2.gz CZJUIYSPKQIAEM-LLVKDONJSA-N 1 0 236.315 1.741 50 0 BDAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CCOCCO)[C@@H]12 ZINC000222071508 176133216 /nfs/dbraw/zinc/13/32/16/176133216.db2.gz DIQSSKRPKSIJJD-MCIONIFRSA-N 1 0 241.375 1.896 50 0 BDAARO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1ccncc1 ZINC000069771949 176196883 /nfs/dbraw/zinc/19/68/83/176196883.db2.gz ZKWVYCKUMQPJEW-DGCLKSJQSA-N 1 0 247.342 1.210 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C/c2ccccc2F)CC[NH2+]1 ZINC000328596383 176241431 /nfs/dbraw/zinc/24/14/31/176241431.db2.gz MBRLGHXUKIQROR-XUIVZRPNSA-N 1 0 248.301 1.659 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000032915040 176253268 /nfs/dbraw/zinc/25/32/68/176253268.db2.gz DUBXUUPBIKNFEA-SFYZADRCSA-N 1 0 200.282 1.201 50 0 BDAARO C[C@@H]1CN(CC[NH3+])Cc2ccccc2O1 ZINC000299765357 176291349 /nfs/dbraw/zinc/29/13/49/176291349.db2.gz AGOHWNHZCFMKAG-SNVBAGLBSA-N 1 0 206.289 1.228 50 0 BDAARO C[C@@H]1C[N@H+](CCSC(C)(C)C)C[C@H](CO)O1 ZINC000252499601 176291891 /nfs/dbraw/zinc/29/18/91/176291891.db2.gz SCQRQNCCJODTPG-GHMZBOCLSA-N 1 0 247.404 1.600 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000229385040 176386317 /nfs/dbraw/zinc/38/63/17/176386317.db2.gz XBIRKIVJDHTDAJ-KXNHARMFSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)OC(C)(C)C ZINC000032915031 176459139 /nfs/dbraw/zinc/45/91/39/176459139.db2.gz FBYZKXFNBXLZDN-DTWKUNHWSA-N 1 0 214.309 1.652 50 0 BDAARO C[C@H](CO)[NH2+]CCN1CCc2ccccc21 ZINC000065397425 176705846 /nfs/dbraw/zinc/70/58/46/176705846.db2.gz ZKCSWUCSLTZIPF-LLVKDONJSA-N 1 0 220.316 1.020 50 0 BDAARO C[C@H](CO)SCCC[NH+]1CCCCC1 ZINC000170604481 176708159 /nfs/dbraw/zinc/70/81/59/176708159.db2.gz FCUYLBRVZWVLBU-LLVKDONJSA-N 1 0 217.378 1.976 50 0 BDAARO C[C@H]([NH3+])C(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000154735010 176748149 /nfs/dbraw/zinc/74/81/49/176748149.db2.gz XZVQHRQGOCHBGS-MNOVXSKESA-N 1 0 247.342 1.453 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1ccnn1C1CCCCC1 ZINC000097019077 176753061 /nfs/dbraw/zinc/75/30/61/176753061.db2.gz MLPSZZIDDPCYNS-VIFPVBQESA-N 1 0 236.319 1.674 50 0 BDAARO C[C@H](Oc1ccc(F)cc1)[C@@H](O)CC[NH+](C)C ZINC000005662447 177023248 /nfs/dbraw/zinc/02/32/48/177023248.db2.gz PAJIAAWOFBIJMM-GWCFXTLKSA-N 1 0 241.306 1.906 50 0 BDAARO C[C@H](c1ccccn1)N(C)CC(=O)N(C)C ZINC000095955082 177042653 /nfs/dbraw/zinc/04/26/53/177042653.db2.gz MCNPBQDCQSCOJA-SNVBAGLBSA-N 1 0 221.304 1.163 50 0 BDAARO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCCO)C1 ZINC000084686138 177063945 /nfs/dbraw/zinc/06/39/45/177063945.db2.gz VEQYPHJTDIRONH-AAEUAGOBSA-N 1 0 229.364 1.536 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccn1 ZINC000046858799 177075861 /nfs/dbraw/zinc/07/58/61/177075861.db2.gz SEEABSCYBGLKEE-LBPRGKRZSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@H]1CCCC[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000097096380 177082915 /nfs/dbraw/zinc/08/29/15/177082915.db2.gz XFWBBLBDEJZYHJ-RYUDHWBXSA-N 1 0 247.404 1.980 50 0 BDAARO C[C@H]1CCCC[C@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000032777673 177086861 /nfs/dbraw/zinc/08/68/61/177086861.db2.gz ZHAZFLOPOPVTSD-VHSXEESVSA-N 1 0 241.335 1.082 50 0 BDAARO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)CS(C)(=O)=O ZINC000097096363 177088959 /nfs/dbraw/zinc/08/89/59/177088959.db2.gz YIDWPHQPNRAACC-GRYCIOLGSA-N 1 0 247.404 1.835 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccsc2)[C@@H]1C[NH3+] ZINC000069726132 177095365 /nfs/dbraw/zinc/09/53/65/177095365.db2.gz KBAZJDVDNLAWNF-GXSJLCMTSA-N 1 0 238.356 1.948 50 0 BDAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000040473157 177095839 /nfs/dbraw/zinc/09/58/39/177095839.db2.gz NEZMQXBGNRZNFF-STQMWFEESA-N 1 0 238.375 1.977 50 0 BDAARO C[C@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000014193733 177096905 /nfs/dbraw/zinc/09/69/05/177096905.db2.gz KAZUEJVJKUDNMB-NSHDSACASA-N 1 0 236.315 1.628 50 0 BDAARO C[C@H]1CCC[N@H+](CCNCc2cncn2C)C1 ZINC000237501940 177098420 /nfs/dbraw/zinc/09/84/20/177098420.db2.gz MZTIGFJXSIXSOX-LBPRGKRZSA-N 1 0 236.363 1.242 50 0 BDAARO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592964 177165792 /nfs/dbraw/zinc/16/57/92/177165792.db2.gz UMKXOVBYIBQJBM-AAEUAGOBSA-N 1 0 204.317 1.856 50 0 BDAARO C[C@H]1CC[C@@H]([NH2+]C(C)(C)CCS(C)(=O)=O)C1 ZINC000095988372 177193628 /nfs/dbraw/zinc/19/36/28/177193628.db2.gz YZMUYQYDERYUQJ-WDEREUQCSA-N 1 0 247.404 1.978 50 0 BDAARO C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000076051038 177211881 /nfs/dbraw/zinc/21/18/81/177211881.db2.gz TUFQDSFFIVZTOA-UWVGGRQHSA-N 1 0 212.337 1.441 50 0 BDAARO C[C@H]1CN(C(=O)CC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000237584081 177214960 /nfs/dbraw/zinc/21/49/60/177214960.db2.gz WYZKQAIULGZMIN-WCQYABFASA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000019512997 177223775 /nfs/dbraw/zinc/22/37/75/177223775.db2.gz HJMJZDVMWMDIGL-NTZNESFSSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@H]1CN(Cc2cccc(C[NH3+])c2)CCO1 ZINC000022220233 177264225 /nfs/dbraw/zinc/26/42/25/177264225.db2.gz QEQIEYOHDKYEOM-NSHDSACASA-N 1 0 220.316 1.366 50 0 BDAARO C[C@H]1C[NH2+]CCCN1C(=O)OC(C)(C)C ZINC000044136953 177281454 /nfs/dbraw/zinc/28/14/54/177281454.db2.gz FPUHWSHGYILARO-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO C[C@H]1C[NH2+]CCN1CCOc1ccccc1F ZINC000054372969 177284197 /nfs/dbraw/zinc/28/41/97/177284197.db2.gz VTBJEXZMBUWNCI-NSHDSACASA-N 1 0 238.306 1.498 50 0 BDAARO C[C@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000170598369 177375586 /nfs/dbraw/zinc/37/55/86/177375586.db2.gz GWRPHVZPFJVKQR-GXSJLCMTSA-N 1 0 210.321 1.195 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CCC[C@@H]([NH3+])C2)o1 ZINC000255557655 322934289 /nfs/dbraw/zinc/93/42/89/322934289.db2.gz CIOOIYIWTMLLDD-JMEBYUIHSA-N 1 0 234.299 1.551 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccnc2ccccc21 ZINC000071781430 487802848 /nfs/dbraw/zinc/80/28/48/487802848.db2.gz VOHHTMMJVZHPAJ-UHFFFAOYSA-N 1 0 243.310 1.526 50 0 BDAARO NC(=O)C1CC[NH+](CC2CCCC2)CC1 ZINC000078452114 487850166 /nfs/dbraw/zinc/85/01/66/487850166.db2.gz OLNITFCTRUCFKW-UHFFFAOYSA-N 1 0 210.321 1.374 50 0 BDAARO Cc1cc(C)c(CNC(=O)[C@H]2C=CC[NH2+]2)c(C)c1 ZINC000534631127 323156807 /nfs/dbraw/zinc/15/68/07/323156807.db2.gz BNRAILBVWJBKDW-CQSZACIVSA-N 1 0 244.338 1.756 50 0 BDAARO CCc1ccc(C(=O)NC(C)(C)C[NH+](C)C)[nH]1 ZINC000534673616 323158973 /nfs/dbraw/zinc/15/89/73/323158973.db2.gz YGIRCUGDEBNGSZ-UHFFFAOYSA-N 1 0 237.347 1.647 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1cc(F)ccc1F ZINC000037228292 323235729 /nfs/dbraw/zinc/23/57/29/323235729.db2.gz SMUTVZQENNXIKA-JTQLQIEISA-N 1 0 229.226 1.918 50 0 BDAARO Cc1csc(SCC2(O)CC[NH2+]CC2)n1 ZINC000087969902 323237261 /nfs/dbraw/zinc/23/72/61/323237261.db2.gz UBNKJVJSKAPVHC-UHFFFAOYSA-N 1 0 244.385 1.658 50 0 BDAARO Cc1cc(C[N@@H+](C)CC2(CO)CCCC2)[nH]n1 ZINC000670434155 487485425 /nfs/dbraw/zinc/48/54/25/487485425.db2.gz BPMSMYXTCAIOSY-UHFFFAOYSA-N 1 0 237.347 1.703 50 0 BDAARO COCCC1CC[NH+](CCc2ncc[nH]2)CC1 ZINC000670441120 487489274 /nfs/dbraw/zinc/48/92/74/487489274.db2.gz GSTNSKAQYIKXPM-UHFFFAOYSA-N 1 0 237.347 1.701 50 0 BDAARO Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1C ZINC000097032517 490303541 /nfs/dbraw/zinc/30/35/41/490303541.db2.gz HJSHWGNPOAAQTM-ZDUSSCGKSA-N 1 0 232.327 1.611 50 0 BDAARO CC1(C)C[N@H+](CC2CC(F)(F)C2)C[C@@H]1O ZINC000335596289 491124567 /nfs/dbraw/zinc/12/45/67/491124567.db2.gz ILYXTKFQWKVURI-VIFPVBQESA-N 1 0 219.275 1.734 50 0 BDAARO CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COC)C1(C)C ZINC000127043418 491132125 /nfs/dbraw/zinc/13/21/25/491132125.db2.gz OSTWVPVNCLPQQW-IJLUTSLNSA-N 1 0 245.363 1.129 50 0 BDAARO C/C=C/C=C\C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000252477492 518515554 /nfs/dbraw/zinc/51/55/54/518515554.db2.gz PECHLAUPQHIOCE-QMWPMXKXSA-N 1 0 222.332 1.670 50 0 BDAARO C[C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1[NH+](C)C ZINC000078895848 582827562 /nfs/dbraw/zinc/82/75/62/582827562.db2.gz ODVNGWGJCRIVFP-PWSUYJOCSA-N 1 0 238.331 1.089 50 0 BDAARO C[NH2+]CC(=O)N1CCO[C@H](c2ccccc2C)C1 ZINC000083889172 521960380 /nfs/dbraw/zinc/96/03/80/521960380.db2.gz YPKDDPIPHMJRLY-ZDUSSCGKSA-N 1 0 248.326 1.114 50 0 BDAARO CN(CC1CC[NH+](C)CC1)C(=O)NCC1CC1 ZINC000069587045 522657719 /nfs/dbraw/zinc/65/77/19/522657719.db2.gz JAAWHQFTLWPBAF-UHFFFAOYSA-N 1 0 239.363 1.380 50 0 BDAARO CC[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CCOC1 ZINC000242100063 522753573 /nfs/dbraw/zinc/75/35/73/522753573.db2.gz WECVSHNSFICIFE-OBJOEFQTSA-N 1 0 238.375 1.628 50 0 BDAARO COCc1ccccc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179070213 523087022 /nfs/dbraw/zinc/08/70/22/523087022.db2.gz ZVQSPOOELNVQPR-LBPRGKRZSA-N 1 0 248.326 1.267 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)c1cc(Cl)cn1C ZINC000179203145 524583976 /nfs/dbraw/zinc/58/39/76/524583976.db2.gz XTZCLEIDRVMGOI-ZETCQYMHSA-N 1 0 229.711 1.098 50 0 BDAARO C[C@@H](CNC(=O)C[C@@H]1C=CCC1)[NH+]1CCCC1 ZINC000040522491 524655825 /nfs/dbraw/zinc/65/58/25/524655825.db2.gz UCXVEDAACSCKLL-QWHCGFSZSA-N 1 0 236.359 1.943 50 0 BDAARO COc1cccc(CC[NH2+]Cc2cnn(C)c2)c1 ZINC000012398275 525900815 /nfs/dbraw/zinc/90/08/15/525900815.db2.gz QUDYNIMUWXJAAX-UHFFFAOYSA-N 1 0 245.326 1.761 50 0 BDAARO COc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000221160900 526019620 /nfs/dbraw/zinc/01/96/20/526019620.db2.gz DXHZYCMQNLVEHM-ZDUSSCGKSA-N 1 0 234.343 1.879 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cnn(C)c2)c1 ZINC000069510173 526264469 /nfs/dbraw/zinc/26/44/69/526264469.db2.gz NVCCJZDFRQVMMU-NSHDSACASA-N 1 0 233.319 1.103 50 0 BDAARO O[C@@H]1C2C[C@@H]3C[N@H+]1C[C@H](C2)C31SCCS1 ZINC000012341491 527667913 /nfs/dbraw/zinc/66/79/13/527667913.db2.gz BXSFXQGZHZRCBE-FWKUWYBHSA-N 1 0 243.397 1.453 50 0 BDAARO CC[NH+]1CCN(c2ccc(Cl)nn2)CC1 ZINC000015829894 535746022 /nfs/dbraw/zinc/74/60/22/535746022.db2.gz LCEFLTGFZFWPFV-UHFFFAOYSA-N 1 0 226.711 1.272 50 0 BDAARO CN1c2ccccc2C(=O)NC12CC[NH+](C)CC2 ZINC000032666147 536347002 /nfs/dbraw/zinc/34/70/02/536347002.db2.gz HSSXAYQETBKDGQ-UHFFFAOYSA-N 1 0 245.326 1.288 50 0 BDAARO c1ccc(-c2nc(CC[C@@H]3CCC[NH2+]3)no2)nc1 ZINC000096894973 537904070 /nfs/dbraw/zinc/90/40/70/537904070.db2.gz HBXNPMYYEICAFX-JTQLQIEISA-N 1 0 244.298 1.816 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@H]1NCCC[C@H]1[NH3+] ZINC000757216222 582561840 /nfs/dbraw/zinc/56/18/40/582561840.db2.gz ZCHFYUIOTSZBTK-DGCLKSJQSA-N 1 0 230.315 1.623 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+][C@@H](CN)C1 ZINC000757210058 586438483 /nfs/dbraw/zinc/43/84/83/586438483.db2.gz HTIRUOIHYRTFRP-WDEREUQCSA-N 1 0 244.342 1.666 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000020221786 590089679 /nfs/dbraw/zinc/08/96/79/590089679.db2.gz ORIKFZRVWPCELV-MRVPVSSYSA-N 1 0 228.089 1.711 50 0 BDAARO O=c1cc(C[NH2+]CCCO)c2ccccc2[nH]1 ZINC000008619740 591818720 /nfs/dbraw/zinc/81/87/20/591818720.db2.gz JTYAUFOGOOURMU-UHFFFAOYSA-N 1 0 232.283 1.412 50 0 BDAARO CC[N@H+](C)CCCN(C)Cc1snnc1C ZINC000299778012 634391400 /nfs/dbraw/zinc/39/14/00/634391400.db2.gz FIKGTZRUHHQOPX-UHFFFAOYSA-N 1 0 242.392 1.620 50 0 BDAARO [NH3+][C@H](C1CCC1)C1(O)CC(CF)(CF)C1 ZINC000958528584 635550638 /nfs/dbraw/zinc/55/06/38/635550638.db2.gz VSUXPYMZIGUWCR-SECBINFHSA-N 1 0 219.275 1.564 50 0 BDAARO CCCC[NH2+][C@H](O)COc1ccccc1 ZINC000002900558 631963920 /nfs/dbraw/zinc/96/39/20/631963920.db2.gz OTURUNIUJSKFDD-GFCCVEGCSA-N 1 0 209.289 1.774 50 0 BDAARO FC(F)(F)[C@@H]1CC[C@H]([C@H]2CCC[NH2+]C2)CN1 ZINC000309327508 632943030 /nfs/dbraw/zinc/94/30/30/632943030.db2.gz SJXIBZJDOXHFOZ-GUBZILKMSA-N 1 0 236.281 1.917 50 0 BDAARO c1ccc([C@@H]2NCC[N@@H+]3CCC[C@@H]23)cc1 ZINC000022028893 635231292 /nfs/dbraw/zinc/23/12/92/635231292.db2.gz WLVJVWZEFAATBB-STQMWFEESA-N 1 0 202.301 1.795 50 0 BDAARO Cc1cc2c(ncn(CC[NH+](C)C)c2=O)s1 ZINC000032511684 641340783 /nfs/dbraw/zinc/34/07/83/641340783.db2.gz AYPRBXGCYQUULW-UHFFFAOYSA-N 1 0 237.328 1.328 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(-c3cncnc3)cc(F)c2O1 ZINC000067867918 642716072 /nfs/dbraw/zinc/71/60/72/642716072.db2.gz DPNDDRVXPMBSOR-LLVKDONJSA-N 1 0 245.257 1.545 50 0 BDAARO CC(C)c1nccn1CCC[NH2+][C@H]1CCOC1 ZINC000952966114 644445218 /nfs/dbraw/zinc/44/52/18/644445218.db2.gz HTYRXULMOOCHQP-LBPRGKRZSA-N 1 0 237.347 1.775 50 0 BDAARO CSc1ncc(C[NH2+][C@@H]2CCOC2)n1C ZINC000952983858 644449399 /nfs/dbraw/zinc/44/93/99/644449399.db2.gz YEOAXFHAONUIIR-MRVPVSSYSA-N 1 0 227.333 1.021 50 0 BDAARO COCC1(C[NH2+]Cc2cccnc2N)CCC1 ZINC000952982416 644449531 /nfs/dbraw/zinc/44/95/31/644449531.db2.gz WYOKHEBXOWSRFL-UHFFFAOYSA-N 1 0 235.331 1.570 50 0 BDAARO [NH3+][C@@H](C1CCOCC1)C1(O)CC(CF)(CF)C1 ZINC000958528162 644806638 /nfs/dbraw/zinc/80/66/38/644806638.db2.gz MYNZBPNBQAGHBU-JTQLQIEISA-N 1 0 249.301 1.191 50 0 BDAARO C[C@H]1CN(C(=N)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000725325681 710755558 /nfs/dbraw/zinc/75/55/58/710755558.db2.gz AGDWXLMFJKFXKD-WDSKDSINSA-N 1 0 209.215 1.208 50 0 BDAARO CCC[N@@H+]1CC[C@H](Nc2ncnc3nc[nH]c32)C1 ZINC000389190998 711071758 /nfs/dbraw/zinc/07/17/58/711071758.db2.gz VBVIRAMVZLMMKL-VIFPVBQESA-N 1 0 246.318 1.249 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@@H](CN)[NH2+]C1 ZINC000757213857 712583171 /nfs/dbraw/zinc/58/31/71/712583171.db2.gz RHINYONIMYGJGS-JQWIXIFHSA-N 1 0 244.342 1.666 50 0 BDAARO CN(C)c1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccn1 ZINC000828627091 712685467 /nfs/dbraw/zinc/68/54/67/712685467.db2.gz SPRCVGDRABNUQT-STQMWFEESA-N 1 0 249.358 1.541 50 0 BDAARO CC(C)=CCN1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000820542323 968476423 /nfs/dbraw/zinc/47/64/23/968476423.db2.gz VTPWUKKQRVQJSL-KBPBESRZSA-N 1 0 238.375 1.484 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCCC[NH2+][C@H]21 ZINC000950756082 974040443 /nfs/dbraw/zinc/04/04/43/974040443.db2.gz KLSOXZVGCGFOFI-IVZWLZJFSA-N 1 0 226.320 1.652 50 0 BDAARO CCSCC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000585116938 972147113 /nfs/dbraw/zinc/14/71/13/972147113.db2.gz MTZWSNJXBDXZGM-KXUCPTDWSA-N 1 0 230.377 1.337 50 0 BDAARO O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[NH2+]CC1 ZINC000019441275 960482605 /nfs/dbraw/zinc/48/26/05/960482605.db2.gz CJZMSIJFYRHLBL-GRYCIOLGSA-N 1 0 220.316 1.021 50 0 BDAARO NC(=O)CC1CC[NH+](CC[C@H]2CC2(F)F)CC1 ZINC000826835023 968677989 /nfs/dbraw/zinc/67/79/89/968677989.db2.gz CGBOXZWWMPMXFR-JTQLQIEISA-N 1 0 246.301 1.619 50 0 BDAARO C[N@H+](Cc1cccc2nonc21)CC(C)(C)CO ZINC000828655334 968798053 /nfs/dbraw/zinc/79/80/53/968798053.db2.gz BHEQGLXFJMIWKW-UHFFFAOYSA-N 1 0 249.314 1.673 50 0 BDAARO CC[C@H](C)[N@H+](C)C[C@@H]1CC(=O)N(CC)C1 ZINC000200584363 970127670 /nfs/dbraw/zinc/12/76/70/970127670.db2.gz NSLXZJVCPZPVEN-QWRGUYRKSA-N 1 0 212.337 1.585 50 0 BDAARO C[N@H+](C[C@@H]1CCCO1)C1CSCCSC1 ZINC001506414200 988776787 /nfs/dbraw/zinc/77/67/87/988776787.db2.gz WQTXPONDBUWQBT-NSHDSACASA-N 1 0 247.429 1.946 50 0 BDAARO C=Cc1ccc(N2CC[N@@H+](C)[C@H](CCO)C2)nc1 ZINC001506415059 988780859 /nfs/dbraw/zinc/78/08/59/988780859.db2.gz UHFUPWZTUDVNFI-CYBMUJFWSA-N 1 0 247.342 1.227 50 0 BDAARO [NH3+]C1(c2ccc(Cl)nc2Cl)COC1 ZINC001529596273 990356422 /nfs/dbraw/zinc/35/64/22/990356422.db2.gz BKBCBWABWGUUCU-UHFFFAOYSA-N 1 0 219.071 1.573 50 0 BDAARO Cc1cc(Cl)ccc1OCCCNC(N)=[NH2+] ZINC000069709791 178068354 /nfs/dbraw/zinc/06/83/54/178068354.db2.gz OQGDPDIMKPLZSC-UHFFFAOYSA-N 1 0 241.722 1.900 50 0 BDAARO Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019686544 178096958 /nfs/dbraw/zinc/09/69/58/178096958.db2.gz UGWNRTTXBPUJQL-VIFPVBQESA-N 1 0 206.293 1.276 50 0 BDAARO Cc1cc(NC(=O)CC[NH2+]C(C)(C)C)no1 ZINC000037390025 178127770 /nfs/dbraw/zinc/12/77/70/178127770.db2.gz BZESDUAZDQXKNV-UHFFFAOYSA-N 1 0 225.292 1.700 50 0 BDAARO Cc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)no1 ZINC000031100412 178139034 /nfs/dbraw/zinc/13/90/34/178139034.db2.gz RANKOVUZGXYLCH-SSDOTTSWSA-N 1 0 226.280 1.055 50 0 BDAARO Cc1cc(NC(=O)NCC[NH+]2CCCC2)no1 ZINC000065390754 178138394 /nfs/dbraw/zinc/13/83/94/178138394.db2.gz HOAMYHVJRCJYCN-UHFFFAOYSA-N 1 0 238.291 1.200 50 0 BDAARO CCC(CC)C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000330033070 168350441 /nfs/dbraw/zinc/35/04/41/168350441.db2.gz WGLBJFWZIYZRBX-LBPRGKRZSA-N 1 0 247.404 1.932 50 0 BDAARO Cc1cc(NN)[nH+]c(-c2cccc(F)c2)n1 ZINC000045918607 178177742 /nfs/dbraw/zinc/17/77/42/178177742.db2.gz DSPAMQHZWXRJQW-UHFFFAOYSA-N 1 0 218.235 1.877 50 0 BDAARO Cc1c([C@H](C)Nc2cc(C)[nH+]c(N)n2)cnn1C ZINC000032547711 178180389 /nfs/dbraw/zinc/18/03/89/178180389.db2.gz YFVQUEHDOAZBHB-QMMMGPOBSA-N 1 0 246.318 1.582 50 0 BDAARO Cc1c([C@@H](C)Nc2cc(C)[nH+]c(N)n2)cnn1C ZINC000032547710 178186924 /nfs/dbraw/zinc/18/69/24/178186924.db2.gz YFVQUEHDOAZBHB-MRVPVSSYSA-N 1 0 246.318 1.582 50 0 BDAARO Cc1cc(OCCC[NH2+]CCO)ccc1Cl ZINC000002380022 178210535 /nfs/dbraw/zinc/21/05/35/178210535.db2.gz HNNFWQSDKYBIHL-UHFFFAOYSA-N 1 0 243.734 1.999 50 0 BDAARO COc1cc(C[NH2+][C@H](C)[C@H]2CCCO2)ccn1 ZINC000097108710 398238195 /nfs/dbraw/zinc/23/81/95/398238195.db2.gz RZJIXBLIOHEUQF-ZYHUDNBSSA-N 1 0 236.315 1.747 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000158076797 178352861 /nfs/dbraw/zinc/35/28/61/178352861.db2.gz XVGJEZJYVSFNMN-MYSGNRETSA-N 1 0 244.338 1.958 50 0 BDAARO Cc1ccc(C(=O)CNC2=[NH+]CCC2)cc1 ZINC000000245530 178373673 /nfs/dbraw/zinc/37/36/73/178373673.db2.gz CNPWMQDJZLVGLT-UHFFFAOYSA-N 1 0 216.284 1.960 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000088059162 178391452 /nfs/dbraw/zinc/39/14/52/178391452.db2.gz YFOHUPWSRULHJR-GFCCVEGCSA-N 1 0 232.327 1.737 50 0 BDAARO C[C@H](CC[NH+]1CCN(C=O)CC1)c1ccccc1 ZINC000000214586 342680231 /nfs/dbraw/zinc/68/02/31/342680231.db2.gz ZBYBXGSMTGUTOA-CQSZACIVSA-N 1 0 246.354 1.954 50 0 BDAARO COC(=O)CC[NH2+][C@H](C)Cc1ccccc1 ZINC000001805984 342712720 /nfs/dbraw/zinc/71/27/20/342712720.db2.gz QAYIYGOIKODQTM-LLVKDONJSA-N 1 0 221.300 1.770 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000004202260 342743641 /nfs/dbraw/zinc/74/36/41/342743641.db2.gz KHPQHXGYYXYTDN-VIFPVBQESA-N 1 0 214.309 1.511 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000004203948 342744001 /nfs/dbraw/zinc/74/40/01/342744001.db2.gz LGEWGFOMLJQHLL-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1cc(C)n2c(nnc2[C@@H]([NH3+])CC(C)C)n1 ZINC000004219202 342744664 /nfs/dbraw/zinc/74/46/64/342744664.db2.gz NEGFIFLDCADROF-JTQLQIEISA-N 1 0 233.319 1.787 50 0 BDAARO CC(C)c1[nH+]c2cc(N)ccc2n1CCO ZINC000004243980 342745418 /nfs/dbraw/zinc/74/54/18/342745418.db2.gz GRLBDMNEXHUHEY-UHFFFAOYSA-N 1 0 219.288 1.734 50 0 BDAARO [NH3+][C@H](CO)c1cc(Cl)cc(Cl)c1 ZINC000004284375 342746025 /nfs/dbraw/zinc/74/60/25/342746025.db2.gz LRORZXIRKBZZAG-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO O=S1(=O)CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000004298758 342746281 /nfs/dbraw/zinc/74/62/81/342746281.db2.gz GJFFBAFTFQNHEX-LBPRGKRZSA-N 1 0 239.340 1.006 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000008699279 342802286 /nfs/dbraw/zinc/80/22/86/342802286.db2.gz DHNONVNQXOJHJT-WDEREUQCSA-N 1 0 223.247 1.302 50 0 BDAARO Nc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000008703586 342802958 /nfs/dbraw/zinc/80/29/58/342802958.db2.gz WQODBPRQFYKNTH-UHFFFAOYSA-N 1 0 219.288 1.303 50 0 BDAARO COc1cc(C=O)ccc1OCCC[NH+](C)C ZINC000008731589 342803737 /nfs/dbraw/zinc/80/37/37/342803737.db2.gz NEDZYWJEDVJORG-UHFFFAOYSA-N 1 0 237.299 1.838 50 0 BDAARO CCN1CCC[C@@H]([NH+]2CCC(CCO)CC2)C1 ZINC000032565289 342838384 /nfs/dbraw/zinc/83/83/84/342838384.db2.gz UZCCJCJUBCGCMQ-CQSZACIVSA-N 1 0 240.391 1.565 50 0 BDAARO Cn1c(C(=O)N2CC[NH2+]CC2)cc2ccccc21 ZINC000011737086 342842942 /nfs/dbraw/zinc/84/29/42/342842942.db2.gz RPEYOALTSDEQOU-UHFFFAOYSA-N 1 0 243.310 1.224 50 0 BDAARO COC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000065171325 539027861 /nfs/dbraw/zinc/02/78/61/539027861.db2.gz WCRKOLGKWKRVEJ-UHFFFAOYSA-N 1 0 227.348 1.792 50 0 BDAARO Cc1ccc(CNCc2cn(C)cn2)o1 ZINC000389629890 539016765 /nfs/dbraw/zinc/01/67/65/539016765.db2.gz LTZNVFONKLLPHV-UHFFFAOYSA-N 1 0 205.261 1.611 50 0 BDAARO C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCCO1 ZINC000042269924 361975930 /nfs/dbraw/zinc/97/59/30/361975930.db2.gz JJHMKWFIFVTDRT-NWDGAFQWSA-N 1 0 223.320 1.430 50 0 BDAARO [NH3+][C@H]1CCCCN(Cc2ccccc2)C1=O ZINC000012650493 342855892 /nfs/dbraw/zinc/85/58/92/342855892.db2.gz WUBFFASJCUPUCX-LBPRGKRZSA-N 1 0 218.300 1.526 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(Br)cc1 ZINC000012404599 342851602 /nfs/dbraw/zinc/85/16/02/342851602.db2.gz KTNHFPRYCCCOQV-QMMMGPOBSA-N 1 0 216.078 1.441 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+][C@@H]2C1 ZINC000012506735 342852991 /nfs/dbraw/zinc/85/29/91/342852991.db2.gz VGJOEEIXDPWTAZ-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO CCC[NH+]1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000032667832 342861608 /nfs/dbraw/zinc/86/16/08/342861608.db2.gz YZMLAAQLHQDKOK-MNOVXSKESA-N 1 0 210.321 1.197 50 0 BDAARO CCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000032667829 342861721 /nfs/dbraw/zinc/86/17/21/342861721.db2.gz YZMLAAQLHQDKOK-QWRGUYRKSA-N 1 0 210.321 1.197 50 0 BDAARO O=C(C[NH+]1CCCCCC1)N1CCCCC1 ZINC000032668099 342862004 /nfs/dbraw/zinc/86/20/04/342862004.db2.gz NIZHDFSYKCTNAN-UHFFFAOYSA-N 1 0 224.348 1.875 50 0 BDAARO O=C1CS[C@@H]2N1CC[NH2+]C21CCCCC1 ZINC000055152985 398308165 /nfs/dbraw/zinc/30/81/65/398308165.db2.gz NALQPRYAZGDJGT-JTQLQIEISA-N 1 0 226.345 1.194 50 0 BDAARO COC(=O)CC1CC[NH+](Cc2cccnc2)CC1 ZINC000015423834 342896057 /nfs/dbraw/zinc/89/60/57/342896057.db2.gz VNODNNATQNQAGU-UHFFFAOYSA-N 1 0 248.326 1.857 50 0 BDAARO CCOc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000014632230 342883273 /nfs/dbraw/zinc/88/32/73/342883273.db2.gz XLNAXXXXGWNMDS-LBPRGKRZSA-N 1 0 207.273 1.826 50 0 BDAARO [NH3+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000015015132 342890644 /nfs/dbraw/zinc/89/06/44/342890644.db2.gz HJDQGJRNNAVWDA-ZETCQYMHSA-N 1 0 210.664 1.404 50 0 BDAARO O=C1NCCCC[C@H]1[NH2+]C1CCSCC1 ZINC000036977571 342915472 /nfs/dbraw/zinc/91/54/72/342915472.db2.gz AEGRAUNVWCZRCR-SNVBAGLBSA-N 1 0 228.361 1.140 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1csnn1 ZINC000133351086 398324842 /nfs/dbraw/zinc/32/48/42/398324842.db2.gz ARXRCHGOFXDRDH-MWLCHTKSSA-N 1 0 241.360 1.689 50 0 BDAARO O=C1NCCCC[C@H]1[NH+]1CCCCCC1 ZINC000010034729 346876361 /nfs/dbraw/zinc/87/63/61/346876361.db2.gz CMKSEWMFSWOPLB-LLVKDONJSA-N 1 0 210.321 1.531 50 0 BDAARO C[C@H]([C@H](C)[NH2+]Cc1cnn(C)c1)n1cccn1 ZINC000069490217 398330135 /nfs/dbraw/zinc/33/01/35/398330135.db2.gz CWUVKBBDGDVUEX-WDEREUQCSA-N 1 0 233.319 1.356 50 0 BDAARO CC[C@@H](C)[NH+]1CCN(Cc2cccn2C)CC1 ZINC000019499947 342949937 /nfs/dbraw/zinc/94/99/37/342949937.db2.gz STZAHBNCYQOXLA-CYBMUJFWSA-N 1 0 235.375 1.941 50 0 BDAARO O=C(c1ccccc1Cl)N1CCC[NH2+]CC1 ZINC000019679978 342953587 /nfs/dbraw/zinc/95/35/87/342953587.db2.gz DFHPBCHUERHVNX-UHFFFAOYSA-N 1 0 238.718 1.776 50 0 BDAARO Cc1ccc(NC(=O)CN2CCC([NH3+])CC2)cc1 ZINC000019388998 342947401 /nfs/dbraw/zinc/94/74/01/342947401.db2.gz DJTRAZKEOCKUDU-UHFFFAOYSA-N 1 0 247.342 1.357 50 0 BDAARO O=C([C@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000019409008 342947762 /nfs/dbraw/zinc/94/77/62/342947762.db2.gz PRNKBGVHUOWBBO-CQSZACIVSA-N 1 0 244.338 1.713 50 0 BDAARO Cn1c2ccc(N)cc2nc1C[NH+]1CCCC1 ZINC000019894628 342961571 /nfs/dbraw/zinc/96/15/71/342961571.db2.gz BTHRHODLKXQDQC-UHFFFAOYSA-N 1 0 230.315 1.751 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(F)cc1F ZINC000020577513 342991878 /nfs/dbraw/zinc/99/18/78/342991878.db2.gz FCVSGKVSVMNVBK-VIFPVBQESA-N 1 0 215.199 1.528 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]C[C@@H]21 ZINC000022015978 343035537 /nfs/dbraw/zinc/03/55/37/343035537.db2.gz OIKZNKIPPFFTKA-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO OC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000143523220 259349741 /nfs/dbraw/zinc/34/97/41/259349741.db2.gz RAXRSTOKCITCSP-UHFFFAOYSA-N 1 0 228.089 1.240 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1cc(C)nn1C ZINC000029598219 343145050 /nfs/dbraw/zinc/14/50/50/343145050.db2.gz UVWVEGNLRPQBPW-UHFFFAOYSA-N 1 0 224.308 1.009 50 0 BDAARO COC(C)(C)C[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000128002068 343179548 /nfs/dbraw/zinc/17/95/48/343179548.db2.gz DRMTWFDKFYZKEU-LLVKDONJSA-N 1 0 239.363 1.756 50 0 BDAARO CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC2)C1 ZINC000072304816 343244367 /nfs/dbraw/zinc/24/43/67/343244367.db2.gz PPDISSDDXBCSBR-SNVBAGLBSA-N 1 0 225.336 1.132 50 0 BDAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(C)CC1 ZINC000002498850 343270829 /nfs/dbraw/zinc/27/08/29/343270829.db2.gz UNSBWRMGOSOQKW-LBPRGKRZSA-N 1 0 242.407 2.000 50 0 BDAARO CC(C)(C)OC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000034480879 343271919 /nfs/dbraw/zinc/27/19/19/343271919.db2.gz DIQWSFWWYVRXRO-JTQLQIEISA-N 1 0 200.282 1.263 50 0 BDAARO CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000022858748 343272337 /nfs/dbraw/zinc/27/23/37/343272337.db2.gz GWDPZSFXNGXPTP-JTQLQIEISA-N 1 0 200.351 1.129 50 0 BDAARO CCC[N@@H+]1CC[C@H](NC(=O)c2cncc(O)c2)C1 ZINC000389839522 343281562 /nfs/dbraw/zinc/28/15/62/343281562.db2.gz RKAUDLIULYLUEL-NSHDSACASA-N 1 0 249.314 1.001 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000036532680 343319919 /nfs/dbraw/zinc/31/99/19/343319919.db2.gz JHHBMDKAYOQBBB-SECBINFHSA-N 1 0 214.309 1.592 50 0 BDAARO C[NH+]1CCC(Nc2cccc(N)c2)CC1 ZINC000036379612 343317316 /nfs/dbraw/zinc/31/73/16/343317316.db2.gz HERSLVLGFZDVFD-UHFFFAOYSA-N 1 0 205.305 1.775 50 0 BDAARO O=C([C@H]1C[C@@H]1c1ccccc1F)N1CC[NH2+]CC1 ZINC000038478378 343375202 /nfs/dbraw/zinc/37/52/02/343375202.db2.gz CQIWZIIWZMWNKV-NEPJUHHUSA-N 1 0 248.301 1.361 50 0 BDAARO O=C([C@H]1C[C@@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038478382 343375457 /nfs/dbraw/zinc/37/54/57/343375457.db2.gz FDIWYIFTXYRORN-OLZOCXBDSA-N 1 0 248.301 1.361 50 0 BDAARO Cn1cccc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000335640844 136308696 /nfs/dbraw/zinc/30/86/96/136308696.db2.gz AZSALESWBDYPBD-LBPRGKRZSA-N 1 0 226.295 1.586 50 0 BDAARO CC(C)CNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000048614638 343394402 /nfs/dbraw/zinc/39/44/02/343394402.db2.gz WABPMHBQAVBVRQ-VXGBXAGGSA-N 1 0 226.364 1.737 50 0 BDAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC000040434750 343403167 /nfs/dbraw/zinc/40/31/67/343403167.db2.gz AFAQCDVDGPIHIZ-SSDOTTSWSA-N 1 0 213.668 1.261 50 0 BDAARO CO[C@H]1C[NH2+][C@H](c2nc(-c3cccnc3)c[nH]2)C1 ZINC000040637905 343408039 /nfs/dbraw/zinc/40/80/39/343408039.db2.gz YSCCZNNXGFUKFS-MNOVXSKESA-N 1 0 244.298 1.521 50 0 BDAARO CN(C)[C@H](C[NH3+])c1cn(C)c2ccccc12 ZINC000041230472 343417378 /nfs/dbraw/zinc/41/73/78/343417378.db2.gz ZJZKBTKAHBXKSR-CYBMUJFWSA-N 1 0 217.316 1.740 50 0 BDAARO Cc1ccc(CC[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000095430699 178532248 /nfs/dbraw/zinc/53/22/48/178532248.db2.gz GTXCAYCQDFHSFX-AWEZNQCLSA-N 1 0 219.328 1.852 50 0 BDAARO Fc1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000042771956 343451720 /nfs/dbraw/zinc/45/17/20/343451720.db2.gz NHYKONAQLKVWGK-LLVKDONJSA-N 1 0 209.264 1.952 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CCC[NH2+]2 ZINC000044137630 343493066 /nfs/dbraw/zinc/49/30/66/343493066.db2.gz YSRVDGYYECHRCC-UHFFFAOYSA-N 1 0 212.293 1.359 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[NH2+]2 ZINC000044667952 343511271 /nfs/dbraw/zinc/51/12/71/343511271.db2.gz RBLOMFQUEUBEBG-RKDXNWHRSA-N 1 0 212.293 1.358 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC(C)(C)C ZINC000085727134 343604440 /nfs/dbraw/zinc/60/44/40/343604440.db2.gz LIDYBIPQIIGPIG-UWVGGRQHSA-N 1 0 212.337 1.679 50 0 BDAARO CC(=O)N1CCC([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000396825018 349888058 /nfs/dbraw/zinc/88/80/58/349888058.db2.gz ZWCRUWDTZUXCGK-GFCCVEGCSA-N 1 0 240.347 1.154 50 0 BDAARO C[C@H](OC(C)(C)C)[C@@H]1C[N@@H+]2CCC[C@@H]2CN1 ZINC000072233379 344519331 /nfs/dbraw/zinc/51/93/31/344519331.db2.gz MOQSXZMCEOQADU-TUAOUCFPSA-N 1 0 226.364 1.626 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(C)o1 ZINC000493819643 530001883 /nfs/dbraw/zinc/00/18/83/530001883.db2.gz USFWSXOAXGYDDQ-QDZRJHCZSA-N 1 0 248.326 1.812 50 0 BDAARO Cn1c2[n+](c3ccccc3c1=O)Cc1ccccc1-2 ZINC000000225105 344647985 /nfs/dbraw/zinc/64/79/85/344647985.db2.gz GQJPOQVLNQVDDL-UHFFFAOYSA-N 1 0 249.293 1.855 50 0 biogenic BDAARO CC(C)(C)S(=O)(=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000248168147 345064721 /nfs/dbraw/zinc/06/47/21/345064721.db2.gz PSIDFZJCFGNTSE-ULKQDVFKSA-N 1 0 231.361 1.483 50 0 BDAARO CCC1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019608749 168520292 /nfs/dbraw/zinc/52/02/92/168520292.db2.gz RWJMIZKDRSWDLR-UHFFFAOYSA-N 1 0 240.391 1.877 50 0 BDAARO CC[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000065591158 345617254 /nfs/dbraw/zinc/61/72/54/345617254.db2.gz XTSITRCWBKTKFD-UHFFFAOYSA-N 1 0 211.334 1.593 50 0 BDAARO c1cncc(-c2nc(CC[C@@H]3CC[NH2+]C3)no2)c1 ZINC000096894981 537903395 /nfs/dbraw/zinc/90/33/95/537903395.db2.gz BKSBLGIZZPKEAM-SNVBAGLBSA-N 1 0 244.298 1.674 50 0 BDAARO C[N@H+](CCCN1CCOC1=O)CC1CC1 ZINC000065950868 345695193 /nfs/dbraw/zinc/69/51/93/345695193.db2.gz DYZGCCUIBWZKGE-UHFFFAOYSA-N 1 0 212.293 1.171 50 0 BDAARO CC(C)CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000095466160 345685724 /nfs/dbraw/zinc/68/57/24/345685724.db2.gz RIASLJFEEIQWNZ-STQMWFEESA-N 1 0 238.375 1.975 50 0 BDAARO CO[C@]1(C)C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1(C)C ZINC000095962724 345686955 /nfs/dbraw/zinc/68/69/55/345686955.db2.gz NPUCIVQCQQHTLE-GIPNMCIBSA-N 1 0 240.347 1.010 50 0 BDAARO O=C(C1CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000685939512 537929302 /nfs/dbraw/zinc/92/93/02/537929302.db2.gz CDMKHOYEFYHYDV-XQQFMLRXSA-N 1 0 234.343 1.339 50 0 BDAARO Cc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000004910434 179014568 /nfs/dbraw/zinc/01/45/68/179014568.db2.gz HGTATXAWYLEONS-UHFFFAOYSA-N 1 0 218.300 1.477 50 0 BDAARO Cc1cccc(C)c1NC(=O)CSCC[NH3+] ZINC000002496347 179041044 /nfs/dbraw/zinc/04/10/44/179041044.db2.gz HIEZYOFTBHOECD-UHFFFAOYSA-N 1 0 238.356 1.934 50 0 BDAARO Cc1cccc(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000071412898 179052614 /nfs/dbraw/zinc/05/26/14/179052614.db2.gz CFUIQIOTOKSRSJ-OCCSQVGLSA-N 1 0 246.354 1.652 50 0 BDAARO Cc1cccc(C[NH2+]C(C)(CO)CO)c1C ZINC000095442847 179088678 /nfs/dbraw/zinc/08/86/78/179088678.db2.gz XIDJFBMTXIMDHD-UHFFFAOYSA-N 1 0 223.316 1.136 50 0 BDAARO Cc1cccc(NC(=O)C2CC[NH2+]CC2)n1 ZINC000011805386 179126663 /nfs/dbraw/zinc/12/66/63/179126663.db2.gz WWRNOHRAKGMBLZ-UHFFFAOYSA-N 1 0 219.288 1.328 50 0 BDAARO Cc1cccc(NCCCO[C@@H]2CCOC2)[nH+]1 ZINC000157952706 179144081 /nfs/dbraw/zinc/14/40/81/179144081.db2.gz ZFVRONUHTHHDDJ-GFCCVEGCSA-N 1 0 236.315 1.998 50 0 BDAARO Cc1cccc(OCCC[NH2+]CCO)c1 ZINC000002902112 179166958 /nfs/dbraw/zinc/16/69/58/179166958.db2.gz NYADCRIOBYPSKO-UHFFFAOYSA-N 1 0 209.289 1.346 50 0 BDAARO Cc1ccccc1-c1noc(C2C[NH2+]C2)n1 ZINC000048981092 179241356 /nfs/dbraw/zinc/24/13/56/179241356.db2.gz UOXPBNSMDDIYOR-UHFFFAOYSA-N 1 0 215.256 1.732 50 0 BDAARO Cc1ccccc1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000019268929 179249072 /nfs/dbraw/zinc/24/90/72/179249072.db2.gz VCHDTMSZOTUODZ-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1ccccc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000002828148 179250216 /nfs/dbraw/zinc/25/02/16/179250216.db2.gz WQPOHJZYJWVOTB-NSHDSACASA-N 1 0 234.343 1.923 50 0 BDAARO Cc1ccccc1CC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000104361936 179258780 /nfs/dbraw/zinc/25/87/80/179258780.db2.gz OTRVVGDMRWLSJM-ZDUSSCGKSA-N 1 0 246.354 1.653 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[NH2+][C@H](C)C1 ZINC000084516187 179257398 /nfs/dbraw/zinc/25/73/98/179257398.db2.gz BEYWEEMJBYQYIB-GFCCVEGCSA-N 1 0 232.327 1.358 50 0 BDAARO Cc1ccccc1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000012219088 179271478 /nfs/dbraw/zinc/27/14/78/179271478.db2.gz ZCCSDBDYQZXZFN-UHFFFAOYSA-N 1 0 232.327 1.659 50 0 BDAARO Cc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)c(C)o1 ZINC000195573593 347647756 /nfs/dbraw/zinc/64/77/56/347647756.db2.gz HASPEVQSEYMLLK-NSHDSACASA-N 1 0 238.331 1.886 50 0 BDAARO Cc1ccccc1C[NH2+]CCN1CCOCC1 ZINC000019370635 179281866 /nfs/dbraw/zinc/28/18/66/179281866.db2.gz KDRNSAOTCOCKAR-UHFFFAOYSA-N 1 0 234.343 1.417 50 0 BDAARO Cc1ccccc1OCC[NH2+]CCn1cccn1 ZINC000070011575 179310568 /nfs/dbraw/zinc/31/05/68/179310568.db2.gz UPPFNZVZVMOQNY-UHFFFAOYSA-N 1 0 245.326 1.860 50 0 BDAARO Cc1ccccc1OCC[NH2+]C[C@@H](C)O ZINC000002881292 179310618 /nfs/dbraw/zinc/31/06/18/179310618.db2.gz ZOQATLGXJJMNSI-LLVKDONJSA-N 1 0 209.289 1.344 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(OC(F)(F)F)cc1 ZINC000036949487 347978772 /nfs/dbraw/zinc/97/87/72/347978772.db2.gz ZWWLHDJVEDSDGM-QMMMGPOBSA-N 1 0 221.178 1.577 50 0 BDAARO C/C=C/C=C\C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000252430064 187396686 /nfs/dbraw/zinc/39/66/86/187396686.db2.gz UDZMSFCCBIFGIR-KQHAGXDOSA-N 1 0 208.305 1.235 50 0 BDAARO O=c1c2ccccc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000084252956 348806632 /nfs/dbraw/zinc/80/66/32/348806632.db2.gz UVJBIIMGZSTPCV-SNVBAGLBSA-N 1 0 229.283 1.321 50 0 BDAARO CCCc1cnc(N2CCC[NH2+]CC2)nc1 ZINC000000066456 187407241 /nfs/dbraw/zinc/40/72/41/187407241.db2.gz VCYGWMDVJHDLFT-UHFFFAOYSA-N 1 0 220.320 1.229 50 0 BDAARO Cc1c(CO)sc[n+]1Cc1ccccc1 ZINC000002518968 187410384 /nfs/dbraw/zinc/41/03/84/187410384.db2.gz FKZMLSJFUWJHSJ-UHFFFAOYSA-N 1 0 220.317 1.885 50 0 BDAARO CC(=O)NCc1ccc(C2CC[NH2+]CC2)nc1 ZINC000019686578 187416934 /nfs/dbraw/zinc/41/69/34/187416934.db2.gz YZEDRTBERYEKDU-UHFFFAOYSA-N 1 0 233.315 1.185 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@](C)([NH3+])C1 ZINC000072193749 191004926 /nfs/dbraw/zinc/00/49/26/191004926.db2.gz BSSYZMZEARMCMK-LLVKDONJSA-N 1 0 214.309 1.735 50 0 BDAARO CCCCNC(=O)NC[C@](C)([NH3+])C(C)(C)C ZINC000725255017 538049907 /nfs/dbraw/zinc/04/99/07/538049907.db2.gz OEZAIVKYGKZMFP-LBPRGKRZSA-N 1 0 229.368 1.849 50 0 BDAARO Cc1nc2cc(NC(=O)C[NH3+])ccc2s1 ZINC000001510481 180082531 /nfs/dbraw/zinc/08/25/31/180082531.db2.gz GQTQBLMLMUQBQN-UHFFFAOYSA-N 1 0 221.285 1.502 50 0 BDAARO Cc1cnn(-c2ccc(C(N)=[NH2+])cc2)c1 ZINC000037677396 350286412 /nfs/dbraw/zinc/28/64/12/350286412.db2.gz VMROFCORZXVMGW-UHFFFAOYSA-N 1 0 200.245 1.465 50 0 BDAARO O=C1CC2(CN1Cc1ccccc1)CC[NH2+]CC2 ZINC000034218577 350260595 /nfs/dbraw/zinc/26/05/95/350260595.db2.gz KUSFQCKPCOMDAD-UHFFFAOYSA-N 1 0 244.338 1.789 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000601012716 350329854 /nfs/dbraw/zinc/32/98/54/350329854.db2.gz ZTMYCSZJYFOFQC-IUCAKERBSA-N 1 0 214.309 1.604 50 0 BDAARO CC[NH+]1CCN(CCc2cscn2)CC1 ZINC000225846333 350375816 /nfs/dbraw/zinc/37/58/16/350375816.db2.gz SIWWPTDDPQIMPN-UHFFFAOYSA-N 1 0 225.361 1.323 50 0 BDAARO C[C@H]1CSCCN1C[C@H](O)C(F)(F)F ZINC000069761339 350398196 /nfs/dbraw/zinc/39/81/96/350398196.db2.gz GXDZTNORPWJCKB-BQBZGAKWSA-N 1 0 229.267 1.347 50 0 BDAARO C[C@H](C[N@H+]1CCC(=O)N(C)CC1)c1ccccc1 ZINC000014996823 350721189 /nfs/dbraw/zinc/72/11/89/350721189.db2.gz VJSNDHAJYMMACG-CYBMUJFWSA-N 1 0 246.354 1.954 50 0 BDAARO Clc1ccc(CN2CC[NH2+]CC2)cn1 ZINC000034977167 180578497 /nfs/dbraw/zinc/57/84/97/180578497.db2.gz KNJMXYXFQZPYLD-UHFFFAOYSA-N 1 0 211.696 1.140 50 0 BDAARO CC[N@H+]([C@@H]1CCNC1=O)[C@@H]1C=CCCC1 ZINC000282255754 363137879 /nfs/dbraw/zinc/13/78/79/363137879.db2.gz GVHJMRZEPRAVKN-GHMZBOCLSA-N 1 0 208.305 1.306 50 0 BDAARO O=C(C[NH+]1CCCC1)NCCCc1ccccc1 ZINC000044867456 352467300 /nfs/dbraw/zinc/46/73/00/352467300.db2.gz ATNSKATUROXBID-UHFFFAOYSA-N 1 0 246.354 1.831 50 0 BDAARO CCSCC[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000412040046 191249171 /nfs/dbraw/zinc/24/91/71/191249171.db2.gz LGYANKUXNTYPJK-SNVBAGLBSA-N 1 0 240.376 1.656 50 0 BDAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000035782857 188060977 /nfs/dbraw/zinc/06/09/77/188060977.db2.gz OKWPTYCGPZCIIZ-QWRGUYRKSA-N 1 0 248.326 1.395 50 0 BDAARO COCc1ccccc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178539961 188081076 /nfs/dbraw/zinc/08/10/76/188081076.db2.gz JSVXKIOPPOFUIX-NSHDSACASA-N 1 0 248.326 1.254 50 0 BDAARO COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000000073743 188099134 /nfs/dbraw/zinc/09/91/34/188099134.db2.gz MROZGJJLUZDWPG-NSHDSACASA-N 1 0 239.315 1.433 50 0 BDAARO CC(=O)Nc1nnc(SCC[NH+](C)C)s1 ZINC000003363395 188101410 /nfs/dbraw/zinc/10/14/10/188101410.db2.gz YESCEJFTPCKVHB-UHFFFAOYSA-N 1 0 246.361 1.150 50 0 BDAARO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)C(C)C ZINC000095422877 188145022 /nfs/dbraw/zinc/14/50/22/188145022.db2.gz SOWNJVOVVPZNRA-KGLIPLIRSA-N 1 0 242.407 1.979 50 0 BDAARO CC(C)(O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000095349667 188145292 /nfs/dbraw/zinc/14/52/92/188145292.db2.gz YIZWGFOEOAERGZ-SNVBAGLBSA-N 1 0 223.320 1.360 50 0 BDAARO CC(C)[C@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000065474315 188129600 /nfs/dbraw/zinc/12/96/00/188129600.db2.gz ZANANGYPGKKQIS-NSHDSACASA-N 1 0 224.348 1.585 50 0 BDAARO CC(C)([NH3+])c1nc2c(c(=O)[nH]1)CCCCC2 ZINC000071002809 188130566 /nfs/dbraw/zinc/13/05/66/188130566.db2.gz LBSXTLLNBVQLPY-UHFFFAOYSA-N 1 0 221.304 1.233 50 0 BDAARO CCCc1cncnc1N1C[C@H]([NH3+])[C@@H](CCC)C1 ZINC000092081603 188145874 /nfs/dbraw/zinc/14/58/74/188145874.db2.gz JDNUNZKNAQIWAM-STQMWFEESA-N 1 0 248.374 1.993 50 0 BDAARO CC(C)COCC[N@@H+]1CCCC[C@@H]1CO ZINC000225427123 188154794 /nfs/dbraw/zinc/15/47/94/188154794.db2.gz LNYGYHMPQQKMQY-GFCCVEGCSA-N 1 0 215.337 1.506 50 0 BDAARO C[n+]1ccc(C(=O)N2CCCCC2)cc1 ZINC000007966346 188161154 /nfs/dbraw/zinc/16/11/54/188161154.db2.gz ILXRQYYLEJIWFP-UHFFFAOYSA-N 1 0 205.281 1.137 50 0 BDAARO CC(=O)NCC[NH2+][C@@H](C)CC1CCCC1 ZINC000119606320 188172416 /nfs/dbraw/zinc/17/24/16/188172416.db2.gz UOMUDEXUSONBHT-JTQLQIEISA-N 1 0 212.337 1.681 50 0 BDAARO CC(=O)NCC[NH2+][C@H](C)CC1CCCC1 ZINC000119606434 188172431 /nfs/dbraw/zinc/17/24/31/188172431.db2.gz UOMUDEXUSONBHT-SNVBAGLBSA-N 1 0 212.337 1.681 50 0 BDAARO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccn(C)c1 ZINC000097236862 188149258 /nfs/dbraw/zinc/14/92/58/188149258.db2.gz KFKXRQQBNCEDNB-AWEZNQCLSA-N 1 0 235.375 1.797 50 0 BDAARO C/C=C/C=C\C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000096102377 188188678 /nfs/dbraw/zinc/18/86/78/188188678.db2.gz PECHLAUPQHIOCE-LUCAFBLPSA-N 1 0 222.332 1.670 50 0 BDAARO FCCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000130061396 180929802 /nfs/dbraw/zinc/92/98/02/180929802.db2.gz XCVSHJWZZSUAAO-UHFFFAOYSA-N 1 0 224.270 1.619 50 0 BDAARO Fc1ccccc1C[NH2+]CCn1cccn1 ZINC000042351645 181013126 /nfs/dbraw/zinc/01/31/26/181013126.db2.gz TYYNPZRSTIHMCY-UHFFFAOYSA-N 1 0 219.263 1.812 50 0 BDAARO O=[N+](Nc1cccnc1)c1cccnc1 ZINC000334160143 358486217 /nfs/dbraw/zinc/48/62/17/358486217.db2.gz XTBHDZFCVIDOLY-UHFFFAOYSA-N 1 0 201.209 1.914 50 0 BDAARO FC[C@@H]1C[N@H+](Cc2ccncc2)CCCO1 ZINC000334644308 354402262 /nfs/dbraw/zinc/40/22/62/354402262.db2.gz CITSCAZBHKKFAZ-GFCCVEGCSA-N 1 0 224.279 1.642 50 0 BDAARO NC(=[NH2+])NCc1cccc2cccnc21 ZINC000069350349 181191596 /nfs/dbraw/zinc/19/15/96/181191596.db2.gz NEWLGBDKROCTBN-UHFFFAOYSA-N 1 0 200.245 1.218 50 0 BDAARO NC(=[NH2+])c1ccc(-n2cnc3ccccc32)nc1 ZINC000019509357 181194509 /nfs/dbraw/zinc/19/45/09/181194509.db2.gz GYPJYTFFSKNAIG-UHFFFAOYSA-N 1 0 237.266 1.705 50 0 BDAARO NN1Cc2ccccc2C2(CCOCC2)C1=[NH2+] ZINC000103851603 181206404 /nfs/dbraw/zinc/20/64/04/181206404.db2.gz 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1 0 220.247 1.206 50 0 BDAARO Cc1nc(CN2CCC[C@@H]([NH3+])C2)cs1 ZINC000041027893 361148017 /nfs/dbraw/zinc/14/80/17/361148017.db2.gz LSAHPUXLIQRRSV-SECBINFHSA-N 1 0 211.334 1.375 50 0 BDAARO Cn1c(CC[NH3+])nnc1SCCCCCF ZINC000426484418 200990799 /nfs/dbraw/zinc/99/07/99/200990799.db2.gz IAIYVILPPBRNCS-UHFFFAOYSA-N 1 0 246.355 1.548 50 0 BDAARO C[C@@H](O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000170091658 361391063 /nfs/dbraw/zinc/39/10/63/361391063.db2.gz PKDCRMJGLIADQR-DGCLKSJQSA-N 1 0 243.347 1.027 50 0 BDAARO [NH3+]C1(Cc2nnc3ccccn32)CCCCC1 ZINC000084143797 181333095 /nfs/dbraw/zinc/33/30/95/181333095.db2.gz ZOJBWUPRJLCWFF-UHFFFAOYSA-N 1 0 230.315 1.933 50 0 BDAARO CC(C)[C@H](O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000249162113 325639608 /nfs/dbraw/zinc/63/96/08/325639608.db2.gz ZFJJQPMTANQPDA-GARJFASQSA-N 1 0 201.310 1.018 50 0 BDAARO [NH3+]C1CCC(Nc2ncc(Cl)cn2)CC1 ZINC000072411169 181342363 /nfs/dbraw/zinc/34/23/63/181342363.db2.gz VUIVJHJLKWBRLD-UHFFFAOYSA-N 1 0 226.711 1.812 50 0 BDAARO [NH3+]C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000020508560 181342718 /nfs/dbraw/zinc/34/27/18/181342718.db2.gz ZIHBBBYEFSNZJG-VOTSOKGWSA-N 1 0 230.311 1.650 50 0 BDAARO [NH3+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000004299059 181343251 /nfs/dbraw/zinc/34/32/51/181343251.db2.gz YBVVDCMQKWGTHH-UHFFFAOYSA-N 1 0 222.263 1.389 50 0 BDAARO [NH3+]C1CCN(Cc2cccc(O)c2)CC1 ZINC000014988559 181344367 /nfs/dbraw/zinc/34/43/67/181344367.db2.gz WAURZPJBMDKXCF-UHFFFAOYSA-N 1 0 206.289 1.315 50 0 BDAARO Cc1ccc2c(C[NH3+])cc(=O)oc2c1C ZINC000007650419 364023041 /nfs/dbraw/zinc/02/30/41/364023041.db2.gz VLJICGBFYGFVHU-UHFFFAOYSA-N 1 0 203.241 1.869 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(F)c(F)c1F ZINC000002633221 181354901 /nfs/dbraw/zinc/35/49/01/181354901.db2.gz QHHISXJXWLNFGV-UHFFFAOYSA-N 1 0 204.151 1.001 50 0 BDAARO [NH3+]CC1(c2ccc3c(c2)OCCO3)CCOCC1 ZINC000000207082 181363068 /nfs/dbraw/zinc/36/30/68/181363068.db2.gz PWKBKZOZIQCYNG-UHFFFAOYSA-N 1 0 249.310 1.465 50 0 BDAARO [NH3+]CC1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000020182489 181364783 /nfs/dbraw/zinc/36/47/83/181364783.db2.gz RJLLQBOXXOOZGM-UHFFFAOYSA-N 1 0 236.290 1.637 50 0 BDAARO [NH3+]CC1CCN(C(=O)c2ccccc2F)CC1 ZINC000020182487 181365563 /nfs/dbraw/zinc/36/55/63/181365563.db2.gz BBTVJMDPIPMCHI-UHFFFAOYSA-N 1 0 236.290 1.637 50 0 BDAARO [NH3+]CCCN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000045796283 181379220 /nfs/dbraw/zinc/37/92/20/181379220.db2.gz OZKPEICSLPFZDA-ZDUSSCGKSA-N 1 0 238.331 1.609 50 0 BDAARO [NH3+]CCCNC(=O)/C=C/c1ccccc1 ZINC000034180697 181381565 /nfs/dbraw/zinc/38/15/65/181381565.db2.gz NXAZBSXCMLLURK-BQYQJAHWSA-N 1 0 204.273 1.165 50 0 BDAARO [NH3+]CCN1Cc2ccc(Cl)cc2C1=O ZINC000096503557 181393177 /nfs/dbraw/zinc/39/31/77/181393177.db2.gz LZNPSTZCEVNVEF-UHFFFAOYSA-N 1 0 210.664 1.255 50 0 BDAARO [NH3+]CCNC(=O)c1cc2ccccc2cc1O ZINC000002001245 181395519 /nfs/dbraw/zinc/39/55/19/181395519.db2.gz LKDKFADINSRVMX-UHFFFAOYSA-N 1 0 230.267 1.234 50 0 BDAARO [NH3+]CCNc1ncccc1C(F)(F)F ZINC000019478885 181398605 /nfs/dbraw/zinc/39/86/05/181398605.db2.gz LSVXEUKUUNCRMO-UHFFFAOYSA-N 1 0 205.183 1.471 50 0 BDAARO [NH3+]CCc1nc2ccccc2c(NCC2CC2)n1 ZINC000065468911 181413915 /nfs/dbraw/zinc/41/39/15/181413915.db2.gz FHKJUUCCMZTVTG-UHFFFAOYSA-N 1 0 242.326 1.953 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000178574721 181433255 /nfs/dbraw/zinc/43/32/55/181433255.db2.gz DBIXCYCRBQPHRB-ITKZLYELSA-N 1 0 248.301 1.646 50 0 BDAARO Cn1ccc(-n2c(N)[nH+]c3ccccc32)n1 ZINC000086781372 368885226 /nfs/dbraw/zinc/88/52/26/368885226.db2.gz PZAPXYHLIMZBSP-UHFFFAOYSA-N 1 0 213.244 1.341 50 0 BDAARO CSCC[C@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000584884796 369033421 /nfs/dbraw/zinc/03/34/21/369033421.db2.gz VBHJPXDTRQPVFM-NSHDSACASA-N 1 0 247.404 1.507 50 0 BDAARO CCCn1cnnc1[C@H](C)[NH2+]C1CCOCC1 ZINC000584888878 369037195 /nfs/dbraw/zinc/03/71/95/369037195.db2.gz AKRKEFYKNAPURW-JTQLQIEISA-N 1 0 238.335 1.518 50 0 BDAARO COc1cc(N2CC[C@H]([NH3+])[C@H](F)C2)ccc1N ZINC000114003118 370539350 /nfs/dbraw/zinc/53/93/50/370539350.db2.gz CVDXHDWVHRKADF-ZJUUUORDSA-N 1 0 239.294 1.153 50 0 BDAARO CC[C@@H](C)C12CN3CC(C)(C[N@H+](C1)CC3)C2=O ZINC000019361367 371134750 /nfs/dbraw/zinc/13/47/50/371134750.db2.gz YWHVIIYCCSYIKL-LMWSTFAQSA-N 1 0 236.359 1.239 50 0 BDAARO CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](OC)C1 ZINC000154416539 371115625 /nfs/dbraw/zinc/11/56/25/371115625.db2.gz PGEXQASYADFSLS-WDEREUQCSA-N 1 0 228.336 1.141 50 0 BDAARO CCC12CN3CC(C)(CN(C1)C3(C)C)[C@@H]2O ZINC000019330064 371130518 /nfs/dbraw/zinc/13/05/18/371130518.db2.gz KPSBBBGVKLNVPT-PKSQDBQZSA-N 1 0 224.348 1.131 50 0 biogenic BDAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc32)C1 ZINC000147884941 181587413 /nfs/dbraw/zinc/58/74/13/181587413.db2.gz LSFNDFDRUNIEDR-MWLCHTKSSA-N 1 0 248.351 1.436 50 0 BDAARO [NH3+][C@@H]1CCOc2ccc(Cl)cc2[C@@H]1O ZINC000062571383 181591053 /nfs/dbraw/zinc/59/10/53/181591053.db2.gz JBXZVDCLOHBTJT-SCZZXKLOSA-N 1 0 213.664 1.483 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3F)C[C@H]12 ZINC000225582442 181593791 /nfs/dbraw/zinc/59/37/91/181593791.db2.gz WQCDREVBENQVAS-XHVZSJERSA-N 1 0 248.301 1.635 50 0 BDAARO [NH3+][C@@H]1CCc2nnc(Cc3ccccc3)n2C1 ZINC000095829551 181594211 /nfs/dbraw/zinc/59/42/11/181594211.db2.gz ZJFKOPCGVFGAAF-LLVKDONJSA-N 1 0 228.299 1.142 50 0 BDAARO C[C@@H]1C[N@H+](CCCO)CCN1c1nccs1 ZINC000095373371 371276362 /nfs/dbraw/zinc/27/63/62/371276362.db2.gz BYFQJCWGOAJORR-SNVBAGLBSA-N 1 0 241.360 1.036 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000158136542 181642371 /nfs/dbraw/zinc/64/23/71/181642371.db2.gz UXYUGCXCHRZUAG-PCAWENJQSA-N 1 0 249.289 1.184 50 0 BDAARO CC1(C)CN(Cc2cncc(F)c2)C[C@@H]1O ZINC000280377406 371318456 /nfs/dbraw/zinc/31/84/56/371318456.db2.gz FAJSVWVWCLURTE-NSHDSACASA-N 1 0 224.279 1.423 50 0 BDAARO [NH3+][C@H]1CCN(c2cc(-c3ccccc3)[nH]n2)C1 ZINC000070460165 181652126 /nfs/dbraw/zinc/65/21/26/181652126.db2.gz LCJGDMTWCJEARU-NSHDSACASA-N 1 0 228.299 1.614 50 0 BDAARO C[NH2+][C@@H](C)Cc1cccc(C(=O)OC)c1 ZINC000096027727 371376384 /nfs/dbraw/zinc/37/63/84/371376384.db2.gz XUBNCSJYHRNRGE-VIFPVBQESA-N 1 0 207.273 1.624 50 0 BDAARO Cc1ccn(C[C@@H](O)C(C)(C)C[NH+](C)C)n1 ZINC000096027621 371382315 /nfs/dbraw/zinc/38/23/15/371382315.db2.gz DWLDAVKVSDOPBS-LLVKDONJSA-N 1 0 225.336 1.140 50 0 BDAARO COC(=O)NCCCC[NH+]1CCCCC1 ZINC000096027371 371382668 /nfs/dbraw/zinc/38/26/68/371382668.db2.gz DRZNASKNMJMONT-UHFFFAOYSA-N 1 0 214.309 1.609 50 0 BDAARO O=C(/C=C/c1ccco1)O[C@H]1C[NH+]2CCC1CC2 ZINC000013583657 181845566 /nfs/dbraw/zinc/84/55/66/181845566.db2.gz BXLLWYMUFPXEET-OOPCZODUSA-N 1 0 247.294 1.930 50 0 BDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C\c1ccccn1 ZINC000606441112 372102193 /nfs/dbraw/zinc/10/21/93/372102193.db2.gz OFKCSVFTJRDARB-GKKDLHFNSA-N 1 0 245.326 1.433 50 0 BDAARO O=C(Cc1cccc(O)c1)NCC1CC[NH2+]CC1 ZINC000042417796 182042288 /nfs/dbraw/zinc/04/22/88/182042288.db2.gz FLSYJKWBXLFRIW-UHFFFAOYSA-N 1 0 248.326 1.051 50 0 BDAARO Cc1ncccc1C[NH2+][C@@H]1CCc2ncnn2C1 ZINC000069660455 373571088 /nfs/dbraw/zinc/57/10/88/373571088.db2.gz CXSWWLGGEJHRKW-GFCCVEGCSA-N 1 0 243.314 1.086 50 0 BDAARO O=C(NCCC[NH+]1CCCC1)c1ccncc1 ZINC000040465496 182167325 /nfs/dbraw/zinc/16/73/25/182167325.db2.gz VLTKAHIUIZBRAV-UHFFFAOYSA-N 1 0 233.315 1.297 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)Nc1cn[nH]c1 ZINC000065417909 182185775 /nfs/dbraw/zinc/18/57/75/182185775.db2.gz LSGNJTKJDVHOHJ-UHFFFAOYSA-N 1 0 237.307 1.017 50 0 BDAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000069531619 182242665 /nfs/dbraw/zinc/24/26/65/182242665.db2.gz ZUNOIAHSHRIFMG-LLVKDONJSA-N 1 0 245.326 1.296 50 0 BDAARO O=C(NCc1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000062112370 182250266 /nfs/dbraw/zinc/25/02/66/182250266.db2.gz RJUXTJGBTSDAFT-JTQLQIEISA-N 1 0 222.263 1.051 50 0 BDAARO Brc1cnc([C@@H]2CCC[NH2+]C2)nc1 ZINC000070946902 374234335 /nfs/dbraw/zinc/23/43/35/374234335.db2.gz LUSUBOWVVQUTIJ-SSDOTTSWSA-N 1 0 242.120 1.706 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCC[C@H]1c1cccnc1 ZINC000036136124 182615384 /nfs/dbraw/zinc/61/53/84/182615384.db2.gz UUVCFGNAOUPLMA-STQMWFEESA-N 1 0 245.326 1.497 50 0 BDAARO CCOCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000057621871 170389138 /nfs/dbraw/zinc/38/91/38/170389138.db2.gz HNUQNGBZKGXJMQ-UHFFFAOYSA-N 1 0 237.299 1.884 50 0 BDAARO O=c1ccc2[nH]cc(C3=CC[NH2+]CC3)c2[nH]1 ZINC000000004439 183001084 /nfs/dbraw/zinc/00/10/84/183001084.db2.gz PJYVGMRFPFNZCT-UHFFFAOYSA-N 1 0 215.256 1.233 50 0 in-vitro BDAARO OC1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000036167799 183027335 /nfs/dbraw/zinc/02/73/35/183027335.db2.gz OKHRMNMMGNXNTR-UHFFFAOYSA-N 1 0 249.310 1.808 50 0 BDAARO OC1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000000757818 183027926 /nfs/dbraw/zinc/02/79/26/183027926.db2.gz CSFZTATWHZMFQG-HWOCKDDLSA-N 1 0 201.335 1.385 50 0 BDAARO OCCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000170871539 183049591 /nfs/dbraw/zinc/04/95/91/183049591.db2.gz RQPXGFULTAOPPA-UHFFFAOYSA-N 1 0 248.370 1.971 50 0 BDAARO OCC1(C[NH2+]C[C@H]2CC=CCC2)CCOCC1 ZINC000097229530 183034921 /nfs/dbraw/zinc/03/49/21/183034921.db2.gz SGCIMBLYZMKSJC-ZDUSSCGKSA-N 1 0 239.359 1.721 50 0 BDAARO OCCC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000079090837 183053847 /nfs/dbraw/zinc/05/38/47/183053847.db2.gz IAPNZBICPKVPBY-ZDUSSCGKSA-N 1 0 235.327 1.912 50 0 BDAARO OCCOCC[NH2+]CC1CCCCC1 ZINC000010436496 183084549 /nfs/dbraw/zinc/08/45/49/183084549.db2.gz ZRBFSJZCDPJSTC-UHFFFAOYSA-N 1 0 201.310 1.165 50 0 BDAARO OCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004202967 183094027 /nfs/dbraw/zinc/09/40/27/183094027.db2.gz KVOKJZAQCLKPGS-ZDUSSCGKSA-N 1 0 205.301 1.891 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](OC)C1 ZINC000154416432 169006058 /nfs/dbraw/zinc/00/60/58/169006058.db2.gz PGEXQASYADFSLS-QWRGUYRKSA-N 1 0 228.336 1.141 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000095428306 183118630 /nfs/dbraw/zinc/11/86/30/183118630.db2.gz QQUURVGEBUAIAW-LLVKDONJSA-N 1 0 249.310 1.620 50 0 BDAARO CCCC[C@H](NC(=O)CC[NH3+])C1CCC1 ZINC000225464229 169010440 /nfs/dbraw/zinc/01/04/40/169010440.db2.gz QCAJRGAEYFFSFY-NSHDSACASA-N 1 0 212.337 1.810 50 0 BDAARO OC[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000034927135 183127502 /nfs/dbraw/zinc/12/75/02/183127502.db2.gz CAPQIHOUMBRMTA-ONGXEEELSA-N 1 0 211.692 1.635 50 0 BDAARO OC[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccon1 ZINC000097101698 183146846 /nfs/dbraw/zinc/14/68/46/183146846.db2.gz YYTXOHFZKQRKHI-PWSUYJOCSA-N 1 0 224.304 1.705 50 0 BDAARO OC[C@H]1CCCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000225597909 183149272 /nfs/dbraw/zinc/14/92/72/183149272.db2.gz ZLAWFWDQNQZKOG-KGLIPLIRSA-N 1 0 241.375 1.774 50 0 BDAARO OC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000069895850 183150758 /nfs/dbraw/zinc/15/07/58/183150758.db2.gz OSEAZCIPVIVMLF-OLZOCXBDSA-N 1 0 239.290 1.316 50 0 BDAARO OC[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000098089092 183155972 /nfs/dbraw/zinc/15/59/72/183155972.db2.gz CAPQIHOUMBRMTA-MWLCHTKSSA-N 1 0 211.692 1.635 50 0 BDAARO CCCN(C)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000087221949 169058655 /nfs/dbraw/zinc/05/86/55/169058655.db2.gz HTLDGZNTGDVFGG-GHMZBOCLSA-N 1 0 212.337 1.762 50 0 BDAARO O[C@@H](COCc1ccco1)C[NH+]1CCCC1 ZINC000000540041 183182361 /nfs/dbraw/zinc/18/23/61/183182361.db2.gz IAICTQOJDXPPLB-LLVKDONJSA-N 1 0 225.288 1.253 50 0 BDAARO O[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000061707900 183198077 /nfs/dbraw/zinc/19/80/77/183198077.db2.gz NHJLEQHHJSNQGA-LLVKDONJSA-N 1 0 207.273 1.132 50 0 BDAARO CCC[N@H+](C)CCC(=O)NC(C)(C)COC ZINC000071900150 169075965 /nfs/dbraw/zinc/07/59/65/169075965.db2.gz GTTMERDJGFWZTB-UHFFFAOYSA-N 1 0 230.352 1.260 50 0 BDAARO O[C@@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000048060733 183191845 /nfs/dbraw/zinc/19/18/45/183191845.db2.gz JPWVACHVTKYLFT-GFCCVEGCSA-N 1 0 239.290 1.661 50 0 BDAARO O[C@H](C[NH2+]Cc1ccco1)COc1ccccc1 ZINC000002487520 183224548 /nfs/dbraw/zinc/22/45/48/183224548.db2.gz XWAFEMUPOVKNGE-GFCCVEGCSA-N 1 0 247.294 1.809 50 0 BDAARO O[C@H](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000041242410 183227800 /nfs/dbraw/zinc/22/78/00/183227800.db2.gz QEMFQKAVIRRLIK-WCQYABFASA-N 1 0 223.291 1.729 50 0 BDAARO O[C@@H](C[N@@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000006618344 183234384 /nfs/dbraw/zinc/23/43/84/183234384.db2.gz UXDSNEZYZXMQEY-STQMWFEESA-N 1 0 221.300 1.177 50 0 BDAARO O[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238218 183236037 /nfs/dbraw/zinc/23/60/37/183236037.db2.gz WYDTVQAJCGVUPS-NSHDSACASA-N 1 0 209.264 1.782 50 0 BDAARO CCCN(CCC[NH+](C)C)C(=O)CCCOC ZINC000170605738 169155859 /nfs/dbraw/zinc/15/58/59/169155859.db2.gz AYQYVRVROCAVDZ-UHFFFAOYSA-N 1 0 244.379 1.603 50 0 BDAARO CCC[NH+]1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008733383 169190740 /nfs/dbraw/zinc/19/07/40/169190740.db2.gz ADQXPGUBBIISIK-UHFFFAOYSA-N 1 0 234.347 1.257 50 0 biogenic BDAARO c1c[nH]c(C[NH+]2CCC3(CCOCC3)CC2)n1 ZINC000097743554 183324801 /nfs/dbraw/zinc/32/48/01/183324801.db2.gz RCEGEWGMLSXYKE-UHFFFAOYSA-N 1 0 235.331 1.802 50 0 BDAARO CCC[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000013324199 169201645 /nfs/dbraw/zinc/20/16/45/169201645.db2.gz QMORCQDUZUBZSG-UHFFFAOYSA-N 1 0 224.348 1.731 50 0 BDAARO CCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000032667825 169202018 /nfs/dbraw/zinc/20/20/18/169202018.db2.gz ZOVPHSXAOIKATM-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO CCCN1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000044114105 169202612 /nfs/dbraw/zinc/20/26/12/169202612.db2.gz IJMONBQVWBHMJT-GFCCVEGCSA-N 1 0 228.380 1.421 50 0 BDAARO CCC[N@@H+]1CC[C@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000267391371 169207363 /nfs/dbraw/zinc/20/73/63/169207363.db2.gz VBVQZLRDZNCYJR-GFCCVEGCSA-N 1 0 249.358 1.785 50 0 BDAARO c1cn(Cc2ccncc2)c(C2CC[NH2+]CC2)n1 ZINC000096032237 183356336 /nfs/dbraw/zinc/35/63/36/183356336.db2.gz VLKRAFGVWXWDHN-UHFFFAOYSA-N 1 0 242.326 1.793 50 0 BDAARO CCC[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000019965269 169255203 /nfs/dbraw/zinc/25/52/03/169255203.db2.gz VWQWZAXKWGABQX-UHFFFAOYSA-N 1 0 214.309 1.607 50 0 BDAARO c1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1 ZINC000000117404 183385603 /nfs/dbraw/zinc/38/56/03/183385603.db2.gz UMFMHSLRNJBGKO-UHFFFAOYSA-N 1 0 246.339 1.615 50 0 in-vitro BDAARO CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000044874145 169240888 /nfs/dbraw/zinc/24/08/88/169240888.db2.gz VNSZUXOFFGQDGS-LLVKDONJSA-N 1 0 212.337 1.777 50 0 BDAARO CCCNC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000052635686 169246429 /nfs/dbraw/zinc/24/64/29/169246429.db2.gz OVWPOWRGBGCWIR-NSHDSACASA-N 1 0 212.337 1.633 50 0 BDAARO c1ccc(-c2nnc(SC3C[NH2+]C3)o2)cc1 ZINC000095908582 183384817 /nfs/dbraw/zinc/38/48/17/183384817.db2.gz WVOUOLRSDONVED-UHFFFAOYSA-N 1 0 233.296 1.801 50 0 BDAARO CCCO[C@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091487097 169312439 /nfs/dbraw/zinc/31/24/39/169312439.db2.gz SGFBJSRGSXYHQE-MRVPVSSYSA-N 1 0 238.335 1.903 50 0 BDAARO CCCOc1c(OC)cc(CC[NH3+])cc1OC ZINC000027298999 169313537 /nfs/dbraw/zinc/31/35/37/169313537.db2.gz HYWLMSUAZVDUFW-UHFFFAOYSA-N 1 0 239.315 1.994 50 0 BDAARO CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000057218705 169291502 /nfs/dbraw/zinc/29/15/02/169291502.db2.gz VUTULUPDGBEPBY-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO c1nc2ccccc2n1[C@@H]1CCC[NH2+]C1 ZINC000002577372 183455688 /nfs/dbraw/zinc/45/56/88/183455688.db2.gz JUMOLFANWQYULP-SNVBAGLBSA-N 1 0 201.273 1.961 50 0 BDAARO CCC[C@@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000192843697 169366986 /nfs/dbraw/zinc/36/69/86/169366986.db2.gz VJKRDPNZJKYCSF-GFCCVEGCSA-N 1 0 242.363 1.356 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccco1 ZINC000036873271 169386827 /nfs/dbraw/zinc/38/68/27/169386827.db2.gz ZULDIRWTCUHTJW-SNVBAGLBSA-N 1 0 210.277 1.365 50 0 BDAARO c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000376758875 183541535 /nfs/dbraw/zinc/54/15/35/183541535.db2.gz RVMXZYYYDUIPDQ-YFKTTZPYSA-N 1 0 232.331 1.371 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[NH2+]C[C@H]21 ZINC000012506745 166657451 /nfs/dbraw/zinc/65/74/51/166657451.db2.gz ITVHTQLHEQGQNG-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO CCC[C@H]1CN(C(=O)CSC)C[C@@H]1[NH+](C)C ZINC000091475430 169527389 /nfs/dbraw/zinc/52/73/89/169527389.db2.gz ZQNLNQXUMRFPNF-QWRGUYRKSA-N 1 0 244.404 1.538 50 0 BDAARO Brc1ccccc1N1CC[NH2+]CC1 ZINC000002518325 532972039 /nfs/dbraw/zinc/97/20/39/532972039.db2.gz JVTRURBMYILQDA-UHFFFAOYSA-N 1 0 241.132 1.859 50 0 BDAARO Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1 ZINC000000154176 383836622 /nfs/dbraw/zinc/83/66/22/383836622.db2.gz PUMOKCFNAGLGPN-UHFFFAOYSA-N 1 0 239.340 1.521 50 0 BDAARO CC[C@@H]([NH3+])Cn1c2ccccc2oc1=O ZINC000035605735 383863524 /nfs/dbraw/zinc/86/35/24/383863524.db2.gz KUYKXSZTGRADJQ-MRVPVSSYSA-N 1 0 206.245 1.332 50 0 BDAARO Cc1[nH]ccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000530936995 383830219 /nfs/dbraw/zinc/83/02/19/383830219.db2.gz FFDHXQFEXQGIQH-LBPRGKRZSA-N 1 0 249.358 1.783 50 0 BDAARO [NH3+][C@@H]1CC[C@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000091546467 383917645 /nfs/dbraw/zinc/91/76/45/383917645.db2.gz BUANGQNRIZHFLG-GXFFZTMASA-N 1 0 230.311 1.656 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000158408787 383923671 /nfs/dbraw/zinc/92/36/71/383923671.db2.gz WGDKAKVWPOYGSF-NXEZZACHSA-N 1 0 230.377 1.373 50 0 BDAARO C[NH+](C)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000000858823 383882692 /nfs/dbraw/zinc/88/26/92/383882692.db2.gz UQGWPPVDSPYVJV-UHFFFAOYSA-N 1 0 237.255 1.134 50 0 BDAARO [NH3+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000001566179 383906139 /nfs/dbraw/zinc/90/61/39/383906139.db2.gz RRBRWAPWPGAJMA-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 in-vivo BDAARO C[NH2+]Cc1ccc2cc(OC)ccc2n1 ZINC000034626690 383982054 /nfs/dbraw/zinc/98/20/54/383982054.db2.gz XLSRULYGLWOXTA-UHFFFAOYSA-N 1 0 202.257 1.963 50 0 BDAARO CCOc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000050246097 383986707 /nfs/dbraw/zinc/98/67/07/383986707.db2.gz KLJYPIDPNZDXLL-NSHDSACASA-N 1 0 248.326 1.506 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000050245876 383986983 /nfs/dbraw/zinc/98/69/83/383986983.db2.gz ICQBGGWIJTXCMK-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO COc1ccc(C[C@@H](C)[NH3+])c(OC)c1OC ZINC000002015689 383944444 /nfs/dbraw/zinc/94/44/44/383944444.db2.gz LWDQPPLPHGXYLG-MRVPVSSYSA-N 1 0 225.288 1.602 50 0 BDAARO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH3+] ZINC000002454833 383964103 /nfs/dbraw/zinc/96/41/03/383964103.db2.gz DNRVVNWLPSBPDV-MNOVXSKESA-N 1 0 223.316 1.899 50 0 BDAARO [NH3+]C[C@H](O)COc1ccc(Br)cc1 ZINC000002454811 383964505 /nfs/dbraw/zinc/96/45/05/383964505.db2.gz DIKDJHYQDCIPPK-QMMMGPOBSA-N 1 0 246.104 1.148 50 0 BDAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH3+])cc1 ZINC000002454817 383964663 /nfs/dbraw/zinc/96/46/63/383964663.db2.gz LPNCSYWIVAILJB-NSHDSACASA-N 1 0 223.316 1.683 50 0 BDAARO CC[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000002507141 383967385 /nfs/dbraw/zinc/96/73/85/383967385.db2.gz CTCGRXDGXGUOTE-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO COc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000002513136 383968080 /nfs/dbraw/zinc/96/80/80/383968080.db2.gz HRMYEAQYLDCUGG-UHFFFAOYSA-N 1 0 207.273 1.826 50 0 in-vitro BDAARO c1cnc(-c2noc([C@H]3CCCC[NH2+]3)n2)cn1 ZINC000037370108 383973212 /nfs/dbraw/zinc/97/32/12/383973212.db2.gz TZVUBATUIKZLNO-MRVPVSSYSA-N 1 0 231.259 1.341 50 0 BDAARO COCCc1ccc(OCCCC[NH3+])cc1 ZINC000037429188 383973986 /nfs/dbraw/zinc/97/39/86/383973986.db2.gz RTTLRVPOYKREGD-UHFFFAOYSA-N 1 0 223.316 1.993 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(Br)cc1 ZINC000002554001 383974202 /nfs/dbraw/zinc/97/42/02/383974202.db2.gz RETMUAMXYIIWAQ-QMMMGPOBSA-N 1 0 216.078 1.441 50 0 BDAARO C[C@@H]([NH3+])C(=O)N(C)Cc1cc(F)c(F)c(F)c1 ZINC000158237463 383974534 /nfs/dbraw/zinc/97/45/34/383974534.db2.gz AKOACTBEJLPMAJ-ZCFIWIBFSA-N 1 0 246.232 1.410 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)cc1C ZINC000004907033 384088550 /nfs/dbraw/zinc/08/85/50/384088550.db2.gz SJDABVIJVJWDGO-UHFFFAOYSA-N 1 0 220.316 1.595 50 0 BDAARO CCCC[NH+](CCCC)C[C@@H](O)COC ZINC000005503513 384117857 /nfs/dbraw/zinc/11/78/57/384117857.db2.gz UOSJUJZBHZNUAQ-GFCCVEGCSA-N 1 0 217.353 1.896 50 0 BDAARO C[C@H]([NH3+])C1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000091304351 384118959 /nfs/dbraw/zinc/11/89/59/384118959.db2.gz IPJFQICBBQIQRT-VIFPVBQESA-N 1 0 244.335 1.096 50 0 BDAARO FC(F)(F)c1ccnc(N2CCC[NH2+]CC2)c1 ZINC000039320646 384112075 /nfs/dbraw/zinc/11/20/75/384112075.db2.gz XXPJGABAFZCZLT-UHFFFAOYSA-N 1 0 245.248 1.900 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2[NH2+]CCC[C@H]21 ZINC000091302530 384114946 /nfs/dbraw/zinc/11/49/46/384114946.db2.gz FDFLOMHRKLYFOT-RKDXNWHRSA-N 1 0 212.293 1.358 50 0 BDAARO CCc1cc(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)no1 ZINC000091586965 384133479 /nfs/dbraw/zinc/13/34/79/384133479.db2.gz GZACISKAHOZECY-MNOVXSKESA-N 1 0 249.314 1.046 50 0 BDAARO O=C1Nc2ccccc2C12CC[NH2+]CC2 ZINC000040443084 384151799 /nfs/dbraw/zinc/15/17/99/384151799.db2.gz SXOVJOBXZPCKRA-UHFFFAOYSA-N 1 0 202.257 1.260 50 0 BDAARO c1cn(CC[NH2+]Cc2ccsc2)cn1 ZINC000041041874 384175886 /nfs/dbraw/zinc/17/58/86/384175886.db2.gz IUWNGAYDHMHWNG-UHFFFAOYSA-N 1 0 207.302 1.734 50 0 BDAARO Cc1ccsc1[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849893 384160072 /nfs/dbraw/zinc/16/00/72/384160072.db2.gz GYRJLSVWJCHMOY-JQWIXIFHSA-N 1 0 241.356 1.859 50 0 BDAARO CC(C)[N@@H+]1CCN(C2CCC2)C[C@@H]1CCO ZINC000071405669 384165049 /nfs/dbraw/zinc/16/50/49/384165049.db2.gz ZIVOOGUGHVGUFA-ZDUSSCGKSA-N 1 0 226.364 1.316 50 0 BDAARO c1ccc2c(c1)OCCCN2CC1=[NH+]CCN1 ZINC000071773775 384177340 /nfs/dbraw/zinc/17/73/40/384177340.db2.gz JUHNUSRYCUYSHY-UHFFFAOYSA-N 1 0 231.299 1.277 50 0 BDAARO [NH3+]C[C@]1(F)CCCN(Cc2ccccc2)C1 ZINC000072267030 384204714 /nfs/dbraw/zinc/20/47/14/384204714.db2.gz RCHUWSZENOUOPP-CYBMUJFWSA-N 1 0 222.307 1.949 50 0 BDAARO C[C@@]1(F)CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000336267281 384195369 /nfs/dbraw/zinc/19/53/69/384195369.db2.gz CVAWVNMVMKMVAZ-GHMZBOCLSA-N 1 0 217.284 1.226 50 0 BDAARO C[C@@H](C(=O)N(C)C)[NH+]1CCC(CF)CC1 ZINC000336273994 384196456 /nfs/dbraw/zinc/19/64/56/384196456.db2.gz BDVSYFAEPIRMNC-VIFPVBQESA-N 1 0 216.300 1.145 50 0 BDAARO c1ccc2c(c1)CCN2C[C@H]1CC[NH2+]C1 ZINC000042783435 384245489 /nfs/dbraw/zinc/24/54/89/384245489.db2.gz AWHKFFSMZCYUBM-NSHDSACASA-N 1 0 202.301 1.659 50 0 BDAARO CSCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000132817138 384255702 /nfs/dbraw/zinc/25/57/02/384255702.db2.gz BAKZHOJLQAKQKX-UHFFFAOYSA-N 1 0 244.404 1.778 50 0 BDAARO CSc1ccc(C[NH2+]CCOCCO)cc1 ZINC000010436220 384274442 /nfs/dbraw/zinc/27/44/42/384274442.db2.gz FXCDDGYSXWJXHD-UHFFFAOYSA-N 1 0 241.356 1.507 50 0 BDAARO C[C@H]1CN(C(=O)[C@]2(F)CC[NH2+]C2)c2ccccc21 ZINC000408519310 384276205 /nfs/dbraw/zinc/27/62/05/384276205.db2.gz UAEQALDQGIHDHN-HZMBPMFUSA-N 1 0 248.301 1.838 50 0 BDAARO C[NH+](C)CCCOc1ccc(CO)cc1 ZINC000012370626 384314069 /nfs/dbraw/zinc/31/40/69/384314069.db2.gz ZLCIFBOMXUAJPZ-UHFFFAOYSA-N 1 0 209.289 1.509 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000012505303 384322663 /nfs/dbraw/zinc/32/26/63/384322663.db2.gz NYGXZCRPVBPJTA-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO Cc1cc(C(F)(F)F)n(C[C@H](C)C[NH3+])n1 ZINC000012395528 384317650 /nfs/dbraw/zinc/31/76/50/384317650.db2.gz KXBCPRSVJPVCNI-ZCFIWIBFSA-N 1 0 221.226 1.805 50 0 BDAARO CC(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000083037121 384278655 /nfs/dbraw/zinc/27/86/55/384278655.db2.gz BGLLVXGVNSLWBQ-CMPLNLGQSA-N 1 0 222.263 1.099 50 0 BDAARO CN(CC(F)F)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000133266509 384282586 /nfs/dbraw/zinc/28/25/86/384282586.db2.gz PTZMODSRVRCKFB-SNVBAGLBSA-N 1 0 242.269 1.280 50 0 BDAARO CCc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011754423 384295352 /nfs/dbraw/zinc/29/53/52/384295352.db2.gz JGFUOIRULJSEEM-LBPRGKRZSA-N 1 0 218.300 1.940 50 0 BDAARO [NH3+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000012957636 384344269 /nfs/dbraw/zinc/34/42/69/384344269.db2.gz SWDAVNPCXAGELD-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO O=C(C1CC1)N1CCN(Cc2ccncc2)CC1 ZINC000032721390 384366323 /nfs/dbraw/zinc/36/63/23/384366323.db2.gz MFONDRWPCKKFML-UHFFFAOYSA-N 1 0 245.326 1.136 50 0 BDAARO CCOCC[N@@H+]1CC[C@H](OC(C)=O)[C@H](C)C1 ZINC000004338386 384326941 /nfs/dbraw/zinc/32/69/41/384326941.db2.gz MHUCZGOYYLQXQM-PWSUYJOCSA-N 1 0 229.320 1.296 50 0 BDAARO Cc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000005023106 384392786 /nfs/dbraw/zinc/39/27/86/384392786.db2.gz QHMFTZKRMSJNFO-LLVKDONJSA-N 1 0 209.289 1.296 50 0 BDAARO CC(C)(C)OC(=O)NC1(C(F)(F)F)C[NH2+]C1 ZINC000095743527 384393018 /nfs/dbraw/zinc/39/30/18/384393018.db2.gz SIADIFBYRRWVJY-UHFFFAOYSA-N 1 0 240.225 1.415 50 0 BDAARO COC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000095937849 384417496 /nfs/dbraw/zinc/41/74/96/384417496.db2.gz LGVWUDVZXPVUMU-UHFFFAOYSA-N 1 0 212.293 1.218 50 0 BDAARO [NH3+]Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000014000198 384380909 /nfs/dbraw/zinc/38/09/09/384380909.db2.gz VQHVEECMNCLZGU-GFCCVEGCSA-N 1 0 207.273 1.703 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH3+])C[C@@H]2C1 ZINC000076685640 384382014 /nfs/dbraw/zinc/38/20/14/384382014.db2.gz LLTJKZQPTQJCDC-HBNTYKKESA-N 1 0 240.347 1.981 50 0 BDAARO c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000097159075 384384480 /nfs/dbraw/zinc/38/44/80/384384480.db2.gz ANAZDIGVXWZBJE-WDEREUQCSA-N 1 0 218.304 1.515 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]C[C@]2(C)C1 ZINC000096372399 384456115 /nfs/dbraw/zinc/45/61/15/384456115.db2.gz RKITXPQOOVWRNA-JOYOIKCWSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)s1 ZINC000016602792 384462131 /nfs/dbraw/zinc/46/21/31/384462131.db2.gz DPPVSKMGOQVENW-UHFFFAOYSA-N 1 0 212.318 1.348 50 0 BDAARO Cc1nc2cc(C)ccn2c1CN1CC[NH2+]CC1 ZINC000019361905 384516531 /nfs/dbraw/zinc/51/65/31/384516531.db2.gz GQVOQYUSGMSHBQ-UHFFFAOYSA-N 1 0 244.342 1.356 50 0 BDAARO CCc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019408832 384521610 /nfs/dbraw/zinc/52/16/10/384521610.db2.gz JGFUOIRULJSEEM-GFCCVEGCSA-N 1 0 218.300 1.940 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1 ZINC000019434340 384521867 /nfs/dbraw/zinc/52/18/67/384521867.db2.gz NHVVWMMAUCSGQC-GFCCVEGCSA-N 1 0 220.316 1.628 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]1 ZINC000019409426 384522883 /nfs/dbraw/zinc/52/28/83/384522883.db2.gz GHPBLQMIVDJABJ-GFCCVEGCSA-N 1 0 218.300 1.397 50 0 BDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000019840621 384543825 /nfs/dbraw/zinc/54/38/25/384543825.db2.gz HOLFKYFPAJFTQK-ZJUUUORDSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1nccn1C ZINC000095448836 384620101 /nfs/dbraw/zinc/62/01/01/384620101.db2.gz XFLLQRMVUJIIJC-GHMZBOCLSA-N 1 0 249.314 1.615 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@]1(C)CCC[NH2+]1 ZINC000082370850 384674598 /nfs/dbraw/zinc/67/45/98/384674598.db2.gz JJWXOBCPVLKGMO-LLVKDONJSA-N 1 0 214.309 1.653 50 0 BDAARO CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000095452823 384658071 /nfs/dbraw/zinc/65/80/71/384658071.db2.gz SDPSGVJOTFDWEW-GHMZBOCLSA-N 1 0 225.336 1.132 50 0 BDAARO CC(C)n1cc(NC(=O)C2([NH3+])CCCC2)cn1 ZINC000061683553 384661416 /nfs/dbraw/zinc/66/14/16/384661416.db2.gz KMGUYILYJAGMPU-UHFFFAOYSA-N 1 0 236.319 1.674 50 0 BDAARO C[C@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000097108767 384706734 /nfs/dbraw/zinc/70/67/34/384706734.db2.gz OVBDUJMULIVHQI-AAEUAGOBSA-N 1 0 237.347 1.510 50 0 BDAARO CN(Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000021949666 384708670 /nfs/dbraw/zinc/70/86/70/384708670.db2.gz UKDGSWVIHDBVMN-CYBMUJFWSA-N 1 0 219.332 1.513 50 0 BDAARO CCN(CC)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000085959648 384771739 /nfs/dbraw/zinc/77/17/39/384771739.db2.gz MXSWRWPOQWDTMD-SNVBAGLBSA-N 1 0 215.341 1.411 50 0 BDAARO C[C@@H]([NH3+])c1cccc(N2CCNC2=O)c1 ZINC000083684241 384788718 /nfs/dbraw/zinc/78/87/18/384788718.db2.gz PMCPAVYDLLPCEE-MRVPVSSYSA-N 1 0 205.261 1.236 50 0 BDAARO OC[C@H]1C[N@@H+](C2CCCC2)CCC1(F)F ZINC000336031938 384793687 /nfs/dbraw/zinc/79/36/87/384793687.db2.gz QHUQEYCKDAFZNX-SECBINFHSA-N 1 0 219.275 1.879 50 0 BDAARO [NH3+][C@@H](Cc1c[nH]cn1)Cc1ccccc1 ZINC000054788511 384854138 /nfs/dbraw/zinc/85/41/38/384854138.db2.gz GSKOLHDIRSAPQQ-LLVKDONJSA-N 1 0 201.273 1.522 50 0 BDAARO c1cn(CCC[NH2+][C@H]2CCSC2)cn1 ZINC000002498922 384950556 /nfs/dbraw/zinc/95/05/56/384950556.db2.gz XXYSQCSZIHXPEC-JTQLQIEISA-N 1 0 211.334 1.368 50 0 BDAARO c1ccc(C[C@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894922 384920181 /nfs/dbraw/zinc/92/01/81/384920181.db2.gz BSRABLAVRKDCRM-ZDUSSCGKSA-N 1 0 216.328 1.665 50 0 BDAARO [NH3+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000057214323 384931304 /nfs/dbraw/zinc/93/13/04/384931304.db2.gz LBYPZAJJZOBPHA-LBPRGKRZSA-N 1 0 218.300 1.699 50 0 BDAARO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000061883014 384988878 /nfs/dbraw/zinc/98/88/78/384988878.db2.gz NIJQILQTVXBQMS-VXGBXAGGSA-N 1 0 218.300 1.544 50 0 BDAARO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCO ZINC000004655695 384995527 /nfs/dbraw/zinc/99/55/27/384995527.db2.gz CKNGVACMCYSSFS-PWSUYJOCSA-N 1 0 209.289 1.345 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000255522830 385031349 /nfs/dbraw/zinc/03/13/49/385031349.db2.gz DBIXCYCRBQPHRB-RXNFCKPNSA-N 1 0 248.301 1.646 50 0 BDAARO CSCC[C@@H]([NH3+])C(=O)N(C)CC(F)(F)F ZINC000157176425 385095041 /nfs/dbraw/zinc/09/50/41/385095041.db2.gz WAYLEBXUWVIUGZ-ZCFIWIBFSA-N 1 0 244.282 1.088 50 0 BDAARO COC[C@H](O)C[N@H+](C)Cc1c(C)cccc1C ZINC000096424648 385165163 /nfs/dbraw/zinc/16/51/63/385165163.db2.gz KLMZJUMJCDFJGR-CYBMUJFWSA-N 1 0 237.343 1.743 50 0 BDAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000096441705 385168293 /nfs/dbraw/zinc/16/82/93/385168293.db2.gz ZBXZXYBPSXPNKN-BDAKNGLRSA-N 1 0 216.350 1.078 50 0 BDAARO C[C@@H]1[NH2+]CCn2c(C(=O)NC3CC3)ccc21 ZINC000032626984 385175824 /nfs/dbraw/zinc/17/58/24/385175824.db2.gz DQLYPAXIZYQVRV-QMMMGPOBSA-N 1 0 219.288 1.045 50 0 BDAARO [NH3+][C@H]1CCOc2ccc(Cl)cc2[C@H]1O ZINC000062571392 385176249 /nfs/dbraw/zinc/17/62/49/385176249.db2.gz JBXZVDCLOHBTJT-WCBMZHEXSA-N 1 0 213.664 1.483 50 0 BDAARO c1cncc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084486 385206819 /nfs/dbraw/zinc/20/68/19/385206819.db2.gz FSAVHWONONJMNU-JTQLQIEISA-N 1 0 244.298 1.674 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC000065406649 385306150 /nfs/dbraw/zinc/30/61/50/385306150.db2.gz ZXXDZSVRCVQGKT-NSHDSACASA-N 1 0 246.314 1.392 50 0 BDAARO Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000050228303 385310311 /nfs/dbraw/zinc/31/03/11/385310311.db2.gz CUOLHIQNQXSGJA-GFCCVEGCSA-N 1 0 218.300 1.097 50 0 BDAARO Cc1ccc(CN2CC[C@H]([NH3+])C2)c(C)c1 ZINC000050227772 385312070 /nfs/dbraw/zinc/31/20/70/385312070.db2.gz AJIVUONCSPBTEM-ZDUSSCGKSA-N 1 0 204.317 1.836 50 0 BDAARO Cc1ccc(C)c(OCCC[NH2+]CCO)c1C ZINC000002931706 385284431 /nfs/dbraw/zinc/28/44/31/385284431.db2.gz CHANVTGGZGBLHQ-UHFFFAOYSA-N 1 0 237.343 1.963 50 0 BDAARO O=C1Nc2ccccc2CN1C1CC[NH2+]CC1 ZINC000034613928 385287698 /nfs/dbraw/zinc/28/76/98/385287698.db2.gz KSTFHYBYFDYWSD-UHFFFAOYSA-N 1 0 231.299 1.786 50 0 BDAARO COC[C@@H]1CCC[N@@H+]1Cc1cc(OC)ccn1 ZINC000154490584 385330649 /nfs/dbraw/zinc/33/06/49/385330649.db2.gz FULBXCLNQSXIQA-LBPRGKRZSA-N 1 0 236.315 1.701 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3F)C[C@H]12 ZINC000225582505 385482215 /nfs/dbraw/zinc/48/22/15/385482215.db2.gz WQCDREVBENQVAS-SUZMYJTESA-N 1 0 248.301 1.635 50 0 BDAARO FC(F)(F)c1cc(C2CC[NH2+]CC2)[nH]n1 ZINC000019686196 385513862 /nfs/dbraw/zinc/51/38/62/385513862.db2.gz JPCKFRDIOLETDV-UHFFFAOYSA-N 1 0 219.210 1.896 50 0 BDAARO O=C1OC2(CC[NH2+]CC2)c2ccc(F)cc21 ZINC000095643097 385548039 /nfs/dbraw/zinc/54/80/39/385548039.db2.gz ARKQQEOEWIQJBC-UHFFFAOYSA-N 1 0 221.231 1.575 50 0 BDAARO COc1cc(F)ccc1O[C@H]1C[C@H]([NH3+])C1 ZINC000250284846 385599365 /nfs/dbraw/zinc/59/93/65/385599365.db2.gz QQDAZVRXJYFPIG-KYZUINATSA-N 1 0 211.236 1.703 50 0 BDAARO c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000250650910 385603812 /nfs/dbraw/zinc/60/38/12/385603812.db2.gz PYVXWWICILLOFY-KBPBESRZSA-N 1 0 216.328 1.870 50 0 BDAARO c1ccc2sc(OC3C[NH2+]C3)nc2c1 ZINC000062810154 385630589 /nfs/dbraw/zinc/63/05/89/385630589.db2.gz XTCUSZQOWVSYIX-UHFFFAOYSA-N 1 0 206.270 1.647 50 0 BDAARO c1cn(C[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)cn1 ZINC000216546568 385868497 /nfs/dbraw/zinc/86/84/97/385868497.db2.gz GQOIXIXHFLESDJ-GFCCVEGCSA-N 1 0 245.330 1.518 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000124424060 385978739 /nfs/dbraw/zinc/97/87/39/385978739.db2.gz COAIMXDGZOXBKM-KTRBRXNASA-N 1 0 244.338 1.829 50 0 BDAARO Cn1cccc1-c1noc([C@@H]2CC[NH2+]C2)n1 ZINC000221521977 386005933 /nfs/dbraw/zinc/00/59/33/386005933.db2.gz FSECBVMJGXGOAU-MRVPVSSYSA-N 1 0 218.260 1.152 50 0 BDAARO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)[nH]1 ZINC000223167284 386078400 /nfs/dbraw/zinc/07/84/00/386078400.db2.gz BJWFYFDFGDFCDS-GFCCVEGCSA-N 1 0 249.358 1.791 50 0 BDAARO CCO[C@H](C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000132239674 386230028 /nfs/dbraw/zinc/23/00/28/386230028.db2.gz QSDKDDAXPFYOOC-STQMWFEESA-N 1 0 248.326 1.324 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000132609734 386246251 /nfs/dbraw/zinc/24/62/51/386246251.db2.gz CQCHPPQTOYLZOV-SNVBAGLBSA-N 1 0 237.303 1.115 50 0 BDAARO CSC[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237364798 386374161 /nfs/dbraw/zinc/37/41/61/386374161.db2.gz SJGDZAHHCYMHQE-AXFHLTTASA-N 1 0 244.404 1.571 50 0 BDAARO Cn1cccc1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000585129882 386684653 /nfs/dbraw/zinc/68/46/53/386684653.db2.gz APTSWXIKAXDCJX-NWDGAFQWSA-N 1 0 249.358 1.484 50 0 BDAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)/C=C/c1ccccn1 ZINC000237484419 386753103 /nfs/dbraw/zinc/75/31/03/386753103.db2.gz OFKCSVFTJRDARB-AIIUZBJTSA-N 1 0 245.326 1.433 50 0 BDAARO O=C(C1CCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000032787928 386819961 /nfs/dbraw/zinc/81/99/61/386819961.db2.gz VTZHAIQLUMEJNS-UHFFFAOYSA-N 1 0 236.359 1.873 50 0 BDAARO C[NH+](C)C[C@H]1CN(CC2CCCC2)CCO1 ZINC000075133136 386984711 /nfs/dbraw/zinc/98/47/11/386984711.db2.gz MUHVJCIWALFETQ-ZDUSSCGKSA-N 1 0 226.364 1.439 50 0 BDAARO O=C1NCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000050394937 387049851 /nfs/dbraw/zinc/04/98/51/387049851.db2.gz HQRHDQPVEPQPJE-ZDUSSCGKSA-N 1 0 230.311 1.022 50 0 BDAARO CCc1cc(N[C@H](C(N)=O)C(C)C)nc(C)n1 ZINC000227866915 387057445 /nfs/dbraw/zinc/05/74/45/387057445.db2.gz UHWBSMKGKNEJFP-NSHDSACASA-N 1 0 236.319 1.269 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC000053202496 387021189 /nfs/dbraw/zinc/02/11/89/387021189.db2.gz FWDWZBZMROSCBJ-CYBMUJFWSA-N 1 0 232.327 1.819 50 0 BDAARO O=c1c2ccccc2[nH]c2c1C[NH2+]CC2 ZINC000072221261 387127145 /nfs/dbraw/zinc/12/71/45/387127145.db2.gz NUUBNNNBFLEJOG-UHFFFAOYSA-N 1 0 200.241 1.174 50 0 BDAARO Cc1cc(C[NH+]2CCN(C)CC2)c(C)[nH]1 ZINC000022875023 387149093 /nfs/dbraw/zinc/14/90/93/387149093.db2.gz XXTLPBYHKDCOHH-UHFFFAOYSA-N 1 0 207.321 1.379 50 0 BDAARO CS(=O)(=O)c1ccc(CSC(N)=[NH2+])cc1 ZINC000004973072 387234720 /nfs/dbraw/zinc/23/47/20/387234720.db2.gz CJIMZXPXMYGSNV-UHFFFAOYSA-N 1 0 244.341 1.217 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000369450156 387196343 /nfs/dbraw/zinc/19/63/43/387196343.db2.gz BOZRNHAQKWLPIJ-MXWKQRLJSA-N 1 0 210.321 1.515 50 0 BDAARO COC(=O)c1ccoc1C[N@@H+]1CC[C@H](C)C1 ZINC000075581978 387295807 /nfs/dbraw/zinc/29/58/07/387295807.db2.gz DSYGVSNVJRDYII-VIFPVBQESA-N 1 0 223.272 1.908 50 0 BDAARO C([C@@H]1CCCO1)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000076710123 387450987 /nfs/dbraw/zinc/45/09/87/387450987.db2.gz ANHZODBVTUMFQD-AVGNSLFASA-N 1 0 225.332 1.809 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C[C@@H]1C[C@@H]1C)C(C)C ZINC000118967687 387475797 /nfs/dbraw/zinc/47/57/97/387475797.db2.gz INTCXZSOEZECBY-DCAQKATOSA-N 1 0 212.337 1.617 50 0 BDAARO C/C=C(/C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000156541358 387478989 /nfs/dbraw/zinc/47/89/89/387478989.db2.gz YSCOJTNVPYCWEG-BMMYIHMSSA-N 1 0 210.321 1.538 50 0 BDAARO C[NH+](C)C[C@@H](O)[C@H]1CCOC(C)(C)C1 ZINC000000374801 387487324 /nfs/dbraw/zinc/48/73/24/387487324.db2.gz JIWIONXENNGZDF-VHSXEESVSA-N 1 0 201.310 1.114 50 0 biogenic BDAARO C[NH+]1CCC(OC(=O)c2ccccc2)CC1 ZINC000000521322 387730841 /nfs/dbraw/zinc/73/08/41/387730841.db2.gz ITBIONVQXMUSAI-UHFFFAOYSA-N 1 0 219.284 1.938 50 0 BDAARO [NH3+]CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000012351524 387848797 /nfs/dbraw/zinc/84/87/97/387848797.db2.gz QZDXYUNJNAFZPH-UHFFFAOYSA-N 1 0 219.210 1.738 50 0 BDAARO COC[C@H](O)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000070558939 387858845 /nfs/dbraw/zinc/85/88/45/387858845.db2.gz BKTGPACBUSIXSN-GXSJLCMTSA-N 1 0 227.304 1.554 50 0 BDAARO Cc1cc(C(F)(F)F)n(CCC[NH3+])n1 ZINC000072209502 177830112 /nfs/dbraw/zinc/83/01/12/177830112.db2.gz QBXXUVMGSAVQGZ-UHFFFAOYSA-N 1 0 207.199 1.559 50 0 BDAARO Cn1nccc1C[N@H+](C)C1CCOCC1 ZINC000347497347 387993071 /nfs/dbraw/zinc/99/30/71/387993071.db2.gz YTFVCUPBNQNPMH-UHFFFAOYSA-N 1 0 209.293 1.031 50 0 BDAARO O=C(CC1CCCCC1)NCC[NH2+]C1CC1 ZINC000054265966 388058773 /nfs/dbraw/zinc/05/87/73/388058773.db2.gz LIQARAYJJVOREQ-UHFFFAOYSA-N 1 0 224.348 1.825 50 0 BDAARO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cn1 ZINC000042508995 388095847 /nfs/dbraw/zinc/09/58/47/388095847.db2.gz JUEBQXQSQLNUPP-GFCCVEGCSA-N 1 0 247.342 1.604 50 0 BDAARO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)o1 ZINC000050228595 177764294 /nfs/dbraw/zinc/76/42/94/177764294.db2.gz XGZGZXZKIVGGDW-SECBINFHSA-N 1 0 208.261 1.070 50 0 BDAARO CC(C)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000057287987 388356788 /nfs/dbraw/zinc/35/67/88/388356788.db2.gz YAYKLCBHEWPFDV-AWEZNQCLSA-N 1 0 248.370 1.932 50 0 BDAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCOCCO ZINC000075837654 388356873 /nfs/dbraw/zinc/35/68/73/388356873.db2.gz AEKYJAVJPHURDG-UPJWGTAASA-N 1 0 227.348 1.648 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC000057828823 388368113 /nfs/dbraw/zinc/36/81/13/388368113.db2.gz ZOLBMLNQTXXNHL-NSHDSACASA-N 1 0 212.337 1.776 50 0 BDAARO CCn1c2[n+](c3ccccc3c1=O)CCC2 ZINC000003230885 388369898 /nfs/dbraw/zinc/36/98/98/388369898.db2.gz BPSHLASNTALBPF-UHFFFAOYSA-N 1 0 215.276 1.255 50 0 BDAARO Cc1cnn(CC[NH+]2CCCCC2)c(=O)c1 ZINC000195434542 388471511 /nfs/dbraw/zinc/47/15/11/388471511.db2.gz YUENXSXNRNAUNP-UHFFFAOYSA-N 1 0 221.304 1.038 50 0 BDAARO C[NH+](C)CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000002295536 388593374 /nfs/dbraw/zinc/59/33/74/388593374.db2.gz AHAMEVHMSNMAHB-ZDUSSCGKSA-N 1 0 222.332 1.261 50 0 BDAARO Cn1cncc1C[NH2+][C@H]1COc2ccccc2C1 ZINC000237944957 388596077 /nfs/dbraw/zinc/59/60/77/388596077.db2.gz YIXCPQXSZHBULW-GFCCVEGCSA-N 1 0 243.310 1.513 50 0 BDAARO CC[C@H](C)C[NH+]1CCN(c2cnccn2)CC1 ZINC000154362010 388613451 /nfs/dbraw/zinc/61/34/51/388613451.db2.gz CXHUBMRVWGKDLU-LBPRGKRZSA-N 1 0 234.347 1.645 50 0 BDAARO CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246091505 388616718 /nfs/dbraw/zinc/61/67/18/388616718.db2.gz VEZMAIZBAWLWCC-MNOVXSKESA-N 1 0 227.352 1.378 50 0 BDAARO CCC1(CC)[C@H]([NH2+][C@H](C)CO)C[C@@H]1OC ZINC000108329891 388618910 /nfs/dbraw/zinc/61/89/10/388618910.db2.gz LKRFGQWJECYRMS-MXWKQRLJSA-N 1 0 215.337 1.551 50 0 BDAARO CSCC[C@@H](C)[N@H+](C)C[C@@H](O)CSC ZINC000230145322 388634911 /nfs/dbraw/zinc/63/49/11/388634911.db2.gz SUZYDANAZUAQSX-NXEZZACHSA-N 1 0 237.434 1.784 50 0 BDAARO CS[C@H](C)CC[NH2+]Cc1cnn(C)c1C ZINC000095975147 388797656 /nfs/dbraw/zinc/79/76/56/388797656.db2.gz ASDOEZOLJCSANB-SECBINFHSA-N 1 0 227.377 1.960 50 0 BDAARO C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)n1cccc1 ZINC000096004700 388800893 /nfs/dbraw/zinc/80/08/93/388800893.db2.gz CXZBEOXRJWEUES-STQMWFEESA-N 1 0 249.358 1.459 50 0 BDAARO Cc1noc(C)c1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037408366 388758947 /nfs/dbraw/zinc/75/89/47/388758947.db2.gz MWBGWRCKXKXMNE-LBPRGKRZSA-N 1 0 249.358 1.865 50 0 BDAARO [NH3+][C@H](CNC(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000095394019 388765248 /nfs/dbraw/zinc/76/52/48/388765248.db2.gz JUVRQDHITBRRKD-LLVKDONJSA-N 1 0 240.253 1.432 50 0 BDAARO CC1(C)C[N@H+](Cc2cccs2)C[C@H]1O ZINC000279739207 388774443 /nfs/dbraw/zinc/77/44/43/388774443.db2.gz KJOZWSRKXPBVAA-SNVBAGLBSA-N 1 0 211.330 1.951 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000096999974 388829710 /nfs/dbraw/zinc/82/97/10/388829710.db2.gz CURUKLLKOQSWEH-SSDOTTSWSA-N 1 0 248.311 1.491 50 0 BDAARO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc[nH]n1)C2 ZINC000097084964 388832639 /nfs/dbraw/zinc/83/26/39/388832639.db2.gz RGCFPWAAAUUQPS-ZWNOBZJWSA-N 1 0 249.314 1.185 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000299747205 388846589 /nfs/dbraw/zinc/84/65/89/388846589.db2.gz CIVRZTKJHNIDGS-SYEHKZFSSA-N 1 0 236.359 1.761 50 0 BDAARO C[C@@H]1CCCCN1c1ncccc1C[NH3+] ZINC000022213538 132332600 /nfs/dbraw/zinc/33/26/00/132332600.db2.gz KVIWSTMOQOLQKW-SNVBAGLBSA-N 1 0 205.305 1.919 50 0 BDAARO c1ccc2c(c1)CCCN2[C@H]1CC[NH2+]C1 ZINC000042783322 132352619 /nfs/dbraw/zinc/35/26/19/132352619.db2.gz CAMDWIRSSVRHNB-LBPRGKRZSA-N 1 0 202.301 1.801 50 0 BDAARO Cc1ccc(N2CCC[C@H]([NH3+])C2=O)cc1 ZINC000070061957 132391189 /nfs/dbraw/zinc/39/11/89/132391189.db2.gz ALFRLDRBHXSXKE-NSHDSACASA-N 1 0 204.273 1.449 50 0 BDAARO COc1ccc(Cl)c(N2CC[NH2+]CC2)c1 ZINC000043318000 132297720 /nfs/dbraw/zinc/29/77/20/132297720.db2.gz GNNSHUNRDUGDAT-UHFFFAOYSA-N 1 0 226.707 1.758 50 0 BDAARO CC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000000029076 132312243 /nfs/dbraw/zinc/31/22/43/132312243.db2.gz KPXVKKBJROCIJB-UHFFFAOYSA-N 1 0 204.273 1.299 50 0 BDAARO COc1cc(OC)cc(N2CC[NH2+]CC2)c1 ZINC000002389995 132314742 /nfs/dbraw/zinc/31/47/42/132314742.db2.gz COWMQOCYJSUFSB-UHFFFAOYSA-N 1 0 222.288 1.113 50 0 BDAARO c1n[nH]cc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000032550955 132335590 /nfs/dbraw/zinc/33/55/90/132335590.db2.gz CZXYPLOWUJIZFP-UHFFFAOYSA-N 1 0 228.299 1.486 50 0 BDAARO CC[NH+]1CCN(c2cncc(Cl)n2)CC1 ZINC000042256412 132350876 /nfs/dbraw/zinc/35/08/76/132350876.db2.gz LGJTTWBZECQVPK-UHFFFAOYSA-N 1 0 226.711 1.272 50 0 BDAARO Cc1ccc(N2CCN(CCC[NH3+])CC2)cc1C ZINC000045796297 132354965 /nfs/dbraw/zinc/35/49/65/132354965.db2.gz IAWRXRPLGYLTJB-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO c1cnc(-c2ccc(N3CC[NH2+]CC3)cc2)nc1 ZINC000071250554 132392035 /nfs/dbraw/zinc/39/20/35/132392035.db2.gz GGBNTKYMFUYSSO-UHFFFAOYSA-N 1 0 240.310 1.553 50 0 BDAARO CCC(C)(C)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000078895309 135251096 /nfs/dbraw/zinc/25/10/96/135251096.db2.gz JLGVYENMQWORNN-QWRGUYRKSA-N 1 0 226.364 1.831 50 0 BDAARO CC(C)([NH3+])C(=O)Nc1cnc2c(c1)CCCC2 ZINC000335357476 136074548 /nfs/dbraw/zinc/07/45/48/136074548.db2.gz JCDDDRXLZIMEQK-UHFFFAOYSA-N 1 0 233.315 1.636 50 0 BDAARO CCN1c2ccccc2[C@H]2C[NH2+]CC[C@@H]21 ZINC000238276446 397921124 /nfs/dbraw/zinc/92/11/24/397921124.db2.gz GZYIJZZKJIPDMP-YPMHNXCESA-N 1 0 202.301 1.972 50 0 BDAARO COCCn1c(N)[nH+]cc1-c1cccc(OC)c1 ZINC000020442326 397964644 /nfs/dbraw/zinc/96/46/44/397964644.db2.gz XGXPZVVXNQUALU-UHFFFAOYSA-N 1 0 247.298 1.787 50 0 BDAARO c1cnn(CC[NH2+]Cc2cccs2)c1 ZINC000042351687 398014071 /nfs/dbraw/zinc/01/40/71/398014071.db2.gz HIGHJPURYXZWND-UHFFFAOYSA-N 1 0 207.302 1.734 50 0 BDAARO CN(CC[NH+]1CCCCC1)C(=O)c1cccn1C ZINC000585090604 487574397 /nfs/dbraw/zinc/57/43/97/487574397.db2.gz WZVDVUWXDNUGID-UHFFFAOYSA-N 1 0 249.358 1.583 50 0 BDAARO CC(C)OCCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000095351197 167213147 /nfs/dbraw/zinc/21/31/47/167213147.db2.gz CQQPRXUJDMNYIY-ZDUSSCGKSA-N 1 0 229.364 1.896 50 0 BDAARO CC(C)OCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000059386477 167231410 /nfs/dbraw/zinc/23/14/10/167231410.db2.gz IEQVABYZGWZFHQ-AWEZNQCLSA-N 1 0 240.391 1.972 50 0 BDAARO CC(C)OCC[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000069632228 167243491 /nfs/dbraw/zinc/24/34/91/167243491.db2.gz MTUSFQZZHYOOJT-NEPJUHHUSA-N 1 0 225.336 1.847 50 0 BDAARO O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CCCCC1 ZINC000065508116 409992839 /nfs/dbraw/zinc/99/28/39/409992839.db2.gz SQAFWZCANLYDGJ-LLVKDONJSA-N 1 0 242.338 1.869 50 0 BDAARO CC(C)(C)C(=O)Nc1ccc(OCC(N)=[NH2+])cc1 ZINC000079112072 166533587 /nfs/dbraw/zinc/53/35/87/166533587.db2.gz XYYALBOCOHEBLG-UHFFFAOYSA-N 1 0 249.314 1.986 50 0 BDAARO CC(C)(C)C[C@H](CO)[NH2+]C1CCOCC1 ZINC000090589766 166602277 /nfs/dbraw/zinc/60/22/77/166602277.db2.gz DHDWSHWTOMSSLL-LLVKDONJSA-N 1 0 215.337 1.552 50 0 BDAARO CC(C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000001669904 167006042 /nfs/dbraw/zinc/00/60/42/167006042.db2.gz SBBNAFRSDCJWNS-CYBMUJFWSA-N 1 0 207.317 1.836 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)C[S@](=O)c1ccccc1 ZINC000096027602 167111068 /nfs/dbraw/zinc/11/10/68/167111068.db2.gz ZLIQXOGPWGCZES-BDJLRTHQSA-N 1 0 241.356 1.153 50 0 BDAARO CC(C)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000002451063 167115561 /nfs/dbraw/zinc/11/55/61/167115561.db2.gz IMHNLBMRIAQKAX-ZDUSSCGKSA-N 1 0 223.316 1.562 50 0 BDAARO CC[NH+](CC)CCSc1nncn1C ZINC000006757736 169783927 /nfs/dbraw/zinc/78/39/27/169783927.db2.gz YIDSDNDLAVMOFD-UHFFFAOYSA-N 1 0 214.338 1.249 50 0 BDAARO CC(C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000095420254 167379915 /nfs/dbraw/zinc/37/99/15/167379915.db2.gz VWTMHHSJAYPOSU-CQSZACIVSA-N 1 0 241.423 1.648 50 0 BDAARO CC(C)[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020185497 167383772 /nfs/dbraw/zinc/38/37/72/167383772.db2.gz IMUUPJFMASNEJA-SNVBAGLBSA-N 1 0 218.304 1.863 50 0 BDAARO CC(C)[C@@H](CNC(=O)C1CCC1)[NH+](C)C ZINC000042030069 167399473 /nfs/dbraw/zinc/39/94/73/167399473.db2.gz MFSMMHBLNFYMAF-LLVKDONJSA-N 1 0 212.337 1.489 50 0 BDAARO CC(C)=CC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000046860379 411085097 /nfs/dbraw/zinc/08/50/97/411085097.db2.gz KJLLGEWAPLGRDA-GFCCVEGCSA-N 1 0 224.348 1.943 50 0 BDAARO C=CC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004024971 411188773 /nfs/dbraw/zinc/18/87/73/411188773.db2.gz AFHWXJWAWBDGFQ-NWDGAFQWSA-N 1 0 223.316 1.980 50 0 biogenic BDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ncnn1C ZINC000152611481 168103458 /nfs/dbraw/zinc/10/34/58/168103458.db2.gz OWMKWDJAEDGDTD-NWDGAFQWSA-N 1 0 234.347 1.897 50 0 BDAARO C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000032642344 168174671 /nfs/dbraw/zinc/17/46/71/168174671.db2.gz JNXFJJKTJNRQGC-LBPRGKRZSA-N 1 0 224.348 1.729 50 0 BDAARO CC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000007636317 168182392 /nfs/dbraw/zinc/18/23/92/168182392.db2.gz NONRDJQWNCDDJR-GFCCVEGCSA-N 1 0 229.364 1.894 50 0 BDAARO CC1CC[NH+](Cc2csc(N)n2)CC1 ZINC000003426828 168184015 /nfs/dbraw/zinc/18/40/15/168184015.db2.gz WIYHPSFMAFAWFG-UHFFFAOYSA-N 1 0 211.334 1.957 50 0 BDAARO CCC(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000049344891 168233351 /nfs/dbraw/zinc/23/33/51/168233351.db2.gz IRJKAGHYTWTFOF-UHFFFAOYSA-N 1 0 229.283 1.899 50 0 BDAARO CCNC(=O)CC[NH2+]Cc1ccccc1Cl ZINC000019737023 170052864 /nfs/dbraw/zinc/05/28/64/170052864.db2.gz WKAHVSVIAWNZJV-UHFFFAOYSA-N 1 0 240.734 1.956 50 0 BDAARO CCNC(=O)NCc1nccn1CC(C)C ZINC000080600518 170081484 /nfs/dbraw/zinc/08/14/84/170081484.db2.gz ZYBJAOKFHPLQRT-UHFFFAOYSA-N 1 0 224.308 1.358 50 0 BDAARO c1cc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n[nH]1 ZINC000655855156 411537699 /nfs/dbraw/zinc/53/76/99/411537699.db2.gz DBESMMQDQGOTIH-OLZOCXBDSA-N 1 0 234.347 1.516 50 0 BDAARO c1cc(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n[nH]1 ZINC000655855158 411537767 /nfs/dbraw/zinc/53/77/67/411537767.db2.gz DBESMMQDQGOTIH-STQMWFEESA-N 1 0 234.347 1.516 50 0 BDAARO CCOC(=O)CCC[NH+]1CCC(CO)CC1 ZINC000058159332 170201048 /nfs/dbraw/zinc/20/10/48/170201048.db2.gz TWCFEWFLZWQLPH-UHFFFAOYSA-N 1 0 229.320 1.034 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000000330776 170234008 /nfs/dbraw/zinc/23/40/08/170234008.db2.gz CUMDNQXYGSSDHW-VIFPVBQESA-N 1 0 237.255 1.368 50 0 BDAARO CCOC(=O)N1CCC([NH2+]C2CC2)CC1 ZINC000000757798 170239037 /nfs/dbraw/zinc/23/90/37/170239037.db2.gz XDXLQMQBEHGMOY-UHFFFAOYSA-N 1 0 212.293 1.359 50 0 BDAARO CCOC(=O)[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000026500787 170259428 /nfs/dbraw/zinc/25/94/28/170259428.db2.gz KKESSUGZTMZMJU-QWHCGFSZSA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000048580809 170279522 /nfs/dbraw/zinc/27/95/22/170279522.db2.gz GWYHGMXRVCSETJ-RYUDHWBXSA-N 1 0 241.331 1.441 50 0 BDAARO CCOC(=O)c1c(N)c2c[nH+]ccc2n1C ZINC000096029614 170289074 /nfs/dbraw/zinc/28/90/74/170289074.db2.gz MYTSBPSETKCJIW-UHFFFAOYSA-N 1 0 219.244 1.332 50 0 BDAARO CCOC(=O)c1cc2n(c1)CCC[NH2+]C2 ZINC000095725628 170294783 /nfs/dbraw/zinc/29/47/83/170294783.db2.gz LSFWTZYBADLVSP-UHFFFAOYSA-N 1 0 208.261 1.158 50 0 BDAARO CCOC(=O)c1cccc(C[N@H+](C)CCO)c1 ZINC000036108832 170298630 /nfs/dbraw/zinc/29/86/30/170298630.db2.gz APGCIFZSWAFVPR-UHFFFAOYSA-N 1 0 237.299 1.287 50 0 BDAARO CCOC(=O)c1sc(C[NH3+])nc1C ZINC000011887478 170310735 /nfs/dbraw/zinc/31/07/35/170310735.db2.gz AQVCYUVTTLBJJD-UHFFFAOYSA-N 1 0 200.263 1.087 50 0 BDAARO CCOCCCN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000160033448 170371924 /nfs/dbraw/zinc/37/19/24/170371924.db2.gz KRTRIBQWEZQEFR-NEPJUHHUSA-N 1 0 240.347 1.014 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000071920057 170398507 /nfs/dbraw/zinc/39/85/07/170398507.db2.gz ZHHJFRXPADBSCU-NEPJUHHUSA-N 1 0 215.337 1.648 50 0 BDAARO CCn1nccc1C[NH2+]Cc1cccnc1C ZINC000663347977 411633161 /nfs/dbraw/zinc/63/31/61/411633161.db2.gz CJMXZHOJGIKAJR-UHFFFAOYSA-N 1 0 230.315 1.896 50 0 BDAARO CCO[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000250524777 170479124 /nfs/dbraw/zinc/47/91/24/170479124.db2.gz QQWJPRVNTDSSPR-GRYCIOLGSA-N 1 0 240.347 1.141 50 0 BDAARO CC[C@@H]1CCN(C(=O)c2ccc(C[NH3+])nc2C)C1 ZINC000097032467 171006184 /nfs/dbraw/zinc/00/61/84/171006184.db2.gz KTDQSHJXGVNLAN-LLVKDONJSA-N 1 0 247.342 1.721 50 0 BDAARO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000245225266 171057589 /nfs/dbraw/zinc/05/75/89/171057589.db2.gz RAFJKSXQFOUAIH-VWYCJHECSA-N 1 0 210.321 1.433 50 0 BDAARO CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000036768900 171070981 /nfs/dbraw/zinc/07/09/81/171070981.db2.gz ABTCGKSMBXKPHM-CYBMUJFWSA-N 1 0 248.326 1.396 50 0 BDAARO CC[C@@](C)([NH2+]Cc1ccc(F)cc1)C(N)=O ZINC000095415764 171176678 /nfs/dbraw/zinc/17/66/78/171176678.db2.gz AHBHCVDAGYSXCI-GFCCVEGCSA-N 1 0 224.279 1.569 50 0 BDAARO CC[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000251940531 171248463 /nfs/dbraw/zinc/24/84/63/171248463.db2.gz SKFDEUREFZEDAD-GARJFASQSA-N 1 0 212.337 1.618 50 0 BDAARO CCc1ccc(CN2CC[NH2+]CC2)s1 ZINC000019477438 171799114 /nfs/dbraw/zinc/79/91/14/171799114.db2.gz PJDNHMNFKBAHHY-UHFFFAOYSA-N 1 0 210.346 1.716 50 0 BDAARO CCc1nn(C)c(Cl)c1CN1CC[NH2+]CC1 ZINC000068587406 172039705 /nfs/dbraw/zinc/03/97/05/172039705.db2.gz ABIXOWLPIOOLAA-UHFFFAOYSA-N 1 0 242.754 1.041 50 0 BDAARO CCn1cc([C@@H](O)C[NH2+]Cc2ccccc2)cn1 ZINC000096300606 172196427 /nfs/dbraw/zinc/19/64/27/172196427.db2.gz RTMDUWKNXQWQAN-AWEZNQCLSA-N 1 0 245.326 1.726 50 0 BDAARO CCn1nccc1C[N@H+](C)CCc1ccccn1 ZINC000120813050 172263649 /nfs/dbraw/zinc/26/36/49/172263649.db2.gz HXZGIVJACVFJRK-UHFFFAOYSA-N 1 0 244.342 1.973 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000004290581 172324653 /nfs/dbraw/zinc/32/46/53/172324653.db2.gz XYKYUXYNQDXZTD-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 BDAARO CN(C(=O)[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019519433 172326901 /nfs/dbraw/zinc/32/69/01/172326901.db2.gz JNMRHWKPYILJHP-LBPRGKRZSA-N 1 0 224.348 1.920 50 0 BDAARO CN(C(=O)[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000019519434 172332833 /nfs/dbraw/zinc/33/28/33/172332833.db2.gz JNMRHWKPYILJHP-GFCCVEGCSA-N 1 0 224.348 1.920 50 0 BDAARO CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019410433 172333785 /nfs/dbraw/zinc/33/37/85/172333785.db2.gz YCESJHZNGLTWIU-NSHDSACASA-N 1 0 224.348 1.777 50 0 BDAARO CN(C(=O)c1cccc(F)c1F)[C@H]1CC[NH2+]C1 ZINC000054188572 172342212 /nfs/dbraw/zinc/34/22/12/172342212.db2.gz XBAHQIHEKLCLTR-QMMMGPOBSA-N 1 0 240.253 1.399 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993486 172366128 /nfs/dbraw/zinc/36/61/28/172366128.db2.gz ZYTCHPULVNLSGP-CYBMUJFWSA-N 1 0 232.327 1.912 50 0 BDAARO CN(C)C(=O)c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000019686735 172392187 /nfs/dbraw/zinc/39/21/87/172392187.db2.gz HEQBZDATXQNXGS-JTQLQIEISA-N 1 0 233.315 1.250 50 0 BDAARO C[NH+](C)[C@@H](CNC(=O)c1cccs1)C1CC1 ZINC000040555203 172520150 /nfs/dbraw/zinc/52/01/50/172520150.db2.gz ZYMDCUZOLOCHED-JTQLQIEISA-N 1 0 238.356 1.818 50 0 BDAARO CN(C[C@H]1CCC[NH2+]1)C(=O)OC(C)(C)C ZINC000071790501 172828392 /nfs/dbraw/zinc/82/83/92/172828392.db2.gz LVAKRZOPSFPOGC-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000004413667 173003351 /nfs/dbraw/zinc/00/33/51/173003351.db2.gz KVMMWTKZVKMMRR-UHFFFAOYSA-N 1 0 231.299 1.264 50 0 BDAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc[nH]1)CC2 ZINC000067432572 173003495 /nfs/dbraw/zinc/00/34/95/173003495.db2.gz WIKRSYPSYDGKIP-UHFFFAOYSA-N 1 0 247.342 1.573 50 0 BDAARO C[N@@H+]1CCCN(c2ccncc2Cl)CC1 ZINC000267324373 173019544 /nfs/dbraw/zinc/01/95/44/173019544.db2.gz ASQRUHUHNVAVNF-UHFFFAOYSA-N 1 0 225.723 1.877 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC1 ZINC000071870361 173033546 /nfs/dbraw/zinc/03/35/46/173033546.db2.gz SLQPWQCNZATHKA-OLZOCXBDSA-N 1 0 236.359 1.872 50 0 BDAARO C[N@@H+]1CCC[C@H]1CNC(=O)CC(F)(F)F ZINC000065516630 173053136 /nfs/dbraw/zinc/05/31/36/173053136.db2.gz VAGYHHDLERIVKB-ZETCQYMHSA-N 1 0 224.226 1.149 50 0 BDAARO CN1CCC[C@](O)(C[N@H+](C)C2CCCCC2)C1 ZINC000041124016 173062976 /nfs/dbraw/zinc/06/29/76/173062976.db2.gz LSJPAXOHVZTAFI-CQSZACIVSA-N 1 0 240.391 1.708 50 0 BDAARO CN1CCO[C@@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000082491908 173103509 /nfs/dbraw/zinc/10/35/09/173103509.db2.gz NCBJESZPBKSTSV-LBPRGKRZSA-N 1 0 224.348 1.095 50 0 BDAARO CN1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1=O ZINC000097212531 173155371 /nfs/dbraw/zinc/15/53/71/173155371.db2.gz LAZWSECFEGSKIR-STQMWFEESA-N 1 0 248.301 1.633 50 0 BDAARO CNC(=O)CSCC[C@@H]1CCCC[N@@H+]1C ZINC000225446066 173279559 /nfs/dbraw/zinc/27/95/59/173279559.db2.gz ZNPQFDXPINJAJN-JTQLQIEISA-N 1 0 230.377 1.340 50 0 BDAARO CNC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000042626418 173291092 /nfs/dbraw/zinc/29/10/92/173291092.db2.gz BACFDFXFWAVPNJ-UHFFFAOYSA-N 1 0 234.303 1.111 50 0 BDAARO C[NH2+]CCc1noc(-c2ccccc2C)n1 ZINC000034928881 173361731 /nfs/dbraw/zinc/36/17/31/173361731.db2.gz XVNRUKWVODFXIW-UHFFFAOYSA-N 1 0 217.272 1.807 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1cc(C)cc(F)c1 ZINC000135230610 173364009 /nfs/dbraw/zinc/36/40/09/173364009.db2.gz ZCTGJNXTRDKGOU-SNVBAGLBSA-N 1 0 238.306 1.719 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC000071144052 173369440 /nfs/dbraw/zinc/36/94/40/173369440.db2.gz UAWSDPQGZFGQJL-LBPRGKRZSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)c1ccncc1F ZINC000122570508 173379912 /nfs/dbraw/zinc/37/99/12/173379912.db2.gz LTYCJAQOEZAMGW-SECBINFHSA-N 1 0 237.278 1.045 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000067801459 173380630 /nfs/dbraw/zinc/38/06/30/173380630.db2.gz WUTNESNBEPKXRB-SECBINFHSA-N 1 0 214.309 1.463 50 0 BDAARO C[NH2+]Cc1ccc(N2CCOCC2)s1 ZINC000012370492 173388738 /nfs/dbraw/zinc/38/87/38/173388738.db2.gz LTBKEKXCWIEXPM-UHFFFAOYSA-N 1 0 212.318 1.304 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000132605861 173432504 /nfs/dbraw/zinc/43/25/04/173432504.db2.gz VSMPTMBOMISOEF-CYBMUJFWSA-N 1 0 247.342 1.225 50 0 BDAARO C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000084248947 173467762 /nfs/dbraw/zinc/46/77/62/173467762.db2.gz FWTHDJLHNCEJBW-UWVGGRQHSA-N 1 0 228.336 1.851 50 0 BDAARO COC(=O)C[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009850 173633378 /nfs/dbraw/zinc/63/33/78/173633378.db2.gz AZWNGBHAODRACF-CMPLNLGQSA-N 1 0 249.310 1.531 50 0 BDAARO COC(=O)[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000004343304 173724080 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UDPOYLGLZMMNEY-ZDUSSCGKSA-N 1 0 226.364 1.583 50 0 BDAARO COc1cc(N[C@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000043324017 175004207 /nfs/dbraw/zinc/00/42/07/175004207.db2.gz QPKNZKVCHDORJB-JTQLQIEISA-N 1 0 236.315 1.868 50 0 BDAARO COc1ccc(/C=C\C(=O)NCC[NH+](C)C)cc1 ZINC000103445172 175047993 /nfs/dbraw/zinc/04/79/93/175047993.db2.gz RVIFEGIFGXTRNO-TWGQIWQCSA-N 1 0 248.326 1.386 50 0 BDAARO COc1ccc(Br)cc1[C@H]([NH3+])CO ZINC000038124702 175051083 /nfs/dbraw/zinc/05/10/83/175051083.db2.gz JIIQSZURHGJXTF-MRVPVSSYSA-N 1 0 246.104 1.450 50 0 BDAARO COc1ccc(C2=NO[C@@H](C[NH3+])C2)cc1F ZINC000083446118 175085679 /nfs/dbraw/zinc/08/56/79/175085679.db2.gz GYNFZWWYGMMAQX-MRVPVSSYSA-N 1 0 224.235 1.286 50 0 BDAARO COc1ccc(CN2CC[NH+](C)CC2)cc1C ZINC000019537000 175099198 /nfs/dbraw/zinc/09/91/98/175099198.db2.gz ZLKDVXJGQGZMSC-UHFFFAOYSA-N 1 0 234.343 1.751 50 0 BDAARO COc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019555423 175099592 /nfs/dbraw/zinc/09/95/92/175099592.db2.gz MGLUVVBFISROAH-UHFFFAOYSA-N 1 0 206.289 1.100 50 0 BDAARO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cn1 ZINC000097108703 175109333 /nfs/dbraw/zinc/10/93/33/175109333.db2.gz XXELWBUAQCNPNZ-JQWIXIFHSA-N 1 0 236.315 1.747 50 0 BDAARO COc1ccc(Cl)cc1C[NH2+]C[C@H](C)O ZINC000006730045 175120685 /nfs/dbraw/zinc/12/06/85/175120685.db2.gz UFQIFJUKTPDMGO-QMMMGPOBSA-N 1 0 229.707 1.819 50 0 BDAARO COc1ccc(Cl)cc1[C@H](O)C[NH3+] ZINC000049812317 175123329 /nfs/dbraw/zinc/12/33/29/175123329.db2.gz QIKOLJVWTMCROP-MRVPVSSYSA-N 1 0 201.653 1.341 50 0 BDAARO COc1ccc(N(C)C(=O)[C@@H](C)[NH3+])cc1F ZINC000237206460 175135233 /nfs/dbraw/zinc/13/52/33/175135233.db2.gz CBMWREMXZODDKG-SSDOTTSWSA-N 1 0 226.251 1.144 50 0 BDAARO COc1ccc(N(C)C(=O)CC[NH3+])cc1OC ZINC000020262347 175135346 /nfs/dbraw/zinc/13/53/46/175135346.db2.gz IUOPHTXPAWNJDP-UHFFFAOYSA-N 1 0 238.287 1.015 50 0 BDAARO COc1ccc(OC)c(C[NH2+]CCCO)c1 ZINC000002450991 175165280 /nfs/dbraw/zinc/16/52/80/175165280.db2.gz KBQVIZVEXGGGGD-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO COc1ccc(OC)c(C[NH2+]C2CC2)c1 ZINC000019255203 175165651 /nfs/dbraw/zinc/16/56/51/175165651.db2.gz MXVSAODVABXUET-UHFFFAOYSA-N 1 0 207.273 1.956 50 0 BDAARO COc1ccc([C@@H](O)CC[NH+](C)C)cc1 ZINC000039395709 175180924 /nfs/dbraw/zinc/18/09/24/175180924.db2.gz UFWCBIPCLNOWPY-LBPRGKRZSA-N 1 0 209.289 1.680 50 0 BDAARO COc1ccc([C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000058217450 175195667 /nfs/dbraw/zinc/19/56/67/175195667.db2.gz DJCQMCYREBSNLY-JQWIXIFHSA-N 1 0 248.326 1.358 50 0 BDAARO COc1ccc2c(c1)O[C@H](C)CN(CC[NH3+])C2 ZINC000299770432 175213647 /nfs/dbraw/zinc/21/36/47/175213647.db2.gz SIXPGUVTOJWMBH-SNVBAGLBSA-N 1 0 236.315 1.237 50 0 BDAARO COc1cccc(N2CCC[NH2+]CC2)c1 ZINC000020439567 175275005 /nfs/dbraw/zinc/27/50/05/175275005.db2.gz BINPOEPJNVMNPQ-UHFFFAOYSA-N 1 0 206.289 1.495 50 0 BDAARO COc1cccc(OC[C@H]2CC[NH2+]C2)c1 ZINC000014632418 175283830 /nfs/dbraw/zinc/28/38/30/175283830.db2.gz LPKYNBRKPVLGDN-JTQLQIEISA-N 1 0 207.273 1.684 50 0 BDAARO COc1cccc([C@@H](C)N2CC[NH2+]CC2)c1 ZINC000020264307 175286781 /nfs/dbraw/zinc/28/67/81/175286781.db2.gz WQVUGNKAOOHKAL-LLVKDONJSA-N 1 0 220.316 1.661 50 0 BDAARO COc1ccccc1/C=C/C(=O)OCC[NH+](C)C ZINC000001769622 175314391 /nfs/dbraw/zinc/31/43/91/175314391.db2.gz RSEUSEHRIIPBNR-CMDGGOBGSA-N 1 0 249.310 1.813 50 0 BDAARO COc1ccccc1CO[C@H]1CC[NH2+]C1 ZINC000014632031 175332090 /nfs/dbraw/zinc/33/20/90/175332090.db2.gz PPGYQXXVEXSEEZ-NSHDSACASA-N 1 0 207.273 1.574 50 0 BDAARO COc1ccccc1[C@@H](C[NH3+])N1CCOCC1 ZINC000019201083 175346064 /nfs/dbraw/zinc/34/60/64/175346064.db2.gz LLHJMZDWRQDJAN-GFCCVEGCSA-N 1 0 236.315 1.027 50 0 BDAARO CS[C@@H]1CCC[C@@H]1N(C)C(=O)CCC[NH3+] ZINC000097019185 175548012 /nfs/dbraw/zinc/54/80/12/175548012.db2.gz RVUVDZGWPBUKQR-VHSXEESVSA-N 1 0 230.377 1.468 50 0 BDAARO C[C@@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000022121072 176018367 /nfs/dbraw/zinc/01/83/67/176018367.db2.gz IWMQSFIWSOPWQP-JTQLQIEISA-N 1 0 208.280 1.792 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCOCCO ZINC000193146398 176051253 /nfs/dbraw/zinc/05/12/53/176051253.db2.gz RNHOWAPWAVDAKI-NEPJUHHUSA-N 1 0 229.364 1.800 50 0 BDAARO C[C@@H]1CC(N)=[NH+]N1c1ccc(Cl)cn1 ZINC000022995865 176052938 /nfs/dbraw/zinc/05/29/38/176052938.db2.gz UVBPMYBQHDMKKL-ZCFIWIBFSA-N 1 0 210.668 1.606 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccncc1 ZINC000046858790 176071529 /nfs/dbraw/zinc/07/15/29/176071529.db2.gz ZPBHAJHNXIMNRR-GFCCVEGCSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@@H]1CCCC[C@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000032777672 176087036 /nfs/dbraw/zinc/08/70/36/176087036.db2.gz ZHAZFLOPOPVTSD-NXEZZACHSA-N 1 0 241.335 1.082 50 0 BDAARO C[C@@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1 ZINC000004592772 176091449 /nfs/dbraw/zinc/09/14/49/176091449.db2.gz ICQRQVGOGYEPCC-SNVBAGLBSA-N 1 0 210.321 1.245 50 0 BDAARO C[C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000010035507 176103365 /nfs/dbraw/zinc/10/33/65/176103365.db2.gz JCIIYWICAJAKSH-GHMZBOCLSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)[C@@H]1C ZINC000237374015 176161727 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/nfs/dbraw/zinc/32/64/25/176326425.db2.gz VTBJEXZMBUWNCI-LLVKDONJSA-N 1 0 238.306 1.498 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[NH2+]1 ZINC000012418147 176451814 /nfs/dbraw/zinc/45/18/14/176451814.db2.gz XBSAFBRZYGZLRO-ZYHUDNBSSA-N 1 0 230.311 1.716 50 0 BDAARO C[C@@H]1N(O)C(C)(C)C(c2ccccc2)[N+]1=O ZINC000000195015 176454128 /nfs/dbraw/zinc/45/41/28/176454128.db2.gz BUAYVMBAEHVRMC-VIFPVBQESA-N 1 0 220.272 1.815 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000237433784 176765781 /nfs/dbraw/zinc/76/57/81/176765781.db2.gz CIVRZTKJHNIDGS-SQNXGDPESA-N 1 0 236.359 1.761 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000069725154 176766752 /nfs/dbraw/zinc/76/67/52/176766752.db2.gz BVXLJWNAGBHENA-VHSXEESVSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000082370856 176773911 /nfs/dbraw/zinc/77/39/11/176773911.db2.gz IDQDGCULZZTIBP-IUCAKERBSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000097103981 176839500 /nfs/dbraw/zinc/83/95/00/176839500.db2.gz KXSABBSWPRZXQW-NWDGAFQWSA-N 1 0 228.380 1.731 50 0 BDAARO C[C@H](Nc1cc[nH+]cc1N)[C@H]1CCCO1 ZINC000035734650 176937697 /nfs/dbraw/zinc/93/76/97/176937697.db2.gz HEVLKRGBQKVEKS-GZMMTYOYSA-N 1 0 207.277 1.643 50 0 BDAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000069814869 177008754 /nfs/dbraw/zinc/00/87/54/177008754.db2.gz PSGAHSBNYBHBII-AAEUAGOBSA-N 1 0 220.316 1.817 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000308844873 177072821 /nfs/dbraw/zinc/07/28/21/177072821.db2.gz OWELMBPGDZNTPM-YUMQZZPRSA-N 1 0 220.263 1.370 50 0 BDAARO C[C@H]1CC(C)(C)CC[C@H]1NC(=O)CC[NH3+] ZINC000225465607 177063286 /nfs/dbraw/zinc/06/32/86/177063286.db2.gz UFBQJLDWTLCMCT-VHSXEESVSA-N 1 0 212.337 1.666 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000032668154 177073720 /nfs/dbraw/zinc/07/37/20/177073720.db2.gz DMSBUSYBLPCOBR-LBPRGKRZSA-N 1 0 224.348 1.873 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCO1 ZINC000046858518 177074484 /nfs/dbraw/zinc/07/44/84/177074484.db2.gz PEIFNWNJZFHQEA-RYUDHWBXSA-N 1 0 240.347 1.156 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnccn1 ZINC000046858888 177075478 /nfs/dbraw/zinc/07/54/78/177075478.db2.gz IIZCYONSWGIGBK-NSHDSACASA-N 1 0 248.330 1.081 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1ncc[nH]1 ZINC000065422117 177075616 /nfs/dbraw/zinc/07/56/16/177075616.db2.gz WAFVKTTVUSCPFF-LBPRGKRZSA-N 1 0 236.363 1.716 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccncc1 ZINC000046858792 177076010 /nfs/dbraw/zinc/07/60/10/177076010.db2.gz ZPBHAJHNXIMNRR-LBPRGKRZSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1C[NH3+] ZINC000069726071 177091470 /nfs/dbraw/zinc/09/14/70/177091470.db2.gz USNYRQTXWQYIHM-JGVFFNPUSA-N 1 0 238.253 1.525 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1C[NH3+] ZINC000070176107 177094936 /nfs/dbraw/zinc/09/49/36/177094936.db2.gz PEORCEXUPLLNEP-CMPLNLGQSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccoc2)[C@@H]1C[NH3+] 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236.281 1.917 50 0 BDAARO Cc1cc(CSC(N)=[NH2+])c(O)c(C)n1 ZINC000003877687 633142666 /nfs/dbraw/zinc/14/26/66/633142666.db2.gz GGJCVUJPVDMRIN-UHFFFAOYSA-N 1 0 211.290 1.531 50 0 BDAARO COc1ccc2c(c1)C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675063918 640960328 /nfs/dbraw/zinc/96/03/28/640960328.db2.gz UARWTXFHULRJFZ-SCZZXKLOSA-N 1 0 207.273 1.594 50 0 BDAARO COc1ccc2c(c1)OC[C@H]([C@H](C)[NH3+])C2 ZINC000675064375 640962754 /nfs/dbraw/zinc/96/27/54/640962754.db2.gz YTYHFNQQGAZMDP-WCBMZHEXSA-N 1 0 207.273 1.594 50 0 BDAARO Cc1cc(N[C@H](C)c2cnn(C)c2)nc(N)[nH+]1 ZINC000032541337 641359118 /nfs/dbraw/zinc/35/91/18/641359118.db2.gz DGYQNQAJAMQKEW-MRVPVSSYSA-N 1 0 232.291 1.274 50 0 BDAARO CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]2CCCC[C@H]12 ZINC000254554982 642441372 /nfs/dbraw/zinc/44/13/72/642441372.db2.gz NEJWOOYTADGXMH-IJLUTSLNSA-N 1 0 210.321 1.385 50 0 BDAARO CN(Cc1ccoc1)C1CC[NH+](C)CC1 ZINC000000201347 642752320 /nfs/dbraw/zinc/75/23/20/642752320.db2.gz AXLATXFTEKNYOZ-UHFFFAOYSA-N 1 0 208.305 1.806 50 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COC(=O)[C@@H]1C[C@H]([NH3+])CC[C@H]1C(C)(C)C ZINC000725359749 711971021 /nfs/dbraw/zinc/97/10/21/711971021.db2.gz QJYMWZOGCQSWAG-OPRDCNLKSA-N 1 0 213.321 1.949 50 0 BDAARO CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccn1 ZINC000828627086 712685475 /nfs/dbraw/zinc/68/54/75/712685475.db2.gz SPRCVGDRABNUQT-CHWSQXEVSA-N 1 0 249.358 1.541 50 0 BDAARO CC(C)(CC[N@@H+]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC000585090624 972134362 /nfs/dbraw/zinc/13/43/62/972134362.db2.gz CCNZJOCNCUEXCC-SNVBAGLBSA-N 1 0 224.348 1.620 50 0 BDAARO CC(C)[NH+]1CCN(c2cccc([C@H](C)O)n2)CC1 ZINC000585133174 972169663 /nfs/dbraw/zinc/16/96/63/972169663.db2.gz YQHVWULPUBRUIN-LBPRGKRZSA-N 1 0 249.358 1.665 50 0 BDAARO CC(C)[NH+]1CCN(c2cccc([C@@H](C)O)n2)CC1 ZINC000585133173 972170001 /nfs/dbraw/zinc/17/00/01/972170001.db2.gz YQHVWULPUBRUIN-GFCCVEGCSA-N 1 0 249.358 1.665 50 0 BDAARO C[NH2+]C1CC(C(=O)NCC[C@H]2CCCCO2)C1 ZINC000693544264 958746295 /nfs/dbraw/zinc/74/62/95/958746295.db2.gz JFPHFAZQBPFXMJ-HTAVTVPLSA-N 1 0 240.347 1.060 50 0 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Cc1nsc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])n1 ZINC000585652149 973921448 /nfs/dbraw/zinc/92/14/48/973921448.db2.gz LHHWWERXNWWLKT-QWRGUYRKSA-N 1 0 247.323 1.850 50 0 BDAARO Cc1ccnc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])n1 ZINC000585651404 973922238 /nfs/dbraw/zinc/92/22/38/973922238.db2.gz LRMGFZCRYIHJCJ-OLZOCXBDSA-N 1 0 241.294 1.789 50 0 BDAARO COc1cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc1O ZINC001506398391 988773897 /nfs/dbraw/zinc/77/38/97/988773897.db2.gz MMEFLRJYZCNCRX-NSHDSACASA-N 1 0 238.287 1.323 50 0 BDAARO COc1nccnc1N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC001506418442 988777700 /nfs/dbraw/zinc/77/77/00/988777700.db2.gz SRCVYBZBQUSDNI-MNOVXSKESA-N 1 0 248.330 1.158 50 0 BDAARO CN(C)[C@H]1CC[N@@H+](C2CSCCSC2)C1 ZINC001506413781 988777760 /nfs/dbraw/zinc/77/77/60/988777760.db2.gz VQMPZIAYMTUUTJ-JTQLQIEISA-N 1 0 246.445 1.471 50 0 BDAARO CCN(CC[NH+]1CCCC1)c1nccc(C)n1 ZINC001529182255 990336807 /nfs/dbraw/zinc/33/68/07/990336807.db2.gz ZQHJJDOMWLPQMW-UHFFFAOYSA-N 1 0 234.347 1.707 50 0 BDAARO OC[C@H]1OCC[N@H+](CC2CC2)[C@@H]1c1ccccc1 ZINC001529179467 990336938 /nfs/dbraw/zinc/33/69/38/990336938.db2.gz YJRXPWOVTHPXOO-HUUCEWRRSA-N 1 0 247.338 1.831 50 0 BDAARO Cn1nccc1C[N@H+](C)CCC[C@H]1CCCO1 ZINC001529185084 990337025 /nfs/dbraw/zinc/33/70/25/990337025.db2.gz JEFQFLIARCBOMO-ZDUSSCGKSA-N 1 0 237.347 1.811 50 0 BDAARO Cc1cc(C)n2nc(CCC[NH3+])cc2n1 ZINC000036378518 177933820 /nfs/dbraw/zinc/93/38/20/177933820.db2.gz IBZAIMSBYLIVRW-UHFFFAOYSA-N 1 0 204.277 1.237 50 0 BDAARO Cc1cc(C)nc(SC2CC[NH2+]CC2)n1 ZINC000020274754 177947763 /nfs/dbraw/zinc/94/77/63/177947763.db2.gz YEFWYTZXWZFKLB-UHFFFAOYSA-N 1 0 223.345 1.938 50 0 BDAARO Cc1cc(C)nc(S[C@H]2CC[NH2+]C2)n1 ZINC000051784273 177948594 /nfs/dbraw/zinc/94/85/94/177948594.db2.gz GOMYRDMIZKCSMG-VIFPVBQESA-N 1 0 209.318 1.547 50 0 BDAARO Cc1cnccc1CN(C)C(=O)[C@H]([NH3+])CC(C)C ZINC000071759193 398158961 /nfs/dbraw/zinc/15/89/61/398158961.db2.gz LKFVSTMSNMFUSA-CYBMUJFWSA-N 1 0 249.358 1.722 50 0 BDAARO CCc1nc(C2([NH3+])CCCC2)[nH]c(=O)c1C 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ZINC000011755083 342843094 /nfs/dbraw/zinc/84/30/94/342843094.db2.gz CRJSKWYWCXWJJM-QMMMGPOBSA-N 1 0 225.317 1.101 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011754415 342843111 /nfs/dbraw/zinc/84/31/11/342843111.db2.gz DTYKOJRBMVPGJT-NSHDSACASA-N 1 0 204.273 1.686 50 0 BDAARO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH3+] ZINC000011957462 342845211 /nfs/dbraw/zinc/84/52/11/342845211.db2.gz NUCTTXNLRMAMNJ-JTQLQIEISA-N 1 0 206.289 1.382 50 0 BDAARO C[C@H](C[NH3+])Cn1ccc(C(F)(F)F)n1 ZINC000012357769 342849748 /nfs/dbraw/zinc/84/97/48/342849748.db2.gz BASYXSJHXKSXBO-ZCFIWIBFSA-N 1 0 207.199 1.497 50 0 BDAARO CC(C)(C)OC(=O)N1CC([NH+]2CCCC2)C1 ZINC000012359356 342849750 /nfs/dbraw/zinc/84/97/50/342849750.db2.gz YQSWCTNNHKPDNK-UHFFFAOYSA-N 1 0 226.320 1.702 50 0 BDAARO Nc1ccc(OCC[NH+]2CCCC2)c(F)c1 ZINC000012399121 342851372 /nfs/dbraw/zinc/85/13/72/342851372.db2.gz ZXDAQTQQLCSQEM-UHFFFAOYSA-N 1 0 224.279 1.883 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@@H](C)[C@H](O)C1 ZINC000225419593 398309959 /nfs/dbraw/zinc/30/99/59/398309959.db2.gz ZTNWUIJERJCSRM-CHWSQXEVSA-N 1 0 228.380 1.421 50 0 BDAARO COC(=O)CN1c2ccccc2N2CCC[NH+]=C12 ZINC000004561374 342894303 /nfs/dbraw/zinc/89/43/03/342894303.db2.gz YFUYFTDZVLADDK-UHFFFAOYSA-N 1 0 245.282 1.246 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC000016604329 342913290 /nfs/dbraw/zinc/91/32/90/342913290.db2.gz ATVDTZHDCZYBNB-UHFFFAOYSA-N 1 0 233.315 1.296 50 0 BDAARO CC(C)[N@@H+]1CC[C@@H](NCc2cccc(O)c2)C1 ZINC000071857576 398331305 /nfs/dbraw/zinc/33/13/05/398331305.db2.gz SBIPQKQIASWNDV-CYBMUJFWSA-N 1 0 234.343 1.965 50 0 BDAARO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000019362063 342946929 /nfs/dbraw/zinc/94/69/29/342946929.db2.gz KPUFYSBGJJQBJI-AAEUAGOBSA-N 1 0 220.316 1.407 50 0 BDAARO Cc1nc2ccc(C)cn2c1CN1CC[NH2+]CC1 ZINC000019230056 342944310 /nfs/dbraw/zinc/94/43/10/342944310.db2.gz FMUCGJYSIRXJAW-UHFFFAOYSA-N 1 0 244.342 1.356 50 0 BDAARO [NH3+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000019369241 342947305 /nfs/dbraw/zinc/94/73/05/342947305.db2.gz CLAGARRWBBUZDR-LBPRGKRZSA-N 1 0 206.289 1.019 50 0 BDAARO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC)C1(C)C ZINC000089985604 398344531 /nfs/dbraw/zinc/34/45/31/398344531.db2.gz HUZUOXIZTNCEQM-WDEREUQCSA-N 1 0 242.363 1.258 50 0 BDAARO Cc1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000019607271 342951762 /nfs/dbraw/zinc/95/17/62/342951762.db2.gz NXGZYSZEGJCWMX-UHFFFAOYSA-N 1 0 234.343 1.105 50 0 BDAARO C[C@@H](Cc1ccc(F)cc1)NC(=O)C1C[NH2+]C1 ZINC000019685950 342953562 /nfs/dbraw/zinc/95/35/62/342953562.db2.gz ZTAXFFFEBCOFFU-VIFPVBQESA-N 1 0 236.290 1.092 50 0 BDAARO O=C(c1ccccc1)N1CCC[NH2+]CC1 ZINC000019679930 342953744 /nfs/dbraw/zinc/95/37/44/342953744.db2.gz OXDBLZCQNCJHHX-UHFFFAOYSA-N 1 0 204.273 1.122 50 0 BDAARO CCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019735210 342955249 /nfs/dbraw/zinc/95/52/49/342955249.db2.gz FUHWWXRPMBXPNY-UHFFFAOYSA-N 1 0 204.317 1.654 50 0 BDAARO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)on1 ZINC000042505045 362004586 /nfs/dbraw/zinc/00/45/86/362004586.db2.gz DRJOIVZHDBSQAN-JTQLQIEISA-N 1 0 237.303 1.197 50 0 BDAARO C[C@H](C[NH2+]CCN1CCOCC1)c1ccccc1 ZINC000020091424 342968720 /nfs/dbraw/zinc/96/87/20/342968720.db2.gz RRFXCFPBHIWTJP-CQSZACIVSA-N 1 0 248.370 1.712 50 0 BDAARO CN(C)c1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000020268681 342979639 /nfs/dbraw/zinc/97/96/39/342979639.db2.gz XGBGLZWCDCSWJD-UHFFFAOYSA-N 1 0 232.287 1.304 50 0 BDAARO CC[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000022143213 343042442 /nfs/dbraw/zinc/04/24/42/343042442.db2.gz FWYCYHLNNZQGIU-SECBINFHSA-N 1 0 206.289 1.674 50 0 BDAARO COc1cc(CC2C[NH2+]C2)cc(OC)c1 ZINC000022159055 343042597 /nfs/dbraw/zinc/04/25/97/343042597.db2.gz JWGKXCYLXPKNAP-UHFFFAOYSA-N 1 0 207.273 1.466 50 0 BDAARO O=C(c1ccc(Cl)cc1F)N1CC[NH2+]CC1 ZINC000021952299 343029601 /nfs/dbraw/zinc/02/96/01/343029601.db2.gz GWHUAVWOVBAHJE-UHFFFAOYSA-N 1 0 242.681 1.525 50 0 BDAARO COC(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000026898439 343110762 /nfs/dbraw/zinc/11/07/62/343110762.db2.gz GRSLQEBUAGDFDU-UHFFFAOYSA-N 1 0 248.326 1.153 50 0 BDAARO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)NC1CC1 ZINC000026907815 343110826 /nfs/dbraw/zinc/11/08/26/343110826.db2.gz BSQANTUEUOLATF-LLVKDONJSA-N 1 0 247.342 1.533 50 0 BDAARO [NH3+]Cc1nc2cc(Br)cnc2[nH]1 ZINC000026460070 343105630 /nfs/dbraw/zinc/10/56/30/343105630.db2.gz QZHUZLIIWQQDAF-UHFFFAOYSA-N 1 0 227.065 1.179 50 0 BDAARO Cn1cc([C@H]([NH3+])c2ccc(F)cc2)cn1 ZINC000026513666 343106379 /nfs/dbraw/zinc/10/63/79/343106379.db2.gz VATVWSAVGRBYFG-LLVKDONJSA-N 1 0 205.236 1.607 50 0 BDAARO CC(C)(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000037996308 343143267 /nfs/dbraw/zinc/14/32/67/343143267.db2.gz HTLYFXALHXMTHY-UHFFFAOYSA-N 1 0 220.316 1.808 50 0 BDAARO CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC1 ZINC000029912407 343152475 /nfs/dbraw/zinc/15/24/75/343152475.db2.gz FXBBRLYLLXPXCB-UHFFFAOYSA-N 1 0 241.335 1.095 50 0 BDAARO C[C@@H]1C[C@H]1c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573264 136281016 /nfs/dbraw/zinc/28/10/16/136281016.db2.gz LBBHKSIASQLRNT-PSASIEDQSA-N 1 0 221.304 1.735 50 0 BDAARO C[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000032013786 343227948 /nfs/dbraw/zinc/22/79/48/343227948.db2.gz ZYRIKIBZFHKUCD-GFCCVEGCSA-N 1 0 220.316 1.189 50 0 BDAARO C[C@H]1CCC[C@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757649 343269885 /nfs/dbraw/zinc/26/98/85/343269885.db2.gz YBANFNLAJNEODD-JQWIXIFHSA-N 1 0 224.348 1.762 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@]1(C)CC[NH2+]C1 ZINC000034475618 343271892 /nfs/dbraw/zinc/27/18/92/343271892.db2.gz AXCFIJFQUMHJRG-NSHDSACASA-N 1 0 214.309 1.511 50 0 BDAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2cncc(O)c2)C1 ZINC000389839519 343281377 /nfs/dbraw/zinc/28/13/77/343281377.db2.gz RKAUDLIULYLUEL-LLVKDONJSA-N 1 0 249.314 1.001 50 0 BDAARO Nc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000034959101 343281819 /nfs/dbraw/zinc/28/18/19/343281819.db2.gz IGCOPDLUYIYJJR-UHFFFAOYSA-N 1 0 220.316 1.473 50 0 BDAARO O=C1CC2(CCCC2)C(=O)N1[C@H]1CCC[NH2+]C1 ZINC000035280501 343292377 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C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+][C@H]2CCOC2)C1 ZINC000305810354 537909609 /nfs/dbraw/zinc/90/96/09/537909609.db2.gz ISXRRZWMZDCOAD-DYEKYZERSA-N 1 0 241.375 1.942 50 0 BDAARO CC[N@H+]([C@@H]1CCNC1=O)[C@H]1C=CCCC1 ZINC000282255763 345915515 /nfs/dbraw/zinc/91/55/15/345915515.db2.gz GVHJMRZEPRAVKN-WDEREUQCSA-N 1 0 208.305 1.306 50 0 BDAARO c1ccc2c(c1)COC1(CC[NH2+]CC1)N2 ZINC000005590055 346267043 /nfs/dbraw/zinc/26/70/43/346267043.db2.gz NLNVXQILTOFITI-UHFFFAOYSA-N 1 0 204.273 1.708 50 0 BDAARO Cc1cccc(C2(O)CC[NH2+]CC2)c1C ZINC000041214057 179050194 /nfs/dbraw/zinc/05/01/94/179050194.db2.gz YHITYVGXWVVEJE-UHFFFAOYSA-N 1 0 205.301 1.874 50 0 BDAARO Cc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000019607274 179067509 /nfs/dbraw/zinc/06/75/09/179067509.db2.gz BQUFQFKLEMACDG-UHFFFAOYSA-N 1 0 206.333 1.988 50 0 BDAARO CCCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000002160127 346496204 /nfs/dbraw/zinc/49/62/04/346496204.db2.gz HCWWBSHYGXWMJX-UHFFFAOYSA-N 1 0 212.337 1.764 50 0 BDAARO Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000019410299 179126004 /nfs/dbraw/zinc/12/60/04/179126004.db2.gz UVARTTBYWMCHBJ-UHFFFAOYSA-N 1 0 218.300 1.933 50 0 BDAARO Cc1cccc(NC(=O)N2CCC([NH3+])CC2)c1 ZINC000015423813 179130663 /nfs/dbraw/zinc/13/06/63/179130663.db2.gz GLONQBODMCTFHL-UHFFFAOYSA-N 1 0 233.315 1.950 50 0 BDAARO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000019814002 179139106 /nfs/dbraw/zinc/13/91/06/179139106.db2.gz UQZKVMVFUAGCDX-SNVBAGLBSA-N 1 0 219.288 1.328 50 0 BDAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)o1 ZINC000027932347 347290594 /nfs/dbraw/zinc/29/05/94/347290594.db2.gz FKKXAKMDLHPVNK-GFCCVEGCSA-N 1 0 248.326 1.817 50 0 BDAARO Cc1cccc([C@H](C[NH3+])N2CCOCC2)c1 ZINC000019796004 179199029 /nfs/dbraw/zinc/19/90/29/179199029.db2.gz VTZFEALSICCHLT-ZDUSSCGKSA-N 1 0 220.316 1.327 50 0 BDAARO O=C(C[NH2+]CC1CC1)Nc1ccccc1 ZINC000020037554 347403211 /nfs/dbraw/zinc/40/32/11/347403211.db2.gz OULJHWPLEXMJMC-UHFFFAOYSA-N 1 0 204.273 1.625 50 0 BDAARO Cc1cccc2cc(C[NH2+]CCCO)c(=O)[nH]c12 ZINC000002597376 179226829 /nfs/dbraw/zinc/22/68/29/179226829.db2.gz RWJQWUKYGSZDRM-UHFFFAOYSA-N 1 0 246.310 1.309 50 0 BDAARO Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000094345291 179250590 /nfs/dbraw/zinc/25/05/90/179250590.db2.gz PWYNMVCKSQNNIZ-WCQYABFASA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000071412699 179258813 /nfs/dbraw/zinc/25/88/13/179258813.db2.gz WLDZWTJFPVHMHO-GXTWGEPZSA-N 1 0 246.354 1.652 50 0 BDAARO Cc1ccccc1CCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000051986178 179260827 /nfs/dbraw/zinc/26/08/27/179260827.db2.gz SQZIRGAZNJARNY-ZDUSSCGKSA-N 1 0 246.354 1.735 50 0 BDAARO Cc1ccccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105472249 179281659 /nfs/dbraw/zinc/28/16/59/179281659.db2.gz BSCJEZOZLWDVIZ-CQSZACIVSA-N 1 0 234.343 1.415 50 0 BDAARO Cc1ccccc1C[C@@]1(CO)CCC[NH2+]C1 ZINC000067884457 179289653 /nfs/dbraw/zinc/28/96/53/179289653.db2.gz BGVNRTWPHBOJSR-AWEZNQCLSA-N 1 0 219.328 1.900 50 0 BDAARO Cc1ccccc1NC(=O)[C@H]([NH3+])C(C)C ZINC000019434906 179302235 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/nfs/dbraw/zinc/00/69/76/538006976.db2.gz TWMMTTXAOVPTHB-UHFFFAOYSA-N 1 0 208.309 1.872 50 0 BDAARO C[C@H]1[N@H+](C)CCC[C@]1(O)c1ccccc1 ZINC000071773094 348756586 /nfs/dbraw/zinc/75/65/86/348756586.db2.gz UWCHAPASBQUAQW-DGCLKSJQSA-N 1 0 205.301 1.988 50 0 BDAARO COC(=O)[C@]1(N)CCc2cc(Cl)ccc2C1 ZINC000095635358 348832785 /nfs/dbraw/zinc/83/27/85/348832785.db2.gz PHDSFEWNJQAKFW-LBPRGKRZSA-N 1 0 239.702 1.699 50 0 BDAARO CC(C)C[C@@H](C)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000070618707 187422610 /nfs/dbraw/zinc/42/26/10/187422610.db2.gz FKRKATBGXZXWFJ-PWSUYJOCSA-N 1 0 212.337 1.679 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000039093825 187426148 /nfs/dbraw/zinc/42/61/48/187426148.db2.gz OBSACSBMTRJNPH-IUCAKERBSA-N 1 0 214.309 1.781 50 0 BDAARO Cc1nc2sccc2c(N2CC[C@H]([NH3+])C2)n1 ZINC000055281012 180003971 /nfs/dbraw/zinc/00/39/71/180003971.db2.gz FKQNIEBSJZDELG-QMMMGPOBSA-N 1 0 234.328 1.537 50 0 BDAARO C[C@H](C(N)=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007341703 350090455 /nfs/dbraw/zinc/09/04/55/350090455.db2.gz RCCUCRDEGASZIE-GFCCVEGCSA-N 1 0 246.354 1.815 50 0 BDAARO CCNC(=O)NC[C@](C)([NH3+])C(C)(C)C ZINC000725255222 538050573 /nfs/dbraw/zinc/05/05/73/538050573.db2.gz WQISMMBIURCAPM-JTQLQIEISA-N 1 0 201.314 1.069 50 0 BDAARO Cc1nccn1CCC[N@@H+](C)CC1(C)COC1 ZINC000336710062 180235321 /nfs/dbraw/zinc/23/53/21/180235321.db2.gz QIGCWILWULSDMN-UHFFFAOYSA-N 1 0 237.347 1.550 50 0 BDAARO Cc1nccn1CC[N@@H+](C)CCc1ccccn1 ZINC000252484908 180252207 /nfs/dbraw/zinc/25/22/07/180252207.db2.gz GKIQUZDAGCFUPO-UHFFFAOYSA-N 1 0 244.342 1.761 50 0 BDAARO C[C@H](Cc1ccccc1)[NH2+]CCN1CCOCC1 ZINC000033852250 350247445 /nfs/dbraw/zinc/24/74/45/350247445.db2.gz ISEKMORYCCULAL-CQSZACIVSA-N 1 0 248.370 1.539 50 0 in-man BDAARO Cc1cc(C(=O)NCCC[NH+]2CCCC2)on1 ZINC000040480777 350368418 /nfs/dbraw/zinc/36/84/18/350368418.db2.gz DSEKGQYJRCBPQS-UHFFFAOYSA-N 1 0 237.303 1.199 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000040456529 350365701 /nfs/dbraw/zinc/36/57/01/350365701.db2.gz YGQOSTJHICZNQM-HBNTYKKESA-N 1 0 210.321 1.515 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000092325586 180340889 /nfs/dbraw/zinc/34/08/89/180340889.db2.gz SPEVVSBGFRIGHV-LBPRGKRZSA-N 1 0 235.331 1.819 50 0 BDAARO Cc1nn(C)c2ncc(C[NH2+][C@H]3C[C@@H]3C)cc12 ZINC000105436925 180365263 /nfs/dbraw/zinc/36/52/63/180365263.db2.gz DHSVIWYUJZLACA-UFBFGSQYSA-N 1 0 230.315 1.775 50 0 BDAARO CCOc1ccc(N2C[C@@H]([NH3+])CC2=O)cc1 ZINC000015015135 350833190 /nfs/dbraw/zinc/83/31/90/350833190.db2.gz YWUXWKQZISWHCF-VIFPVBQESA-N 1 0 220.272 1.149 50 0 BDAARO C[NH+](C)CC(=O)N1CCCC[C@H]1C(F)F ZINC000334242917 352298084 /nfs/dbraw/zinc/29/80/84/352298084.db2.gz PCZLINWJSLHKMO-QMMMGPOBSA-N 1 0 220.263 1.194 50 0 BDAARO CCn1nc(C[NH2+][C@H]2CCOC2)c2ccccc21 ZINC000131429340 353149271 /nfs/dbraw/zinc/14/92/71/353149271.db2.gz JTSPVATYELRHQG-NSHDSACASA-N 1 0 245.326 1.935 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC2(C[NH2+]C2)C1 ZINC000306145425 188096992 /nfs/dbraw/zinc/09/69/92/188096992.db2.gz FAWHTXUMVSKNOY-VIFPVBQESA-N 1 0 226.320 1.653 50 0 BDAARO C[NH+](C)CCOC(=O)c1cccc(F)c1 ZINC000000552097 188099664 /nfs/dbraw/zinc/09/96/64/188099664.db2.gz RCOLYESKYUTWTG-UHFFFAOYSA-N 1 0 211.236 1.544 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH3+] ZINC000004202452 188101538 /nfs/dbraw/zinc/10/15/38/188101538.db2.gz PTVRCUVHYMGECC-VIFPVBQESA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000003880902 188102226 /nfs/dbraw/zinc/10/22/26/188102226.db2.gz AKQXKEBCONUWCL-MRVPVSSYSA-N 1 0 200.282 1.345 50 0 BDAARO CC(C)Cc1[nH+]c2cc(N)ccc2n1CCO ZINC000006678472 188103427 /nfs/dbraw/zinc/10/34/27/188103427.db2.gz JJPOJLSETPPGIB-UHFFFAOYSA-N 1 0 233.315 1.809 50 0 BDAARO O=S1(=O)CC[C@@H]([NH+]2CCCCCC2)C1 ZINC000004159072 353179049 /nfs/dbraw/zinc/17/90/49/353179049.db2.gz QEYOUGUMHAVMSV-SNVBAGLBSA-N 1 0 217.334 1.050 50 0 BDAARO CC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042775798 188120967 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/nfs/dbraw/zinc/12/97/50/188129750.db2.gz BFBCQCUOXDUPEK-UHFFFAOYSA-N 1 0 225.361 1.669 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000071373413 188130599 /nfs/dbraw/zinc/13/05/99/188130599.db2.gz JNZMRBKTBFPQJA-UWVGGRQHSA-N 1 0 226.320 1.748 50 0 BDAARO Cc1nc([C@]2(C)CCC[NH2+]C2)cc(=O)[nH]1 ZINC000072344477 188132232 /nfs/dbraw/zinc/13/22/32/188132232.db2.gz VZQHESAZOLVKKP-LLVKDONJSA-N 1 0 207.277 1.132 50 0 BDAARO FC(F)(F)c1cc([C@H]2CCC[NH2+]2)[nH]n1 ZINC000019686278 180892411 /nfs/dbraw/zinc/89/24/11/180892411.db2.gz HYUDUPKYCBZLTI-RXMQYKEDSA-N 1 0 205.183 1.853 50 0 BDAARO CC(C)(CNC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000170621957 188161402 /nfs/dbraw/zinc/16/14/02/188161402.db2.gz SVSAFHXBZCEOLW-UHFFFAOYSA-N 1 0 247.342 1.492 50 0 BDAARO CC(C)([NH3+])CNS(=O)(=O)CC1CCCCC1 ZINC000168386375 188161780 /nfs/dbraw/zinc/16/17/80/188161780.db2.gz UYUSCBGNSDNAEZ-UHFFFAOYSA-N 1 0 248.392 1.223 50 0 BDAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000179499832 188167293 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FUUJEQPRDWEWAB-NSHDSACASA-N 1 0 239.363 1.665 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc21 ZINC000070393851 181430786 /nfs/dbraw/zinc/43/07/86/181430786.db2.gz ORRFIMOCGYGGJR-JQWIXIFHSA-N 1 0 246.310 1.112 50 0 BDAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cscn1 ZINC000084212494 181432136 /nfs/dbraw/zinc/43/21/36/181432136.db2.gz YUBAHAUFVLCCKB-YUMQZZPRSA-N 1 0 225.317 1.000 50 0 BDAARO C([NH2+][C@@H]1CCCOC1)c1[nH]nc2c1CCCCC2 ZINC000584887099 369034588 /nfs/dbraw/zinc/03/45/88/369034588.db2.gz XYFIZLVBFSGMFG-LLVKDONJSA-N 1 0 249.358 1.947 50 0 BDAARO CC(=O)N1CCC[C@@H](Nc2cc(C)[nH+]c(C)c2)C1 ZINC000584887866 369036057 /nfs/dbraw/zinc/03/60/57/369036057.db2.gz NTMNNNURCZRPIS-CYBMUJFWSA-N 1 0 247.342 1.543 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)c2cccnc2)c1 ZINC000012879567 181489276 /nfs/dbraw/zinc/48/92/76/181489276.db2.gz VDVWTXYIYATUAS-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO COc1cc(N2CC[C@H]([NH3+])[C@@H](F)C2)ccc1N ZINC000114003460 370539015 /nfs/dbraw/zinc/53/90/15/370539015.db2.gz CVDXHDWVHRKADF-UWVGGRQHSA-N 1 0 239.294 1.153 50 0 BDAARO O=C1N(C2CCCC2)CCC[C@]12CC[NH2+]C2 ZINC000261361071 371058710 /nfs/dbraw/zinc/05/87/10/371058710.db2.gz CPTDDUWWBBIGKE-CYBMUJFWSA-N 1 0 222.332 1.531 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000079065556 371179227 /nfs/dbraw/zinc/17/92/27/371179227.db2.gz FQVWMFCOERMUCB-NSHDSACASA-N 1 0 235.331 1.843 50 0 BDAARO C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCO1 ZINC000020208198 371243329 /nfs/dbraw/zinc/24/33/29/371243329.db2.gz USQUVBMWKWWGMU-KOLCDFICSA-N 1 0 209.293 1.077 50 0 BDAARO Nc1nc([C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)n1 ZINC000072343660 181789649 /nfs/dbraw/zinc/78/96/49/181789649.db2.gz BWTXWVARTCQYJP-ZCFIWIBFSA-N 1 0 246.236 1.545 50 0 BDAARO CCOc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000003257527 371931981 /nfs/dbraw/zinc/93/19/81/371931981.db2.gz JOFDFWQCCLGALR-UHFFFAOYSA-N 1 0 234.299 1.776 50 0 BDAARO O=C(C[NH2+]C1CC1)NCCc1ccc(F)cc1 ZINC000003310786 371951283 /nfs/dbraw/zinc/95/12/83/371951283.db2.gz LNKNHYPFEGSKLF-UHFFFAOYSA-N 1 0 236.290 1.236 50 0 BDAARO O=C(CSC1=[NH+]CCN1)c1ccccc1 ZINC000001661216 182007426 /nfs/dbraw/zinc/00/74/26/182007426.db2.gz QRDCPJGNSRARCL-UHFFFAOYSA-N 1 0 220.297 1.562 50 0 in-vitro BDAARO O=C(CSC1=[NH+]CCN1)c1cccs1 ZINC000006863499 182008212 /nfs/dbraw/zinc/00/82/12/182008212.db2.gz BNALKZVFAOXIEH-UHFFFAOYSA-N 1 0 226.326 1.623 50 0 BDAARO O=C(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000019088729 182044109 /nfs/dbraw/zinc/04/41/09/182044109.db2.gz GVMHERHUVPIZHD-GFCCVEGCSA-N 1 0 203.285 1.798 50 0 BDAARO O=C(Cc1ccccc1)OCC1CC[NH2+]CC1 ZINC000042768746 182044122 /nfs/dbraw/zinc/04/41/22/182044122.db2.gz QQNUWMOSOLNJPI-UHFFFAOYSA-N 1 0 233.311 1.772 50 0 BDAARO CC[N@@H+](Cc1cccnc1)C[C@@H]1CCOC1 ZINC000069452719 373280802 /nfs/dbraw/zinc/28/08/02/373280802.db2.gz RCAUVPAJOXENLE-ZDUSSCGKSA-N 1 0 220.316 1.940 50 0 BDAARO O=C(NC1CCCC1)C12CCC[NH+]1CCC2 ZINC000253630103 182107800 /nfs/dbraw/zinc/10/78/00/182107800.db2.gz DXUPUPUZQORTMJ-UHFFFAOYSA-N 1 0 222.332 1.674 50 0 BDAARO CCN1CCC[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000040502719 373359753 /nfs/dbraw/zinc/35/97/53/373359753.db2.gz XERDKYKXOQOEOQ-LBPRGKRZSA-N 1 0 222.336 1.292 50 0 BDAARO O=C(NC1CCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000034754818 182110122 /nfs/dbraw/zinc/11/01/22/182110122.db2.gz ASVRWOTWVIQPRO-AWEZNQCLSA-N 1 0 244.338 1.760 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1ccsc1 ZINC000037116559 182115471 /nfs/dbraw/zinc/11/54/71/182115471.db2.gz RNNPBUPPSKDVGD-UHFFFAOYSA-N 1 0 210.302 1.230 50 0 BDAARO O=C(NCC1CCCCC1)[C@H]1CCC[NH2+]1 ZINC000037250742 182146338 /nfs/dbraw/zinc/14/63/38/182146338.db2.gz LLYXKTBOYKNPTF-LLVKDONJSA-N 1 0 210.321 1.435 50 0 BDAARO O=C(NCC[C@H]1CCCC[NH2+]1)C1CCCC1 ZINC000019513781 182200022 /nfs/dbraw/zinc/20/00/22/182200022.db2.gz BTCZEOJYGRSGJO-GFCCVEGCSA-N 1 0 224.348 1.825 50 0 BDAARO O=C(NC[C@@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000019386469 182222768 /nfs/dbraw/zinc/22/27/68/182222768.db2.gz MGMBCHOUXNLNOD-NSHDSACASA-N 1 0 234.299 1.264 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000040434229 182329730 /nfs/dbraw/zinc/32/97/30/182329730.db2.gz BVWAQLVGMUMDIZ-VIFPVBQESA-N 1 0 210.302 1.230 50 0 BDAARO Cc1ncc(CO)c(C[NH2+]C2CCCC2)c1O ZINC000167477535 206146362 /nfs/dbraw/zinc/14/63/62/206146362.db2.gz CKKRRIRPWUHQKT-UHFFFAOYSA-N 1 0 236.315 1.620 50 0 BDAARO OC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000032919512 183023460 /nfs/dbraw/zinc/02/34/60/183023460.db2.gz PDJGUVHLVCOIFF-UHFFFAOYSA-N 1 0 211.692 1.911 50 0 BDAARO OCCC[NH2+]Cc1cccn1-c1ccccc1 ZINC000002075306 183058252 /nfs/dbraw/zinc/05/82/52/183058252.db2.gz AZNVBSYYLBGZME-UHFFFAOYSA-N 1 0 230.311 1.949 50 0 BDAARO OCCN1CC[NH+](C2CCCCCC2)CC1 ZINC000022045027 183074814 /nfs/dbraw/zinc/07/48/14/183074814.db2.gz BYBBQPBDINADFP-UHFFFAOYSA-N 1 0 226.364 1.319 50 0 BDAARO OCC[NH2+]CCCCCOc1ccccc1 ZINC000023634177 183076018 /nfs/dbraw/zinc/07/60/18/183076018.db2.gz CUFYQDGYNIYKCS-UHFFFAOYSA-N 1 0 223.316 1.818 50 0 BDAARO OCC[C@H]1C[NH2+]CCN1CCCc1ccccc1 ZINC000066323400 183099203 /nfs/dbraw/zinc/09/92/03/183099203.db2.gz BFYOKHQZIUOVLS-HNNXBMFYSA-N 1 0 248.370 1.275 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000011727403 183121003 /nfs/dbraw/zinc/12/10/03/183121003.db2.gz HYUQEQNTEQNOHP-NSHDSACASA-N 1 0 235.283 1.372 50 0 BDAARO OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCOC1 ZINC000070464927 183106342 /nfs/dbraw/zinc/10/63/42/183106342.db2.gz SQQOZGWYUZBXOB-ZIAGYGMSSA-N 1 0 235.327 1.359 50 0 BDAARO OC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000011892609 183123270 /nfs/dbraw/zinc/12/32/70/183123270.db2.gz GULYBIGMHOEZOG-CYBMUJFWSA-N 1 0 205.301 1.543 50 0 BDAARO OC[C@@H]1CC[C@@H](CO)[NH+]1Cc1ccccc1 ZINC000038254220 183124857 /nfs/dbraw/zinc/12/48/57/183124857.db2.gz KDHJNPHFSBLEMM-STQMWFEESA-N 1 0 221.300 1.004 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000000182787 183149616 /nfs/dbraw/zinc/14/96/16/183149616.db2.gz COTCEDSHEHERBD-GFCCVEGCSA-N 1 0 209.264 1.782 50 0 BDAARO OC[C@]1(CCOc2ccccc2)CCC[NH2+]C1 ZINC000067641149 183157770 /nfs/dbraw/zinc/15/77/70/183157770.db2.gz FLUPXEMPPGYFTB-AWEZNQCLSA-N 1 0 235.327 1.818 50 0 BDAARO OC[C@]1(Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC000067946817 183157942 /nfs/dbraw/zinc/15/79/42/183157942.db2.gz HWKMJZATYFTOHH-ZDUSSCGKSA-N 1 0 223.291 1.730 50 0 BDAARO O[C@@H](C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000078210666 183183862 /nfs/dbraw/zinc/18/38/62/183183862.db2.gz OTPGHSWEBWKQDP-RYUDHWBXSA-N 1 0 207.273 1.099 50 0 BDAARO O[C@H]1CCC[NH2+][C@H]1CCc1ccccc1 ZINC000075130781 183235347 /nfs/dbraw/zinc/23/53/47/183235347.db2.gz MEMLNRRWCTXOSH-STQMWFEESA-N 1 0 205.301 1.732 50 0 BDAARO CCC[NH+]1CCC(NC(=O)C=C(C)C)CC1 ZINC000058323365 169188773 /nfs/dbraw/zinc/18/87/73/169188773.db2.gz YGKUPBQDYNBISM-UHFFFAOYSA-N 1 0 224.348 1.943 50 0 BDAARO c1cc(-c2csc(CN3CC[NH2+]CC3)c2)n[nH]1 ZINC000020449846 183329273 /nfs/dbraw/zinc/32/92/73/183329273.db2.gz STZBRSAKSHIPGW-UHFFFAOYSA-N 1 0 248.355 1.543 50 0 BDAARO CCCN(Cc1cccnc1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000055052546 169179527 /nfs/dbraw/zinc/17/95/27/169179527.db2.gz VUUTWURZQBBSDX-CYBMUJFWSA-N 1 0 247.342 1.430 50 0 BDAARO c1cc(-c2cccc(CN3CC[NH2+]CC3)c2)n[nH]1 ZINC000032565238 183344298 /nfs/dbraw/zinc/34/42/98/183344298.db2.gz DBDYASKITYXUJW-UHFFFAOYSA-N 1 0 242.326 1.482 50 0 BDAARO CCCNC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000044898329 169219251 /nfs/dbraw/zinc/21/92/51/169219251.db2.gz LFPKNBZBLHZNCO-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO CCC[NH2+]CC(=O)Nc1ccccc1OC ZINC000003327353 169256264 /nfs/dbraw/zinc/25/62/64/169256264.db2.gz ACGMWAJZFOEBTQ-UHFFFAOYSA-N 1 0 222.288 1.633 50 0 BDAARO c1cnn(-c2ccccc2C[NH2+][C@@H]2CCOC2)c1 ZINC000109431287 183386027 /nfs/dbraw/zinc/38/60/27/183386027.db2.gz SJUXGDRFFDBGRT-CYBMUJFWSA-N 1 0 243.310 1.751 50 0 BDAARO c1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1 ZINC000042013492 183382348 /nfs/dbraw/zinc/38/23/48/183382348.db2.gz RRCZVRXKLGLIQD-UHFFFAOYSA-N 1 0 228.299 1.939 50 0 BDAARO c1ccc(-c2nc(C[C@@H]3CC[NH2+]C3)no2)cc1 ZINC000083326237 183382380 /nfs/dbraw/zinc/38/23/80/183382380.db2.gz IPOHNSGSRGLYMC-JTQLQIEISA-N 1 0 229.283 1.889 50 0 BDAARO CCCNC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052635503 169246881 /nfs/dbraw/zinc/24/68/81/169246881.db2.gz FEFAUEDXNZKKOQ-TUAOUCFPSA-N 1 0 226.364 1.879 50 0 BDAARO c1ccc(-c2nc([C@@H]3C[NH2+]CCO3)no2)cc1 ZINC000095829637 183383433 /nfs/dbraw/zinc/38/34/33/183383433.db2.gz RDHYTNNISFECNB-JTQLQIEISA-N 1 0 231.255 1.398 50 0 BDAARO c1cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)ncn1 ZINC000072381920 183360523 /nfs/dbraw/zinc/36/05/23/183360523.db2.gz ZMCKJBOBSKAYEN-GFCCVEGCSA-N 1 0 247.342 1.835 50 0 BDAARO c1ccc(C2(N3CC[NH2+]CC3)CC2)cc1 ZINC000051943579 183388845 /nfs/dbraw/zinc/38/88/45/183388845.db2.gz WIFPWYFVWPLROU-UHFFFAOYSA-N 1 0 202.301 1.581 50 0 BDAARO c1ncn(C[C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000069621046 183399646 /nfs/dbraw/zinc/39/96/46/183399646.db2.gz NERWBFUPQAYQQH-ZDUSSCGKSA-N 1 0 243.314 1.338 50 0 BDAARO c1ccc2[nH]c(N3CCC[NH2+]CC3)nc2c1 ZINC000037756925 183435105 /nfs/dbraw/zinc/43/51/05/183435105.db2.gz SSPVIXHPLKDPNO-UHFFFAOYSA-N 1 0 216.288 1.363 50 0 BDAARO c1ccc2c(c1)CCN2[C@H]1CCC[NH2+]C1 ZINC000037246796 183443462 /nfs/dbraw/zinc/44/34/62/183443462.db2.gz AWKUYUQUENNUOA-LBPRGKRZSA-N 1 0 202.301 1.801 50 0 BDAARO CCOCC[NH2+]Cc1ccccc1OC ZINC000035098249 383827187 /nfs/dbraw/zinc/82/71/87/383827187.db2.gz FQKNICLGCMRJDF-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO FC(F)(F)c1ccnc(N2CCC[NH2+]CC2)n1 ZINC000000066276 383821254 /nfs/dbraw/zinc/82/12/54/383821254.db2.gz XVAZHAVSZFQOOQ-UHFFFAOYSA-N 1 0 246.236 1.295 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H]1CF ZINC000066351312 383862022 /nfs/dbraw/zinc/86/20/22/383862022.db2.gz QJBVSYYFYCEZGQ-SFYZADRCSA-N 1 0 218.272 1.293 50 0 BDAARO CN(Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000036883919 383917608 /nfs/dbraw/zinc/91/76/08/383917608.db2.gz WUZZCDOBFVDZCJ-ZDUSSCGKSA-N 1 0 204.317 1.856 50 0 BDAARO CN(CCc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545924 383917998 /nfs/dbraw/zinc/91/79/98/383917998.db2.gz LOKZOPRYOQTDRM-UONOGXRCSA-N 1 0 246.354 1.815 50 0 BDAARO CCc1ccc([C@@H]([NH3+])CC(=O)OC)cc1 ZINC000001304708 383894203 /nfs/dbraw/zinc/89/42/03/383894203.db2.gz AYPDUDDQDAFJQH-NSHDSACASA-N 1 0 207.273 1.812 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000050228609 383982542 /nfs/dbraw/zinc/98/25/42/383982542.db2.gz RZFSCNUSBRWNDE-MRVPVSSYSA-N 1 0 224.691 1.513 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000037507214 383983724 /nfs/dbraw/zinc/98/37/24/383983724.db2.gz XGMLBICNMQKJQY-NSHDSACASA-N 1 0 224.279 1.521 50 0 BDAARO c1csc([C@@H]2C[C@H]2CN2CC[NH2+]CC2)c1 ZINC000068592039 384002501 /nfs/dbraw/zinc/00/25/01/384002501.db2.gz SHGZQVYPGSDCLG-WDEREUQCSA-N 1 0 222.357 1.757 50 0 BDAARO C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH3+] ZINC000068593344 384002881 /nfs/dbraw/zinc/00/28/81/384002881.db2.gz PFHYJLHCIFWOCF-RKDXNWHRSA-N 1 0 244.335 1.706 50 0 BDAARO Cc1noc(C)c1C[NH2+][C@@H](C)Cn1cncn1 ZINC000067723546 383938848 /nfs/dbraw/zinc/93/88/48/383938848.db2.gz GSBFSLGIMZFVNH-QMMMGPOBSA-N 1 0 235.291 1.061 50 0 BDAARO COc1ccc(C[C@H](C)[NH3+])c(OC)c1OC ZINC000002015688 383944473 /nfs/dbraw/zinc/94/44/73/383944473.db2.gz LWDQPPLPHGXYLG-QMMMGPOBSA-N 1 0 225.288 1.602 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000002038544 383947108 /nfs/dbraw/zinc/94/71/08/383947108.db2.gz KAFHLYIMFOUYGL-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO Cc1nc(C2([NH3+])CCCC2)[nH]c(=O)c1C ZINC000068576910 384000500 /nfs/dbraw/zinc/00/05/00/384000500.db2.gz STSYABGVSIDNJW-UHFFFAOYSA-N 1 0 207.277 1.115 50 0 BDAARO COC(=O)c1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000002379550 383959886 /nfs/dbraw/zinc/95/98/86/383959886.db2.gz VHVKZYNFOTZHLG-UHFFFAOYSA-N 1 0 218.256 1.456 50 0 BDAARO c1ccc(C[NH2+]CCCN2CCOCC2)cc1 ZINC000002565486 383976152 /nfs/dbraw/zinc/97/61/52/383976152.db2.gz KMFYUJZFLWMNJB-UHFFFAOYSA-N 1 0 234.343 1.499 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000255082275 384003805 /nfs/dbraw/zinc/00/38/05/384003805.db2.gz MZSHBFAGURPGSH-WBTMPAOCSA-N 1 0 244.338 1.958 50 0 BDAARO [NH3+]CCc1nncn1-c1ccc(Cl)cc1 ZINC000067725986 384014948 /nfs/dbraw/zinc/01/49/48/384014948.db2.gz VFCSTGUVEYRUOK-UHFFFAOYSA-N 1 0 222.679 1.422 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]C1 ZINC000004202830 384045176 /nfs/dbraw/zinc/04/51/76/384045176.db2.gz WUOQXNWMYLFAHT-QMMMGPOBSA-N 1 0 200.282 1.263 50 0 in-vitro BDAARO Cc1c[nH+]c(C)n1CCNC(=O)c1ccsc1 ZINC000257187648 384069715 /nfs/dbraw/zinc/06/97/15/384069715.db2.gz BYHUOAIZLJHODB-UHFFFAOYSA-N 1 0 249.339 1.991 50 0 BDAARO C[C@]([NH3+])(CO)c1cccc(Br)c1 ZINC000038124533 384072524 /nfs/dbraw/zinc/07/25/24/384072524.db2.gz YZTHTUJFBRUOSD-VIFPVBQESA-N 1 0 230.105 1.615 50 0 BDAARO C[C@@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000039084847 384101346 /nfs/dbraw/zinc/10/13/46/384101346.db2.gz RDMVVTNPIKHJHP-SFYZADRCSA-N 1 0 200.282 1.343 50 0 BDAARO CNc1cc(C)[nH+]c(N2C[C@@H](C)[C@@](C)(O)C2)n1 ZINC000091650767 384136052 /nfs/dbraw/zinc/13/60/52/384136052.db2.gz UWOAQTRFJSVHDK-PELKAZGASA-N 1 0 236.319 1.034 50 0 BDAARO CC(C)(C)OC(=O)NC1CC2(C1)CC[NH2+]C2 ZINC000091362242 384120774 /nfs/dbraw/zinc/12/07/74/384120774.db2.gz RBGFMICDKNOJBB-UHFFFAOYSA-N 1 0 226.320 1.653 50 0 BDAARO Cc1cnc(C(C)(C)NC(=O)C[NH+](C)C)s1 ZINC000135166732 384147822 /nfs/dbraw/zinc/14/78/22/384147822.db2.gz HPMBSYAPXNPNEL-UHFFFAOYSA-N 1 0 241.360 1.364 50 0 BDAARO CC(C)[C@H]1CN(CCc2ccccn2)C[C@@H]1[NH3+] ZINC000091932248 384154316 /nfs/dbraw/zinc/15/43/16/384154316.db2.gz QJRMUOMIUNJUMB-KGLIPLIRSA-N 1 0 233.359 1.539 50 0 BDAARO FC1(F)CCN(C2CC[NH2+]CC2)CC1 ZINC000071257249 384157224 /nfs/dbraw/zinc/15/72/24/384157224.db2.gz SJPKYEQXKLCJBT-UHFFFAOYSA-N 1 0 204.264 1.470 50 0 BDAARO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C[NH3+] ZINC000237355022 384157642 /nfs/dbraw/zinc/15/76/42/384157642.db2.gz AOLYASDGYQUFIV-KOLCDFICSA-N 1 0 236.290 1.489 50 0 BDAARO CSC[C@H]1CCC[N@@H+]1Cc1cccc(N)n1 ZINC000225678621 384167754 /nfs/dbraw/zinc/16/77/54/384167754.db2.gz RXRNPNMMLSLVNI-LLVKDONJSA-N 1 0 237.372 1.991 50 0 BDAARO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(N)n1 ZINC000225678576 384167889 /nfs/dbraw/zinc/16/78/89/384167889.db2.gz RXRNPNMMLSLVNI-NSHDSACASA-N 1 0 237.372 1.991 50 0 BDAARO CC(C)([NH3+])C(=O)Nc1cnc2ccccc2c1 ZINC000040921709 384171455 /nfs/dbraw/zinc/17/14/55/384171455.db2.gz JHJVGNMIHVZKQV-UHFFFAOYSA-N 1 0 229.283 1.911 50 0 BDAARO O=C1NCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000050393948 384202185 /nfs/dbraw/zinc/20/21/85/384202185.db2.gz QPWMRQQWQBXGMB-NSHDSACASA-N 1 0 210.321 1.577 50 0 BDAARO [NH3+]CCSCc1nc2ccccc2c(=O)[nH]1 ZINC000007951897 384188719 /nfs/dbraw/zinc/18/87/19/384188719.db2.gz NZMUOUFRBXYECV-UHFFFAOYSA-N 1 0 235.312 1.115 50 0 BDAARO C[C@H](C(=O)N(C)C)[NH+]1CCC(CF)CC1 ZINC000336273983 384196668 /nfs/dbraw/zinc/19/66/68/384196668.db2.gz BDVSYFAEPIRMNC-SECBINFHSA-N 1 0 216.300 1.145 50 0 BDAARO O=S1(=O)CC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000408512823 384260265 /nfs/dbraw/zinc/26/02/65/384260265.db2.gz IZWVSGGADVSBJF-LLVKDONJSA-N 1 0 231.361 1.440 50 0 BDAARO C[NH+](C)CCNC(=O)c1cccc(Cl)c1 ZINC000000213479 384268225 /nfs/dbraw/zinc/26/82/25/384268225.db2.gz RNTFUZWNRGYRRC-UHFFFAOYSA-N 1 0 226.707 1.631 50 0 BDAARO OCCOCC[NH2+]Cc1ccccc1Cl ZINC000010436197 384273462 /nfs/dbraw/zinc/27/34/62/384273462.db2.gz HHQYDPYIKOFOPS-UHFFFAOYSA-N 1 0 229.707 1.439 50 0 BDAARO C[C@@H](CSC(C)(C)C)[NH2+][C@H]1CCCNC1=O ZINC000097016692 384285958 /nfs/dbraw/zinc/28/59/58/384285958.db2.gz GCPNTOCWYVBWCI-UWVGGRQHSA-N 1 0 244.404 1.775 50 0 BDAARO [NH3+]C[C@H]1CN(c2ccc(Cl)cc2)C(=O)O1 ZINC000011920034 384301875 /nfs/dbraw/zinc/30/18/75/384301875.db2.gz WNLPULPTZQFRBG-VIFPVBQESA-N 1 0 226.663 1.624 50 0 BDAARO CC[C@@H](CNC(=O)c1cnccn1)[NH+]1CCCC1 ZINC000032653701 384340228 /nfs/dbraw/zinc/34/02/28/384340228.db2.gz MZKLHWUJEMGEBM-NSHDSACASA-N 1 0 248.330 1.081 50 0 BDAARO Cc1cc(C)cc(C(=O)N2CC[NH2+]CC2)c1 ZINC000012955439 384343187 /nfs/dbraw/zinc/34/31/87/384343187.db2.gz BXUYOVDONWPZGB-UHFFFAOYSA-N 1 0 218.300 1.349 50 0 BDAARO Cc1ccncc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237758693 384373827 /nfs/dbraw/zinc/37/38/27/384373827.db2.gz HBDZOHBOEITFIR-LLVKDONJSA-N 1 0 249.314 1.097 50 0 BDAARO Cc1cc2ccccc2c(NC[C@H](O)CO)[nH+]1 ZINC000097103095 384356141 /nfs/dbraw/zinc/35/61/41/384356141.db2.gz NQWGICSNKUETFS-NSHDSACASA-N 1 0 232.283 1.308 50 0 BDAARO CC(C)(C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210796 384365981 /nfs/dbraw/zinc/36/59/81/384365981.db2.gz SZCCPCJTQUARGS-LLVKDONJSA-N 1 0 220.316 1.471 50 0 BDAARO CCC(=O)N[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000157308507 384324105 /nfs/dbraw/zinc/32/41/05/384324105.db2.gz RFQGEHGSYFEIGQ-LBPRGKRZSA-N 1 0 247.342 1.885 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]1)OCc1ccccc1 ZINC000012649190 384329727 /nfs/dbraw/zinc/32/97/27/384329727.db2.gz UHPHWVPAQZJMDO-LBPRGKRZSA-N 1 0 234.299 1.665 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC12CC([NH3+])C2 ZINC000095743446 384392080 /nfs/dbraw/zinc/39/20/80/384392080.db2.gz HKJVUMPWNMAHSI-UHFFFAOYSA-N 1 0 226.320 1.877 50 0 BDAARO c1cn2c(n1)[C@H](C[NH2+]Cc1cccnc1)CCC2 ZINC000084425079 384396827 /nfs/dbraw/zinc/39/68/27/384396827.db2.gz JZLVJODYCIFPJQ-ZDUSSCGKSA-N 1 0 242.326 1.945 50 0 BDAARO c1ccc2oc(N3CCC[NH2+]CC3)nc2c1 ZINC000014808517 384407652 /nfs/dbraw/zinc/40/76/52/384407652.db2.gz FFOBGQKLYQWHRP-UHFFFAOYSA-N 1 0 217.272 1.628 50 0 BDAARO COC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000056908415 384417737 /nfs/dbraw/zinc/41/77/37/384417737.db2.gz DQOQVKABDMEMEY-CYBMUJFWSA-N 1 0 220.316 1.940 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@](F)(C[NH3+])C1 ZINC000095630133 384385639 /nfs/dbraw/zinc/38/56/39/384385639.db2.gz AIGHVUMGNOAZIB-JTQLQIEISA-N 1 0 218.272 1.294 50 0 BDAARO COC(=O)c1cc(F)cc(N2CC[NH2+]CC2)c1 ZINC000096330656 384452170 /nfs/dbraw/zinc/45/21/70/384452170.db2.gz BYHSTOUNBQCJMU-UHFFFAOYSA-N 1 0 238.262 1.022 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000061416336 384428963 /nfs/dbraw/zinc/42/89/63/384428963.db2.gz AVOMYOZGTLVSOA-LBPRGKRZSA-N 1 0 241.294 1.408 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000237921053 384435257 /nfs/dbraw/zinc/43/52/57/384435257.db2.gz MNCQTIITVDGPOL-UPJWGTAASA-N 1 0 248.301 1.489 50 0 BDAARO C[NH+](C)CCNC(=O)c1c(F)cccc1F ZINC000016580242 384463326 /nfs/dbraw/zinc/46/33/26/384463326.db2.gz CDLGDENQXKROMZ-UHFFFAOYSA-N 1 0 228.242 1.256 50 0 BDAARO Cn1ccnc1-c1c[nH]nc1C1CC[NH2+]CC1 ZINC000096663743 384470858 /nfs/dbraw/zinc/47/08/58/384470858.db2.gz FFFRLWGUXPJTSN-UHFFFAOYSA-N 1 0 231.303 1.277 50 0 BDAARO COCc1cccc(CNC(=O)C[NH+](C)C)c1 ZINC000096998767 384487551 /nfs/dbraw/zinc/48/75/51/384487551.db2.gz VGIOZRPSCZVBTC-UHFFFAOYSA-N 1 0 236.315 1.011 50 0 BDAARO c1ccc(Cc2noc(C3C[NH2+]C3)n2)cc1 ZINC000048981054 384516314 /nfs/dbraw/zinc/51/63/14/384516314.db2.gz BZZLDQJGVRTDGB-UHFFFAOYSA-N 1 0 215.256 1.347 50 0 BDAARO Cc1ncc(C[N@@H+](C)[C@@H](C)Cc2cnccn2)[nH]1 ZINC000097522545 384527839 /nfs/dbraw/zinc/52/78/39/384527839.db2.gz KVGVCBCYLZXBEV-JTQLQIEISA-N 1 0 245.330 1.571 50 0 BDAARO Cc1nc(-c2cncnc2[C@H]2CCC[NH2+]C2)no1 ZINC000019695374 384531786 /nfs/dbraw/zinc/53/17/86/384531786.db2.gz KWBUKJPAJVYZRR-VIFPVBQESA-N 1 0 245.286 1.302 50 0 BDAARO C[C@H]([NH2+]Cc1nnc2ccccn21)C1CC1 ZINC000020185469 384590371 /nfs/dbraw/zinc/59/03/71/384590371.db2.gz DWMFRASCRHQLSU-VIFPVBQESA-N 1 0 216.288 1.617 50 0 BDAARO c1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020126974 384582714 /nfs/dbraw/zinc/58/27/14/384582714.db2.gz OTNSRGGZKMDZHU-UHFFFAOYSA-N 1 0 204.317 1.872 50 0 BDAARO [NH3+]CCc1nc(-c2ccc(F)cc2)no1 ZINC000020268674 384607218 /nfs/dbraw/zinc/60/72/18/384607218.db2.gz VFYRZAINCWZWJC-UHFFFAOYSA-N 1 0 207.208 1.377 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000100013529 384608716 /nfs/dbraw/zinc/60/87/16/384608716.db2.gz UUHPKKKRSZBQIG-ILWJIGKKSA-N 1 0 226.320 1.794 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000050228602 384608723 /nfs/dbraw/zinc/60/87/23/384608723.db2.gz ODUZRYBMECHNAS-LBPRGKRZSA-N 1 0 218.300 1.179 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000020282522 384610766 /nfs/dbraw/zinc/61/07/66/384610766.db2.gz MJJZKJAKJMAJNM-UHFFFAOYSA-N 1 0 204.273 1.884 50 0 BDAARO CC[NH+](CC)CCN1CCOC[C@@H]1C1CC1 ZINC000097050879 384622023 /nfs/dbraw/zinc/62/20/23/384622023.db2.gz NMYUUNUNSRXISN-CYBMUJFWSA-N 1 0 226.364 1.439 50 0 BDAARO CC[C@H]([NH3+])Cn1c2ccccc2oc1=O ZINC000050180368 384600380 /nfs/dbraw/zinc/60/03/80/384600380.db2.gz KUYKXSZTGRADJQ-QMMMGPOBSA-N 1 0 206.245 1.332 50 0 BDAARO Cc1ccnc(SC[C@@H]2CCC[NH2+]C2)n1 ZINC000051332215 384664361 /nfs/dbraw/zinc/66/43/61/384664361.db2.gz ONIKRRZVOHOCIE-SNVBAGLBSA-N 1 0 223.345 1.877 50 0 BDAARO CC1(C)C(c2ccccn2)[N+](=O)C(C)(C)N1O ZINC000100463087 384641746 /nfs/dbraw/zinc/64/17/46/384641746.db2.gz AGVUVVOUBVDNRG-UHFFFAOYSA-N 1 0 234.279 1.557 50 0 BDAARO CN(C)c1ccc(CN2CCCC[C@H]([NH3+])C2)cn1 ZINC000082170618 384649955 /nfs/dbraw/zinc/64/99/55/384649955.db2.gz DOBGZWMGKUVKNA-ZDUSSCGKSA-N 1 0 248.374 1.461 50 0 BDAARO C[C@H](O)C[NH+](C[C@H](C)O)C[C@@H]1CC=CCC1 ZINC000101563918 384679602 /nfs/dbraw/zinc/67/96/02/384679602.db2.gz OBFTVZRVSNHQDB-RWMBFGLXSA-N 1 0 227.348 1.406 50 0 BDAARO [NH3+]Cc1cccnc1OC[C@H]1CCCO1 ZINC000019266178 384682005 /nfs/dbraw/zinc/68/20/05/384682005.db2.gz IPVJWRKFBHNOGJ-SNVBAGLBSA-N 1 0 208.261 1.098 50 0 BDAARO [NH3+]CCOc1ncccc1C(F)(F)F ZINC000051870087 384697820 /nfs/dbraw/zinc/69/78/20/384697820.db2.gz SDYUFTUQWPWZFP-UHFFFAOYSA-N 1 0 206.167 1.438 50 0 BDAARO CCN(C[C@@H]1CC[NH2+]C1)CC(F)(F)F ZINC000051889860 384701384 /nfs/dbraw/zinc/70/13/84/384701384.db2.gz YXBLQSNCJULLNT-MRVPVSSYSA-N 1 0 210.243 1.480 50 0 BDAARO C[NH+](C)CCNCc1ccc(F)cc1F ZINC000021964693 384713882 /nfs/dbraw/zinc/71/38/82/384713882.db2.gz RIQMRARMHJUDDC-UHFFFAOYSA-N 1 0 214.259 1.616 50 0 BDAARO CC1(C(=O)NCc2ccccc2F)C[NH2+]C1 ZINC000335022660 384773879 /nfs/dbraw/zinc/77/38/79/384773879.db2.gz GIQPDGUYRBUUFN-UHFFFAOYSA-N 1 0 222.263 1.051 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000083050235 384737982 /nfs/dbraw/zinc/73/79/82/384737982.db2.gz NVINVTWMFWHTFK-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO [NH3+]C[C@H](c1ccsc1)N1CCOCC1 ZINC000022172313 384737985 /nfs/dbraw/zinc/73/79/85/384737985.db2.gz BAADONCRQFJDEU-SNVBAGLBSA-N 1 0 212.318 1.080 50 0 BDAARO C[N@H+](Cc1cncc(F)c1)[C@@H]1CCC[C@H]1O ZINC000286277761 384763411 /nfs/dbraw/zinc/76/34/11/384763411.db2.gz BOQSZWPLCAJLPM-VXGBXAGGSA-N 1 0 224.279 1.566 50 0 BDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC1 ZINC000084721829 384764349 /nfs/dbraw/zinc/76/43/49/384764349.db2.gz KMKHIDHYZBQNGC-SECBINFHSA-N 1 0 213.325 1.178 50 0 BDAARO [NH3+][C@@H](C(=O)Nc1ccccc1F)C1CCC1 ZINC000335051554 384784819 /nfs/dbraw/zinc/78/48/19/384784819.db2.gz ROGAHUYKJITEAU-LLVKDONJSA-N 1 0 222.263 1.892 50 0 BDAARO C[NH+](C)[C@@H]1CCCN(c2ncc(F)cn2)CC1 ZINC000072146853 384786208 /nfs/dbraw/zinc/78/62/08/384786208.db2.gz OXZYEDURULAYCD-LLVKDONJSA-N 1 0 238.310 1.536 50 0 BDAARO c1ccc(CCCN2CCC[NH2+]CC2)cc1 ZINC000023093602 384788038 /nfs/dbraw/zinc/78/80/38/384788038.db2.gz QUITYRPYRQXLRN-UHFFFAOYSA-N 1 0 218.344 1.915 50 0 BDAARO OC[C@@H]1C[N@@H+](C2CCCC2)CCC1(F)F ZINC000336031939 384795214 /nfs/dbraw/zinc/79/52/14/384795214.db2.gz QHUQEYCKDAFZNX-VIFPVBQESA-N 1 0 219.275 1.879 50 0 BDAARO [NH3+]C[C@@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000084486473 384874321 /nfs/dbraw/zinc/87/43/21/384874321.db2.gz FEFJBHGNEBOGRH-LBPRGKRZSA-N 1 0 218.300 1.384 50 0 BDAARO CC(C)(C)OC(=O)N1CC=C(CC[NH3+])CC1 ZINC000084253312 384853059 /nfs/dbraw/zinc/85/30/59/384853059.db2.gz NIXOPAWMUCDROQ-UHFFFAOYSA-N 1 0 226.320 1.902 50 0 BDAARO CSCC[N@H+](C)[C@H]1CCN(C(C)C)C1=O ZINC000095422871 384910587 /nfs/dbraw/zinc/91/05/87/384910587.db2.gz TWCDBLJOXQFSSB-JTQLQIEISA-N 1 0 230.377 1.291 50 0 BDAARO CCCCNC(=O)N1CCC([NH+](C)C)CC1 ZINC000058081783 384984889 /nfs/dbraw/zinc/98/48/89/384984889.db2.gz BADPORIQZTYBGA-UHFFFAOYSA-N 1 0 227.352 1.522 50 0 BDAARO COC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000070559859 384999653 /nfs/dbraw/zinc/99/96/53/384999653.db2.gz PCGANPZUXZHYLQ-STQMWFEESA-N 1 0 229.364 1.752 50 0 BDAARO COC[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000090890935 385083425 /nfs/dbraw/zinc/08/34/25/385083425.db2.gz YFGYGTMUPJSECE-GXFFZTMASA-N 1 0 241.306 1.658 50 0 BDAARO O=[n+]1c2c(n(O)c3ccccc31)CCC2 ZINC000100564725 385183408 /nfs/dbraw/zinc/18/34/08/385183408.db2.gz HZUHGLXISAERQK-UHFFFAOYSA-N 1 0 203.221 1.282 50 0 BDAARO CSC[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000096423476 385163163 /nfs/dbraw/zinc/16/31/63/385163163.db2.gz JGSWJUSVWMZFJJ-GHMZBOCLSA-N 1 0 244.404 1.538 50 0 BDAARO CC(C)(C)OC(=O)NCC1([NH3+])CCCC1 ZINC000062151931 385163637 /nfs/dbraw/zinc/16/36/37/385163637.db2.gz JAHRMJAVRFFUPS-UHFFFAOYSA-N 1 0 214.309 1.783 50 0 BDAARO CS[C@H]1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC000096441605 385167168 /nfs/dbraw/zinc/16/71/68/385167168.db2.gz VVYCXIICIBWBDS-QWRGUYRKSA-N 1 0 233.377 1.211 50 0 BDAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000096441703 385168263 /nfs/dbraw/zinc/16/82/63/385168263.db2.gz ZBXZXYBPSXPNKN-IUCAKERBSA-N 1 0 216.350 1.078 50 0 BDAARO [NH3+]CCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000033420610 385232540 /nfs/dbraw/zinc/23/25/40/385232540.db2.gz ZOGFQIAPIPKSIH-UHFFFAOYSA-N 1 0 233.246 1.008 50 0 BDAARO C[C@H](C[N@H+](C)Cc1ccccn1)N1CCOCC1 ZINC000065371164 385304833 /nfs/dbraw/zinc/30/48/33/385304833.db2.gz VLPVOSUGLKLIMK-CYBMUJFWSA-N 1 0 249.358 1.234 50 0 BDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000034225718 385276475 /nfs/dbraw/zinc/27/64/75/385276475.db2.gz HJUZGKGDCUOVML-RKDXNWHRSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@@H]1C[C@H](c2ccccc2F)N(CC(N)=O)C1 ZINC000098015860 385360463 /nfs/dbraw/zinc/36/04/63/385360463.db2.gz KHVZQBBKGZWEEO-BXKDBHETSA-N 1 0 236.290 1.694 50 0 BDAARO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250215398 385597540 /nfs/dbraw/zinc/59/75/40/385597540.db2.gz TZCZOTYQUJQXOU-GXTWGEPZSA-N 1 0 246.354 1.953 50 0 BDAARO NC(=O)[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000186569540 385771249 /nfs/dbraw/zinc/77/12/49/385771249.db2.gz MVJFOOQHPWZLKM-CQSZACIVSA-N 1 0 246.354 1.959 50 0 BDAARO CN(C[C@H]1CCCOC1)C(=O)c1c[nH+]ccc1N ZINC000127825923 385919323 /nfs/dbraw/zinc/91/93/23/385919323.db2.gz DCJGXTBUQPDPDI-SNVBAGLBSA-N 1 0 249.314 1.162 50 0 BDAARO Cn1cccc1-c1noc([C@H]2CC[NH2+]C2)n1 ZINC000221522031 386005915 /nfs/dbraw/zinc/00/59/15/386005915.db2.gz FSECBVMJGXGOAU-QMMMGPOBSA-N 1 0 218.260 1.152 50 0 BDAARO Cc1nc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)o1 ZINC000132723778 386251037 /nfs/dbraw/zinc/25/10/37/386251037.db2.gz VTBBSXADTAJVPJ-OCAPTIKFSA-N 1 0 237.303 1.114 50 0 BDAARO C[NH+](C)CCSc1nnc(NC2CC2)s1 ZINC000032724230 386288052 /nfs/dbraw/zinc/28/80/52/386288052.db2.gz LBUOABSDDNZMJP-UHFFFAOYSA-N 1 0 244.389 1.766 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccn1C ZINC000063192915 386368571 /nfs/dbraw/zinc/36/85/71/386368571.db2.gz ZQEKQUXDOQPKCI-GHMZBOCLSA-N 1 0 235.331 1.367 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2[nH]c(C)cc2C)C1 ZINC000133860546 386380039 /nfs/dbraw/zinc/38/00/39/386380039.db2.gz XTZVWFGYBHGYLT-NSHDSACASA-N 1 0 235.331 1.456 50 0 BDAARO COCc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000124667372 386664669 /nfs/dbraw/zinc/66/46/69/386664669.db2.gz IXDVUAQEEGJVHO-LLVKDONJSA-N 1 0 248.326 1.267 50 0 BDAARO C[NH+](C)CCNC(=O)Cc1noc2ccccc12 ZINC000015674979 386778095 /nfs/dbraw/zinc/77/80/95/386778095.db2.gz NEORNCORMBNPQX-UHFFFAOYSA-N 1 0 247.298 1.048 50 0 BDAARO COCc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000125933157 386919249 /nfs/dbraw/zinc/91/92/49/386919249.db2.gz AXBPSYIMPGMHIR-NSHDSACASA-N 1 0 248.326 1.267 50 0 BDAARO COC(=O)c1cnc([C@@H]2CCC[NH2+]C2)s1 ZINC000260701212 387042009 /nfs/dbraw/zinc/04/20/09/387042009.db2.gz LAZIBZCSVCKQBN-SSDOTTSWSA-N 1 0 226.301 1.397 50 0 BDAARO Cc1cscc1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333204303 387021394 /nfs/dbraw/zinc/02/13/94/387021394.db2.gz YPSVHJPNYWPNMC-SECBINFHSA-N 1 0 239.344 1.930 50 0 BDAARO C[C@@H](O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000053932011 387094821 /nfs/dbraw/zinc/09/48/21/387094821.db2.gz FPFWZFYSEGTOGN-LLVKDONJSA-N 1 0 221.300 1.572 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000237635177 387102768 /nfs/dbraw/zinc/10/27/68/387102768.db2.gz ABAZOAFEUWBPBT-YBJDMEARSA-N 1 0 244.338 1.829 50 0 BDAARO Cc1cncc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000088451656 387189454 /nfs/dbraw/zinc/18/94/54/387189454.db2.gz SVXRDWYDYFGPLD-WCQYABFASA-N 1 0 247.342 1.732 50 0 BDAARO Cc1noc(C)c1COC[C@@H]1CCC[NH2+]C1 ZINC000051815174 387264971 /nfs/dbraw/zinc/26/49/71/387264971.db2.gz MDBYZGCXBKFZDA-LLVKDONJSA-N 1 0 224.304 1.808 50 0 BDAARO Fc1ccc(OC[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000070834071 387284161 /nfs/dbraw/zinc/28/41/61/387284161.db2.gz OHTCFMKHEAYBKN-VIFPVBQESA-N 1 0 245.681 1.846 50 0 BDAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](O)C2)s1 ZINC000265974707 387306694 /nfs/dbraw/zinc/30/66/94/387306694.db2.gz CWEHVMWGWZGPMU-JTQLQIEISA-N 1 0 226.345 1.717 50 0 BDAARO Cc1oncc1C(=O)NCC1CC[NH+](C)CC1 ZINC000575604052 387376724 /nfs/dbraw/zinc/37/67/24/387376724.db2.gz PGZZIVZYBJYPBY-UHFFFAOYSA-N 1 0 237.303 1.055 50 0 BDAARO C[C@@H]1C[C@@]2(O)c3ccccc3N(C)[C@H]2[NH2+]1 ZINC000257355538 387345992 /nfs/dbraw/zinc/34/59/92/387345992.db2.gz BCXMVWNDJBSFKC-GGZOMVNGSA-N 1 0 204.273 1.032 50 0 BDAARO C[C@@H]1[C@H](C)SCCN1C(=O)CCC[NH3+] ZINC000157708509 387478851 /nfs/dbraw/zinc/47/88/51/387478851.db2.gz SRARLJLXORQYSQ-BDAKNGLRSA-N 1 0 216.350 1.078 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000192839109 387707651 /nfs/dbraw/zinc/70/76/51/387707651.db2.gz UQRQOBJXQARBAA-GARJFASQSA-N 1 0 229.320 1.173 50 0 BDAARO Cc1cc(C)c(OCCC[NH2+]CCO)c(C)c1 ZINC000002903191 177868502 /nfs/dbraw/zinc/86/85/02/177868502.db2.gz FZHISMRKHQBLCG-UHFFFAOYSA-N 1 0 237.343 1.963 50 0 BDAARO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)C(N)=O ZINC000249101961 387958000 /nfs/dbraw/zinc/95/80/00/387958000.db2.gz WLXOWWFKSBCFJX-FPMFFAJLSA-N 1 0 246.354 1.861 50 0 BDAARO CCOCc1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000037000132 388085120 /nfs/dbraw/zinc/08/51/20/388085120.db2.gz JYRUXRZTMXDQJW-ZDUSSCGKSA-N 1 0 248.326 1.914 50 0 BDAARO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000170612363 388256992 /nfs/dbraw/zinc/25/69/92/388256992.db2.gz IRTSYWORZNLDOB-XHNCKOQMSA-N 1 0 241.253 1.050 50 0 BDAARO Cc1cc(C)c(CN2CCO[C@@H](C[NH3+])C2)cc1C ZINC000065397390 388276200 /nfs/dbraw/zinc/27/62/00/388276200.db2.gz YYFLMDNMQBCXNK-HNNXBMFYSA-N 1 0 248.370 1.771 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1F ZINC000107914993 177754374 /nfs/dbraw/zinc/75/43/74/177754374.db2.gz VOYGFXCZPOLVIF-LLVKDONJSA-N 1 0 236.290 1.697 50 0 BDAARO C[C@H](C[NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC000162275957 388349809 /nfs/dbraw/zinc/34/98/09/388349809.db2.gz XKVSEANGMROMOD-CYBMUJFWSA-N 1 0 249.354 1.921 50 0 BDAARO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)C1CCC1 ZINC000089629484 388355922 /nfs/dbraw/zinc/35/59/22/388355922.db2.gz VETUZZDBEOUKGH-JTQLQIEISA-N 1 0 247.404 1.978 50 0 BDAARO CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000132688395 388367295 /nfs/dbraw/zinc/36/72/95/388367295.db2.gz MNZGELBQXQRQMZ-DTWKUNHWSA-N 1 0 228.336 1.186 50 0 BDAARO CCC(CO)(CO)[NH2+]Cc1cccc(F)c1 ZINC000076017783 388368898 /nfs/dbraw/zinc/36/88/98/388368898.db2.gz OCNPPCMLLRUNQK-UHFFFAOYSA-N 1 0 227.279 1.049 50 0 BDAARO CCSC[C@H](C)[N@H+](C)C[C@H](O)CC ZINC000089943313 388374431 /nfs/dbraw/zinc/37/44/31/388374431.db2.gz KSADNWKUXKVQRM-VHSXEESVSA-N 1 0 205.367 1.831 50 0 BDAARO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC=CCC1 ZINC000003637819 388384904 /nfs/dbraw/zinc/38/49/04/388384904.db2.gz SHAMZCLZESSQBD-AWEZNQCLSA-N 1 0 247.338 1.997 50 0 in-man BDAARO CCc1nnc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC000527712438 388399831 /nfs/dbraw/zinc/39/98/31/388399831.db2.gz FSZXCASUGKRSQP-MIMYLULJSA-N 1 0 234.347 1.891 50 0 BDAARO Cn1cc([C@H]2CCC[N@@H+]2CCCCO)cn1 ZINC000071797138 388446714 /nfs/dbraw/zinc/44/67/14/388446714.db2.gz BZJZULTYOWCMJH-GFCCVEGCSA-N 1 0 223.320 1.330 50 0 BDAARO CCCCC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000161112280 388455353 /nfs/dbraw/zinc/45/53/53/388455353.db2.gz NPGRIAATWHCFDQ-WDEREUQCSA-N 1 0 228.336 1.141 50 0 BDAARO c1coc(-c2nc(CN[C@H]3CCC[NH2+]C3)no2)c1 ZINC000067920479 388408300 /nfs/dbraw/zinc/40/83/00/388408300.db2.gz IGCQWEKEFGCERO-VIFPVBQESA-N 1 0 248.286 1.171 50 0 BDAARO C[C@]1(O)CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000245316646 388415699 /nfs/dbraw/zinc/41/56/99/388415699.db2.gz KBPZKKJOIOEQIP-KFWWJZLASA-N 1 0 247.338 1.492 50 0 BDAARO Cc1ccc(C[NH2+]CCCN2CCOC2=O)nc1 ZINC000195540101 388479336 /nfs/dbraw/zinc/47/93/36/388479336.db2.gz XSLVGCUWBSHOOB-UHFFFAOYSA-N 1 0 249.314 1.322 50 0 BDAARO CC(C)CC[C@@H]1CCCCN1C(=O)C[NH3+] ZINC000122585152 388419355 /nfs/dbraw/zinc/41/93/55/388419355.db2.gz IJKWAVACBPUWTR-NSHDSACASA-N 1 0 212.337 1.762 50 0 BDAARO CC(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069725128 388425375 /nfs/dbraw/zinc/42/53/75/388425375.db2.gz YJWPUCDOXDYKGG-WDEREUQCSA-N 1 0 212.337 1.618 50 0 BDAARO CCOCC[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000069818278 388427232 /nfs/dbraw/zinc/42/72/32/388427232.db2.gz ZHIRUFWBUAXMGO-GHMZBOCLSA-N 1 0 211.309 1.459 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[nH]n1 ZINC000070378889 388435916 /nfs/dbraw/zinc/43/59/16/388435916.db2.gz KEDKFWVWTBEAIX-GXSJLCMTSA-N 1 0 236.319 1.060 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000070393850 388435944 /nfs/dbraw/zinc/43/59/44/388435944.db2.gz ORRFIMOCGYGGJR-CMPLNLGQSA-N 1 0 246.310 1.112 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000095045467 388589996 /nfs/dbraw/zinc/58/99/96/388589996.db2.gz DMMDJHLJDLFANQ-SECBINFHSA-N 1 0 240.253 1.067 50 0 BDAARO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H](O)CO ZINC000002291920 388593473 /nfs/dbraw/zinc/59/34/73/388593473.db2.gz UDCNTWBKSIGAJC-CHWSQXEVSA-N 1 0 229.364 1.702 50 0 BDAARO CC(C)OCCNC(=[NH2+])NC1CCCCC1 ZINC000134112748 388593594 /nfs/dbraw/zinc/59/35/94/388593594.db2.gz XUWJRVMMAJFODO-UHFFFAOYSA-N 1 0 227.352 1.858 50 0 BDAARO Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000237713459 388595776 /nfs/dbraw/zinc/59/57/76/388595776.db2.gz CNPYCQVNYIKWNX-JOYOIKCWSA-N 1 0 235.331 1.523 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCOc3ccccc32)C1 ZINC000107225551 388601085 /nfs/dbraw/zinc/60/10/85/388601085.db2.gz DFKBAINOVFULJR-PWSUYJOCSA-N 1 0 246.310 1.112 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCOC1 ZINC000037738666 388610579 /nfs/dbraw/zinc/61/05/79/388610579.db2.gz ANHFXPDOGDIGFY-JTQLQIEISA-N 1 0 209.293 1.153 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccnc2C)C1 ZINC000094649146 388630613 /nfs/dbraw/zinc/63/06/13/388630613.db2.gz ODOUGGMJGCZNHP-LLVKDONJSA-N 1 0 233.315 1.214 50 0 BDAARO COC(=O)CN1CCC[C@H]1COc1ccccc1 ZINC000079100110 388745644 /nfs/dbraw/zinc/74/56/44/388745644.db2.gz VNTFOBZDWXCQPM-LBPRGKRZSA-N 1 0 249.310 1.703 50 0 BDAARO CN(C[C@H]1CCOC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000225485080 388718113 /nfs/dbraw/zinc/71/81/13/388718113.db2.gz RYWXNYHJXBDBFY-DGCLKSJQSA-N 1 0 248.326 1.181 50 0 BDAARO CO[C@@H]1C[N@H+](Cc2cncnc2)CC[C@@H]1C ZINC000225493566 388721684 /nfs/dbraw/zinc/72/16/84/388721684.db2.gz JDULLGWROWRSSQ-CMPLNLGQSA-N 1 0 221.304 1.333 50 0 BDAARO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccccn1 ZINC000069845041 388725656 /nfs/dbraw/zinc/72/56/56/388725656.db2.gz BWTXRTRNKATACV-GFCCVEGCSA-N 1 0 247.342 1.638 50 0 BDAARO O=C1[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1C1CC1 ZINC000123347694 388731516 /nfs/dbraw/zinc/73/15/16/388731516.db2.gz FOHWKRSKCNLCDX-GFCCVEGCSA-N 1 0 234.343 1.626 50 0 BDAARO Cc1c(C[NH2+][C@H](C)C[C@H]2CCOC2)cnn1C ZINC000095975173 388798434 /nfs/dbraw/zinc/79/84/34/388798434.db2.gz WLNQOCSSZMZVBS-ZYHUDNBSSA-N 1 0 237.347 1.633 50 0 BDAARO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc[nH]n2)C1(C)C ZINC000095463496 388775176 /nfs/dbraw/zinc/77/51/76/388775176.db2.gz ZZDPUBQGSLYFJB-INTQDDNPSA-N 1 0 223.320 1.559 50 0 BDAARO COC(=O)[C@H](F)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000252487893 388858777 /nfs/dbraw/zinc/85/87/77/388858777.db2.gz IDKRJUFWKAAYKA-WDEREUQCSA-N 1 0 229.295 1.786 50 0 BDAARO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000038343237 177641978 /nfs/dbraw/zinc/64/19/78/177641978.db2.gz UYEIEGLYUGHKSN-SECBINFHSA-N 1 0 217.272 1.494 50 0 BDAARO Cc1cccc(N2CCN(C(N)=[NH2+])CC2)c1 ZINC000003631915 132315754 /nfs/dbraw/zinc/31/57/54/132315754.db2.gz PBPAHFQRYYPXCM-UHFFFAOYSA-N 1 0 218.304 1.010 50 0 BDAARO Cc1nccc(N2CCC([NH+](C)C)CC2)n1 ZINC000360225892 132278302 /nfs/dbraw/zinc/27/83/02/132278302.db2.gz SSCNODFGLZBSTH-UHFFFAOYSA-N 1 0 220.320 1.315 50 0 BDAARO CC[NH+]1CCN(c2ccc(CO)cc2)CC1 ZINC000002563839 132315064 /nfs/dbraw/zinc/31/50/64/132315064.db2.gz HWFUWSSTCWTUSE-UHFFFAOYSA-N 1 0 220.316 1.321 50 0 BDAARO Cc1cc(N2CC[NH2+]CC2)nc(C(C)C)n1 ZINC000004219043 132316360 /nfs/dbraw/zinc/31/63/60/132316360.db2.gz WDTSIWZARFGZIE-UHFFFAOYSA-N 1 0 220.320 1.318 50 0 BDAARO [NH3+]C1CCN(c2ncccc2Cl)CC1 ZINC000012359718 132321023 /nfs/dbraw/zinc/32/10/23/132321023.db2.gz FAWPECUVIHDRTQ-UHFFFAOYSA-N 1 0 211.696 1.663 50 0 BDAARO CCCCOc1cccc(N2CC[NH2+]CC2)n1 ZINC000019015200 132324018 /nfs/dbraw/zinc/32/40/18/132324018.db2.gz PPOHEYKESQFZEC-UHFFFAOYSA-N 1 0 235.331 1.670 50 0 BDAARO Cc1cccc(N2CCN(CC[NH3+])CC2)c1 ZINC000019273604 132324309 /nfs/dbraw/zinc/32/43/09/132324309.db2.gz FYQCZSGFLSLOIO-UHFFFAOYSA-N 1 0 219.332 1.076 50 0 BDAARO [NH3+]Cc1ccc(N2CCCC[C@H]2CCO)nc1 ZINC000019257592 132324378 /nfs/dbraw/zinc/32/43/78/132324378.db2.gz FBNWJFRXSWNVFP-LBPRGKRZSA-N 1 0 235.331 1.282 50 0 BDAARO c1ccc2nc(N3CC[NH2+]CC3)cnc2c1 ZINC000025968281 132333261 /nfs/dbraw/zinc/33/32/61/132333261.db2.gz RELPOLSGTUYMFR-UHFFFAOYSA-N 1 0 214.272 1.039 50 0 BDAARO Cc1ccc(N2CCN(CCC[NH3+])CC2)cc1 ZINC000039274794 132346798 /nfs/dbraw/zinc/34/67/98/132346798.db2.gz QGDYQOBBDRREIR-UHFFFAOYSA-N 1 0 233.359 1.466 50 0 BDAARO COC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000052710514 132362488 /nfs/dbraw/zinc/36/24/88/132362488.db2.gz MPMIPDYEQJCGFY-UHFFFAOYSA-N 1 0 248.326 1.372 50 0 BDAARO Cc1cc(F)ccc1N1CCC[C@H]([NH3+])C1=O ZINC000068575110 132390549 /nfs/dbraw/zinc/39/05/49/132390549.db2.gz WAGKQOPBNXIWDM-JTQLQIEISA-N 1 0 222.263 1.588 50 0 BDAARO c1cnnc(N2CCC[C@@H]([NH2+]C3CCCC3)C2)c1 ZINC000069809919 132391498 /nfs/dbraw/zinc/39/14/98/132391498.db2.gz DTDHHGMNNHSUNH-CYBMUJFWSA-N 1 0 246.358 1.978 50 0 BDAARO C[C@H]([NH3+])c1ccc(N2CCCNC2=O)cc1 ZINC000083684236 132425693 /nfs/dbraw/zinc/42/56/93/132425693.db2.gz URIXMQRYAWSUSE-VIFPVBQESA-N 1 0 219.288 1.626 50 0 BDAARO C[NH+](C)C1CCN(c2cncc(F)c2)CC1 ZINC000169725442 132445242 /nfs/dbraw/zinc/44/52/42/132445242.db2.gz CSVIDMQEZPJZDY-UHFFFAOYSA-N 1 0 223.295 1.751 50 0 BDAARO OCC1(C[NH2+][C@@H]2CCCOC2)CCCC1 ZINC000168584995 134227561 /nfs/dbraw/zinc/22/75/61/134227561.db2.gz FDFCAXZXMVPNCN-LLVKDONJSA-N 1 0 213.321 1.308 50 0 BDAARO Cc1cccc(NCCc2ccn(C)n2)[nH+]1 ZINC000227003160 134373360 /nfs/dbraw/zinc/37/33/60/134373360.db2.gz AWKAKFBUVGOQGT-UHFFFAOYSA-N 1 0 216.288 1.778 50 0 BDAARO Cc1cccc2c1nc(C[NH3+])nc2N1CCCC1 ZINC000299799105 135207061 /nfs/dbraw/zinc/20/70/61/135207061.db2.gz POAFHQIBCIBSKM-UHFFFAOYSA-N 1 0 242.326 1.997 50 0 BDAARO C[N@@H+]1CC[C@H](C(=O)Nc2cncc(F)c2)C1 ZINC000334425884 135397371 /nfs/dbraw/zinc/39/73/71/135397371.db2.gz XXLCYKFBZCMRPO-QMMMGPOBSA-N 1 0 223.251 1.111 50 0 BDAARO Cc1ccc(C[N@@H+](C)[C@@H](C)CC(N)=O)cc1 ZINC000097371261 397929907 /nfs/dbraw/zinc/92/99/07/397929907.db2.gz HIPGMSBLQSUBHI-NSHDSACASA-N 1 0 220.316 1.691 50 0 BDAARO CC(C)(C)c1csc(CCNC(=O)C[NH3+])n1 ZINC000170049115 397966471 /nfs/dbraw/zinc/96/64/71/397966471.db2.gz FYQZNSOSDKHHML-UHFFFAOYSA-N 1 0 241.360 1.058 50 0 BDAARO Fc1ccc(C[NH2+]CCn2cccn2)c(F)c1 ZINC000042351818 398013779 /nfs/dbraw/zinc/01/37/79/398013779.db2.gz QUVPISSBSXYPPF-UHFFFAOYSA-N 1 0 237.253 1.951 50 0 BDAARO CC1(C)CCC[N@H+](CCOCCO)CC1 ZINC000083680888 398067225 /nfs/dbraw/zinc/06/72/25/398067225.db2.gz FRVFYNCCFIDOIL-UHFFFAOYSA-N 1 0 215.337 1.507 50 0 BDAARO Cc1nnsc1SCC[NH+](C)C ZINC000005212181 398053577 /nfs/dbraw/zinc/05/35/77/398053577.db2.gz HCLMXKMWIOAYBS-UHFFFAOYSA-N 1 0 203.336 1.500 50 0 BDAARO CC(C)OCC[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069587001 167231016 /nfs/dbraw/zinc/23/10/16/167231016.db2.gz JEUAUMTTZSWWEY-NEPJUHHUSA-N 1 0 215.337 1.647 50 0 BDAARO Brc1ccc(C2=[NH+]CCN2)cc1 ZINC000003165146 166097717 /nfs/dbraw/zinc/09/77/17/166097717.db2.gz UMIZQBIGMUWVTO-UHFFFAOYSA-N 1 0 225.089 1.799 50 0 BDAARO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000005649654 169758940 /nfs/dbraw/zinc/75/89/40/169758940.db2.gz GJJFMKBJSRMPLA-ZFWWWQNUSA-N 1 0 246.354 1.771 50 0 in-man BDAARO CCN(CC)C(=S)SCC[NH+](C)C ZINC000071774057 169762629 /nfs/dbraw/zinc/76/26/29/169762629.db2.gz HVYSNQSFLWTUAC-UHFFFAOYSA-N 1 0 220.407 1.908 50 0 BDAARO CC(C)(C)CC[n+]1ccc(C(N)=O)cc1 ZINC000000254726 166577104 /nfs/dbraw/zinc/57/71/04/166577104.db2.gz PSYSGYLLZMXINY-UHFFFAOYSA-O 1 0 207.297 1.509 50 0 BDAARO Cc1cc(C)c(CNC(=O)[C@H](C)[NH+](C)C)cn1 ZINC000426382909 410658476 /nfs/dbraw/zinc/65/84/76/410658476.db2.gz KODSVAUQURYHFH-NSHDSACASA-N 1 0 235.331 1.265 50 0 BDAARO CC(C)[N@@H+]1CC[C@H](NCc2cccc(O)c2)C1 ZINC000071857575 167025699 /nfs/dbraw/zinc/02/56/99/167025699.db2.gz SBIPQKQIASWNDV-ZDUSSCGKSA-N 1 0 234.343 1.965 50 0 BDAARO CC(C)OCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000126080873 167229002 /nfs/dbraw/zinc/22/90/02/167229002.db2.gz SFIKUNKRTFBZKN-LBPRGKRZSA-N 1 0 215.337 1.912 50 0 BDAARO CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC(F)(F)F ZINC000132984735 167417420 /nfs/dbraw/zinc/41/74/20/167417420.db2.gz RGTVXZZZLFAHKM-QMMMGPOBSA-N 1 0 240.269 1.771 50 0 BDAARO CC(C)[C@](C)([NH2+]CC[C@@H]1CCCO1)C(N)=O ZINC000304548461 167527537 /nfs/dbraw/zinc/52/75/37/167527537.db2.gz JSODGANNALHLEE-JQWIXIFHSA-N 1 0 228.336 1.045 50 0 BDAARO Cc1noc(CN(C[C@H]2CCOC2)C2CC2)n1 ZINC000044937937 411142442 /nfs/dbraw/zinc/14/24/42/411142442.db2.gz DMDFEEXQNGTYJZ-SNVBAGLBSA-N 1 0 237.303 1.379 50 0 BDAARO O=C(CC[NH+]1CCCCCCC1)NC1CC1 ZINC000045735165 411148751 /nfs/dbraw/zinc/14/87/51/411148751.db2.gz SBPJCCJALRGXLY-UHFFFAOYSA-N 1 0 224.348 1.921 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CCCNC1=O)C(C)(C)C(F)F ZINC000658033959 411209090 /nfs/dbraw/zinc/20/90/90/411209090.db2.gz JOOKQDYBXVAYMD-DTWKUNHWSA-N 1 0 248.317 1.782 50 0 BDAARO Nc1cc[nH+]cc1C(=O)N1Cc2ccccc2C1 ZINC000127605201 411167647 /nfs/dbraw/zinc/16/76/47/411167647.db2.gz DDFJFRPZGRGNJM-UHFFFAOYSA-N 1 0 239.278 1.820 50 0 BDAARO CC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000011961704 168175347 /nfs/dbraw/zinc/17/53/47/168175347.db2.gz YOZPQRQVVMJXJP-AWEZNQCLSA-N 1 0 246.354 1.815 50 0 BDAARO CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000005641858 168182300 /nfs/dbraw/zinc/18/23/00/168182300.db2.gz IOXQJHJWIFSYBZ-QMMMGPOBSA-N 1 0 211.227 1.642 50 0 BDAARO CC[N@H+](Cc1cccs1)[C@H]1COC[C@H]1O ZINC000225846201 169922973 /nfs/dbraw/zinc/92/29/73/169922973.db2.gz ZMEYSTHXTWSWNP-WDEREUQCSA-N 1 0 227.329 1.330 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C ZINC000048324679 169972392 /nfs/dbraw/zinc/97/23/92/169972392.db2.gz WCLMIKAGTUGYGG-LLVKDONJSA-N 1 0 236.315 1.802 50 0 BDAARO CCNC(=O)CC[NH2+]CCC1=CCCCC1 ZINC000019736971 170053298 /nfs/dbraw/zinc/05/32/98/170053298.db2.gz VGTBTTSOFFVETJ-UHFFFAOYSA-N 1 0 224.348 1.993 50 0 BDAARO CC[NH2+]C[C@@H](O)COCc1ccccc1OC ZINC000002641903 170119273 /nfs/dbraw/zinc/11/92/73/170119273.db2.gz MABNLINZIPNBSN-GFCCVEGCSA-N 1 0 239.315 1.182 50 0 BDAARO CCOC(=O)[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000026500784 170282123 /nfs/dbraw/zinc/28/21/23/170282123.db2.gz KKESSUGZTMZMJU-OLZOCXBDSA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000098089612 170282266 /nfs/dbraw/zinc/28/22/66/170282266.db2.gz JASVXEYIDKFYPJ-OLZOCXBDSA-N 1 0 233.311 1.895 50 0 BDAARO CCOC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000038580847 170296742 /nfs/dbraw/zinc/29/67/42/170296742.db2.gz QFGHAYOAHABDHO-LBPRGKRZSA-N 1 0 235.283 1.604 50 0 BDAARO CCOC(=O)c1csc([C@@H]2CCC[NH2+]C2)n1 ZINC000075869734 170305801 /nfs/dbraw/zinc/30/58/01/170305801.db2.gz VOUJKGFWZIHNKX-MRVPVSSYSA-N 1 0 240.328 1.787 50 0 BDAARO CCOCCC[NH2+]C1CCN(C)CC1 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171101997 /nfs/dbraw/zinc/10/19/97/171101997.db2.gz VNZZRCPXJDZCIR-NXEZZACHSA-N 1 0 228.336 1.899 50 0 BDAARO CC[C@H](C(=O)NCCc1ccc[nH]1)[NH+](C)C ZINC000089353161 171228563 /nfs/dbraw/zinc/22/85/63/171228563.db2.gz GRKRRJTYBGZZLB-LLVKDONJSA-N 1 0 223.320 1.014 50 0 BDAARO CC[C@H](C(N)=O)[N@@H+]1CCCC(C)(C)CC1 ZINC000087658944 171243804 /nfs/dbraw/zinc/24/38/04/171243804.db2.gz ICJZCOMHNUPLFJ-SNVBAGLBSA-N 1 0 212.337 1.762 50 0 BDAARO CC[C@H](C)C(=O)NCc1ccnc(N(C)C)c1 ZINC000040087495 171251596 /nfs/dbraw/zinc/25/15/96/171251596.db2.gz HHMAUAKNOBVGLV-JTQLQIEISA-N 1 0 235.331 1.810 50 0 BDAARO CC[C@H](C)C(=O)NCc1ccc(N(C)C)nc1 ZINC000040510874 171252090 /nfs/dbraw/zinc/25/20/90/171252090.db2.gz FEVORZHBADRBOI-JTQLQIEISA-N 1 0 235.331 1.810 50 0 BDAARO CC[C@H]1CCN(C(=O)c2ccc(C[NH3+])nc2C)C1 ZINC000097032468 171630004 /nfs/dbraw/zinc/63/00/04/171630004.db2.gz KTDQSHJXGVNLAN-NSHDSACASA-N 1 0 247.342 1.721 50 0 BDAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1ccco1)CC2 ZINC000069652184 172014747 /nfs/dbraw/zinc/01/47/47/172014747.db2.gz SVKUJTOHRBNYBK-SNVBAGLBSA-N 1 0 246.314 1.538 50 0 BDAARO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH3+])s1 ZINC000191988649 172059396 /nfs/dbraw/zinc/05/93/96/172059396.db2.gz QCTPEXURVHLNSM-RITPCOANSA-N 1 0 228.321 1.022 50 0 BDAARO CCc1nnc(NC[C@H]2CCCCC[NH2+]2)o1 ZINC000095354850 172060580 /nfs/dbraw/zinc/06/05/80/172060580.db2.gz LKVAHJHLQOEIHI-SECBINFHSA-N 1 0 224.308 1.576 50 0 BDAARO CCn1c[n+](CCCOc2ccccc2)cn1 ZINC000252489773 172149603 /nfs/dbraw/zinc/14/96/03/172149603.db2.gz KAAGCPVYVLSMSQ-UHFFFAOYSA-N 1 0 232.307 1.660 50 0 BDAARO CCn1cc(C[NH2+]CCO)c2ccccc21 ZINC000020934971 172170119 /nfs/dbraw/zinc/17/01/19/172170119.db2.gz CRBFJVWLJQFTIH-UHFFFAOYSA-N 1 0 218.300 1.743 50 0 BDAARO CCn1ncnc1[C@H](C)[NH2+]C1CCSCC1 ZINC000065434196 172284797 /nfs/dbraw/zinc/28/47/97/172284797.db2.gz YTYZJSNIADOVQR-VIFPVBQESA-N 1 0 240.376 1.844 50 0 BDAARO CN(C(=O)[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019410431 172327813 /nfs/dbraw/zinc/32/78/13/172327813.db2.gz YCESJHZNGLTWIU-LLVKDONJSA-N 1 0 224.348 1.777 50 0 BDAARO CN(C(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000035219147 172333692 /nfs/dbraw/zinc/33/36/92/172333692.db2.gz WULJWLQUNKOTSJ-LLVKDONJSA-N 1 0 210.321 1.530 50 0 BDAARO CN(C)C(=O)C1CC[NH+](CCCCCF)CC1 ZINC000252503008 172354241 /nfs/dbraw/zinc/35/42/41/172354241.db2.gz UXFPTWWIMLQRNI-UHFFFAOYSA-N 1 0 244.354 1.926 50 0 BDAARO CN(C)C(=O)[C@@]1(CCCc2cccnc2)CC[NH2+]1 ZINC000072344346 172384897 /nfs/dbraw/zinc/38/48/97/172384897.db2.gz HEQRAITXPGSRQR-CQSZACIVSA-N 1 0 247.342 1.225 50 0 BDAARO CN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000019686404 172391340 /nfs/dbraw/zinc/39/13/40/172391340.db2.gz HDSHOILACZALKA-SNVBAGLBSA-N 1 0 233.315 1.250 50 0 BDAARO C[NH+](C)C1(CNC(=O)NC2CC2)CCCC1 ZINC000047616896 172402246 /nfs/dbraw/zinc/40/22/46/172402246.db2.gz AHUCIHTWSQFPRY-UHFFFAOYSA-N 1 0 225.336 1.322 50 0 BDAARO C[NH+](C)CCCNC(=O)c1ccc(F)cc1 ZINC000002901610 172440289 /nfs/dbraw/zinc/44/02/89/172440289.db2.gz LGHONIWXOVCQRX-UHFFFAOYSA-N 1 0 224.279 1.507 50 0 BDAARO C[NH+](C)CCNC(=S)Nc1ccc(F)cc1 ZINC000000316122 172464226 /nfs/dbraw/zinc/46/42/26/172464226.db2.gz RVGUVZIMNZBGHP-UHFFFAOYSA-N 1 0 241.335 1.674 50 0 BDAARO C[NH+](C)CCOc1ccc(N)cc1Cl ZINC000014629990 172472851 /nfs/dbraw/zinc/47/28/51/172472851.db2.gz ICDRPBRANFERPO-UHFFFAOYSA-N 1 0 214.696 1.863 50 0 BDAARO C[N@@H+]1CCCN(C(=O)NC2CCCC2)CC1 ZINC000020515016 173012148 /nfs/dbraw/zinc/01/21/48/173012148.db2.gz IIRSWVCJJMJKKT-UHFFFAOYSA-N 1 0 225.336 1.276 50 0 BDAARO CN1CCC[N@H+](C[C@@H](O)c2ccccc2)CC1 ZINC000022029475 173014027 /nfs/dbraw/zinc/01/40/27/173014027.db2.gz DFGYEERMFFUZDK-CQSZACIVSA-N 1 0 234.343 1.358 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000073542587 173015319 /nfs/dbraw/zinc/01/53/19/173015319.db2.gz PAAPTEADZZMLSS-UHFFFAOYSA-N 1 0 249.314 1.330 50 0 BDAARO C[N@@H+]1CCCN(Cc2ccccc2F)CC1 ZINC000019536670 173016116 /nfs/dbraw/zinc/01/61/16/173016116.db2.gz YYGNNOOBTDVTEI-UHFFFAOYSA-N 1 0 222.307 1.963 50 0 BDAARO C[NH+]1CCN(Cc2cc(N)ccc2Cl)CC1 ZINC000020192565 173087438 /nfs/dbraw/zinc/08/74/38/173087438.db2.gz DGSUOEOSEAFRNM-UHFFFAOYSA-N 1 0 239.750 1.670 50 0 BDAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccncc2)C1 ZINC000069618354 173115397 /nfs/dbraw/zinc/11/53/97/173115397.db2.gz VCZXDSAOERJVCR-JTQLQIEISA-N 1 0 234.303 1.155 50 0 BDAARO C[N@@H+]1CC[C@H](CNC(=O)CCC(F)(F)F)C1 ZINC000067804461 173144451 /nfs/dbraw/zinc/14/44/51/173144451.db2.gz CVZFQRBPMQYVJS-MRVPVSSYSA-N 1 0 238.253 1.397 50 0 BDAARO C[N@@H+]1CC[C@](C)(Cn2ccnc2-c2c[nH]cn2)C1 ZINC000071479536 173162766 /nfs/dbraw/zinc/16/27/66/173162766.db2.gz OBZORYWYOOFRNA-ZDUSSCGKSA-N 1 0 245.330 1.615 50 0 BDAARO C[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000000034254 173170590 /nfs/dbraw/zinc/17/05/90/173170590.db2.gz QQXJTCZSGZSZMT-UHFFFAOYSA-N 1 0 214.272 1.255 50 0 BDAARO CNC(=O)CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000095435401 173239340 /nfs/dbraw/zinc/23/93/40/173239340.db2.gz JVGPBYFKFGWQQK-LLVKDONJSA-N 1 0 235.331 1.601 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000015300574 173273869 /nfs/dbraw/zinc/27/38/69/173273869.db2.gz UMSVASYRWDLZGP-ZDUSSCGKSA-N 1 0 248.326 1.578 50 0 BDAARO CNC(=O)C[C@H](C)[N@H+](C)C1Cc2ccccc2C1 ZINC000065526301 173282015 /nfs/dbraw/zinc/28/20/15/173282015.db2.gz OWEBRXBSMJJITJ-NSHDSACASA-N 1 0 246.354 1.610 50 0 BDAARO C[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000037369996 173349729 /nfs/dbraw/zinc/34/97/29/173349729.db2.gz XEIRCWCBCUQXQM-UHFFFAOYSA-N 1 0 243.328 1.078 50 0 BDAARO C[NH2+]CCCc1ccc(OC)c(OC)c1 ZINC000004218668 173350727 /nfs/dbraw/zinc/35/07/27/173350727.db2.gz LXFGWCHPPYFMGW-UHFFFAOYSA-N 1 0 209.289 1.856 50 0 BDAARO C[NH2+]CCc1cn(Cc2ccccc2)nn1 ZINC000019737169 173360624 /nfs/dbraw/zinc/36/06/24/173360624.db2.gz KUZCBYNHKRYENB-UHFFFAOYSA-N 1 0 216.288 1.088 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(C)o2)C1 ZINC000178986842 173369595 /nfs/dbraw/zinc/36/95/95/173369595.db2.gz ICEPEKKWQKUPMN-FYJFLYSWSA-N 1 0 248.326 1.669 50 0 BDAARO C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000019862072 173378215 /nfs/dbraw/zinc/37/82/15/173378215.db2.gz ADXIUXWVYBRUIW-SNVBAGLBSA-N 1 0 226.345 1.341 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC000071143983 173381152 /nfs/dbraw/zinc/38/11/52/173381152.db2.gz YDJKKUJJHPJNGA-LLVKDONJSA-N 1 0 248.326 1.377 50 0 BDAARO C[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000008733253 173388408 /nfs/dbraw/zinc/38/84/08/173388408.db2.gz HWDWWTWNLUIBQT-UHFFFAOYSA-N 1 0 202.257 1.258 50 0 biogenic BDAARO C[NH2+]Cc1nc(-c2cccc(C)c2)no1 ZINC000004487187 173395863 /nfs/dbraw/zinc/39/58/63/173395863.db2.gz RKGDFVNGUPNAIG-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO C[NH2+][C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000053204609 173433199 /nfs/dbraw/zinc/43/31/99/173433199.db2.gz VNPQDMOAZXOFDM-SNVBAGLBSA-N 1 0 236.319 1.131 50 0 BDAARO COCCCN(CCC[NH3+])Cc1ccco1 ZINC000002887716 174221805 /nfs/dbraw/zinc/22/18/05/174221805.db2.gz NNEIPPGWCDZOCN-UHFFFAOYSA-N 1 0 226.320 1.467 50 0 BDAARO COCCCNC(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000065961570 174243976 /nfs/dbraw/zinc/24/39/76/174243976.db2.gz XJDKLDNOKSLVSE-NSHDSACASA-N 1 0 230.352 1.115 50 0 BDAARO COCCCOCC[C@@H]1CCCC[NH2+]1 ZINC000037747446 174255415 /nfs/dbraw/zinc/25/54/15/174255415.db2.gz IRWWBLRTGPMPTJ-NSHDSACASA-N 1 0 201.310 1.572 50 0 BDAARO COCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000053421765 174279391 /nfs/dbraw/zinc/27/93/91/174279391.db2.gz RURRMVSLRCFCSA-UHFFFAOYSA-N 1 0 223.316 1.952 50 0 BDAARO COCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000058345487 174305626 /nfs/dbraw/zinc/30/56/26/174305626.db2.gz CKUOFMQSHIIUOT-UHFFFAOYSA-N 1 0 223.320 1.246 50 0 BDAARO COCC[N@@H+]1CCN(CC=C(C)C)C[C@H]1C ZINC000069847451 174309637 /nfs/dbraw/zinc/30/96/37/174309637.db2.gz RXIWXBQBGGUKSI-CYBMUJFWSA-N 1 0 226.364 1.605 50 0 BDAARO COCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000040017900 174310074 /nfs/dbraw/zinc/31/00/74/174310074.db2.gz UWINHTXFEQMXNF-UHFFFAOYSA-N 1 0 248.370 1.759 50 0 BDAARO COCCN1[C@@H](C)C[NH+](CCSC)C[C@@H]1C ZINC000095434256 174318182 /nfs/dbraw/zinc/31/81/82/174318182.db2.gz IJJGMTKXUGXNEA-RYUDHWBXSA-N 1 0 246.420 1.390 50 0 BDAARO COc1cc(C)ccc1O[C@H]1CC[NH2+]C1 ZINC000014632250 174970864 /nfs/dbraw/zinc/97/08/64/174970864.db2.gz VHXHWUOFRGRECH-JTQLQIEISA-N 1 0 207.273 1.744 50 0 BDAARO COc1cc(NCC[C@H]2CCC[N@@H+]2C)ncn1 ZINC000032578161 175002547 /nfs/dbraw/zinc/00/25/47/175002547.db2.gz KZGGLUPBUDOPQE-SNVBAGLBSA-N 1 0 236.319 1.381 50 0 BDAARO COc1cc(OC)c(NC(=O)[C@@H](C)[NH3+])cc1F ZINC000119030081 175007273 /nfs/dbraw/zinc/00/72/73/175007273.db2.gz VCRWWGAHLNIOSE-ZCFIWIBFSA-N 1 0 242.250 1.129 50 0 BDAARO COc1cc2cc[n+](C)c(C)c2cc1OC ZINC000001566439 175026501 /nfs/dbraw/zinc/02/65/01/175026501.db2.gz FOCLXMCIGUAMGC-UHFFFAOYSA-N 1 0 218.276 1.990 50 0 BDAARO COc1ccc(-c2ccc(OCC[NH3+])nn2)cc1 ZINC000061957826 175034206 /nfs/dbraw/zinc/03/42/06/175034206.db2.gz SWPLJKYCWHXHBG-UHFFFAOYSA-N 1 0 245.282 1.490 50 0 BDAARO COc1ccc(C(=O)OC[C@H]2CC[NH2+]C2)cc1 ZINC000042768908 175065731 /nfs/dbraw/zinc/06/57/31/175065731.db2.gz AJYBOEFSTPKOIT-JTQLQIEISA-N 1 0 235.283 1.462 50 0 BDAARO COc1ccc(CC2(CO)CC[NH2+]CC2)cc1 ZINC000067472654 175088116 /nfs/dbraw/zinc/08/81/16/175088116.db2.gz YODNFPLISYWZMK-UHFFFAOYSA-N 1 0 235.327 1.600 50 0 BDAARO COc1ccc(C[N@H+](C)C[C@@H](C)O)cc1OC ZINC000049829771 175095128 /nfs/dbraw/zinc/09/51/28/175095128.db2.gz PHHSEESNIQJKRO-SNVBAGLBSA-N 1 0 239.315 1.516 50 0 BDAARO COc1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000042774083 175114504 /nfs/dbraw/zinc/11/45/04/175114504.db2.gz MSTVKMYJSJSUHV-LBPRGKRZSA-N 1 0 221.300 1.821 50 0 BDAARO COc1ccc(Cl)cc1C[NH2+]CCN(C)C ZINC000019872334 175120455 /nfs/dbraw/zinc/12/04/55/175120455.db2.gz CPPJLRGNEJKAPG-UHFFFAOYSA-N 1 0 242.750 2.000 50 0 BDAARO COc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000019408380 175145278 /nfs/dbraw/zinc/14/52/78/175145278.db2.gz BCKRVXIBVRXQID-LBPRGKRZSA-N 1 0 234.299 1.776 50 0 BDAARO COc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000004245547 175149177 /nfs/dbraw/zinc/14/91/77/175149177.db2.gz UFNFEMTWSJTTFW-UHFFFAOYSA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccc(OC)c(CN2CC[NH2+]CC2)c1 ZINC000019230200 175165670 /nfs/dbraw/zinc/16/56/70/175165670.db2.gz KITIJFNTLBMYQD-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH3+])c1 ZINC000000057409 175168940 /nfs/dbraw/zinc/16/89/40/175168940.db2.gz WJAJPNHVVFWKKL-RDDDGLTNSA-N 1 0 211.261 1.084 50 0 world BDAARO COc1ccc([C@@H]2C[C@H](O)CC[NH2+]2)cc1OC ZINC000041278401 175185578 /nfs/dbraw/zinc/18/55/78/175185578.db2.gz VDHXXHSCTRTPAC-MNOVXSKESA-N 1 0 237.299 1.489 50 0 BDAARO COc1ccc2[nH]c3c(c2c1)C[NH2+]CC3 ZINC000019798360 175201907 /nfs/dbraw/zinc/20/19/07/175201907.db2.gz HWQBIEUTTWNYFT-UHFFFAOYSA-N 1 0 202.257 1.822 50 0 biogenic BDAARO COc1ccc2cc(CC[NH3+])c(=O)[nH]c2c1 ZINC000011980345 175224490 /nfs/dbraw/zinc/22/44/90/175224490.db2.gz FHCZFNMEQQBLRI-UHFFFAOYSA-N 1 0 218.256 1.038 50 0 BDAARO COc1cccc(CCCN2CC[NH2+]CC2)c1 ZINC000019801379 175251573 /nfs/dbraw/zinc/25/15/73/175251573.db2.gz LFSNEMOUKYWWBJ-UHFFFAOYSA-N 1 0 234.343 1.533 50 0 BDAARO COc1cccc(C[NH2+]C[C@H]2CCOC2)c1 ZINC000037680227 175266110 /nfs/dbraw/zinc/26/61/10/175266110.db2.gz CSCIZPPOAIRCHD-GFCCVEGCSA-N 1 0 221.300 1.821 50 0 BDAARO COc1ccccc1C(=O)[C@H]1CCC[NH2+]C1 ZINC000041232589 175319633 /nfs/dbraw/zinc/31/96/33/175319633.db2.gz RQRYUPCYQZQINT-JTQLQIEISA-N 1 0 219.284 1.878 50 0 BDAARO COc1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000034305674 175341521 /nfs/dbraw/zinc/34/15/21/175341521.db2.gz YHNDTIPVPOPHNA-SNVBAGLBSA-N 1 0 207.273 1.684 50 0 BDAARO C[C@@H](Cn1cncn1)[NH2+]Cc1ccco1 ZINC000067504955 175785195 /nfs/dbraw/zinc/78/51/95/175785195.db2.gz GTPUJKAHEHMKIH-VIFPVBQESA-N 1 0 206.249 1.049 50 0 BDAARO C[C@@H]1C(=O)N(CC[NH+]2CCCCC2)C(=O)[C@H]1C ZINC000147321417 176044062 /nfs/dbraw/zinc/04/40/62/176044062.db2.gz HUYRNDQGLFYZRU-QWRGUYRKSA-N 1 0 238.331 1.113 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000019411042 176068176 /nfs/dbraw/zinc/06/81/76/176068176.db2.gz DCHRCMONPYHVGY-GHMZBOCLSA-N 1 0 210.321 1.530 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000226342339 176094693 /nfs/dbraw/zinc/09/46/93/176094693.db2.gz WWVVNZGEDAPZTG-IJLUTSLNSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCC[N@H+](CCOC(C)(C)C)[C@@H]1CO ZINC000096487482 176097581 /nfs/dbraw/zinc/09/75/81/176097581.db2.gz KZYPVBJSAGRHSP-VXGBXAGGSA-N 1 0 229.364 1.894 50 0 BDAARO C[C@@H]1CCC[N@H+](Cc2csc(N)n2)C1 ZINC000003888608 176101313 /nfs/dbraw/zinc/10/13/13/176101313.db2.gz FIQGFRSJRWEWCC-MRVPVSSYSA-N 1 0 211.334 1.957 50 0 BDAARO C[C@@H]1CCC[NH2+][C@H]1CNC(=O)OC(C)(C)C ZINC000070907146 176112791 /nfs/dbraw/zinc/11/27/91/176112791.db2.gz AYNCOHNAZBUURJ-ZJUUUORDSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000045672819 176160183 /nfs/dbraw/zinc/16/01/83/176160183.db2.gz SVMXIQUBNSPVCB-SECBINFHSA-N 1 0 214.309 1.605 50 0 BDAARO C[C@@H]1C[N@H+](CCCn2cccn2)CC[C@]1(C)O ZINC000091871731 176289753 /nfs/dbraw/zinc/28/97/53/176289753.db2.gz OWMUXKFWPKTUMZ-OLZOCXBDSA-N 1 0 237.347 1.366 50 0 BDAARO C[C@@H]1CN(Cc2ccccc2)[C@H](C)C[NH2+]1 ZINC000038338226 176306113 /nfs/dbraw/zinc/30/61/13/176306113.db2.gz WJTCHBVEUFDSIK-VXGBXAGGSA-N 1 0 204.317 1.869 50 0 BDAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NC2CC2)C1 ZINC000016958050 176361032 /nfs/dbraw/zinc/36/10/32/176361032.db2.gz XXDNUFXGISTMFU-NXEZZACHSA-N 1 0 210.321 1.243 50 0 BDAARO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)CS(C)(=O)=O ZINC000097096361 176682974 /nfs/dbraw/zinc/68/29/74/176682974.db2.gz YIDWPHQPNRAACC-IJLUTSLNSA-N 1 0 247.404 1.835 50 0 BDAARO C[C@H](c1cccc(N)c1)[NH+]1CCOCC1 ZINC000019730813 177036756 /nfs/dbraw/zinc/03/67/56/177036756.db2.gz FGFSGBJDBYGTJD-SNVBAGLBSA-N 1 0 206.289 1.662 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1C[NH3+] ZINC000070176199 177095595 /nfs/dbraw/zinc/09/55/95/177095595.db2.gz BUFLXZIOVJJROB-CMPLNLGQSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(=O)c(O)co2)C1 ZINC000096441774 177198159 /nfs/dbraw/zinc/19/81/59/177198159.db2.gz STJOBDVPGUQTKJ-UWVGGRQHSA-N 1 0 237.299 1.966 50 0 BDAARO C[C@H]1CC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000003681033 177204667 /nfs/dbraw/zinc/20/46/67/177204667.db2.gz DYCKPDCCXCHIEY-STQMWFEESA-N 1 0 226.364 1.487 50 0 BDAARO C[C@H]1CC[C@H]([NH2+]C(C)(C)CCS(C)(=O)=O)C1 ZINC000095988370 177204833 /nfs/dbraw/zinc/20/48/33/177204833.db2.gz YZMUYQYDERYUQJ-QWRGUYRKSA-N 1 0 247.404 1.978 50 0 BDAARO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)c2ccccc21 ZINC000237622860 177222920 /nfs/dbraw/zinc/22/29/20/177222920.db2.gz VIJGAVOZHNBSJC-GWCFXTLKSA-N 1 0 246.310 1.125 50 0 BDAARO C[C@H]1CN(C(=O)c2cc(F)ccc2F)CC[NH2+]1 ZINC000071978918 177226645 /nfs/dbraw/zinc/22/66/45/177226645.db2.gz PWNZPCBWKZDEIU-QMMMGPOBSA-N 1 0 240.253 1.399 50 0 BDAARO C[C@H]1CN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000039186158 177263475 /nfs/dbraw/zinc/26/34/75/177263475.db2.gz NPIPCQHHNIFPQW-JTQLQIEISA-N 1 0 208.280 1.619 50 0 BDAARO C[C@@H]([NH3+])[C@@H](N1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000133202773 177276676 /nfs/dbraw/zinc/27/66/76/177276676.db2.gz TZMCARCFSUVHAG-BZNPZCIMSA-N 1 0 240.269 1.374 50 0 BDAARO C[C@H]1C[NH2+]C(C)(C)CN1C(=O)OC(C)(C)C ZINC000034521493 177281584 /nfs/dbraw/zinc/28/15/84/177281584.db2.gz RFKDQNITCIOVID-VIFPVBQESA-N 1 0 228.336 1.994 50 0 BDAARO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCCCF ZINC000252508303 177302159 /nfs/dbraw/zinc/30/21/59/177302159.db2.gz XJOMIMJGSGCNHN-QWRGUYRKSA-N 1 0 219.300 1.208 50 0 BDAARO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCNC2=O)C1 ZINC000010035758 177314016 /nfs/dbraw/zinc/31/40/16/177314016.db2.gz KDTSCLRFQHVKFR-GRYCIOLGSA-N 1 0 224.348 1.633 50 0 BDAARO C[C@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000170598367 177339808 /nfs/dbraw/zinc/33/98/08/177339808.db2.gz GWRPHVZPFJVKQR-ONGXEEELSA-N 1 0 210.321 1.195 50 0 BDAARO C[C@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000044682149 177365418 /nfs/dbraw/zinc/36/54/18/177365418.db2.gz OGIPSHDJYIEDKG-DTWKUNHWSA-N 1 0 214.309 1.733 50 0 BDAARO [NH3+]C[C@@H]1CCN(c2nc3ncccc3o2)C1 ZINC000034926194 487673351 /nfs/dbraw/zinc/67/33/51/487673351.db2.gz MEAMSTOPEAYMQF-QMMMGPOBSA-N 1 0 218.260 1.008 50 0 BDAARO C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000049714042 487777419 /nfs/dbraw/zinc/77/74/19/487777419.db2.gz IKRARZMUTGSISN-BXKDBHETSA-N 1 0 239.388 1.881 50 0 BDAARO CCCCS(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000682256438 487935352 /nfs/dbraw/zinc/93/53/52/487935352.db2.gz CQYJAYANFBQNIX-GHMZBOCLSA-N 1 0 248.392 1.189 50 0 BDAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC000048753391 323154754 /nfs/dbraw/zinc/15/47/54/323154754.db2.gz NOMQETGOTAIGSA-NSHDSACASA-N 1 0 236.315 1.802 50 0 BDAARO c1ccc(Cc2ncnc3c2C[NH2+]CC3)cc1 ZINC000020442473 323307849 /nfs/dbraw/zinc/30/78/49/323307849.db2.gz NVALTAMLSIENGH-UHFFFAOYSA-N 1 0 225.295 1.713 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000254935370 325777900 /nfs/dbraw/zinc/77/79/00/325777900.db2.gz ABSNMGRTUWGPMH-FOQNGQEVSA-N 1 0 231.299 1.045 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1cccc(F)c1 ZINC000254989175 325781993 /nfs/dbraw/zinc/78/19/93/325781993.db2.gz YJFIJFCGQOKSSE-ISALQUGTSA-N 1 0 248.301 1.659 50 0 BDAARO CC(C)[C@H]1CN(C(=O)c2ccoc2)C[C@@H]1[NH3+] ZINC000091906361 488075590 /nfs/dbraw/zinc/07/55/90/488075590.db2.gz CTORVOPBJIJOAS-MNOVXSKESA-N 1 0 222.288 1.335 50 0 BDAARO C[NH2+]CCNC(=O)NCCCc1cccc(C)c1 ZINC000670459785 487512705 /nfs/dbraw/zinc/51/27/05/487512705.db2.gz WVMSTYGAIAFDBB-UHFFFAOYSA-N 1 0 249.358 1.446 50 0 BDAARO Cc1[nH]nc2c1C[N@H+]([C@@H](C)CC(C)(C)O)CC2 ZINC000670460076 487512884 /nfs/dbraw/zinc/51/28/84/487512884.db2.gz FWTFPDRGQFRVAZ-VIFPVBQESA-N 1 0 237.347 1.626 50 0 BDAARO COCC[C@@H]1CCC[N@H+](CCC(=O)N(C)C)C1 ZINC000670455644 487509241 /nfs/dbraw/zinc/50/92/41/487509241.db2.gz LVYJAHUHAAMIGC-LBPRGKRZSA-N 1 0 242.363 1.213 50 0 BDAARO O=c1ccccn1CCC[NH2+]C1CCOCC1 ZINC000670467506 487520996 /nfs/dbraw/zinc/52/09/96/487520996.db2.gz MZYLYOVTHJPHPK-UHFFFAOYSA-N 1 0 236.315 1.007 50 0 BDAARO C[C@]1(C(=O)Nc2ncccc2O)CCC[NH2+]C1 ZINC000135893087 491130753 /nfs/dbraw/zinc/13/07/53/491130753.db2.gz VYNKOGAAPQLCSQ-LBPRGKRZSA-N 1 0 235.287 1.115 50 0 BDAARO CC(C)(C)OC(=O)CC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388270044 518784497 /nfs/dbraw/zinc/78/44/97/518784497.db2.gz XYLPJSYIBJYKHN-JTQLQIEISA-N 1 0 243.347 1.421 50 0 BDAARO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cncnc1 ZINC000188038305 519290311 /nfs/dbraw/zinc/29/03/11/519290311.db2.gz DZATYCJFMSAGQY-CQSZACIVSA-N 1 0 249.358 1.850 50 0 BDAARO CC(C)N1CC[C@H]([N@@H+]2CCS[C@H](C)C2)C1=O ZINC000252487182 519689224 /nfs/dbraw/zinc/68/92/24/519689224.db2.gz UFDAGFQYQFIQEE-MNOVXSKESA-N 1 0 242.388 1.433 50 0 BDAARO CCCCCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000069780153 520197969 /nfs/dbraw/zinc/19/79/69/520197969.db2.gz FFAQBNONMCGHQU-UHFFFAOYSA-N 1 0 241.379 1.914 50 0 BDAARO COC[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000244708210 522844602 /nfs/dbraw/zinc/84/46/02/522844602.db2.gz KPMCCJPFLXSNGK-LBPRGKRZSA-N 1 0 220.316 1.592 50 0 BDAARO C[N@@H+](CCc1ccccn1)CCN1CCCC1=O ZINC000071903185 522961470 /nfs/dbraw/zinc/96/14/70/522961470.db2.gz ICGSYSNFLQYUTK-UHFFFAOYSA-N 1 0 247.342 1.178 50 0 BDAARO C[N@H+](CCn1cc[nH]c1=O)Cc1cccc(O)c1 ZINC000244774097 522999975 /nfs/dbraw/zinc/99/99/75/522999975.db2.gz PNXUUSBYTQDJPM-UHFFFAOYSA-N 1 0 247.298 1.014 50 0 BDAARO COC(=O)[C@]1(C)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000245338973 524011199 /nfs/dbraw/zinc/01/11/99/524011199.db2.gz PSTYTNIKHJPIFB-NQBHXWOUSA-N 1 0 241.331 1.175 50 0 BDAARO CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000179565438 524082731 /nfs/dbraw/zinc/08/27/31/524082731.db2.gz LENZRUKRCJGYJI-NEPJUHHUSA-N 1 0 222.332 1.553 50 0 BDAARO C[C@@H](CNC(=O)C[C@H]1C=CCC1)[NH+]1CCCC1 ZINC000040522484 524657474 /nfs/dbraw/zinc/65/74/74/524657474.db2.gz UCXVEDAACSCKLL-STQMWFEESA-N 1 0 236.359 1.943 50 0 BDAARO Cc1cccc(OCC(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178565775 524714263 /nfs/dbraw/zinc/71/42/63/524714263.db2.gz GQZJEXZMTCRUQG-GFCCVEGCSA-N 1 0 248.326 1.181 50 0 BDAARO COc1ccccc1[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000158118658 524808449 /nfs/dbraw/zinc/80/84/49/524808449.db2.gz RNOLUTJVBVWOSC-ZYHUDNBSSA-N 1 0 248.326 1.706 50 0 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C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nccs1 ZINC000864092695 589343851 /nfs/dbraw/zinc/34/38/51/589343851.db2.gz UHCUABREDFTWMZ-KWQFWETISA-N 1 0 239.344 1.989 50 0 BDAARO CCC[N@@H+]1CCC[C@H](C(=O)N2CC=CCC2)C1 ZINC000887268888 592473657 /nfs/dbraw/zinc/47/36/57/592473657.db2.gz XIFYOPGLGKFAPE-ZDUSSCGKSA-N 1 0 236.359 1.897 50 0 BDAARO CC(C)C[C@H]([NH3+])[C@@]1(O)CCCSC1 ZINC000958528745 635550714 /nfs/dbraw/zinc/55/07/14/635550714.db2.gz UBHCQMKYYVTJBB-VHSXEESVSA-N 1 0 203.351 1.618 50 0 BDAARO COc1cccc(OCCC[NH2+]CCO)c1 ZINC000023550157 632940880 /nfs/dbraw/zinc/94/08/80/632940880.db2.gz VGSOHDJSYHTLGJ-UHFFFAOYSA-N 1 0 225.288 1.046 50 0 BDAARO Cc1ccccc1C(=O)OCC[NH+](C)C ZINC000004873444 636070686 /nfs/dbraw/zinc/07/06/86/636070686.db2.gz YKXDWWBCRZEASJ-UHFFFAOYSA-N 1 0 207.273 1.713 50 0 BDAARO CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H]([NH3+])CC2 ZINC000238790019 635625002 /nfs/dbraw/zinc/62/50/02/635625002.db2.gz LJSMXQVRQBFKNF-KXUCPTDWSA-N 1 0 226.320 1.876 50 0 BDAARO 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972128826 /nfs/dbraw/zinc/12/88/26/972128826.db2.gz BEAAQNZXLOMNSE-UHFFFAOYSA-N 1 0 220.276 1.049 50 0 BDAARO c1cc2n(n1)CCN(CCC[NH+]1CCCCC1)C2 ZINC000585122517 972151018 /nfs/dbraw/zinc/15/10/18/972151018.db2.gz TVPSNDVSEOREIO-UHFFFAOYSA-N 1 0 248.374 1.575 50 0 BDAARO CC/C=C\CCC[N@@H+]1CCCC(CO)(CO)C1 ZINC000822293533 968514747 /nfs/dbraw/zinc/51/47/47/968514747.db2.gz QQWKFSIMTKLQFX-ARJAWSKDSA-N 1 0 241.375 1.800 50 0 BDAARO COCCC(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000824371958 968594463 /nfs/dbraw/zinc/59/44/63/968594463.db2.gz GXDWRRDHYQSNTO-UHFFFAOYSA-N 1 0 240.347 1.015 50 0 BDAARO NC(=O)CC1CC[NH+](CC[C@@H]2CC2(F)F)CC1 ZINC000826835024 968677868 /nfs/dbraw/zinc/67/78/68/968677868.db2.gz CGBOXZWWMPMXFR-SNVBAGLBSA-N 1 0 246.301 1.619 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2ccc(C3CC3)nn2)C1 ZINC000585651514 973919408 /nfs/dbraw/zinc/91/94/08/973919408.db2.gz DRVJBKSDARAUCC-JTQLQIEISA-N 1 0 219.288 1.437 50 0 BDAARO Cc1cc2c(OC[C@H]3CCC[N@H+]3C)nccn2n1 ZINC000585652792 973929814 /nfs/dbraw/zinc/92/98/14/973929814.db2.gz WTVQRPLJKFWOCP-LLVKDONJSA-N 1 0 246.314 1.511 50 0 BDAARO CCN1CC[NH+](C2CSCCSC2)CC1 ZINC000952868499 974051679 /nfs/dbraw/zinc/05/16/79/974051679.db2.gz QQIFWPJPGLUFSR-UHFFFAOYSA-N 1 0 246.445 1.473 50 0 BDAARO c1cc(-c2ccncc2)nc(N2CC[NH2+]CC2)c1 ZINC000019607628 986325215 /nfs/dbraw/zinc/32/52/15/986325215.db2.gz MWLJTCVRQLLWPV-UHFFFAOYSA-N 1 0 240.310 1.553 50 0 BDAARO C[C@@H](CN(C)CCO)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001506412858 988778020 /nfs/dbraw/zinc/77/80/20/988778020.db2.gz FUEUBNCVOYBTPM-MELADBBJSA-N 1 0 238.375 1.197 50 0 BDAARO CC(C)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)nn1 ZINC001506422627 988781336 /nfs/dbraw/zinc/78/13/36/988781336.db2.gz DXLIPHNHNAGBDU-LBPRGKRZSA-N 1 0 248.374 1.988 50 0 BDAARO Cc1cc(C)n(-c2ccc(C(N)=[NH2+])nc2)n1 ZINC000122600217 177919501 /nfs/dbraw/zinc/91/95/01/177919501.db2.gz RAHJZWYKYBXCIG-UHFFFAOYSA-N 1 0 215.260 1.168 50 0 BDAARO CCC(CC)(CC)[NH2+]CCN1C(=O)CCC1=O ZINC000095432195 168317821 /nfs/dbraw/zinc/31/78/21/168317821.db2.gz QPPAJJAOLZNRCL-UHFFFAOYSA-N 1 0 240.347 1.694 50 0 BDAARO [NH3+][C@@H](CO)c1ccccc1Br ZINC000038124690 346809399 /nfs/dbraw/zinc/80/93/99/346809399.db2.gz VUSFGKBTMASDCO-QMMMGPOBSA-N 1 0 216.078 1.441 50 0 BDAARO Cc1cc(N)nc(NCc2ccccn2)[nH+]1 ZINC000075286310 178109180 /nfs/dbraw/zinc/10/91/80/178109180.db2.gz AGOIOEYQCMJWFD-UHFFFAOYSA-N 1 0 215.260 1.374 50 0 BDAARO Cc1cc(N2CC[NH2+]CC2)n(-c2ccccc2)n1 ZINC000083253937 178115664 /nfs/dbraw/zinc/11/56/64/178115664.db2.gz FBCUUXMVVOANMV-UHFFFAOYSA-N 1 0 242.326 1.590 50 0 BDAARO CCC(CC)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000330033063 168349725 /nfs/dbraw/zinc/34/97/25/168349725.db2.gz WGLBJFWZIYZRBX-GFCCVEGCSA-N 1 0 247.404 1.932 50 0 BDAARO CCn1cncc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421408447 192332562 /nfs/dbraw/zinc/33/25/62/192332562.db2.gz LGGMIAAXCHQBNR-GFCCVEGCSA-N 1 0 236.363 1.429 50 0 BDAARO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cc[nH]c2)cn1 ZINC000170603120 361788592 /nfs/dbraw/zinc/78/85/92/361788592.db2.gz DPALHKLDBCUSEW-ZDUSSCGKSA-N 1 0 230.315 1.876 50 0 BDAARO CCC(CC)C[NH2+]C1(CO)CCOCC1 ZINC000096493567 168359688 /nfs/dbraw/zinc/35/96/88/168359688.db2.gz JNUVBVVPGLDGDM-UHFFFAOYSA-N 1 0 215.337 1.554 50 0 BDAARO CC[C@@H](O)C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000097112615 398237056 /nfs/dbraw/zinc/23/70/56/398237056.db2.gz ALQNMMYHBBMSAF-NQBHXWOUSA-N 1 0 235.327 1.912 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@@H]1CCSC1 ZINC000097108504 398237955 /nfs/dbraw/zinc/23/79/55/398237955.db2.gz RZIFAMSVSRJQTH-MRVPVSSYSA-N 1 0 217.334 1.281 50 0 BDAARO CCCn1nc(C)c(C[N@H+](C)C[C@@H](C)O)c1C ZINC000130709857 398252554 /nfs/dbraw/zinc/25/25/54/398252554.db2.gz SHQHSTYIQNOPSW-SNVBAGLBSA-N 1 0 239.363 1.723 50 0 BDAARO Cc1ccc(-c2n[nH]c(CC[NH3+])n2)cc1 ZINC000034928828 178334537 /nfs/dbraw/zinc/33/45/37/178334537.db2.gz RFRWDHOJQWEWRV-UHFFFAOYSA-N 1 0 202.261 1.281 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1C ZINC000050246298 178397313 /nfs/dbraw/zinc/39/73/13/178397313.db2.gz QBVLXIJFNORZQJ-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO CC(C)(C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000183644260 346852752 /nfs/dbraw/zinc/85/27/52/346852752.db2.gz OOXHQDWGHNNPMK-SECBINFHSA-N 1 0 242.363 1.434 50 0 BDAARO COC[C@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000000263186 342681528 /nfs/dbraw/zinc/68/15/28/342681528.db2.gz RJPWMVXLQUITBW-JTQLQIEISA-N 1 0 239.315 1.828 50 0 BDAARO CC(C)c1ccc(C[NH+](CCO)CCO)cc1 ZINC000000279834 342682080 /nfs/dbraw/zinc/68/20/80/342682080.db2.gz GSLNSLKONOEONZ-UHFFFAOYSA-N 1 0 237.343 1.597 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)c(CO)c1 ZINC000000007601 342669704 /nfs/dbraw/zinc/66/97/04/342669704.db2.gz NDAUXUAQIAJITI-LBPRGKRZSA-N 1 0 239.315 1.306 50 0 fda BDAARO O=C1CCC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@H]34 ZINC000004023974 342741158 /nfs/dbraw/zinc/74/11/58/342741158.db2.gz ZSBXGIUJOOQZMP-QVHKTLOISA-N 1 0 248.370 1.872 50 0 biogenic,in-vitro BDAARO COC(=O)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000004219113 342744632 /nfs/dbraw/zinc/74/46/32/342744632.db2.gz DPDHEFCLHFWWJB-VIFPVBQESA-N 1 0 239.271 1.267 50 0 BDAARO Cn1ccc(C[NH2+]CCc2ccccc2)n1 ZINC000002536461 342723192 /nfs/dbraw/zinc/72/31/92/342723192.db2.gz KFUQJDBRNAORPV-UHFFFAOYSA-N 1 0 215.300 1.752 50 0 in-vitro BDAARO O=C(OCc1ccccc1)N1CC[NH2+]CC1 ZINC000004977160 342755323 /nfs/dbraw/zinc/75/53/23/342755323.db2.gz CTOUWUYDDUSBQE-UHFFFAOYSA-N 1 0 220.272 1.228 50 0 BDAARO COC(=O)[C@@H](C)N(C)Cc1ccoc1C ZINC000042295004 342769827 /nfs/dbraw/zinc/76/98/27/342769827.db2.gz FRMCXWNJUUKOQO-MRVPVSSYSA-N 1 0 211.261 1.581 50 0 BDAARO C[N@H+](C[C@@H]1CCOC1)C1CSCCSC1 ZINC000584885611 342774949 /nfs/dbraw/zinc/77/49/49/342774949.db2.gz ACCPCQUHFOVLCP-JTQLQIEISA-N 1 0 247.429 1.803 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000006626395 342780000 /nfs/dbraw/zinc/78/00/00/342780000.db2.gz SFAIJGZFZQBGLO-WDEREUQCSA-N 1 0 239.702 1.816 50 0 BDAARO CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000006645104 342780438 /nfs/dbraw/zinc/78/04/38/342780438.db2.gz RCMXNLSUDHVDJU-UHFFFAOYSA-N 1 0 204.317 1.870 50 0 BDAARO c1csc(-c2nnn(C3CC[NH2+]CC3)n2)c1 ZINC000006702458 342781182 /nfs/dbraw/zinc/78/11/82/342781182.db2.gz XRVPBKOKSPENLU-UHFFFAOYSA-N 1 0 235.316 1.326 50 0 BDAARO CC(C)(C)OC(=O)NC1(C[NH3+])CCCC1 ZINC000006744690 342781994 /nfs/dbraw/zinc/78/19/94/342781994.db2.gz XEJPADMAPZAZEL-UHFFFAOYSA-N 1 0 214.309 1.783 50 0 BDAARO C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CN(C)CCO1 ZINC000097371048 342788818 /nfs/dbraw/zinc/78/88/18/342788818.db2.gz KNWZWXIIIKKQEL-QJPTWQEYSA-N 1 0 244.404 1.191 50 0 BDAARO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1 ZINC000008326378 342797829 /nfs/dbraw/zinc/79/78/29/342797829.db2.gz GHKMTQNEMVDCDT-LBPRGKRZSA-N 1 0 223.316 1.946 50 0 BDAARO CCOc1cccc(C[NH2+]C(C)(C)CO)c1 ZINC000008325186 342797845 /nfs/dbraw/zinc/79/78/45/342797845.db2.gz UNWXGQMVUFSMOP-UHFFFAOYSA-N 1 0 223.316 1.946 50 0 BDAARO CC(C)(C)OC(=O)NC12CC([NH3+])(C1)CCC2 ZINC000012506823 342852987 /nfs/dbraw/zinc/85/29/87/342852987.db2.gz CXZHLLYWULEMRB-UHFFFAOYSA-N 1 0 226.320 1.925 50 0 BDAARO C[C@H]([NH3+])C(=O)N1c2ccccc2C[C@@H]1C ZINC000013566382 342867928 /nfs/dbraw/zinc/86/79/28/342867928.db2.gz FNFYZMMJAMAITB-IUCAKERBSA-N 1 0 204.273 1.311 50 0 BDAARO Cn1cccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000096446402 398318096 /nfs/dbraw/zinc/31/80/96/398318096.db2.gz GLFIBYRNVALXLN-NSHDSACASA-N 1 0 220.272 1.441 50 0 BDAARO CCO[C@@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)C1(C)C ZINC000236881537 398321667 /nfs/dbraw/zinc/32/16/67/398321667.db2.gz ABGGKUGGXJRVSF-VHSXEESVSA-N 1 0 240.347 1.140 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC000016605965 342913482 /nfs/dbraw/zinc/91/34/82/342913482.db2.gz NQNMLRZGOVELJT-UHFFFAOYSA-N 1 0 222.288 1.494 50 0 BDAARO C[NH+](C)CCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000005322683 398345237 /nfs/dbraw/zinc/34/52/37/398345237.db2.gz XJIKAIAQMHTFQO-UHFFFAOYSA-N 1 0 249.289 1.598 50 0 BDAARO CC[NH+]1CCN(Cc2ccc(OC)cc2)CC1 ZINC000019537521 342951364 /nfs/dbraw/zinc/95/13/64/342951364.db2.gz UTZLJWGRMDDSJX-UHFFFAOYSA-N 1 0 234.343 1.833 50 0 BDAARO O=C(c1ccc(F)cc1)N1CCC[NH2+]CC1 ZINC000019679941 342953660 /nfs/dbraw/zinc/95/36/60/342953660.db2.gz QKGMEMWFVHNYLR-UHFFFAOYSA-N 1 0 222.263 1.261 50 0 BDAARO Nc1ccc(C(=O)CC[NH+]2CCCC2)cc1 ZINC000019775230 342957061 /nfs/dbraw/zinc/95/70/61/342957061.db2.gz WZSPRVAXQIGTBL-UHFFFAOYSA-N 1 0 218.300 1.937 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000019784036 342957417 /nfs/dbraw/zinc/95/74/17/342957417.db2.gz CRKWPUWWNLOVGH-JTQLQIEISA-N 1 0 239.271 1.267 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000019904430 342962591 /nfs/dbraw/zinc/96/25/91/342962591.db2.gz LMSCOAJNKRDPDJ-JTQLQIEISA-N 1 0 236.315 1.770 50 0 BDAARO CC(C)(C)c1ccc(C(=O)NCC[NH3+])cc1 ZINC000020224004 342978185 /nfs/dbraw/zinc/97/81/85/342978185.db2.gz SMPRBLZSOFRUIB-UHFFFAOYSA-N 1 0 220.316 1.673 50 0 BDAARO [NH3+][C@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000020286076 342980539 /nfs/dbraw/zinc/98/05/39/342980539.db2.gz DBOFAIZAMCFPNL-LBPRGKRZSA-N 1 0 225.295 1.960 50 0 BDAARO CC(C)CN1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020916280 342998836 /nfs/dbraw/zinc/99/88/36/342998836.db2.gz CIDABRGBCPDRAJ-AWEZNQCLSA-N 1 0 242.407 1.667 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000022015986 343035575 /nfs/dbraw/zinc/03/55/75/343035575.db2.gz OIKZNKIPPFFTKA-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000012383477 343051580 /nfs/dbraw/zinc/05/15/80/343051580.db2.gz NPMGKAJEKWZCIO-TXEJJXNPSA-N 1 0 223.316 1.250 50 0 BDAARO N[C@@H](c1ccccn1)[C@@H]([NH3+])c1ccccn1 ZINC000022870464 343056361 /nfs/dbraw/zinc/05/63/61/343056361.db2.gz KXJOBYBKMFVPFJ-RYUDHWBXSA-N 1 0 214.272 1.176 50 0 BDAARO N[C@@H](c1cccnc1)[C@@H]([NH3+])c1cccnc1 ZINC000022860005 343056388 /nfs/dbraw/zinc/05/63/88/343056388.db2.gz XPLJUOJBKASXBU-RYUDHWBXSA-N 1 0 214.272 1.176 50 0 BDAARO [NH3+][C@H]1COCc2ccc(Br)cc21 ZINC000030678329 343193265 /nfs/dbraw/zinc/19/32/65/343193265.db2.gz GNICKYODKFSWCS-VIFPVBQESA-N 1 0 228.089 1.979 50 0 BDAARO CCCCN(CC)C(=O)n1cc[n+](C)c1 ZINC000032628713 343238748 /nfs/dbraw/zinc/23/87/48/343238748.db2.gz RQJALKLGGBTLQT-UHFFFAOYSA-N 1 0 210.301 1.403 50 0 BDAARO CC(=O)Nc1ccc(N2CCC(N)=[NH+]2)cc1 ZINC000022014638 343271861 /nfs/dbraw/zinc/27/18/61/343271861.db2.gz DFAIQPPWQRKPAQ-UHFFFAOYSA-N 1 0 218.260 1.127 50 0 BDAARO CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000022858747 343272441 /nfs/dbraw/zinc/27/24/41/343272441.db2.gz GWDPZSFXNGXPTP-SNVBAGLBSA-N 1 0 200.351 1.129 50 0 BDAARO CN(C)Cc1nc(CSCC[NH3+])cs1 ZINC000034586659 343275354 /nfs/dbraw/zinc/27/53/54/343275354.db2.gz FDMDNIIUCZHKFE-UHFFFAOYSA-N 1 0 231.390 1.397 50 0 in-vitro BDAARO Fc1ccc2[nH]cc(CN3CC[NH2+]CC3)c2c1 ZINC000034616718 343276396 /nfs/dbraw/zinc/27/63/96/343276396.db2.gz PFOFHPUVOGVDPE-UHFFFAOYSA-N 1 0 233.290 1.712 50 0 BDAARO CCOc1cccc([C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC000034927141 343280831 /nfs/dbraw/zinc/28/08/31/343280831.db2.gz NCURIUZGZLBULX-AAEUAGOBSA-N 1 0 221.300 1.381 50 0 BDAARO CCc1nc(CN2CCC[NH2+]CC2)cs1 ZINC000036946332 343328416 /nfs/dbraw/zinc/32/84/16/343328416.db2.gz LQTZNJXBZGPXRF-UHFFFAOYSA-N 1 0 225.361 1.501 50 0 BDAARO C[C@@H](CO)[NH2+]Cc1cccc(Br)c1 ZINC000035603811 343300020 /nfs/dbraw/zinc/30/00/20/343300020.db2.gz VUKTVOJGZQVKLB-QMMMGPOBSA-N 1 0 244.132 1.920 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@H]1CCCC[NH2+]1 ZINC000037083408 343333011 /nfs/dbraw/zinc/33/30/11/343333011.db2.gz YQYBCJAUKBYARM-VXGBXAGGSA-N 1 0 224.348 1.920 50 0 BDAARO CCCCCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000036204097 343312182 /nfs/dbraw/zinc/31/21/82/343312182.db2.gz DMJRQHBYFYECHJ-NSHDSACASA-N 1 0 212.337 1.683 50 0 BDAARO O=C([C@@H]1C[C@H]1c1ccccc1F)N1CC[NH2+]CC1 ZINC000038478379 343375450 /nfs/dbraw/zinc/37/54/50/343375450.db2.gz CQIWZIIWZMWNKV-NWDGAFQWSA-N 1 0 248.301 1.361 50 0 BDAARO Clc1cc(OC[C@H]2CCC[NH2+]C2)ncn1 ZINC000040434308 343402874 /nfs/dbraw/zinc/40/28/74/343402874.db2.gz OBGYCCYWHUFYJW-QMMMGPOBSA-N 1 0 227.695 1.508 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000040449992 343404216 /nfs/dbraw/zinc/40/42/16/343404216.db2.gz ISIJQEHRDSCQIU-ZDUSSCGKSA-N 1 0 240.347 1.997 50 0 BDAARO CCc1ccsc1C(=O)NC1CC[NH2+]CC1 ZINC000042411210 343436753 /nfs/dbraw/zinc/43/67/53/343436753.db2.gz QGBITSAUJCYPJH-UHFFFAOYSA-N 1 0 238.356 1.792 50 0 BDAARO O=C(OC[C@@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768390 343451159 /nfs/dbraw/zinc/45/11/59/343451159.db2.gz KRUCOXLUVJJTBP-MRVPVSSYSA-N 1 0 240.690 1.501 50 0 BDAARO Clc1ccc(C2(CNC3=[NH+]CCN3)CC2)cc1 ZINC000069656127 537830118 /nfs/dbraw/zinc/83/01/18/537830118.db2.gz QQNRIPFGDILYKG-UHFFFAOYSA-N 1 0 249.745 1.920 50 0 BDAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000067834367 343905922 /nfs/dbraw/zinc/90/59/22/343905922.db2.gz WNMZZWHIBKHCFE-LBPRGKRZSA-N 1 0 249.358 1.722 50 0 BDAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000067834366 343906059 /nfs/dbraw/zinc/90/60/59/343906059.db2.gz WNMZZWHIBKHCFE-GFCCVEGCSA-N 1 0 249.358 1.722 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CO)c1 ZINC000585136568 344148636 /nfs/dbraw/zinc/14/86/36/344148636.db2.gz KZLQSDZAYNIHGK-GXFFZTMASA-N 1 0 248.326 1.049 50 0 BDAARO [NH3+]CCCNC(=O)O[C@H]1CCC=CCCC1 ZINC000098050693 344197484 /nfs/dbraw/zinc/19/74/84/344197484.db2.gz MMNVKTBTNQJBEE-NSHDSACASA-N 1 0 226.320 1.950 50 0 BDAARO C[C@@H]1C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000084237586 344367957 /nfs/dbraw/zinc/36/79/57/344367957.db2.gz PLLHWQMECGKRCY-RKDXNWHRSA-N 1 0 214.309 1.591 50 0 BDAARO CCC1(CC)[C@H]([NH2+][C@H](C)CO)C[C@H]1OC ZINC000132709947 344306611 /nfs/dbraw/zinc/30/66/11/344306611.db2.gz LKRFGQWJECYRMS-GMTAPVOTSA-N 1 0 215.337 1.551 50 0 BDAARO O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000101784127 344424940 /nfs/dbraw/zinc/42/49/40/344424940.db2.gz QVQHJPYWCKXTFP-HZSPNIEDSA-N 1 0 217.312 1.889 50 0 BDAARO Cc1ccc(F)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000084933574 178672877 /nfs/dbraw/zinc/67/28/77/178672877.db2.gz QQZKFXXNUVTBDO-NSHDSACASA-N 1 0 208.280 1.667 50 0 BDAARO O=c1[nH]c(C[n+]2ccccc2)nc2ccccc21 ZINC000000103507 344523546 /nfs/dbraw/zinc/52/35/46/344523546.db2.gz LCIFIOYKDMNGPG-UHFFFAOYSA-O 1 0 238.270 1.259 50 0 BDAARO CC[NH+](CC)CCC[C@H](C)NC(C)=O ZINC000044124640 344536193 /nfs/dbraw/zinc/53/61/93/344536193.db2.gz ZOJVTDHSAWHVEC-JTQLQIEISA-N 1 0 200.326 1.633 50 0 BDAARO CC[NH+](CC)Cc1csc(C(N)=O)c1 ZINC000000312687 344690697 /nfs/dbraw/zinc/69/06/97/344690697.db2.gz FEOODGUQLGQOFT-UHFFFAOYSA-N 1 0 212.318 1.689 50 0 BDAARO Cc1cncc(N2CCC([NH+](C)C)CC2)n1 ZINC000230459052 344700341 /nfs/dbraw/zinc/70/03/41/344700341.db2.gz RGVWBBIFDGNWHU-UHFFFAOYSA-N 1 0 220.320 1.315 50 0 BDAARO Cc1c[nH]c(CN2CCC[C@H]([NH+](C)C)C2)n1 ZINC000628162245 344863183 /nfs/dbraw/zinc/86/31/83/344863183.db2.gz JCEUJRAJSASOND-NSHDSACASA-N 1 0 222.336 1.244 50 0 BDAARO Cc1ccc(OCC[NH2+]C[C@H](C)O)c(C)c1 ZINC000008753732 178812611 /nfs/dbraw/zinc/81/26/11/178812611.db2.gz RLTAZSDVRDXUJP-LBPRGKRZSA-N 1 0 223.316 1.653 50 0 BDAARO C[C@@H](C(=O)N1CCCC1)[N@H+](C)C[C@H]1CCCO1 ZINC000248096799 345041487 /nfs/dbraw/zinc/04/14/87/345041487.db2.gz GSPGUBOSBNAXOX-NWDGAFQWSA-N 1 0 240.347 1.108 50 0 BDAARO Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cn1 ZINC000014631306 178814063 /nfs/dbraw/zinc/81/40/63/178814063.db2.gz VGGVMJBXDMMNCJ-LLVKDONJSA-N 1 0 206.289 1.768 50 0 BDAARO Nc1cc(N)[nH+]c(SCCc2ccccc2)n1 ZINC000000420959 345594855 /nfs/dbraw/zinc/59/48/55/345594855.db2.gz NBWBFIGEVRVJET-UHFFFAOYSA-N 1 0 246.339 1.976 50 0 BDAARO CCc1nn(C)cc1NC(=O)C[NH+](CC)CC ZINC000091164323 345585103 /nfs/dbraw/zinc/58/51/03/345585103.db2.gz XAQOMSIOPWEUFM-UHFFFAOYSA-N 1 0 238.335 1.263 50 0 BDAARO Cc1c[nH]c(CN2CCC([NH3+])CC2)c(C)c1=O ZINC000030822962 345776633 /nfs/dbraw/zinc/77/66/33/345776633.db2.gz CKFXYABDTPJXFG-UHFFFAOYSA-N 1 0 235.331 1.327 50 0 BDAARO [NH3+][C@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 ZINC000685944676 537934621 /nfs/dbraw/zinc/93/46/21/537934621.db2.gz NYGXCMYDQWYVCJ-INEUFUBQSA-N 1 0 205.183 1.329 50 0 BDAARO CC(C)(C)OC(=O)N1CCc2nc(N)ccc2C1 ZINC000166992681 346180360 /nfs/dbraw/zinc/18/03/60/346180360.db2.gz LVCYIRQQPQEBSD-UHFFFAOYSA-N 1 0 249.314 1.957 50 0 in-vitro BDAARO C[N@H+](CC1CCC1)C1CCS(=O)(=O)CC1 ZINC000079469879 537968077 /nfs/dbraw/zinc/96/80/77/537968077.db2.gz CCPNIOGSQOVJTP-UHFFFAOYSA-N 1 0 231.361 1.296 50 0 BDAARO Cc1cccc(C)c1OCCC[NH2+]CCO ZINC000002900315 179045877 /nfs/dbraw/zinc/04/58/77/179045877.db2.gz VNAWIHWLHOXYFL-UHFFFAOYSA-N 1 0 223.316 1.654 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000003684175 179074433 /nfs/dbraw/zinc/07/44/33/179074433.db2.gz IEQVIRPBXZULDT-CYBMUJFWSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1cccc(C[NH2+]CC[S@@](C)=O)c1 ZINC000089669523 179092684 /nfs/dbraw/zinc/09/26/84/179092684.db2.gz IMJRKLOIHNQTEL-AWEZNQCLSA-N 1 0 211.330 1.463 50 0 BDAARO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH2+]CC2)c1 ZINC000019507159 179173317 /nfs/dbraw/zinc/17/33/17/179173317.db2.gz GOFOJQGSRNMYSQ-LBPRGKRZSA-N 1 0 248.326 1.194 50 0 BDAARO CCCC(=O)NC1CC[NH+](CCC)CC1 ZINC000016580158 347194452 /nfs/dbraw/zinc/19/44/52/347194452.db2.gz JEUIZBXJJSMERY-UHFFFAOYSA-N 1 0 212.337 1.777 50 0 BDAARO Cc1ccc(O)c(C[NH2+]CC[C@H]2CCCO2)n1 ZINC000112716565 187372214 /nfs/dbraw/zinc/37/22/14/187372214.db2.gz WPLSZJAIZMZHLJ-LLVKDONJSA-N 1 0 236.315 1.754 50 0 BDAARO CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000019370222 347213652 /nfs/dbraw/zinc/21/36/52/347213652.db2.gz NMOOIAYQMKTIKS-UHFFFAOYSA-N 1 0 205.305 1.219 50 0 BDAARO Cc1ccccc1CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028490 179257282 /nfs/dbraw/zinc/25/72/82/179257282.db2.gz XUSQDFKMEDVYBV-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO COC(=O)C1(NCC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000195560988 347646688 /nfs/dbraw/zinc/64/66/88/347646688.db2.gz MEFMSSAHIXOSAC-LLVKDONJSA-N 1 0 240.347 1.156 50 0 BDAARO CCn1nccc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000195566321 347647392 /nfs/dbraw/zinc/64/73/92/347647392.db2.gz RYCHEEHJNIKPGP-NEPJUHHUSA-N 1 0 237.347 1.496 50 0 BDAARO Cc1ccc(CN2CC[C@H]([NH3+])C2=O)cc1F ZINC000199704141 347762667 /nfs/dbraw/zinc/76/26/67/347762667.db2.gz AVLJPUXPJYTVTD-NSHDSACASA-N 1 0 222.263 1.194 50 0 BDAARO Cc1ccccc1C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193563218 179284269 /nfs/dbraw/zinc/28/42/69/179284269.db2.gz RJOHUIMPKRRQJP-WCQYABFASA-N 1 0 232.327 1.609 50 0 BDAARO Cc1ccccc1[C@@H]1CN(C(=O)C[NH3+])[C@H](C)CO1 ZINC000237537036 179330802 /nfs/dbraw/zinc/33/08/02/179330802.db2.gz KYJYGOHTVPELHN-YPMHNXCESA-N 1 0 248.326 1.242 50 0 BDAARO Cc1ccnc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000015776204 179434395 /nfs/dbraw/zinc/43/43/95/179434395.db2.gz IWLKNRXWKYRFCK-UHFFFAOYSA-N 1 0 219.288 1.328 50 0 BDAARO C[C@H]1CCCN(c2cc(N)c(N)c[nH+]2)C1 ZINC000669382982 538006916 /nfs/dbraw/zinc/00/69/16/538006916.db2.gz QDCUESGHNJICEE-QMMMGPOBSA-N 1 0 206.293 1.482 50 0 BDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]CCn2cncn2)c1 ZINC000069489399 179748196 /nfs/dbraw/zinc/74/81/96/179748196.db2.gz VYLMRZXLOQNHSM-VXGBXAGGSA-N 1 0 248.334 1.022 50 0 BDAARO COc1ccc(CN2C[C@H]3C[C@@H]2C[NH2+]3)cc1 ZINC000019796120 187417885 /nfs/dbraw/zinc/41/78/85/187417885.db2.gz KUUJGYZFZYKMST-VXGBXAGGSA-N 1 0 218.300 1.241 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]21 ZINC000012506740 187415068 /nfs/dbraw/zinc/41/50/68/187415068.db2.gz ITVHTQLHEQGQNG-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO Cc1csc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)n1 ZINC000091325402 179773926 /nfs/dbraw/zinc/77/39/26/179773926.db2.gz RPFQIACELMATIM-MNOVXSKESA-N 1 0 237.372 1.621 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251033521 538032346 /nfs/dbraw/zinc/03/23/46/538032346.db2.gz LPAQALFERBCDIB-GMTAPVOTSA-N 1 0 210.321 1.372 50 0 BDAARO c1cc(N(C2CC2)C2CC[NH2+]CC2)ncn1 ZINC000212217690 349308328 /nfs/dbraw/zinc/30/83/28/349308328.db2.gz FSNXNVCIDYHMNN-UHFFFAOYSA-N 1 0 218.304 1.197 50 0 BDAARO C[C@H](OC(C)(C)C)[C@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000309153889 350108906 /nfs/dbraw/zinc/10/89/06/350108906.db2.gz MOQSXZMCEOQADU-SDDRHHMPSA-N 1 0 226.364 1.626 50 0 BDAARO Cc1nc2sccc2c(NCC[NH3+])n1 ZINC000055270532 180018083 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241.375 1.920 50 0 BDAARO CC(C)c1cnc(CN(C)[C@H]2CC[NH2+]C2)o1 ZINC000075767026 188132715 /nfs/dbraw/zinc/13/27/15/188132715.db2.gz NVUQGTZHHNXXOZ-JTQLQIEISA-N 1 0 223.320 1.592 50 0 BDAARO FC(F)(F)[C@@H]1CC[NH2+]CC12CCOCC2 ZINC000299805293 180888695 /nfs/dbraw/zinc/88/86/95/180888695.db2.gz HMPMMGLOKNPPGM-MRVPVSSYSA-N 1 0 223.238 1.955 50 0 BDAARO C1C[NH2+][C@@H](c2nc(C3CCOCC3)no2)C1 ZINC000083719018 188142801 /nfs/dbraw/zinc/14/28/01/188142801.db2.gz POSKYPCTXNWJIA-SECBINFHSA-N 1 0 223.276 1.388 50 0 BDAARO CC(C)=CCC[C@@H](C)CC[NH2+]C[C@H](O)CO ZINC000002291918 188159473 /nfs/dbraw/zinc/15/94/73/188159473.db2.gz UDCNTWBKSIGAJC-OLZOCXBDSA-N 1 0 229.364 1.702 50 0 BDAARO Cc1ccc(CCC(=O)NCC[NH+](C)C)cc1 ZINC000010111659 188162016 /nfs/dbraw/zinc/16/20/16/188162016.db2.gz OOQKGBNTKBEORN-UHFFFAOYSA-N 1 0 234.343 1.605 50 0 BDAARO CC(C)=CCN1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106840899 188166921 /nfs/dbraw/zinc/16/69/21/188166921.db2.gz YOMFEJFAWPOBNE-STQMWFEESA-N 1 0 226.364 1.340 50 0 BDAARO CC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000046379164 353634315 /nfs/dbraw/zinc/63/43/15/353634315.db2.gz BOQJWEVWTWMIJM-UHFFFAOYSA-N 1 0 206.289 1.384 50 0 BDAARO Fc1ccccc1CC[NH2+][C@@H]1CCOC1 ZINC000070963720 181011670 /nfs/dbraw/zinc/01/16/70/181011670.db2.gz VPVDPDBKRFQWMX-LLVKDONJSA-N 1 0 209.264 1.747 50 0 BDAARO Cc1cc(N2CCCO[C@H](CF)C2)cc[nH+]1 ZINC000334725291 354525211 /nfs/dbraw/zinc/52/52/11/354525211.db2.gz PBTXHRKYSVIQOF-GFCCVEGCSA-N 1 0 224.279 1.955 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000405692985 354841861 /nfs/dbraw/zinc/84/18/61/354841861.db2.gz DWZMTVBMIJZWLS-OUCADQQQSA-N 1 0 234.343 1.946 50 0 BDAARO CN(C)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000032513721 355549560 /nfs/dbraw/zinc/54/95/60/355549560.db2.gz JLOGRPLFDPCMET-LBPRGKRZSA-N 1 0 228.405 1.908 50 0 BDAARO NC(=[NH2+])c1ccnc(OCCc2ccccc2)c1 ZINC000020516635 181197364 /nfs/dbraw/zinc/19/73/64/181197364.db2.gz GONIDPDJARDOQP-UHFFFAOYSA-N 1 0 241.294 1.987 50 0 BDAARO [NH3+][C@H]1Cc2cc(Br)ccc2NC1=O ZINC000034368791 355834419 /nfs/dbraw/zinc/83/44/19/355834419.db2.gz ILOFLTSKJUDRAP-ZETCQYMHSA-N 1 0 241.088 1.271 50 0 BDAARO NC(=O)C1([NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC000095410324 181214694 /nfs/dbraw/zinc/21/46/94/181214694.db2.gz ZLYFQNKNNASOBS-NSHDSACASA-N 1 0 240.347 1.333 50 0 BDAARO NC(=O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000071824968 181229163 /nfs/dbraw/zinc/22/91/63/181229163.db2.gz HMCBYQHYKYJAEQ-UHFFFAOYSA-N 1 0 232.327 1.774 50 0 BDAARO NC(=O)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000058452543 181230651 /nfs/dbraw/zinc/23/06/51/181230651.db2.gz XXQMMCRIPKBQKB-UHFFFAOYSA-N 1 0 248.326 1.153 50 0 BDAARO NC(=O)C[C@H]([NH2+]C1CCCC1)C1CCOCC1 ZINC000096502727 181245523 /nfs/dbraw/zinc/24/55/23/181245523.db2.gz ADOLKFOCQOWBAZ-LBPRGKRZSA-N 1 0 240.347 1.189 50 0 BDAARO NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000039947515 181259465 /nfs/dbraw/zinc/25/94/65/181259465.db2.gz YSRDPYAWPHYLON-ZDUSSCGKSA-N 1 0 247.342 1.709 50 0 BDAARO C[C@H]1CN2Cc3ccccc3C[C@H]2C[NH2+]1 ZINC000072233306 356374986 /nfs/dbraw/zinc/37/49/86/356374986.db2.gz YYAJPUFVQUKQKT-GWCFXTLKSA-N 1 0 202.301 1.405 50 0 BDAARO NC(=O)[C@@]1(CCCc2ccncc2)CCC[NH2+]1 ZINC000072344213 181276004 /nfs/dbraw/zinc/27/60/04/181276004.db2.gz AWOZLZPQDJHDAT-CYBMUJFWSA-N 1 0 233.315 1.012 50 0 BDAARO CN1C[C@@H](C[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000618256557 356471263 /nfs/dbraw/zinc/47/12/63/356471263.db2.gz ULRAWOOJSYWUPD-LBPRGKRZSA-N 1 0 244.338 1.523 50 0 BDAARO C[C@H]1C[N@H+](C)CCN1Cc1ccncc1F ZINC000336215665 134136910 /nfs/dbraw/zinc/13/69/10/134136910.db2.gz PEXOKDVWTWVAAG-JTQLQIEISA-N 1 0 223.295 1.357 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](C(N)=[NH2+])C1 ZINC000083298253 538466270 /nfs/dbraw/zinc/46/62/70/538466270.db2.gz GNZWSPLUXPUAPB-ZETCQYMHSA-N 1 0 213.281 1.179 50 0 BDAARO Cc1cscc1C(=O)N1[C@@H](C)C[NH2+]C[C@@H]1C ZINC000086816324 538559958 /nfs/dbraw/zinc/55/99/58/538559958.db2.gz FNZGUQHOFQBEHQ-UWVGGRQHSA-N 1 0 238.356 1.879 50 0 BDAARO Cc1ccc(N2CC[C@H]([NH3+])C2=O)cc1C ZINC000049647803 357335059 /nfs/dbraw/zinc/33/50/59/357335059.db2.gz GGXJUXAAMOAVPF-NSHDSACASA-N 1 0 204.273 1.367 50 0 BDAARO [NH3+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000044233196 360004279 /nfs/dbraw/zinc/00/42/79/360004279.db2.gz FEFLEQVGCBGMTC-SECBINFHSA-N 1 0 203.644 1.861 50 0 BDAARO CC(=O)N1c2ccccc2[C@H]2C[NH2+]CC[C@@H]21 ZINC000238062622 360543650 /nfs/dbraw/zinc/54/36/50/360543650.db2.gz VCHMFUOHDGZSMX-YPMHNXCESA-N 1 0 216.284 1.499 50 0 BDAARO [NH3+]C1(C(=O)OCc2ccccc2)CCC1 ZINC000039086903 181330399 /nfs/dbraw/zinc/33/03/99/181330399.db2.gz DYNGVWGYZMKMPE-UHFFFAOYSA-N 1 0 205.257 1.611 50 0 BDAARO [NH3+]C1(c2cncc(Br)c2)CC1 ZINC000084192978 181335460 /nfs/dbraw/zinc/33/54/60/181335460.db2.gz RUSNYPWBTXEEPZ-UHFFFAOYSA-N 1 0 213.078 1.792 50 0 BDAARO [NH3+]C1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000020267674 181343342 /nfs/dbraw/zinc/34/33/42/181343342.db2.gz IFYJKLLFCHUKME-UHFFFAOYSA-N 1 0 236.290 1.318 50 0 BDAARO [NH3+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000020521648 181345104 /nfs/dbraw/zinc/34/51/04/181345104.db2.gz WNQXIWMYWRHSNU-UHFFFAOYSA-N 1 0 226.270 1.888 50 0 BDAARO [NH3+]C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000020267660 181344002 /nfs/dbraw/zinc/34/40/02/181344002.db2.gz USGBCNBSRFZVKE-UHFFFAOYSA-N 1 0 222.263 1.389 50 0 BDAARO [NH3+]CCCC(=O)N1CCc2ccccc2C1 ZINC000011755327 181371500 /nfs/dbraw/zinc/37/15/00/181371500.db2.gz UORFWNLWXPQMOC-UHFFFAOYSA-N 1 0 218.300 1.310 50 0 BDAARO [NH3+]CCCCC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 ZINC000012404577 181374771 /nfs/dbraw/zinc/37/47/71/181374771.db2.gz GXCSQSLTSHYQHE-ZDUSSCGKSA-N 1 0 236.315 1.444 50 0 BDAARO [NH3+]CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000008737716 181380714 /nfs/dbraw/zinc/38/07/14/181380714.db2.gz ZVWBNKZIXYWKTC-ZDUSSCGKSA-N 1 0 204.317 1.825 50 0 BDAARO [NH3+]CCCNC(=O)c1cc2ccccc2[nH]1 ZINC000002866182 181382230 /nfs/dbraw/zinc/38/22/30/181382230.db2.gz QJEIKIAGFQKZGA-UHFFFAOYSA-N 1 0 217.272 1.247 50 0 BDAARO [NH3+]CCCNCc1ccc(F)cc1Cl ZINC000032920027 181383381 /nfs/dbraw/zinc/38/33/81/181383381.db2.gz NGYPRJWIPUTLNJ-UHFFFAOYSA-N 1 0 216.687 1.918 50 0 BDAARO [NH3+]CCNC(=O)c1ccccc1C(F)(F)F ZINC000019261983 181395622 /nfs/dbraw/zinc/39/56/22/181395622.db2.gz JHPPJXRPVMIDLC-UHFFFAOYSA-N 1 0 232.205 1.394 50 0 BDAARO [NH3+]CCc1nnc(Cc2ccccc2)o1 ZINC000011585789 181414632 /nfs/dbraw/zinc/41/46/32/181414632.db2.gz KGQKPPASFROPOQ-UHFFFAOYSA-N 1 0 203.245 1.162 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000026476831 181418821 /nfs/dbraw/zinc/41/88/21/181418821.db2.gz FOIRXKAFHQNPSS-VIFPVBQESA-N 1 0 244.132 1.559 50 0 BDAARO CCC[C@](C)(O)C[NH2+]C[C@@](C)(O)CCC ZINC000002164089 368370075 /nfs/dbraw/zinc/37/00/75/368370075.db2.gz BPDRKWSLLFOOON-RYUDHWBXSA-N 1 0 217.353 1.678 50 0 BDAARO C[C@@H]1C[C@]2(O)c3ccccc3N(C)[C@H]2[NH2+]1 ZINC000101366214 368384094 /nfs/dbraw/zinc/38/40/94/368384094.db2.gz BCXMVWNDJBSFKC-FXAINCCUSA-N 1 0 204.273 1.032 50 0 BDAARO CCC(=O)NCc1ccc(C[NH2+]C)cc1 ZINC000145045946 368394143 /nfs/dbraw/zinc/39/41/43/368394143.db2.gz PCIFLYMEFXEFAZ-UHFFFAOYSA-N 1 0 206.289 1.432 50 0 BDAARO CC(=O)N1CCC[C@H](Nc2cc(C)[nH+]c(C)c2)C1 ZINC000584887867 369035611 /nfs/dbraw/zinc/03/56/11/369035611.db2.gz NTMNNNURCZRPIS-ZDUSSCGKSA-N 1 0 247.342 1.543 50 0 BDAARO CC(C)[C@H](CNc1ccncc1F)[NH+](C)C ZINC000584891129 369038491 /nfs/dbraw/zinc/03/84/91/369038491.db2.gz SENRHSGWHJECTA-LBPRGKRZSA-N 1 0 225.311 1.641 50 0 BDAARO Cc1c(C(=O)N2CCN(C)[C@@H](C)C2)ccn1C ZINC000584892774 369039284 /nfs/dbraw/zinc/03/92/84/369039284.db2.gz UKFHMUQTSRACEH-JTQLQIEISA-N 1 0 235.331 1.110 50 0 BDAARO CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000584892677 369039733 /nfs/dbraw/zinc/03/97/33/369039733.db2.gz XVKMZIYIQUWQJZ-LLVKDONJSA-N 1 0 236.319 1.014 50 0 BDAARO [NH3+]C[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000011920023 181456306 /nfs/dbraw/zinc/45/63/06/181456306.db2.gz QOLMBFOCCBCENO-MRVPVSSYSA-N 1 0 224.691 1.652 50 0 BDAARO [NH3+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000012505459 181481372 /nfs/dbraw/zinc/48/13/72/181481372.db2.gz 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WZHFRNLFAKDGLJ-UHFFFAOYSA-N 1 0 216.325 1.901 50 0 BDAARO CC(C)(C)[NH2+]CCCCCOC(N)=O ZINC000096027350 371382632 /nfs/dbraw/zinc/38/26/32/371382632.db2.gz ZKLAFUZUJFHZRY-UHFFFAOYSA-N 1 0 202.298 1.640 50 0 BDAARO OCCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133911934 372129953 /nfs/dbraw/zinc/12/99/53/372129953.db2.gz QKLBJDJHNCGDTB-UHFFFAOYSA-N 1 0 209.264 1.566 50 0 BDAARO O=C(CN1CC[NH2+]CC1)c1ccccc1Cl ZINC000021952803 181964584 /nfs/dbraw/zinc/96/45/84/181964584.db2.gz PPZLYTWNQAISLT-UHFFFAOYSA-N 1 0 238.718 1.428 50 0 BDAARO C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1F ZINC000067504846 372801932 /nfs/dbraw/zinc/80/19/32/372801932.db2.gz CUAKANFTPSACCD-SNVBAGLBSA-N 1 0 234.278 1.596 50 0 BDAARO O=C(COc1ccccc1)NCC[NH+]1CCCC1 ZINC000000383099 182003523 /nfs/dbraw/zinc/00/35/23/182003523.db2.gz DJHVCZIPEGSZEW-UHFFFAOYSA-N 1 0 248.326 1.277 50 0 BDAARO O=C(Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000005682265 182042881 /nfs/dbraw/zinc/04/28/81/182042881.db2.gz VYVLKPHETCGCEA-UHFFFAOYSA-N 1 0 218.300 1.097 50 0 BDAARO O=C(Cc1ccccc1)NCCc1c[nH]cn1 ZINC000013592604 182044236 /nfs/dbraw/zinc/04/42/36/182044236.db2.gz NVQPCTZTCWXYIH-UHFFFAOYSA-N 1 0 229.283 1.311 50 0 BDAARO O=C(Cc1cccs1)NC[C@@H]1CCC[NH2+]C1 ZINC000044501946 182052746 /nfs/dbraw/zinc/05/27/46/182052746.db2.gz WORXAXIOHYUBJZ-SNVBAGLBSA-N 1 0 238.356 1.406 50 0 BDAARO COC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000040465780 373281692 /nfs/dbraw/zinc/28/16/92/373281692.db2.gz VQIYFJOAKKHWII-WDEREUQCSA-N 1 0 228.336 1.012 50 0 BDAARO CC(C)(C)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000069628575 166590426 /nfs/dbraw/zinc/59/04/26/166590426.db2.gz AXGWLMAVYNIQNM-LBPRGKRZSA-N 1 0 226.364 1.485 50 0 BDAARO CCCC[N@H+](C)C[C@]1(O)CCCN(C)C1 ZINC000041123497 374111845 /nfs/dbraw/zinc/11/18/45/374111845.db2.gz ZNPJNWVKTHZEFT-GFCCVEGCSA-N 1 0 214.353 1.175 50 0 BDAARO COC(OC)[C@H](C)[NH2+]Cc1ccccc1F ZINC000070653110 374170778 /nfs/dbraw/zinc/17/07/78/374170778.db2.gz XRNPNLODSUBQSL-VIFPVBQESA-N 1 0 227.279 1.923 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000039951992 182237729 /nfs/dbraw/zinc/23/77/29/182237729.db2.gz OQLARKAOVCMSQV-ZDUSSCGKSA-N 1 0 248.326 1.912 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)c1cccn1C1CC1 ZINC000044501258 182237860 /nfs/dbraw/zinc/23/78/60/182237860.db2.gz KSMSJNTUVWTHPD-NSHDSACASA-N 1 0 247.342 1.552 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179053999 206008095 /nfs/dbraw/zinc/00/80/95/206008095.db2.gz GUHDTDOVVAUIHT-NPQIQWPPSA-N 1 0 244.338 1.829 50 0 BDAARO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[NH2+]1 ZINC000005001351 182356540 /nfs/dbraw/zinc/35/65/40/182356540.db2.gz DGEIDMWGMZQMNY-SNVBAGLBSA-N 1 0 226.226 1.655 50 0 BDAARO CCCC[NH2+]CCCN1CCOCC1 ZINC000002509943 168867041 /nfs/dbraw/zinc/86/70/41/168867041.db2.gz AWXNXBGZWQGAMM-UHFFFAOYSA-N 1 0 200.326 1.098 50 0 BDAARO O=C(Nc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000019412434 182381953 /nfs/dbraw/zinc/38/19/53/182381953.db2.gz NWJQAESAOMBALN-SECBINFHSA-N 1 0 205.261 1.020 50 0 BDAARO O=C(OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000039644663 182604958 /nfs/dbraw/zinc/60/49/58/182604958.db2.gz DMFIILJDODEYHQ-LBPRGKRZSA-N 1 0 219.284 1.729 50 0 BDAARO O=C1CC/[N+](=C\C=C\c2ccccc2)N1 ZINC000005278466 182720866 /nfs/dbraw/zinc/72/08/66/182720866.db2.gz ZDWUFNDKQGRCKA-CEOICYJGSA-O 1 0 201.249 1.218 50 0 BDAARO O=C1OC2(CC[NH2+]CC2)c2ccccc21 ZINC000002391734 182826911 /nfs/dbraw/zinc/82/69/11/182826911.db2.gz RNMPNVBLQHYANU-UHFFFAOYSA-N 1 0 203.241 1.436 50 0 BDAARO OCC1CC[NH+](Cc2ccccn2)CC1 ZINC000002563774 183041341 /nfs/dbraw/zinc/04/13/41/183041341.db2.gz BHICTEOWOQBSSN-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO OCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000035451 183071634 /nfs/dbraw/zinc/07/16/34/183071634.db2.gz IYQAULQBUDUAMP-GFCCVEGCSA-N 1 0 206.289 1.601 50 0 biogenic,in-vitro BDAARO OCC[NH2+]CCCOc1ccccc1Cl ZINC000023550099 183078135 /nfs/dbraw/zinc/07/81/35/183078135.db2.gz ORAYWMLCMMIDDF-UHFFFAOYSA-N 1 0 229.707 1.691 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000002489811 183120810 /nfs/dbraw/zinc/12/08/10/183120810.db2.gz UHAQAHSKJYEAMW-NSHDSACASA-N 1 0 209.264 1.782 50 0 BDAARO OCC[C@H]1CNCC[N@@H+]1CC1CCCCC1 ZINC000019368005 183098291 /nfs/dbraw/zinc/09/82/91/183098291.db2.gz RMMAECHLDBFVPK-ZDUSSCGKSA-N 1 0 226.364 1.223 50 0 BDAARO OC[C@@H]1CNCC[N@H+](CC2CCCCC2)C1 ZINC000044076394 183127393 /nfs/dbraw/zinc/12/73/93/183127393.db2.gz ZGTHRRQPCKNVHH-CYBMUJFWSA-N 1 0 226.364 1.080 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC000000212174 183149503 /nfs/dbraw/zinc/14/95/03/183149503.db2.gz AMUXNDHKZOOTCQ-LLVKDONJSA-N 1 0 227.254 1.922 50 0 BDAARO O[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667470 183190791 /nfs/dbraw/zinc/19/07/91/183190791.db2.gz DTHVCOVZCWXTNT-VXGBXAGGSA-N 1 0 249.310 1.808 50 0 BDAARO O[C@H](COCc1ccco1)C[NH+]1CCCC1 ZINC000000540042 183226112 /nfs/dbraw/zinc/22/61/12/183226112.db2.gz IAICTQOJDXPPLB-NSHDSACASA-N 1 0 225.288 1.253 50 0 BDAARO c1cc(-c2nnc([C@@H]3CCCC[NH2+]3)[nH]2)ccn1 ZINC000082752732 183330881 /nfs/dbraw/zinc/33/08/81/183330881.db2.gz RPYAPCTURZSAHA-JTQLQIEISA-N 1 0 229.287 1.681 50 0 BDAARO c1ccc(-c2nc3c(o2)C[NH2+]CC3)cc1 ZINC000044137167 183383321 /nfs/dbraw/zinc/38/33/21/183383321.db2.gz ABVUBXVONZYCFA-UHFFFAOYSA-N 1 0 200.241 1.987 50 0 BDAARO c1ccc(-c2nc([C@H]3CC[NH2+]C3)no2)cc1 ZINC000169676341 183383553 /nfs/dbraw/zinc/38/35/53/183383553.db2.gz GTJHFUBSIRLRBS-JTQLQIEISA-N 1 0 215.256 1.814 50 0 BDAARO c1ccc(-c2nnc(C3CC[NH2+]CC3)[nH]2)nc1 ZINC000004344045 183383936 /nfs/dbraw/zinc/38/39/36/183383936.db2.gz QITDVUFBATVFRV-UHFFFAOYSA-N 1 0 229.287 1.334 50 0 BDAARO CCC[NH2+][C@H](C)c1nc2ccccc2c(=O)n1C ZINC000004588470 169287887 /nfs/dbraw/zinc/28/78/87/169287887.db2.gz DOYPTKOCQBQOCS-SNVBAGLBSA-N 1 0 245.326 1.994 50 0 BDAARO c1nc2c(n1CCc1ccccc1)CC[NH2+]C2 ZINC000085567124 183397181 /nfs/dbraw/zinc/39/71/81/183397181.db2.gz AKJQTSQTLMSEHF-UHFFFAOYSA-N 1 0 227.311 1.772 50 0 BDAARO CCCOCCOC[C@H]1CCC[NH2+]C1 ZINC000042776101 169310263 /nfs/dbraw/zinc/31/02/63/169310263.db2.gz JEWPDLWOAVLUQD-NSHDSACASA-N 1 0 201.310 1.429 50 0 BDAARO c1nc([C@@H]2CCC[NH2+]C2)n2c1CCCC2 ZINC000082931245 183536659 /nfs/dbraw/zinc/53/66/59/183536659.db2.gz VGKITYSVYVEVGT-SNVBAGLBSA-N 1 0 205.305 1.686 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000004203950 166648893 /nfs/dbraw/zinc/64/88/93/166648893.db2.gz LGEWGFOMLJQHLL-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])C[C@H]21 ZINC000252506401 166651656 /nfs/dbraw/zinc/65/16/56/166651656.db2.gz SIDLVNZIPCOTFU-KXUCPTDWSA-N 1 0 226.320 1.733 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000083050239 166652577 /nfs/dbraw/zinc/65/25/77/166652577.db2.gz WWVFPVXAOTXXOG-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO COc1cc(Cl)c(C[NH3+])cc1OC ZINC000066148483 383849602 /nfs/dbraw/zinc/84/96/02/383849602.db2.gz RPEWDZWYXHOICS-UHFFFAOYSA-N 1 0 201.653 1.816 50 0 BDAARO COC(=O)c1ccc(Cn2c(C)cc(C)[n+]2C)o1 ZINC000000509803 383871959 /nfs/dbraw/zinc/87/19/59/383871959.db2.gz QMLCZZGLTMCTOV-UHFFFAOYSA-N 1 0 249.290 1.357 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000000538237 383875649 /nfs/dbraw/zinc/87/56/49/383875649.db2.gz LRUXWUGFLRLGCD-LLVKDONJSA-N 1 0 239.315 1.564 50 0 BDAARO CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000247446752 383833434 /nfs/dbraw/zinc/83/34/34/383833434.db2.gz YHZRBPQGMYFBOG-SGMGOOAPSA-N 1 0 238.375 1.881 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)NC2CC2)c1 ZINC000036720801 383907043 /nfs/dbraw/zinc/90/70/43/383907043.db2.gz KWXOABDLSFLMJP-UHFFFAOYSA-N 1 0 205.261 1.429 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(CC)Cc1ccccc1 ZINC000036871541 383914395 /nfs/dbraw/zinc/91/43/95/383914395.db2.gz RHQLEROLIAZCET-LBPRGKRZSA-N 1 0 220.316 1.772 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1cccs1 ZINC000036871722 383917305 /nfs/dbraw/zinc/91/73/05/383917305.db2.gz AIJPTOUCRCMAGW-SECBINFHSA-N 1 0 212.318 1.444 50 0 BDAARO c1ccn2c(c1)nnc2C[NH2+]CC1CC1 ZINC000036882483 383918624 /nfs/dbraw/zinc/91/86/24/383918624.db2.gz MVZYGPYOXFHKQO-UHFFFAOYSA-N 1 0 202.261 1.229 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000158403554 383921845 /nfs/dbraw/zinc/92/18/45/383921845.db2.gz QYRKYICMJUBENM-KTRBRXNASA-N 1 0 248.301 1.789 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)CCOc2ccccc2)C1 ZINC000050228844 383982623 /nfs/dbraw/zinc/98/26/23/383982623.db2.gz YMMIVGIWMBUHSI-NSHDSACASA-N 1 0 234.299 1.015 50 0 BDAARO Nc1nnc(SCC[NH+]2CCCCC2)s1 ZINC000002740848 383986059 /nfs/dbraw/zinc/98/60/59/383986059.db2.gz GKFVGPBJOLMAPY-UHFFFAOYSA-N 1 0 244.389 1.698 50 0 BDAARO Cc1cc(C)cc(C(=O)NCCC[NH+](C)C)c1 ZINC000002846268 383990708 /nfs/dbraw/zinc/99/07/08/383990708.db2.gz RFTOSORGCZHHIY-UHFFFAOYSA-N 1 0 234.343 1.985 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000067879631 383956262 /nfs/dbraw/zinc/95/62/62/383956262.db2.gz MOKJNFNJZICTFP-SNVBAGLBSA-N 1 0 245.257 1.545 50 0 BDAARO Cc1ccnc2ccc(Br)c[n+]12 ZINC000000285915 384011819 /nfs/dbraw/zinc/01/18/19/384011819.db2.gz SIHHBEWILXVBOV-UHFFFAOYSA-N 1 0 224.081 1.891 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000004202454 384045490 /nfs/dbraw/zinc/04/54/90/384045490.db2.gz WPWXYQIMXTUMJB-VIFPVBQESA-N 1 0 214.309 1.592 50 0 BDAARO [NH3+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000004218673 384047564 /nfs/dbraw/zinc/04/75/64/384047564.db2.gz PTAQOEKCDLOHFQ-UHFFFAOYSA-N 1 0 218.300 1.771 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OC ZINC000003882501 384031561 /nfs/dbraw/zinc/03/15/61/384031561.db2.gz PVKSSRFGEOCRJZ-NSHDSACASA-N 1 0 239.315 1.564 50 0 BDAARO C[C@]([NH3+])(CO)c1ccc(Br)cc1 ZINC000038124590 384074286 /nfs/dbraw/zinc/07/42/86/384074286.db2.gz OVNIDBFUZGLLRQ-VIFPVBQESA-N 1 0 230.105 1.615 50 0 BDAARO N[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000035677125 384091176 /nfs/dbraw/zinc/09/11/76/384091176.db2.gz ORZCKQHZSBNGRU-QMMMGPOBSA-N 1 0 205.088 1.952 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000255330379 384079899 /nfs/dbraw/zinc/07/98/99/384079899.db2.gz ICPIWSLVADDXNP-GXMNPTEKSA-N 1 0 244.338 1.815 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(CC([NH3+])C2)C1 ZINC000091302508 384116103 /nfs/dbraw/zinc/11/61/03/384116103.db2.gz TWNDWKDXPSDFLL-UHFFFAOYSA-N 1 0 226.320 1.735 50 0 BDAARO CCC[C@H](COC)[NH2+]CCC(=O)OCC ZINC000070625703 384127093 /nfs/dbraw/zinc/12/70/93/384127093.db2.gz GRQBLEVTPZPHLD-SNVBAGLBSA-N 1 0 217.309 1.344 50 0 BDAARO [NH3+][C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1F ZINC000071654958 384173408 /nfs/dbraw/zinc/17/34/08/384173408.db2.gz AVWBDFXDXCRQCS-GHMZBOCLSA-N 1 0 238.262 1.304 50 0 BDAARO [NH3+]C[C@H]1Cc2cccc(-c3cn[nH]c3)c2O1 ZINC000067805974 384182277 /nfs/dbraw/zinc/18/22/77/384182277.db2.gz OYBUTLLTSFAITA-SNVBAGLBSA-N 1 0 215.256 1.339 50 0 BDAARO Cn1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000236093303 384182384 /nfs/dbraw/zinc/18/23/84/384182384.db2.gz WIEGKGYINUDJHW-SNVBAGLBSA-N 1 0 236.319 1.137 50 0 BDAARO O=C1C[C@]2(CCC[NH2+]C2)Oc2ccccc21 ZINC000072233032 384202313 /nfs/dbraw/zinc/20/23/13/384202313.db2.gz DKADPBOTFAEFOV-ZDUSSCGKSA-N 1 0 217.268 1.774 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@](F)(C[NH3+])C1 ZINC000072267031 384203603 /nfs/dbraw/zinc/20/36/03/384203603.db2.gz QLSJCALZHFNFAL-NSHDSACASA-N 1 0 232.299 1.684 50 0 BDAARO Cc1ccc(C(=O)NCCC[NH+](C)C)o1 ZINC000002772588 384188001 /nfs/dbraw/zinc/18/80/01/384188001.db2.gz LWSUFDUSBJZVNK-UHFFFAOYSA-N 1 0 210.277 1.270 50 0 BDAARO Cc1nc(C2CC[NH2+]CC2)cc(N(C)C)n1 ZINC000072343753 384207520 /nfs/dbraw/zinc/20/75/20/384207520.db2.gz UFNZGLAMHQMRFZ-UHFFFAOYSA-N 1 0 220.320 1.318 50 0 BDAARO CN1CCC[C@H]1C[N@H+](C)C1CCSCC1 ZINC000032540669 384237243 /nfs/dbraw/zinc/23/72/43/384237243.db2.gz AJSBBTJNIGSNFN-LBPRGKRZSA-N 1 0 228.405 1.908 50 0 BDAARO O=C1NCC2(CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000082297207 384221921 /nfs/dbraw/zinc/22/19/21/384221921.db2.gz TWGUXHOVQQNFJG-GFCCVEGCSA-N 1 0 230.311 1.270 50 0 BDAARO COC(=O)c1ccc2ncc(C[NH+](C)C)n2c1 ZINC000008855420 384222070 /nfs/dbraw/zinc/22/20/70/384222070.db2.gz NERAYKXMTQLCLV-UHFFFAOYSA-N 1 0 233.271 1.183 50 0 BDAARO c1cncc(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000042773370 384241906 /nfs/dbraw/zinc/24/19/06/384241906.db2.gz AAIAFIIMKRQXSV-NSHDSACASA-N 1 0 206.289 1.850 50 0 BDAARO COC(=O)c1ccccc1CO[C@@H]1CCC[NH2+]C1 ZINC000042782942 384242004 /nfs/dbraw/zinc/24/20/04/384242004.db2.gz PSYBRVFKZXEYOT-GFCCVEGCSA-N 1 0 249.310 1.742 50 0 BDAARO COC(=O)c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000042782951 384242389 /nfs/dbraw/zinc/24/23/89/384242389.db2.gz KLLRNEGJRXEXSY-ZDUSSCGKSA-N 1 0 249.310 1.742 50 0 BDAARO COC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042773116 384242408 /nfs/dbraw/zinc/24/24/08/384242408.db2.gz UHCYZACRIUNVIF-SNVBAGLBSA-N 1 0 235.283 1.462 50 0 BDAARO O=S(=O)(CC1CC[NH2+]CC1)c1ccccc1 ZINC000011967901 384304750 /nfs/dbraw/zinc/30/47/50/384304750.db2.gz WXMPOTSNWRQPPF-UHFFFAOYSA-N 1 0 239.340 1.460 50 0 BDAARO CN(CC(F)F)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000133266285 384281209 /nfs/dbraw/zinc/28/12/09/384281209.db2.gz PTZMODSRVRCKFB-JTQLQIEISA-N 1 0 242.269 1.280 50 0 BDAARO CC[N@@H+]1CCCN(c2nc(C)ns2)[C@@H](C)C1 ZINC000408524141 384290796 /nfs/dbraw/zinc/29/07/96/384290796.db2.gz QMSAMGYOBKPHLR-VIFPVBQESA-N 1 0 240.376 1.767 50 0 BDAARO [NH3+]CCn1cnc2cc(Cl)ccc2c1=O ZINC000013731474 384373327 /nfs/dbraw/zinc/37/33/27/384373327.db2.gz QYBUHYWIUYPEAD-UHFFFAOYSA-N 1 0 223.663 1.009 50 0 BDAARO Cn1cccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000095409666 384374162 /nfs/dbraw/zinc/37/41/62/384374162.db2.gz NHUWSKOLNMMLEN-GJZGRUSLSA-N 1 0 242.322 1.773 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)[C@@H](O)C(F)F ZINC000095347350 384368674 /nfs/dbraw/zinc/36/86/74/384368674.db2.gz PTEMBSJXQINEPT-RKDXNWHRSA-N 1 0 201.216 1.182 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@]12CC[NH2+]C2 ZINC000095743188 384392386 /nfs/dbraw/zinc/39/23/86/384392386.db2.gz WRSIZFQACIWVCA-JOYOIKCWSA-N 1 0 226.320 1.653 50 0 BDAARO CCCCCc1nc2c(c(=O)[nH]1)CC[NH2+]C2 ZINC000077341345 384401224 /nfs/dbraw/zinc/40/12/24/384401224.db2.gz ZFTMBWBOHYKIQI-UHFFFAOYSA-N 1 0 221.304 1.561 50 0 BDAARO c1cn(Cc2cccnc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000096032248 384421589 /nfs/dbraw/zinc/42/15/89/384421589.db2.gz YKLCLDVSMQDSLG-CYBMUJFWSA-N 1 0 242.326 1.793 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@@]2(C)C1 ZINC000095630805 384385557 /nfs/dbraw/zinc/38/55/57/384385557.db2.gz RKITXPQOOVWRNA-SKDRFNHKSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)[C@H](C)[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000014221057 384386668 /nfs/dbraw/zinc/38/66/68/384386668.db2.gz WOVSGMPFFGTZLR-CABZTGNLSA-N 1 0 238.306 1.986 50 0 BDAARO Cn1ccnc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000084331641 384389329 /nfs/dbraw/zinc/38/93/29/384389329.db2.gz VILOUEGRDKWFLO-LLVKDONJSA-N 1 0 245.330 1.284 50 0 BDAARO O=C1OC[C@@H]2[C@H]([NH2+]Cc3ccccc3)CCCN12 ZINC000096372361 384455647 /nfs/dbraw/zinc/45/56/47/384455647.db2.gz JXMGZQLHAJPGBK-CHWSQXEVSA-N 1 0 246.310 1.759 50 0 BDAARO [NH3+]Cc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000047843693 384469006 /nfs/dbraw/zinc/46/90/06/384469006.db2.gz ZLOPBOURHOXQDE-UHFFFAOYSA-N 1 0 218.178 1.646 50 0 BDAARO CS[C@H]1CCC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000097019180 384498230 /nfs/dbraw/zinc/49/82/30/384498230.db2.gz RVUVDZGWPBUKQR-ZJUUUORDSA-N 1 0 230.377 1.468 50 0 BDAARO O=C(CC1CC[NH2+]CC1)NC1CCCC1 ZINC000019440468 384522998 /nfs/dbraw/zinc/52/29/98/384522998.db2.gz JRAXJLNYJPWARE-UHFFFAOYSA-N 1 0 210.321 1.435 50 0 BDAARO C[C@@H]([NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000019415414 384523257 /nfs/dbraw/zinc/52/32/57/384523257.db2.gz VOLCEGNUCYAADY-SECBINFHSA-N 1 0 240.328 1.246 50 0 BDAARO c1ccc(C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000019862375 384545065 /nfs/dbraw/zinc/54/50/65/384545065.db2.gz BMCRQEPTJNQZST-CQSZACIVSA-N 1 0 216.328 1.870 50 0 BDAARO C[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648539 384553394 /nfs/dbraw/zinc/55/33/94/384553394.db2.gz ACQBHEWEEYOHKA-SECBINFHSA-N 1 0 224.691 1.665 50 0 BDAARO COC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000020230861 384603035 /nfs/dbraw/zinc/60/30/35/384603035.db2.gz MEYCYFIWDAQKQK-UHFFFAOYSA-N 1 0 248.326 1.221 50 0 in-vitro BDAARO [NH3+]C[C@@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000050246151 384611847 /nfs/dbraw/zinc/61/18/47/384611847.db2.gz QODHPVUEPSNBEA-LBPRGKRZSA-N 1 0 218.300 1.036 50 0 BDAARO C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C=O ZINC000000112678 384624440 /nfs/dbraw/zinc/62/44/40/384624440.db2.gz KSLKVNOVBQWOTM-SNVBAGLBSA-N 1 0 245.327 1.932 50 0 BDAARO CCC[C@H](C(=O)OCC)N1CC[NH+](CC)CC1 ZINC000071908399 384676257 /nfs/dbraw/zinc/67/62/57/384676257.db2.gz PSUHLBKQQLTSMH-GFCCVEGCSA-N 1 0 242.363 1.356 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C1(C)C ZINC000082370863 384675630 /nfs/dbraw/zinc/67/56/30/384675630.db2.gz QLAWEXSQVWRIQD-QMMMGPOBSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@@H]1CN(c2cc(Cl)ncn2)CC[N@@H+]1C ZINC000082477241 384687443 /nfs/dbraw/zinc/68/74/43/384687443.db2.gz POUAVIFXBYKVTI-MRVPVSSYSA-N 1 0 226.711 1.270 50 0 BDAARO CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000051889952 384700769 /nfs/dbraw/zinc/70/07/69/384700769.db2.gz MTSQXKHRXWCBSI-LBPRGKRZSA-N 1 0 205.305 1.123 50 0 BDAARO COC(=O)c1c[nH]c([C@H]([NH3+])c2ccccc2)n1 ZINC000218777787 384780747 /nfs/dbraw/zinc/78/07/47/384780747.db2.gz LKALLKVSFRFVEP-SNVBAGLBSA-N 1 0 231.255 1.244 50 0 BDAARO CN(CC[NH+](C)C)C(=O)OC(C)(C)C ZINC000083502335 384777176 /nfs/dbraw/zinc/77/71/76/384777176.db2.gz ZINRTSRXCLRXGZ-UHFFFAOYSA-N 1 0 202.298 1.415 50 0 BDAARO C[NH+](C)CCNc1ccc(Br)cn1 ZINC000022148181 384738865 /nfs/dbraw/zinc/73/88/65/384738865.db2.gz YZNKVSIFLBFINU-UHFFFAOYSA-N 1 0 244.136 1.818 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2cccc(F)c2C1 ZINC000083917488 384757695 /nfs/dbraw/zinc/75/76/95/384757695.db2.gz CJSQEJZJJGAPJA-ZDUSSCGKSA-N 1 0 248.301 1.462 50 0 BDAARO CC[C@@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022920576 384780068 /nfs/dbraw/zinc/78/00/68/384780068.db2.gz SEQJZTGNYKDDJR-ZDUSSCGKSA-N 1 0 204.317 1.782 50 0 BDAARO CC[C@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022920581 384780512 /nfs/dbraw/zinc/78/05/12/384780512.db2.gz SEQJZTGNYKDDJR-CYBMUJFWSA-N 1 0 204.317 1.782 50 0 BDAARO Cc1ccnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000061859329 384796034 /nfs/dbraw/zinc/79/60/34/384796034.db2.gz GMEVBTZDVBCRCS-NWDGAFQWSA-N 1 0 232.331 1.824 50 0 BDAARO CC[N@H+](C)C[C@H]1CCN(C(=O)NC(C)C)C1 ZINC000072309525 384863613 /nfs/dbraw/zinc/86/36/13/384863613.db2.gz CPBZWPCAADTGCA-LLVKDONJSA-N 1 0 227.352 1.378 50 0 BDAARO COC(=O)[C@H](NCC1=CCCOC1)C(C)(C)C ZINC000136873390 384865331 /nfs/dbraw/zinc/86/53/31/384865331.db2.gz GYHONHHYSGABKG-NSHDSACASA-N 1 0 241.331 1.510 50 0 BDAARO COc1cccc(N2CC[NH2+]CC2)c1F ZINC000084476695 384868644 /nfs/dbraw/zinc/86/86/44/384868644.db2.gz FACXPIAFKDEUQE-UHFFFAOYSA-N 1 0 210.252 1.244 50 0 BDAARO CC[NH+](CC)CCN(C)C1CCS(=O)CC1 ZINC000096499925 384942836 /nfs/dbraw/zinc/94/28/36/384942836.db2.gz RZRDKTFRMRVVCR-UHFFFAOYSA-N 1 0 246.420 1.171 50 0 BDAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1 ZINC000061883017 384987674 /nfs/dbraw/zinc/98/76/74/384987674.db2.gz NIJQILQTVXBQMS-NWDGAFQWSA-N 1 0 218.300 1.544 50 0 BDAARO Cc1noc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072357353 384989986 /nfs/dbraw/zinc/98/99/86/384989986.db2.gz GATBUTVPFKNQJA-LLVKDONJSA-N 1 0 237.303 1.694 50 0 BDAARO COC[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000090890936 385083117 /nfs/dbraw/zinc/08/31/17/385083117.db2.gz YFGYGTMUPJSECE-ZWNOBZJWSA-N 1 0 241.306 1.658 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000005547521 385202065 /nfs/dbraw/zinc/20/20/65/385202065.db2.gz SVOFDJVSNCKAOE-UHFFFAOYSA-N 1 0 247.342 1.606 50 0 BDAARO Cc1ccc(N)cc1N1CC[C@H]([NH+](C)C)C1 ZINC000062965703 385199598 /nfs/dbraw/zinc/19/95/98/385199598.db2.gz LUAAVCXAZNVMPC-LBPRGKRZSA-N 1 0 219.332 1.718 50 0 BDAARO CSC[C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000096423477 385163537 /nfs/dbraw/zinc/16/35/37/385163537.db2.gz JGSWJUSVWMZFJJ-QWRGUYRKSA-N 1 0 244.404 1.538 50 0 BDAARO Cc1ccc(C)c([C@H](O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC000096483866 385220865 /nfs/dbraw/zinc/22/08/65/385220865.db2.gz HPMCEZYFHSLZSP-GXTWGEPZSA-N 1 0 235.327 1.403 50 0 BDAARO O=C1NCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000064034166 385244213 /nfs/dbraw/zinc/24/42/13/385244213.db2.gz YDCQDXRNSYBVDA-UHFFFAOYSA-N 1 0 244.338 1.789 50 0 BDAARO CNc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000257177915 385248794 /nfs/dbraw/zinc/24/87/94/385248794.db2.gz FNXXZUOVRMZVQB-UHFFFAOYSA-N 1 0 207.277 1.254 50 0 BDAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CC[NH2+]C1 ZINC000169676825 385416587 /nfs/dbraw/zinc/41/65/87/385416587.db2.gz GPNHHRHPVHZIME-GFCCVEGCSA-N 1 0 228.299 1.788 50 0 BDAARO Cc1cnc(C2CCOCC2)n1[C@H]1CC[NH2+]C1 ZINC000169676820 385416910 /nfs/dbraw/zinc/41/69/10/385416910.db2.gz NVAWAKPRDOAWIS-LBPRGKRZSA-N 1 0 235.331 1.620 50 0 BDAARO Cc1cnc(-c2ccncc2)n1[C@H]1CC[NH2+]C1 ZINC000169676824 385417166 /nfs/dbraw/zinc/41/71/66/385417166.db2.gz GODRQOPPMGVCHZ-LBPRGKRZSA-N 1 0 228.299 1.788 50 0 BDAARO O=C(c1ccc(Cl)s1)N1CC[NH2+]CC1 ZINC000051171029 385449847 /nfs/dbraw/zinc/44/98/47/385449847.db2.gz NNMCZYNIBMYRFW-UHFFFAOYSA-N 1 0 230.720 1.447 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([NH3+])C[C@H]2C1 ZINC000250590958 385602712 /nfs/dbraw/zinc/60/27/12/385602712.db2.gz LLTJKZQPTQJCDC-DCAQKATOSA-N 1 0 240.347 1.981 50 0 BDAARO CNc1ccccc1C1=[NH+][C@@H]2C=CC=C[C@H]2N1 ZINC000222377837 385656661 /nfs/dbraw/zinc/65/66/61/385656661.db2.gz SWFKKAOUQQAALN-CHWSQXEVSA-N 1 0 225.295 1.941 50 0 BDAARO CS[C@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000122325131 385910696 /nfs/dbraw/zinc/91/06/96/385910696.db2.gz BTAOYBTWDGRBMO-SECBINFHSA-N 1 0 230.377 1.244 50 0 BDAARO C[C@H](C[NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000335015052 385882428 /nfs/dbraw/zinc/88/24/28/385882428.db2.gz WXBFWCHRNSDSMX-MRVPVSSYSA-N 1 0 222.263 1.310 50 0 BDAARO CO[C@H](C)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000182184220 386081183 /nfs/dbraw/zinc/08/11/83/386081183.db2.gz FRBPLNTXUCRMDL-CYBMUJFWSA-N 1 0 240.391 1.972 50 0 BDAARO C[C@@H]([NH3+])c1ccnc(Br)c1 ZINC000044138900 386280021 /nfs/dbraw/zinc/28/00/21/386280021.db2.gz PTAVZIWHCHMOFY-RXMQYKEDSA-N 1 0 201.067 1.864 50 0 BDAARO [NH3+]C[C@@H]1Cc2c(c(-c3ncccn3)ccc2F)O1 ZINC000299776384 386488870 /nfs/dbraw/zinc/48/88/70/386488870.db2.gz KGKIHKJIRGXVFP-QMMMGPOBSA-N 1 0 245.257 1.545 50 0 BDAARO CCc1ncc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000414443435 386489640 /nfs/dbraw/zinc/48/96/40/386489640.db2.gz ISKHASNQXDWDSG-BETUJISGSA-N 1 0 246.358 1.032 50 0 BDAARO O=C1NC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000238855469 386537353 /nfs/dbraw/zinc/53/73/53/386537353.db2.gz RZDNWXGLKFTFQQ-OLZOCXBDSA-N 1 0 230.311 1.255 50 0 BDAARO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262638491 386542639 /nfs/dbraw/zinc/54/26/39/386542639.db2.gz QHPQFGRSHBFWIM-USZNOCQGSA-N 1 0 240.347 1.140 50 0 BDAARO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3n[nH]cc32)C1 ZINC000069000627 386619892 /nfs/dbraw/zinc/61/98/92/386619892.db2.gz SETOUXPKBBBRLD-SECBINFHSA-N 1 0 246.318 1.248 50 0 BDAARO CN(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042165574 386672691 /nfs/dbraw/zinc/67/26/91/386672691.db2.gz WLVNLEPGEAWKLI-ZDUSSCGKSA-N 1 0 232.327 1.787 50 0 BDAARO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CC(C)(C)C ZINC000085727133 134515703 /nfs/dbraw/zinc/51/57/03/134515703.db2.gz LIDYBIPQIIGPIG-ZJUUUORDSA-N 1 0 212.337 1.679 50 0 BDAARO FC[C@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000334860311 386913061 /nfs/dbraw/zinc/91/30/61/386913061.db2.gz XMFAEQHEIHZQIG-UWVGGRQHSA-N 1 0 219.325 1.410 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)CC(F)(F)F)C[C@@H]12 ZINC000248612698 386992406 /nfs/dbraw/zinc/99/24/06/386992406.db2.gz LHJWXPGDHRRWHU-BWZBUEFSSA-N 1 0 236.237 1.135 50 0 BDAARO Cc1ccc(S(=O)(=O)CCC[NH3+])cc1 ZINC000011896958 386998741 /nfs/dbraw/zinc/99/87/41/386998741.db2.gz HBQHXXLFHKHRKJ-UHFFFAOYSA-N 1 0 213.302 1.118 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000053202649 387020760 /nfs/dbraw/zinc/02/07/60/387020760.db2.gz GIWRWPHZCDZELZ-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO CC[NH+](CC)CCCN1CCO[C@H](C)[C@@H]1C ZINC000191808938 387143075 /nfs/dbraw/zinc/14/30/75/387143075.db2.gz BJXFTPPTFODYIE-QWHCGFSZSA-N 1 0 228.380 1.828 50 0 BDAARO FC1(F)CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000306212068 387208663 /nfs/dbraw/zinc/20/86/63/387208663.db2.gz JZBINXAXUOQSPQ-RKDXNWHRSA-N 1 0 205.248 1.943 50 0 BDAARO Cc1cccc(N2CCN(C(N)=[NH2+])C[C@@H]2C)c1 ZINC000102909279 387358452 /nfs/dbraw/zinc/35/84/52/387358452.db2.gz RJHJYMQCEDVNKF-NSHDSACASA-N 1 0 232.331 1.399 50 0 BDAARO CCSCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000088545096 387366370 /nfs/dbraw/zinc/36/63/70/387366370.db2.gz IPDLPUZQTVVQNY-UHFFFAOYSA-N 1 0 230.377 1.517 50 0 BDAARO Cn1nccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121257641 387319556 /nfs/dbraw/zinc/31/95/56/387319556.db2.gz FCWHYMOAQSKIIW-LLVKDONJSA-N 1 0 245.330 1.523 50 0 BDAARO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)C(N)=O ZINC000191358973 387383493 /nfs/dbraw/zinc/38/34/93/387383493.db2.gz WLXOWWFKSBCFJX-IACUBPJLSA-N 1 0 246.354 1.861 50 0 BDAARO c1ccc(OCCSC2=[NH+]CCN2)cc1 ZINC000002477885 387533087 /nfs/dbraw/zinc/53/30/87/387533087.db2.gz NWXJSCPYTQCGBK-UHFFFAOYSA-N 1 0 222.313 1.758 50 0 BDAARO CC(C)=CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132887087 387477597 /nfs/dbraw/zinc/47/75/97/387477597.db2.gz SZWXCXRGHKVNRZ-MNOVXSKESA-N 1 0 208.305 1.306 50 0 BDAARO [NH3+]CCOC(=O)Nc1nc2ccccc2[nH]1 ZINC000006231130 387621860 /nfs/dbraw/zinc/62/18/60/387621860.db2.gz FSFVFDSQYXRQBH-UHFFFAOYSA-N 1 0 220.232 1.070 50 0 BDAARO CC[C@H](C[NH3+])NC(=O)OCc1ccccc1 ZINC000039952287 387847211 /nfs/dbraw/zinc/84/72/11/387847211.db2.gz CWOTXZZMEPSBPP-LLVKDONJSA-N 1 0 222.288 1.650 50 0 BDAARO COC[C@H](O)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000070558938 387858225 /nfs/dbraw/zinc/85/82/25/387858225.db2.gz BKTGPACBUSIXSN-MWLCHTKSSA-N 1 0 227.304 1.554 50 0 BDAARO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000070558937 387858749 /nfs/dbraw/zinc/85/87/49/387858749.db2.gz BKTGPACBUSIXSN-ONGXEEELSA-N 1 0 227.304 1.554 50 0 BDAARO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCC2)no1 ZINC000042506545 177791329 /nfs/dbraw/zinc/79/13/29/177791329.db2.gz QJYZVGRYNLPLGX-VIFPVBQESA-N 1 0 237.303 1.197 50 0 BDAARO Cc1cc(C)c(C[NH2+]C[C@@H](O)CO)c(C)c1 ZINC000085246034 388085523 /nfs/dbraw/zinc/08/55/23/388085523.db2.gz WFQHGJXJGMJGEM-GFCCVEGCSA-N 1 0 223.316 1.055 50 0 BDAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C)c2C)C1 ZINC000195246053 388150730 /nfs/dbraw/zinc/15/07/30/388150730.db2.gz JELAMTOVWNNVJB-GFCCVEGCSA-N 1 0 249.358 1.548 50 0 BDAARO c1cncc(NCC[NH2+][C@@H]2CCSC2)c1 ZINC000065404824 388295333 /nfs/dbraw/zinc/29/53/33/388295333.db2.gz PALZLRKGFMTXJS-LLVKDONJSA-N 1 0 223.345 1.589 50 0 BDAARO COC[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000002655093 388347277 /nfs/dbraw/zinc/34/72/77/388347277.db2.gz NWHJPIYBLRPBGE-ZYHUDNBSSA-N 1 0 209.289 1.345 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000133229885 388380989 /nfs/dbraw/zinc/38/09/89/388380989.db2.gz HVHRZAVVEKFOOA-SBDDDAINSA-N 1 0 245.326 1.305 50 0 BDAARO C[NH+](C)CCNc1nc2ccccc2[nH]1 ZINC000004150360 388392050 /nfs/dbraw/zinc/39/20/50/388392050.db2.gz WOYNSNHVPQOUTC-UHFFFAOYSA-N 1 0 204.277 1.536 50 0 BDAARO CCCCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000357763332 388394619 /nfs/dbraw/zinc/39/46/19/388394619.db2.gz RBKGPSXOQYSEMV-LLVKDONJSA-N 1 0 239.363 1.736 50 0 BDAARO CC1(C)C[C@]2(CCCN(CC[NH3+])C2)CCO1 ZINC000038193804 388401918 /nfs/dbraw/zinc/40/19/18/388401918.db2.gz YIECCTMCXLWQKT-ZDUSSCGKSA-N 1 0 226.364 1.616 50 0 biogenic BDAARO CC(C)[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC000041926573 388440957 /nfs/dbraw/zinc/44/09/57/388440957.db2.gz VMFXVGOYNWMJKV-QWRGUYRKSA-N 1 0 212.337 1.489 50 0 BDAARO CC(C)(C)n1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000071754119 388445515 /nfs/dbraw/zinc/44/55/15/388445515.db2.gz PXFWDBQGVAZQOW-VXGBXAGGSA-N 1 0 249.358 1.853 50 0 BDAARO Cc1cc(C)cc(C[NH+]2CCN(CCO)CC2)c1 ZINC000040465774 388416295 /nfs/dbraw/zinc/41/62/95/388416295.db2.gz JEODXZNVDINSFE-UHFFFAOYSA-N 1 0 248.370 1.413 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]CCOC(C)C)c1 ZINC000069569655 388420659 /nfs/dbraw/zinc/42/06/59/388420659.db2.gz CFPSWQDTCICVDU-GFCCVEGCSA-N 1 0 225.336 1.595 50 0 BDAARO CC(C)CC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069620946 388422103 /nfs/dbraw/zinc/42/21/03/388422103.db2.gz NILHHDSTNKDNEY-GFCCVEGCSA-N 1 0 222.336 1.789 50 0 BDAARO Cc1ccc(CNC[C@H](O)C[NH+](C)C)c(C)c1 ZINC000069708324 388425047 /nfs/dbraw/zinc/42/50/47/388425047.db2.gz QBZVFOUPBRKSIB-AWEZNQCLSA-N 1 0 236.359 1.316 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000069725031 388425346 /nfs/dbraw/zinc/42/53/46/388425346.db2.gz CCJYTKVPKZHXNW-SFYZADRCSA-N 1 0 238.253 1.525 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000069725022 388425378 /nfs/dbraw/zinc/42/53/78/388425378.db2.gz CCJYTKVPKZHXNW-JGVFFNPUSA-N 1 0 238.253 1.525 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000070172938 388433824 /nfs/dbraw/zinc/43/38/24/388433824.db2.gz SXDZAKUAADSFSB-WDEREUQCSA-N 1 0 235.331 1.225 50 0 BDAARO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)nc1 ZINC000253370500 388589335 /nfs/dbraw/zinc/58/93/35/388589335.db2.gz RPEBZGZNPBHAER-QWHCGFSZSA-N 1 0 234.343 1.983 50 0 BDAARO CC(=O)NC1C[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)C1 ZINC000253430296 388592805 /nfs/dbraw/zinc/59/28/05/388592805.db2.gz KMAVLBBZELBFIT-SMDDNHRTSA-N 1 0 236.359 1.799 50 0 BDAARO CCC[C@H]1CCC[N@H+](C[C@@H](O)COCC)C1 ZINC000107517214 388602971 /nfs/dbraw/zinc/60/29/71/388602971.db2.gz XDIKIVYATUGJNT-QWHCGFSZSA-N 1 0 229.364 1.896 50 0 BDAARO C[NH2+]C[C@H]1CCCN1c1noc(C(C)(C)C)n1 ZINC000521218299 388565731 /nfs/dbraw/zinc/56/57/31/388565731.db2.gz VXSGLRKUTDXNMQ-SECBINFHSA-N 1 0 238.335 1.555 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]C[C@@H](C)c1ccccc1 ZINC000078739033 388739373 /nfs/dbraw/zinc/73/93/73/388739373.db2.gz KLPTWIHQIKNYJX-GHMZBOCLSA-N 1 0 220.316 1.644 50 0 BDAARO CCC1(CC)[C@@H]([NH2+][C@@H](C)CO)C[C@@H]1OC ZINC000095987963 388798419 /nfs/dbraw/zinc/79/84/19/388798419.db2.gz LKRFGQWJECYRMS-DCAQKATOSA-N 1 0 215.337 1.551 50 0 BDAARO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccnc1 ZINC000095427027 388769520 /nfs/dbraw/zinc/76/95/20/388769520.db2.gz FQCKFMWFBFXXDF-VIFPVBQESA-N 1 0 216.288 1.964 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000126221609 388822897 /nfs/dbraw/zinc/82/28/97/388822897.db2.gz XPQVLDFQGLIDLT-WDEREUQCSA-N 1 0 241.306 1.826 50 0 BDAARO CCc1cc(C(=O)NCC[NH+](CC)CC)[nH]n1 ZINC000097288077 388835274 /nfs/dbraw/zinc/83/52/74/388835274.db2.gz YQDSUCONEHPDFI-UHFFFAOYSA-N 1 0 238.335 1.044 50 0 BDAARO C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000000351258 132313459 /nfs/dbraw/zinc/31/34/59/132313459.db2.gz BOIFDXWRPSEUMD-UHFFFAOYSA-N 1 0 245.248 1.852 50 0 BDAARO Cc1cccc(N2CC[NH+](CCO)CC2)c1 ZINC000031666739 132334538 /nfs/dbraw/zinc/33/45/38/132334538.db2.gz LXPCVUJVXYMQSY-UHFFFAOYSA-N 1 0 220.316 1.109 50 0 BDAARO Cc1ccc(F)c(N2CCC[C@@H]([NH3+])C2=O)c1 ZINC000068575116 132390264 /nfs/dbraw/zinc/39/02/64/132390264.db2.gz OKSWAKJMROVEPW-SNVBAGLBSA-N 1 0 222.263 1.588 50 0 BDAARO [NH3+]C1CCN(c2nccnc2Cl)CC1 ZINC000073737279 132233000 /nfs/dbraw/zinc/23/30/00/132233000.db2.gz GOOLAGXVIILYII-UHFFFAOYSA-N 1 0 212.684 1.058 50 0 BDAARO COC[C@@H]1CN(c2cc[nH+]cc2C)CCO1 ZINC000192623732 132240506 /nfs/dbraw/zinc/24/05/06/132240506.db2.gz OAKSITFKFRYUGY-NSHDSACASA-N 1 0 222.288 1.242 50 0 BDAARO Cc1ccc(C)c(N2CCN(C(N)=[NH2+])CC2)c1 ZINC000008410779 132319005 /nfs/dbraw/zinc/31/90/05/132319005.db2.gz KEIYVAHWEKWRMG-UHFFFAOYSA-N 1 0 232.331 1.319 50 0 BDAARO Cc1cccc(N2CCN(CC[NH3+])CC2)c1C ZINC000019362990 132324596 /nfs/dbraw/zinc/32/45/96/132324596.db2.gz XBLQGJHCMWDBPU-UHFFFAOYSA-N 1 0 233.359 1.384 50 0 BDAARO C[C@H]1CCc2ccccc2N1C(=O)CC[NH3+] ZINC000019274684 132324630 /nfs/dbraw/zinc/32/46/30/132324630.db2.gz NIEHPRDGJBVQJD-JTQLQIEISA-N 1 0 218.300 1.703 50 0 BDAARO C[C@H]([NH3+])c1cc(F)ccc1N1CCOCC1 ZINC000019871973 132328185 /nfs/dbraw/zinc/32/81/85/132328185.db2.gz VJANOVQGPHPKAQ-VIFPVBQESA-N 1 0 224.279 1.682 50 0 BDAARO Cc1cccc(N2CCN(CC(C)(C)[NH3+])CC2)c1 ZINC000040925789 132348957 /nfs/dbraw/zinc/34/89/57/132348957.db2.gz LOCYDWUFHBQZMK-UHFFFAOYSA-N 1 0 247.386 1.854 50 0 BDAARO CC[C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000041999750 132350510 /nfs/dbraw/zinc/35/05/10/132350510.db2.gz CBMVNMXYPGOGIY-GFCCVEGCSA-N 1 0 247.342 1.776 50 0 BDAARO Cc1cccc(N2CC[NH+](CCO)CC2)c1C ZINC000057510601 132365971 /nfs/dbraw/zinc/36/59/71/132365971.db2.gz QYOLXSNEMGYJIM-UHFFFAOYSA-N 1 0 234.343 1.418 50 0 BDAARO [NH3+][C@@H]1CCCN(c2nccnc2Cl)C1 ZINC000306920693 132389902 /nfs/dbraw/zinc/38/99/02/132389902.db2.gz NLGRMOBVOOYGIS-SSDOTTSWSA-N 1 0 212.684 1.058 50 0 BDAARO COC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000070928245 132390839 /nfs/dbraw/zinc/39/08/39/132390839.db2.gz GVZVOTYWCGODPF-UHFFFAOYSA-N 1 0 249.314 1.654 50 0 BDAARO CC(C)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000069872835 132391390 /nfs/dbraw/zinc/39/13/90/132391390.db2.gz QCUUXDABHCOUSZ-LBPRGKRZSA-N 1 0 234.347 1.691 50 0 BDAARO c1cnc(N2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000071747862 132395888 /nfs/dbraw/zinc/39/58/88/132395888.db2.gz VIRMRWMUAREPGO-GFCCVEGCSA-N 1 0 232.331 1.303 50 0 BDAARO Cc1nc[nH]c1C[N@@H+](C)CCCc1cnn(C)c1 ZINC000067851416 134398222 /nfs/dbraw/zinc/39/82/22/134398222.db2.gz FKRIMBKMCKBRJP-UHFFFAOYSA-N 1 0 247.346 1.516 50 0 BDAARO COC[C@@]1(C(=O)Nc2ccsc2)CC[NH2+]C1 ZINC000261587953 135228342 /nfs/dbraw/zinc/22/83/42/135228342.db2.gz RZXBBCGRQSLRLZ-LLVKDONJSA-N 1 0 240.328 1.313 50 0 BDAARO COC(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000020362773 397900101 /nfs/dbraw/zinc/90/01/01/397900101.db2.gz KXSDGSFOMLIQPR-UHFFFAOYSA-N 1 0 225.313 1.669 50 0 BDAARO C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000082912765 398037147 /nfs/dbraw/zinc/03/71/47/398037147.db2.gz BMEVBYJXKNWWJF-UHFFFAOYSA-N 1 0 201.172 1.728 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]([NH3+])C1CC1 ZINC000070038110 398123817 /nfs/dbraw/zinc/12/38/17/398123817.db2.gz BZVMTGHIUOJVJE-QMMMGPOBSA-N 1 0 200.282 1.248 50 0 BDAARO O=C1CCCCCN1CSC1=[NH+]CCN1 ZINC000026442236 398127477 /nfs/dbraw/zinc/12/74/77/398127477.db2.gz HBTNZKIPBWMEAK-UHFFFAOYSA-N 1 0 227.333 1.039 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1 ZINC000000000469 167111527 /nfs/dbraw/zinc/11/15/27/167111527.db2.gz LMOINURANNBYCM-LLVKDONJSA-N 1 0 211.261 1.129 50 0 fda BDAARO CC(C)S(=O)(=O)CC[C@H]1CCCC[NH2+]1 ZINC000020183709 167318676 /nfs/dbraw/zinc/31/86/76/167318676.db2.gz 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1.863 50 0 BDAARO CC[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000003287172 170109181 /nfs/dbraw/zinc/10/91/81/170109181.db2.gz WNGAPHVIFYWRPD-UHFFFAOYSA-N 1 0 214.215 1.513 50 0 BDAARO CC[NH2+]Cc1ccc(OCCOC)cc1 ZINC000019738116 170127335 /nfs/dbraw/zinc/12/73/35/170127335.db2.gz BADKLZNPHWWBAT-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO CC[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000049647783 170152941 /nfs/dbraw/zinc/15/29/41/170152941.db2.gz ZYMYDOGLNPBVHI-LLVKDONJSA-N 1 0 204.273 1.401 50 0 BDAARO CCOC(=O)CCCC[N@@H+]1CCC[C@@H](OC)C1 ZINC000095399803 170199582 /nfs/dbraw/zinc/19/95/82/170199582.db2.gz XSPGIACTGQXVSE-GFCCVEGCSA-N 1 0 243.347 1.831 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1ccccc1OC ZINC000036984849 170209224 /nfs/dbraw/zinc/20/92/24/170209224.db2.gz BXOAXAINJLHIFR-UHFFFAOYSA-N 1 0 237.299 1.738 50 0 BDAARO CCOC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069452641 170219299 /nfs/dbraw/zinc/21/92/99/170219299.db2.gz KCRNFKOYUQEYNK-GFCCVEGCSA-N 1 0 240.347 1.110 50 0 BDAARO CCOC(=O)CN1CCc2ccccc2C1 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170279263 /nfs/dbraw/zinc/27/92/63/170279263.db2.gz KKHJUVUUBQTBMI-VHSXEESVSA-N 1 0 211.305 1.812 50 0 BDAARO CCOC(=O)c1c(N)sc2c1CC[N@H+](C)C2 ZINC000000066623 170289052 /nfs/dbraw/zinc/28/90/52/170289052.db2.gz BLLSMPCWRPCBDL-UHFFFAOYSA-N 1 0 240.328 1.495 50 0 BDAARO CCOC(=O)c1ccc(C)c(NC(N)=[NH2+])c1 ZINC000035569906 170295848 /nfs/dbraw/zinc/29/58/48/170295848.db2.gz OIYZSSUFKOQNFX-UHFFFAOYSA-N 1 0 221.260 1.477 50 0 BDAARO CCOC(=O)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000042775515 170299774 /nfs/dbraw/zinc/29/97/74/170299774.db2.gz AGBPHKZAELDPIP-NSHDSACASA-N 1 0 249.310 1.994 50 0 BDAARO CCOC(C[NH+]1CCC(OC)CC1)OCC ZINC000082164354 170315064 /nfs/dbraw/zinc/31/50/64/170315064.db2.gz BGBDKYFQQHSEHX-UHFFFAOYSA-N 1 0 231.336 1.496 50 0 BDAARO CCOCCCNC1=[NH+][C@H](CC)CS1 ZINC000003885640 170380565 /nfs/dbraw/zinc/38/05/65/170380565.db2.gz SKWVJJJQXOOGAN-SECBINFHSA-N 1 0 216.350 1.884 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000069586751 170398040 /nfs/dbraw/zinc/39/80/40/170398040.db2.gz VGCSLPVCHNPVJF-LLVKDONJSA-N 1 0 229.320 1.250 50 0 BDAARO CCOCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000097138167 170398445 /nfs/dbraw/zinc/39/84/45/170398445.db2.gz LSWBWZFIQKSZQP-UHFFFAOYSA-N 1 0 249.358 1.630 50 0 BDAARO CCOCC[NH2+][C@@H](C)[C@@H](C)n1cc(C)cn1 ZINC000071882257 170413158 /nfs/dbraw/zinc/41/31/58/170413158.db2.gz LKXRYABZBJMOCI-NWDGAFQWSA-N 1 0 225.336 1.767 50 0 BDAARO O=C(C[NH2+]C1CC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000225505879 411582100 /nfs/dbraw/zinc/58/21/00/411582100.db2.gz SXLIPEXZABKXKF-GFCCVEGCSA-N 1 0 248.330 1.215 50 0 BDAARO Cc1cc(NN)[nH+]c(Nc2ccccc2C)n1 ZINC000044845937 411655806 /nfs/dbraw/zinc/65/58/06/411655806.db2.gz COFZSZPFMBLPJP-UHFFFAOYSA-N 1 0 229.287 2.123 50 0 BDAARO C[NH+](C)Cc1ccc(-c2cc(=O)[nH]c(N)n2)cc1 ZINC000426389265 411848356 /nfs/dbraw/zinc/84/83/56/411848356.db2.gz NHFGRDUIQMDPQN-UHFFFAOYSA-N 1 0 244.298 1.493 50 0 BDAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000584885707 411860870 /nfs/dbraw/zinc/86/08/70/411860870.db2.gz CVRUVDMHKJOLIJ-MRVPVSSYSA-N 1 0 243.376 2.019 50 0 BDAARO C[N@@H+]1CCCN(c2cccc3[nH]nc(N)c32)CC1 ZINC000601013358 411892667 /nfs/dbraw/zinc/89/26/67/411892667.db2.gz AGILVGLQFZPYEV-UHFFFAOYSA-N 1 0 245.330 1.287 50 0 BDAARO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000070643917 171057519 /nfs/dbraw/zinc/05/75/19/171057519.db2.gz RAFJKSXQFOUAIH-OUAUKWLOSA-N 1 0 210.321 1.433 50 0 BDAARO CC[C@@H]1C[NH2+]Cc2cc(OC)ccc2O1 ZINC000299778914 171101799 /nfs/dbraw/zinc/10/17/99/171101799.db2.gz IPSPIGDCJGDPRF-SNVBAGLBSA-N 1 0 207.273 1.956 50 0 BDAARO CC[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000251940533 171248335 /nfs/dbraw/zinc/24/83/35/171248335.db2.gz SKFDEUREFZEDAD-HBNTYKKESA-N 1 0 212.337 1.618 50 0 BDAARO CC[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CCOC1 ZINC000095421875 171540758 /nfs/dbraw/zinc/54/07/58/171540758.db2.gz WECVSHNSFICIFE-BZPMIXESSA-N 1 0 238.375 1.628 50 0 BDAARO CCC[C@H](CNc1nccc(NC)n1)[NH+](C)C ZINC000534648210 412365327 /nfs/dbraw/zinc/36/53/27/412365327.db2.gz PQRAQSNDCXZBRV-SNVBAGLBSA-N 1 0 237.351 1.661 50 0 BDAARO CCc1ccc(C(=O)N2CCC([NH+](C)C)CC2)[nH]1 ZINC000218922502 171784498 /nfs/dbraw/zinc/78/44/98/171784498.db2.gz QXPSFCKBDXBXAG-UHFFFAOYSA-N 1 0 249.358 1.743 50 0 BDAARO CCc1cnccc1CNC1=[NH+]CCCN1 ZINC000253425446 171923304 /nfs/dbraw/zinc/92/33/04/171923304.db2.gz CBHCMMLQQSJVTR-UHFFFAOYSA-N 1 0 218.304 1.083 50 0 BDAARO CCc1noc(C)c1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000125478515 172082018 /nfs/dbraw/zinc/08/20/18/172082018.db2.gz GGRSCHSGZFXVQP-VIFPVBQESA-N 1 0 237.303 1.626 50 0 BDAARO CCc1oc(C(=O)OC)cc1CSC(N)=[NH2+] ZINC000004548978 172111552 /nfs/dbraw/zinc/11/15/52/172111552.db2.gz QAFPYWPSOLEGOC-UHFFFAOYSA-N 1 0 242.300 1.755 50 0 BDAARO CCn1ccnc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171649187 172220984 /nfs/dbraw/zinc/22/09/84/172220984.db2.gz GNALHFPBKHYHJS-GFCCVEGCSA-N 1 0 234.347 1.183 50 0 BDAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000072154657 172535604 /nfs/dbraw/zinc/53/56/04/172535604.db2.gz BDIKSZMDQGLIBG-NSHDSACASA-N 1 0 235.331 1.571 50 0 BDAARO CN(C)c1ccc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000252495793 172554294 /nfs/dbraw/zinc/55/42/94/172554294.db2.gz PAJIQEFTVGFOHB-JTQLQIEISA-N 1 0 220.320 1.085 50 0 BDAARO CN(C)c1nccc(C2CC[NH2+]CC2)n1 ZINC000019686314 172581164 /nfs/dbraw/zinc/58/11/64/172581164.db2.gz WGIGOYJVSXQWDW-UHFFFAOYSA-N 1 0 206.293 1.010 50 0 BDAARO CN(CCCC[NH3+])C(=O)OC(C)(C)C ZINC000002585672 172695724 /nfs/dbraw/zinc/69/57/24/172695724.db2.gz CIZQQISFIQZTDF-UHFFFAOYSA-N 1 0 202.298 1.592 50 0 BDAARO CN(C[C@@H]1CCC[NH2+]C1)C(=O)OC(C)(C)C ZINC000016124119 172810016 /nfs/dbraw/zinc/81/00/16/172810016.db2.gz HQZPRFQKDGVCLB-SNVBAGLBSA-N 1 0 228.336 1.853 50 0 BDAARO CN1C(=O)C[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000062208828 172966140 /nfs/dbraw/zinc/96/61/40/172966140.db2.gz CXQPTCSGBZTHHU-ONGXEEELSA-N 1 0 224.691 1.571 50 0 BDAARO C[NH+]1CCC(C(=O)NC2CCCC2)CC1 ZINC000072408921 172982456 /nfs/dbraw/zinc/98/24/56/172982456.db2.gz DFENARNZPQVPQO-UHFFFAOYSA-N 1 0 210.321 1.387 50 0 BDAARO CN1CC[N@H+](C)C[C@]12CCOC(C)(C)C2 ZINC000022593469 173076937 /nfs/dbraw/zinc/07/69/37/173076937.db2.gz UBTXCRKAMZOLQO-GFCCVEGCSA-N 1 0 212.337 1.191 50 0 BDAARO CN1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000019590028 173079835 /nfs/dbraw/zinc/07/98/35/173079835.db2.gz CRZCPGRJGKPAQX-UHFFFAOYSA-N 1 0 247.342 1.263 50 0 BDAARO C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000022364432 173090655 /nfs/dbraw/zinc/09/06/55/173090655.db2.gz LGHMVCCFTBCFAE-UHFFFAOYSA-N 1 0 230.315 1.310 50 0 BDAARO CN1CCO[C@@H]([C@@H]([NH3+])c2ccc(Cl)cc2)C1 ZINC000101639883 173102925 /nfs/dbraw/zinc/10/29/25/173102925.db2.gz RHYYQGWSIACSKC-NEPJUHHUSA-N 1 0 240.734 1.670 50 0 BDAARO CN1CCO[C@@H](C[NH2+]Cc2ccccc2F)C1 ZINC000105471665 173103646 /nfs/dbraw/zinc/10/36/46/173103646.db2.gz QNGPLXYDOXNQSN-LBPRGKRZSA-N 1 0 238.306 1.246 50 0 BDAARO CN1C[C@H](CC[N@H+]2CC=CCC2)OC1=O ZINC000071773738 173193118 /nfs/dbraw/zinc/19/31/18/173193118.db2.gz GVYIZSKRCRXNJW-JTQLQIEISA-N 1 0 210.277 1.089 50 0 BDAARO CN1C[C@H]([NH2+]C[C@H]2CC=CCC2)CC1=O ZINC000098020653 173195248 /nfs/dbraw/zinc/19/52/48/173195248.db2.gz JJYRASANHGWQGQ-WDEREUQCSA-N 1 0 208.305 1.163 50 0 BDAARO C[N@@H+]1C[C@H](C(=O)NC2CC2)[C@@H](c2ccccc2)C1 ZINC000226751653 173196498 /nfs/dbraw/zinc/19/64/98/173196498.db2.gz RBQPCKGABHTGPA-KGLIPLIRSA-N 1 0 244.338 1.610 50 0 BDAARO CNC(=O)CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000284797257 173252612 /nfs/dbraw/zinc/25/26/12/173252612.db2.gz PCPUJVNMPHGBEH-UHFFFAOYSA-N 1 0 244.338 1.912 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000242304959 173299662 /nfs/dbraw/zinc/29/96/62/173299662.db2.gz YTPMHXFZITVUMD-QJPTWQEYSA-N 1 0 222.332 1.599 50 0 BDAARO CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010338141 173310530 /nfs/dbraw/zinc/31/05/30/173310530.db2.gz BFZWUKTZYBRNSO-UHFFFAOYSA-N 1 0 218.300 1.642 50 0 BDAARO C[NH2+]C1CCN([C@H](C)c2ccccn2)CC1 ZINC000037483652 173324061 /nfs/dbraw/zinc/32/40/61/173324061.db2.gz VNPQVLANRVGRCY-LLVKDONJSA-N 1 0 219.332 1.826 50 0 BDAARO C[NH2+]CC(=O)N[C@H](C)c1ccccc1C ZINC000040419268 173333069 /nfs/dbraw/zinc/33/30/69/173333069.db2.gz JIXAYYACWQFWIJ-SNVBAGLBSA-N 1 0 206.289 1.392 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1cccc(F)c1F ZINC000148865112 173363876 /nfs/dbraw/zinc/36/38/76/173363876.db2.gz FWEKBHOJUISVDV-MRVPVSSYSA-N 1 0 242.269 1.550 50 0 BDAARO C[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000000227598 173365518 /nfs/dbraw/zinc/36/55/18/173365518.db2.gz PMNMWNIKKYAVDP-SECBINFHSA-N 1 0 229.707 1.608 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC000071144008 173369928 /nfs/dbraw/zinc/36/99/28/173369928.db2.gz YWKZDOOCCDQEQE-NSHDSACASA-N 1 0 248.326 1.377 50 0 BDAARO C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000011593872 173379017 /nfs/dbraw/zinc/37/90/17/173379017.db2.gz FWYMKDGOQBTQNE-SNVBAGLBSA-N 1 0 228.336 1.853 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000071143169 173380844 /nfs/dbraw/zinc/38/08/44/173380844.db2.gz OCRJONNCVRHYTF-CQSZACIVSA-N 1 0 246.354 1.605 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc(OC)c(F)c2)no1 ZINC000045894483 173394607 /nfs/dbraw/zinc/39/46/07/173394607.db2.gz NRXQRJYCWIWTBW-UHFFFAOYSA-N 1 0 237.234 1.604 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc(F)cc2)no1 ZINC000035121735 173395215 /nfs/dbraw/zinc/39/52/15/173395215.db2.gz AQNMPJBTGOAXEC-UHFFFAOYSA-N 1 0 207.208 1.595 50 0 BDAARO C[NH2+]Cc1nc2ccccc2n1CCOC ZINC000038478284 173396932 /nfs/dbraw/zinc/39/69/32/173396932.db2.gz YANFKLIUPRKVFO-UHFFFAOYSA-N 1 0 219.288 1.402 50 0 BDAARO COC(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043426023 173537670 /nfs/dbraw/zinc/53/76/70/173537670.db2.gz QLVOZDAMDXCEMB-NWDGAFQWSA-N 1 0 241.331 1.583 50 0 BDAARO COCCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000061021248 174228704 /nfs/dbraw/zinc/22/87/04/174228704.db2.gz ZPZRNUGCSCXNTP-UHFFFAOYSA-N 1 0 242.363 1.260 50 0 BDAARO COCC[NH2+]CCOc1cccc(OC)c1 ZINC000005720054 174333525 /nfs/dbraw/zinc/33/35/25/174333525.db2.gz ZBSSHUHGYHZDQJ-UHFFFAOYSA-N 1 0 225.288 1.310 50 0 BDAARO COCC[NH2+]Cc1c[nH]c2ccc(OC)cc12 ZINC000030714480 174334127 /nfs/dbraw/zinc/33/41/27/174334127.db2.gz ITPPSPYMRPRVTM-UHFFFAOYSA-N 1 0 234.299 1.913 50 0 biogenic BDAARO COCC[NH2+][C@@H](C)c1ccccc1OC ZINC000019881315 174338316 /nfs/dbraw/zinc/33/83/16/174338316.db2.gz IAYUWNGQTSOBMI-JTQLQIEISA-N 1 0 209.289 1.992 50 0 BDAARO COCCOCC[NH2+]Cc1ccccc1 ZINC000044424488 174357197 /nfs/dbraw/zinc/35/71/97/174357197.db2.gz ZDYHIUOGBVMZLL-UHFFFAOYSA-N 1 0 209.289 1.439 50 0 BDAARO COCCOc1ccc([C@H](C)[NH3+])cc1F ZINC000019873403 174368930 /nfs/dbraw/zinc/36/89/30/174368930.db2.gz PTNGWMKLVZKXSR-QMMMGPOBSA-N 1 0 213.252 1.871 50 0 BDAARO COCCOc1ccc([C@H](C)[NH3+])cc1OC ZINC000019281223 174369132 /nfs/dbraw/zinc/36/91/32/174369132.db2.gz HHUKOJYUKSTZBZ-VIFPVBQESA-N 1 0 225.288 1.740 50 0 BDAARO COc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000036172022 175065288 /nfs/dbraw/zinc/06/52/88/175065288.db2.gz INMKQWNQGRTRHE-SNVBAGLBSA-N 1 0 249.310 1.886 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000004988170 175099910 /nfs/dbraw/zinc/09/99/10/175099910.db2.gz FGUPSRUECBFZEN-LBPRGKRZSA-N 1 0 248.326 1.393 50 0 BDAARO COc1ccc([C@@H](N)C[NH+]2CCCC2)cc1 ZINC000019254946 175179839 /nfs/dbraw/zinc/17/98/39/175179839.db2.gz PCUWBOCJLTYKKA-ZDUSSCGKSA-N 1 0 220.316 1.791 50 0 BDAARO COc1ccc([C@@H]([NH3+])CCO)cc1OC ZINC000006247544 175179922 /nfs/dbraw/zinc/17/99/22/175179922.db2.gz LIVKGYIUNICCIZ-VIFPVBQESA-N 1 0 211.261 1.086 50 0 BDAARO COc1cccc(-c2cc(C[NH3+])no2)c1 ZINC000020270370 175233380 /nfs/dbraw/zinc/23/33/80/175233380.db2.gz KLGTYFNPHMEIJY-UHFFFAOYSA-N 1 0 204.229 1.809 50 0 BDAARO COc1cccc(CN(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000225435663 175255570 /nfs/dbraw/zinc/25/55/70/175255570.db2.gz WFUJFRCLVLKVQU-GFCCVEGCSA-N 1 0 249.358 1.474 50 0 BDAARO COc1cccc(CN2CCC([NH3+])CC2)c1 ZINC000011729469 175257793 /nfs/dbraw/zinc/25/77/93/175257793.db2.gz ZSNTXKRANYMRKW-UHFFFAOYSA-N 1 0 220.316 1.618 50 0 BDAARO COc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1OC ZINC000095982444 175259379 /nfs/dbraw/zinc/25/93/79/175259379.db2.gz BSPYYCOHONEYPL-LLVKDONJSA-N 1 0 237.299 1.270 50 0 BDAARO COc1cccc(CO[C@@H]2CC[NH2+]C2)c1 ZINC000042782993 175270031 /nfs/dbraw/zinc/27/00/31/175270031.db2.gz QJUMOAJTJOCNAT-GFCCVEGCSA-N 1 0 207.273 1.574 50 0 BDAARO COc1ccccc1OCCC[NH2+]CCO ZINC000002899043 175340818 /nfs/dbraw/zinc/34/08/18/175340818.db2.gz AVJQMGIVRJYDMX-UHFFFAOYSA-N 1 0 225.288 1.046 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000158410910 175474923 /nfs/dbraw/zinc/47/49/23/175474923.db2.gz OHSLLOJTRULSBC-GHMZBOCLSA-N 1 0 244.404 1.763 50 0 BDAARO C[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000054345326 175706528 /nfs/dbraw/zinc/70/65/28/175706528.db2.gz LQTLXNWIMWXBNC-LURJTMIESA-N 1 0 225.317 1.165 50 0 BDAARO C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036872215 175819956 /nfs/dbraw/zinc/81/99/56/175819956.db2.gz DACBOSOPMUBTSC-SSDOTTSWSA-N 1 0 231.255 1.825 50 0 BDAARO C[C@@H](c1ccccc1)n1cnnc1CC[NH3+] ZINC000067908291 176023960 /nfs/dbraw/zinc/02/39/60/176023960.db2.gz SCKSRWJAHQJRTP-JTQLQIEISA-N 1 0 216.288 1.389 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000192391484 176051693 /nfs/dbraw/zinc/05/16/93/176051693.db2.gz OFMIVYPOMNICHY-UPJWGTAASA-N 1 0 240.391 1.731 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCOCCO ZINC000193146433 176052065 /nfs/dbraw/zinc/05/20/65/176052065.db2.gz RNHOWAPWAVDAKI-VXGBXAGGSA-N 1 0 229.364 1.800 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccco1 ZINC000014193866 176069331 /nfs/dbraw/zinc/06/93/31/176069331.db2.gz IIPICKOAUKZIDI-LLVKDONJSA-N 1 0 236.315 1.770 50 0 BDAARO C[C@@H]1CCCN(C(=O)C2CCCC2)[C@H]1C[NH3+] ZINC000069726119 176090907 /nfs/dbraw/zinc/09/09/07/176090907.db2.gz OFDJKRXKBJGAKI-PWSUYJOCSA-N 1 0 224.348 1.762 50 0 BDAARO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(C)(=O)=O)C1 ZINC000048908333 176096870 /nfs/dbraw/zinc/09/68/70/176096870.db2.gz SBGKKHDOZPQZOD-SNVBAGLBSA-N 1 0 248.392 1.046 50 0 BDAARO C[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000091311576 176156868 /nfs/dbraw/zinc/15/68/68/176156868.db2.gz LJNWJCNKYWCLFI-IJLUTSLNSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H]1CC[C@H](CCC(=O)N2CC[NH2+]C[C@H]2C)O1 ZINC000124872125 176222761 /nfs/dbraw/zinc/22/27/61/176222761.db2.gz CIHAPDDWBKDTFG-IJLUTSLNSA-N 1 0 240.347 1.154 50 0 BDAARO C[C@@H]1CC[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000084237589 176228535 /nfs/dbraw/zinc/22/85/35/176228535.db2.gz ZKBBQGSSDAJNKG-BDAKNGLRSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@@H]1C[N@H+](CCc2ccncc2)[C@H](C)CO1 ZINC000069490681 176293621 /nfs/dbraw/zinc/29/36/21/176293621.db2.gz FJNHWCPRAHWMHH-VXGBXAGGSA-N 1 0 220.316 1.733 50 0 BDAARO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000246352568 176316420 /nfs/dbraw/zinc/31/64/20/176316420.db2.gz FRYGAYBIZYRVJX-WZRBSPASSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000073657435 176373585 /nfs/dbraw/zinc/37/35/85/176373585.db2.gz NURXHODEVCLVNT-BDAKNGLRSA-N 1 0 214.309 1.652 50 0 BDAARO C[C@@](O)(C[NH3+])c1ccccc1Br ZINC000055032547 176516657 /nfs/dbraw/zinc/51/66/57/176516657.db2.gz TWPDFEVARUDLQD-SECBINFHSA-N 1 0 230.105 1.615 50 0 BDAARO C[C@H]([NH3+])CCCNC(=O)OC(C)(C)C ZINC000039091353 176759056 /nfs/dbraw/zinc/75/90/56/176759056.db2.gz ZKHKPODEOGTTJH-QMMMGPOBSA-N 1 0 202.298 1.639 50 0 BDAARO C[C@H]([NH2+]CC(C)(C)O)[C@H](C)n1cccn1 ZINC000069493313 176834577 /nfs/dbraw/zinc/83/45/77/176834577.db2.gz SFAXRQFPSLQWQQ-UWVGGRQHSA-N 1 0 211.309 1.193 50 0 BDAARO C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)CC[NH3+] ZINC000225465636 177063507 /nfs/dbraw/zinc/06/35/07/177063507.db2.gz UFBQJLDWTLCMCT-UWVGGRQHSA-N 1 0 212.337 1.666 50 0 BDAARO C[C@H]1CCCCN1CC[NH2+]Cc1cncn1C ZINC000237514242 177074886 /nfs/dbraw/zinc/07/48/86/177074886.db2.gz FAYXTMBJPNHLGN-LBPRGKRZSA-N 1 0 236.363 1.384 50 0 BDAARO C[C@H]1CCCC[C@H]1OCCN1CCOCC1 ZINC000046037518 177089529 /nfs/dbraw/zinc/08/95/29/177089529.db2.gz WOLFTVOMQSFXSD-QWHCGFSZSA-N 1 0 227.348 1.914 50 0 BDAARO C[C@H]1CCC[N@H+](CCOC(C)(C)C)[C@@H]1CO ZINC000096487483 177099345 /nfs/dbraw/zinc/09/93/45/177099345.db2.gz KZYPVBJSAGRHSP-NWDGAFQWSA-N 1 0 229.364 1.894 50 0 BDAARO C[C@H]1CCC[C@H]([NH+]2CCN(C=O)CC2)C1 ZINC000000220377 177135001 /nfs/dbraw/zinc/13/50/01/177135001.db2.gz NZYWGSAPGWWQQO-RYUDHWBXSA-N 1 0 210.321 1.339 50 0 BDAARO C[C@H]1CCN(C(=O)C[NH3+])[C@H]1c1cccc(F)c1 ZINC000237604711 177147009 /nfs/dbraw/zinc/14/70/09/177147009.db2.gz RVHOEYMLUPTPRB-TVQRCGJNSA-N 1 0 236.290 1.694 50 0 BDAARO C[C@H]1CCN(C(=O)C[NH3+])[C@@H]1c1cccc(F)c1 ZINC000237604675 177147457 /nfs/dbraw/zinc/14/74/57/177147457.db2.gz RVHOEYMLUPTPRB-ZANVPECISA-N 1 0 236.290 1.694 50 0 BDAARO C[C@H]1CC[N@H+](Cc2ccc(F)cn2)[C@@H]1CO ZINC000276261361 177163442 /nfs/dbraw/zinc/16/34/42/177163442.db2.gz RAKSXAJDZOBGJS-JOYOIKCWSA-N 1 0 224.279 1.423 50 0 BDAARO C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000062036930 177202949 /nfs/dbraw/zinc/20/29/49/177202949.db2.gz NXXUMFZHNHWZLA-UWVGGRQHSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000035788806 177214860 /nfs/dbraw/zinc/21/48/60/177214860.db2.gz ARCCYCWHJBSGFD-QWRGUYRKSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@H]1C[N@H+](CCCCCF)CCN1CCO ZINC000225469431 177248659 /nfs/dbraw/zinc/24/86/59/177248659.db2.gz ZTIMNGDOWSAQBY-LBPRGKRZSA-N 1 0 232.343 1.125 50 0 BDAARO C[C@@H]1CN(C[C@@H]2CCCCC[NH2+]2)C[C@H](C)O1 ZINC000022917435 177258142 /nfs/dbraw/zinc/25/81/42/177258142.db2.gz ZEFSYICWVYTDPY-XQQFMLRXSA-N 1 0 226.364 1.628 50 0 BDAARO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000022130169 177285156 /nfs/dbraw/zinc/28/51/56/177285156.db2.gz LHSNRJGZDUFKQT-IUCAKERBSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@@H]1C[C@@](O)(c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000107993714 177286670 /nfs/dbraw/zinc/28/66/70/177286670.db2.gz QBPQEQQKSQOQBI-LOWVWBTDSA-N 1 0 205.301 1.892 50 0 BDAARO C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000237635064 177298083 /nfs/dbraw/zinc/29/80/83/177298083.db2.gz QHPQFGRSHBFWIM-WRWGMCAJSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000035782855 177301684 /nfs/dbraw/zinc/30/16/84/177301684.db2.gz OKWPTYCGPZCIIZ-WDEREUQCSA-N 1 0 248.326 1.395 50 0 BDAARO C[C@H]1C[C@H]([NH2+]Cc2ccnn2C)CCO1 ZINC000069891295 177370817 /nfs/dbraw/zinc/37/08/17/177370817.db2.gz LRWOUURLVRSKOV-VHSXEESVSA-N 1 0 209.293 1.077 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C\c2cccc(F)c2)CC[NH2+]1 ZINC000493782427 226253885 /nfs/dbraw/zinc/25/38/85/226253885.db2.gz FSOZLEKVLBNFQN-ISALQUGTSA-N 1 0 248.301 1.659 50 0 BDAARO CCc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000071143646 487863666 /nfs/dbraw/zinc/86/36/66/487863666.db2.gz RHYGAVATAYPIFV-ZDUSSCGKSA-N 1 0 246.354 1.931 50 0 BDAARO CC[NH+](CC)CCSc1ncnn1C ZINC000097377189 322987873 /nfs/dbraw/zinc/98/78/73/322987873.db2.gz HCLLTMQQSMOGAR-UHFFFAOYSA-N 1 0 214.338 1.249 50 0 BDAARO CC(=O)NC(C)(C)C[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000534588311 323154311 /nfs/dbraw/zinc/15/43/11/323154311.db2.gz HFJJAAICHXHCOW-SECBINFHSA-N 1 0 238.335 1.193 50 0 BDAARO CSCC(=O)NCC1(C[NH+]2CCCC2)CC1 ZINC000534640031 323157143 /nfs/dbraw/zinc/15/71/43/323157143.db2.gz MOGODXRHRHVSMX-UHFFFAOYSA-N 1 0 242.388 1.342 50 0 BDAARO OCC1(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000534658130 323157964 /nfs/dbraw/zinc/15/79/64/323157964.db2.gz AIGQQNYFAHBZMJ-CYBMUJFWSA-N 1 0 246.354 1.627 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@]2(C)C1 ZINC000536949789 323951971 /nfs/dbraw/zinc/95/19/71/323951971.db2.gz ZWRPWJNRJXPIGA-CABZTGNLSA-N 1 0 226.320 1.463 50 0 BDAARO Cc1nc(NC[C@H](O)C[NH+](C)C)ccc1Cl ZINC000670441141 487489009 /nfs/dbraw/zinc/48/90/09/487489009.db2.gz MDLFKUYUJOIALW-VIFPVBQESA-N 1 0 243.738 1.378 50 0 BDAARO C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000062188558 487496251 /nfs/dbraw/zinc/49/62/51/487496251.db2.gz BYIXBWZOSAKZHL-YPMHNXCESA-N 1 0 232.327 1.486 50 0 BDAARO C[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+] ZINC000062188592 487496757 /nfs/dbraw/zinc/49/67/57/487496757.db2.gz PQUCEBXIEKEPHQ-ZJUUUORDSA-N 1 0 206.289 1.081 50 0 BDAARO CC[N@@H+]1CCN(Cc2cnc(C)nc2)CC1(C)C ZINC000670447664 487497898 /nfs/dbraw/zinc/49/78/98/487497898.db2.gz PQIUHUDTPSPIOI-UHFFFAOYSA-N 1 0 248.374 1.701 50 0 BDAARO CC(C)c1cnc(N2CC[C@H](C[NH+](C)C)C2)nc1 ZINC000670455117 487508436 /nfs/dbraw/zinc/50/84/36/487508436.db2.gz ZKZRHHGEJQADCA-GFCCVEGCSA-N 1 0 248.374 1.988 50 0 BDAARO CCc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000046275450 487675462 /nfs/dbraw/zinc/67/54/62/487675462.db2.gz QCDZFLFYOFTMKO-LLVKDONJSA-N 1 0 234.343 1.929 50 0 BDAARO C[N@H+](CCc1ccccn1)Cc1cnccn1 ZINC000089346483 490210098 /nfs/dbraw/zinc/21/00/98/490210098.db2.gz ZEUSDXMALDHSCR-UHFFFAOYSA-N 1 0 228.299 1.546 50 0 BDAARO C[N@H+](CCn1cncn1)Cc1cccs1 ZINC000089346544 490210178 /nfs/dbraw/zinc/21/01/78/490210178.db2.gz JOKURHIMVHCVLU-UHFFFAOYSA-N 1 0 222.317 1.472 50 0 BDAARO Cc1ccnc(-c2n[nH]c([C@H](C)[NH3+])n2)c1 ZINC000082643901 491126274 /nfs/dbraw/zinc/12/62/74/491126274.db2.gz MAIJOWVKWQZREO-ZETCQYMHSA-N 1 0 203.249 1.195 50 0 BDAARO O=C(C[NH+]1CCCCC1)NC1CCCC1 ZINC000014193526 518198464 /nfs/dbraw/zinc/19/84/64/518198464.db2.gz RJRKSDCQYUOJRP-UHFFFAOYSA-N 1 0 210.321 1.531 50 0 BDAARO Brc1cccc2c1C[NH2+]CCO2 ZINC000156747428 518222878 /nfs/dbraw/zinc/22/28/78/518222878.db2.gz IHHFETLPHHHYGQ-UHFFFAOYSA-N 1 0 228.089 1.931 50 0 BDAARO CC(C)(C)[N@@H+]1CCc2nc(N)sc2C1 ZINC000220753898 518714994 /nfs/dbraw/zinc/71/49/94/518714994.db2.gz UCNDAQMYLWRQCM-UHFFFAOYSA-N 1 0 211.334 1.882 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1F ZINC000037507256 521104341 /nfs/dbraw/zinc/10/43/41/521104341.db2.gz OCZWNGUMMBGIJR-LBPRGKRZSA-N 1 0 238.306 1.912 50 0 BDAARO C[NH2+]C1CCN(C(=O)c2ccc(C)n2C)CC1 ZINC000179143028 521951202 /nfs/dbraw/zinc/95/12/02/521951202.db2.gz ANZNNBPZHODDRO-UHFFFAOYSA-N 1 0 235.331 1.158 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000239761243 524099116 /nfs/dbraw/zinc/09/91/16/524099116.db2.gz CJGYWRYITGLFND-VXGBXAGGSA-N 1 0 240.347 1.156 50 0 BDAARO C[C@@]1(c2ccccc2)CN(C(=O)CC[NH3+])CCO1 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ZINC000041999752 536109328 /nfs/dbraw/zinc/10/93/28/536109328.db2.gz CBMVNMXYPGOGIY-LBPRGKRZSA-N 1 0 247.342 1.776 50 0 BDAARO CN1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000251174702 536345050 /nfs/dbraw/zinc/34/50/50/536345050.db2.gz PRBOWUVBAUMWGV-JHJVBQTASA-N 1 0 238.375 1.484 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000894774743 583517881 /nfs/dbraw/zinc/51/78/81/583517881.db2.gz WNAZYNKTBYHFMX-APHKKCJPSA-N 1 0 220.320 1.952 50 0 BDAARO C=CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000791318236 585977089 /nfs/dbraw/zinc/97/70/89/585977089.db2.gz WEBLLSOKPHPROB-UHFFFAOYSA-N 1 0 230.311 1.347 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@H]([NH3+])C[C@@H]1C ZINC000757209066 586437724 /nfs/dbraw/zinc/43/77/24/586437724.db2.gz FOMAYWCETVDHGL-DRCTWCGVSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@H]([NH3+])CN1 ZINC000757209916 586438271 /nfs/dbraw/zinc/43/82/71/586438271.db2.gz GQLVZCFAUGOOJK-CABZTGNLSA-N 1 0 230.315 1.623 50 0 BDAARO Cc1ncsc1C[NH2+][C@@H](C)C(C)(C)CO ZINC000863982523 589333110 /nfs/dbraw/zinc/33/31/10/589333110.db2.gz RJXVBBULCOMPTO-VIFPVBQESA-N 1 0 228.361 1.948 50 0 BDAARO CC1(C)C([NH2+][C@H]2CCNC(=O)CC2)C1(C)C ZINC000877528846 590349310 /nfs/dbraw/zinc/34/93/10/590349310.db2.gz MGUFDBISFLPUNF-SECBINFHSA-N 1 0 224.348 1.679 50 0 BDAARO Cc1cnc(N2CCC([C@@H](C)[NH3+])CC2)nc1 ZINC000082475188 634423367 /nfs/dbraw/zinc/42/33/67/634423367.db2.gz ARHNHOSVRRLLPN-SNVBAGLBSA-N 1 0 220.320 1.349 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207819 631294297 /nfs/dbraw/zinc/29/42/97/631294297.db2.gz NFLYKUNPBFDIJV-MBJXGIAVSA-N 1 0 248.370 1.585 50 0 BDAARO COCC1(CNC(=O)[C@H]([NH3+])CC(C)C)CCC1 ZINC000310422625 634145017 /nfs/dbraw/zinc/14/50/17/634145017.db2.gz OKIQSFSECYUJMM-LLVKDONJSA-N 1 0 242.363 1.293 50 0 BDAARO CCOCC[NH2+][C@H]1CC[C@H](c2nccn2C)C1 ZINC000888098334 635376621 /nfs/dbraw/zinc/37/66/21/635376621.db2.gz IBQSLTXNFQXISQ-RYUDHWBXSA-N 1 0 237.347 1.682 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2[C@H]([NH3+])[C@H]2C1 ZINC000299803944 635891358 /nfs/dbraw/zinc/89/13/58/635891358.db2.gz LZMSKIPGFRYLES-FOVOQCRYSA-N 1 0 212.293 1.247 50 0 BDAARO CC[C@@H]1CCC[N@@H+]([C@H]2COCC[C@@H]2O)C1 ZINC000252370412 636788954 /nfs/dbraw/zinc/78/89/54/636788954.db2.gz XVICTMDAKGGWOA-WOPDTQHZSA-N 1 0 213.321 1.258 50 0 BDAARO COc1ccc2c(c1)C[C@H]([C@H](C)[NH3+])CO2 ZINC000675063920 640960290 /nfs/dbraw/zinc/96/02/90/640960290.db2.gz UARWTXFHULRJFZ-WPRPVWTQSA-N 1 0 207.273 1.594 50 0 BDAARO COc1ccc2c(c1)OC[C@H]([C@@H](C)[NH3+])C2 ZINC000675064372 640962751 /nfs/dbraw/zinc/96/27/51/640962751.db2.gz YTYHFNQQGAZMDP-PSASIEDQSA-N 1 0 207.273 1.594 50 0 BDAARO CC1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC000000757081 642803784 /nfs/dbraw/zinc/80/37/84/642803784.db2.gz JGYJCFDENKYLLH-UHFFFAOYSA-N 1 0 224.348 1.762 50 0 BDAARO CC(C)(CN1C[C@@H](O)[C@H](F)C1)[NH+]1CCCCC1 ZINC000952989370 644448629 /nfs/dbraw/zinc/44/86/29/644448629.db2.gz RLNBEYXYVONTNM-VXGBXAGGSA-N 1 0 244.354 1.266 50 0 BDAARO CCCN(CCc1ccccc1)C(=O)[C@H]1CC[NH2+]1 ZINC000952977704 644449067 /nfs/dbraw/zinc/44/90/67/644449067.db2.gz WCZNDXMGBAEGCH-CQSZACIVSA-N 1 0 246.354 1.830 50 0 BDAARO CC(C)[C@@H]([NH3+])C1(O)CC(CF)(CF)C1 ZINC000958527530 644804217 /nfs/dbraw/zinc/80/42/17/644804217.db2.gz BSCAPKZOQLDKMF-MRVPVSSYSA-N 1 0 207.264 1.420 50 0 BDAARO [NH3+][C@H](C1CCCC1)C1(O)CC(CF)(CF)C1 ZINC000958527686 644806615 /nfs/dbraw/zinc/80/66/15/644806615.db2.gz DPSWISQTIQTWJL-SNVBAGLBSA-N 1 0 233.302 1.954 50 0 BDAARO C[C@@H]1SCC[C@]1(O)[C@H]([NH3+])C(C)(C)C ZINC000958527990 644806665 /nfs/dbraw/zinc/80/66/65/644806665.db2.gz KZGMCXVPYMRNCI-QXFUBDJGSA-N 1 0 203.351 1.616 50 0 BDAARO [NH3+]C1CCN(Cc2ncoc2C2CCC2)CC1 ZINC000725325698 711664397 /nfs/dbraw/zinc/66/43/97/711664397.db2.gz OGBFDQCFQBPSSZ-UHFFFAOYSA-N 1 0 235.331 1.865 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@H]1CC[C@H](CN)[NH2+]C1 ZINC000757213854 712583092 /nfs/dbraw/zinc/58/30/92/712583092.db2.gz RHINYONIMYGJGS-CMPLNLGQSA-N 1 0 244.342 1.666 50 0 BDAARO NC(=O)[C@H]1CC[N@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000584908468 972033129 /nfs/dbraw/zinc/03/31/29/972033129.db2.gz QEZGWMUSHYHKNK-STQMWFEESA-N 1 0 244.338 1.524 50 0 BDAARO C[N@H+](CCCO)C[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000585116901 972147490 /nfs/dbraw/zinc/14/74/90/972147490.db2.gz LVKRXOHFVYBRHA-AGIUHOORSA-N 1 0 209.333 1.903 50 0 BDAARO Cc1ccnc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000585651443 959541625 /nfs/dbraw/zinc/54/16/25/959541625.db2.gz MYUKKKSSKUJPPK-FOSCPWQOSA-N 1 0 233.315 1.789 50 0 BDAARO C[C@]1(C[NH2+]C2CSCCSC2)CCCO1 ZINC000822306697 968512750 /nfs/dbraw/zinc/51/27/50/968512750.db2.gz FWCXWZVBMRXRIF-LLVKDONJSA-N 1 0 247.429 1.994 50 0 BDAARO C[N@@H+]1CC[C@@H](Oc2nccc(C(F)(F)F)n2)C1 ZINC000585651853 973920675 /nfs/dbraw/zinc/92/06/75/973920675.db2.gz QWOGOHQHNXJNBA-SSDOTTSWSA-N 1 0 247.220 1.578 50 0 BDAARO C[N@@H+]1CC[C@@H](Oc2cnc3ccccc3n2)C1 ZINC000585652777 973921366 /nfs/dbraw/zinc/92/13/66/973921366.db2.gz WCRKFJKWTQQSRQ-SNVBAGLBSA-N 1 0 229.283 1.713 50 0 BDAARO Cc1cc(C[NH+]2CCC(CF)CC2)ncn1 ZINC000295134158 177985678 /nfs/dbraw/zinc/98/56/78/177985678.db2.gz LJFULZIGMPVOHP-UHFFFAOYSA-N 1 0 223.295 1.967 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000072109529 398177718 /nfs/dbraw/zinc/17/77/18/398177718.db2.gz UHWAZPYFRBULMP-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1cc(CSc2nc(N)cc(N)[nH+]2)no1 ZINC000005229360 178053675 /nfs/dbraw/zinc/05/36/75/178053675.db2.gz MVIIFDNLFWMQHC-UHFFFAOYSA-N 1 0 237.288 1.230 50 0 BDAARO Cc1cc(N(C)CCCn2cccn2)nc(N)[nH+]1 ZINC000032541573 178099400 /nfs/dbraw/zinc/09/94/00/178099400.db2.gz XXPGBIFGUFQKSP-UHFFFAOYSA-N 1 0 246.318 1.090 50 0 BDAARO NC(=O)[C@H]1CCC[N@H+](CCC[C@@H]2CCCO2)C1 ZINC000170595431 361767852 /nfs/dbraw/zinc/76/78/52/361767852.db2.gz GGAWLCRPCILIPT-NWDGAFQWSA-N 1 0 240.347 1.143 50 0 BDAARO CC[C@@H](O)C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000097112614 398237195 /nfs/dbraw/zinc/23/71/95/398237195.db2.gz ALQNMMYHBBMSAF-DMDPSCGWSA-N 1 0 235.327 1.912 50 0 BDAARO Cc1cc2c(c(-c3cnccn3)c1)O[C@@H](C[NH3+])C2 ZINC000067966416 178282041 /nfs/dbraw/zinc/28/20/41/178282041.db2.gz HPQIXPMPSYCBSE-LLVKDONJSA-N 1 0 241.294 1.714 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CCc1cnn(C)c1 ZINC000097159624 398247335 /nfs/dbraw/zinc/24/73/35/398247335.db2.gz UFVLCQWOZPQVGW-UHFFFAOYSA-N 1 0 233.319 1.092 50 0 BDAARO CC(C)[C@H]([NH2+]CCC(N)=O)c1ccc(F)cc1 ZINC000032899655 259311380 /nfs/dbraw/zinc/31/13/80/259311380.db2.gz AGQWGNPUYHPYER-ZDUSSCGKSA-N 1 0 238.306 1.988 50 0 BDAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCO)cc1 ZINC000012540004 178331720 /nfs/dbraw/zinc/33/17/20/178331720.db2.gz MNRHFOZGWZMGHX-UHFFFAOYSA-N 1 0 245.326 1.857 50 0 BDAARO Cc1ccc(-n2nnnc2C2CC[NH2+]CC2)cc1 ZINC000091690439 178350406 /nfs/dbraw/zinc/35/04/06/178350406.db2.gz MPHDKTRHQXRXSL-UHFFFAOYSA-N 1 0 243.314 1.438 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1F ZINC000104313901 178391176 /nfs/dbraw/zinc/39/11/76/178391176.db2.gz ACJYHRUFCSEKEF-NSHDSACASA-N 1 0 236.290 1.697 50 0 BDAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)no1 ZINC000000128537 342676115 /nfs/dbraw/zinc/67/61/15/342676115.db2.gz ROZOMCUVXXYZSY-UHFFFAOYSA-N 1 0 237.303 1.199 50 0 BDAARO CSCC(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000584903499 342715552 /nfs/dbraw/zinc/71/55/52/342715552.db2.gz CEKYKDCPGMADJL-UHFFFAOYSA-N 1 0 242.388 1.294 50 0 BDAARO C[C@@H](O)[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1 ZINC000002572095 342725009 /nfs/dbraw/zinc/72/50/09/342725009.db2.gz UJFAUIPJOQKLMK-RNCFNFMXSA-N 1 0 244.294 1.486 50 0 in-vitro BDAARO Clc1ccc(N2CCC[NH2+]CC2)nc1 ZINC000003716235 342736973 /nfs/dbraw/zinc/73/69/73/342736973.db2.gz QROUAUKPBGCWPX-UHFFFAOYSA-N 1 0 211.696 1.535 50 0 BDAARO NNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000005543577 342765879 /nfs/dbraw/zinc/76/58/79/342765879.db2.gz LEMUGTJONNUQIK-UHFFFAOYSA-N 1 0 226.243 1.101 50 0 BDAARO CCOc1cc2c(cc1OC)[C@@H]([NH3+])CC2=O ZINC000005644924 342767842 /nfs/dbraw/zinc/76/78/42/342767842.db2.gz HHXDGXBHPQZZJI-VIFPVBQESA-N 1 0 221.256 1.680 50 0 BDAARO CCOc1ccc2[nH]c(NCCCO)[nH+]c2c1 ZINC000005924947 342771725 /nfs/dbraw/zinc/77/17/25/342771725.db2.gz RIKFMEMXWSZGGR-UHFFFAOYSA-N 1 0 235.287 1.756 50 0 aggregator BDAARO CC(=O)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000585148628 398291364 /nfs/dbraw/zinc/29/13/64/398291364.db2.gz VMPBBBHVVRXHOV-LBPRGKRZSA-N 1 0 204.273 1.493 50 0 BDAARO COc1cc(NC(=O)C[NH3+])c(OC)cc1Cl ZINC000011957244 342845111 /nfs/dbraw/zinc/84/51/11/342845111.db2.gz YVFJXMBDVDIEJE-UHFFFAOYSA-N 1 0 244.678 1.254 50 0 BDAARO Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000012480784 342852360 /nfs/dbraw/zinc/85/23/60/342852360.db2.gz URVMBDCFIVHKBG-UHFFFAOYSA-N 1 0 206.289 1.226 50 0 BDAARO Cc1n[nH]cc1C[NH2+]Cc1ccccc1CO ZINC000097160047 398318961 /nfs/dbraw/zinc/31/89/61/398318961.db2.gz WDZCSVJXDQYSBN-UHFFFAOYSA-N 1 0 231.299 1.500 50 0 BDAARO CC[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000019201116 342943371 /nfs/dbraw/zinc/94/33/71/342943371.db2.gz MQWATGWNAABUOY-CQSZACIVSA-N 1 0 233.359 1.324 50 0 BDAARO Clc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019370533 342947236 /nfs/dbraw/zinc/94/72/36/342947236.db2.gz GSJXJZOWHSTWOX-UHFFFAOYSA-N 1 0 210.708 1.745 50 0 BDAARO O=C(c1c(F)cccc1Cl)N1CC[NH2+]CC1 ZINC000019267897 342944910 /nfs/dbraw/zinc/94/49/10/342944910.db2.gz MMVJFVUMQOZFQB-UHFFFAOYSA-N 1 0 242.681 1.525 50 0 BDAARO C[NH+](C)CCOCCOc1ccccc1 ZINC000146214167 398344504 /nfs/dbraw/zinc/34/45/04/398344504.db2.gz FVDGYOYBDHILKZ-UHFFFAOYSA-N 1 0 209.289 1.644 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000019434274 342948619 /nfs/dbraw/zinc/94/86/19/342948619.db2.gz ZJYNYHVEDXMFEQ-CYBMUJFWSA-N 1 0 232.327 1.615 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000019438317 342949142 /nfs/dbraw/zinc/94/91/42/342949142.db2.gz IOJCWKJNLPDBKG-CQSZACIVSA-N 1 0 246.354 1.959 50 0 BDAARO CCOc1ccccc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000019405937 342947630 /nfs/dbraw/zinc/94/76/30/342947630.db2.gz UWECKRSFJSZBOQ-NSHDSACASA-N 1 0 248.326 1.567 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)nc1 ZINC000019814031 342958562 /nfs/dbraw/zinc/95/85/62/342958562.db2.gz KWGBTPRTFMXLOD-SNVBAGLBSA-N 1 0 219.288 1.328 50 0 BDAARO Fc1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000019943305 342963880 /nfs/dbraw/zinc/96/38/80/342963880.db2.gz KZCHYFUMQQWGJK-UHFFFAOYSA-N 1 0 208.280 1.621 50 0 BDAARO C[C@@H]1CCC[C@@H](OCC(=O)N2CC[NH2+]CC2)C1 ZINC000020516153 342989156 /nfs/dbraw/zinc/98/91/56/342989156.db2.gz UVCJRMFLEDPTDY-VXGBXAGGSA-N 1 0 240.347 1.014 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC2(C[NH2+]C2)C1 ZINC000021300693 343009416 /nfs/dbraw/zinc/00/94/16/343009416.db2.gz KQPABIHNWDOPIY-UHFFFAOYSA-N 1 0 226.320 1.607 50 0 BDAARO O=c1[nH]cnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000021987931 343032437 /nfs/dbraw/zinc/03/24/37/343032437.db2.gz NBOPLUXBZUJFHI-UHFFFAOYSA-N 1 0 241.294 1.328 50 0 BDAARO C[C@H]([NH3+])c1ccc(NS(C)(=O)=O)cc1 ZINC000022173780 343043172 /nfs/dbraw/zinc/04/31/72/343043172.db2.gz DCEDNQCQVNFNSU-ZETCQYMHSA-N 1 0 214.290 1.078 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1cccc(N)c1 ZINC000022223351 343044844 /nfs/dbraw/zinc/04/48/44/343044844.db2.gz NFGFDYHTOKACDO-UHFFFAOYSA-N 1 0 235.331 1.340 50 0 BDAARO N[C@H](c1cccnc1)[C@H]([NH3+])c1cccnc1 ZINC000022583202 343051587 /nfs/dbraw/zinc/05/15/87/343051587.db2.gz XPLJUOJBKASXBU-VXGBXAGGSA-N 1 0 214.272 1.176 50 0 BDAARO O=C(C1CC[NH2+]CC1)N1CCC(F)(F)CC1 ZINC000259555505 343135409 /nfs/dbraw/zinc/13/54/09/343135409.db2.gz RWPZDZKZSTXQHY-UHFFFAOYSA-N 1 0 232.274 1.244 50 0 BDAARO C[N@H+](CCC(N)=O)[C@@H]1CCc2ccccc21 ZINC000029339361 343138113 /nfs/dbraw/zinc/13/81/13/343138113.db2.gz FDVSKDLPRNNSSR-GFCCVEGCSA-N 1 0 218.300 1.481 50 0 BDAARO C[C@H](CCc1ccc(O)cc1)[NH+]1CCN(C)CC1 ZINC000023282685 343140694 /nfs/dbraw/zinc/14/06/94/343140694.db2.gz YPBVKSNDTQVWRI-CYBMUJFWSA-N 1 0 248.370 1.961 50 0 BDAARO C[C@@H](CCc1ccc(O)cc1)[NH+]1CCN(C)CC1 ZINC000023282683 343140909 /nfs/dbraw/zinc/14/09/09/343140909.db2.gz YPBVKSNDTQVWRI-ZDUSSCGKSA-N 1 0 248.370 1.961 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccsc1 ZINC000048354005 343250755 /nfs/dbraw/zinc/25/07/55/343250755.db2.gz UBWPHZDRIRHTKB-UHFFFAOYSA-N 1 0 226.345 1.820 50 0 BDAARO [NH3+][C@H]1CCN(c2ccccc2Br)C1 ZINC000033427047 343253907 /nfs/dbraw/zinc/25/39/07/343253907.db2.gz VULSMDXXURYDON-QMMMGPOBSA-N 1 0 241.132 1.987 50 0 BDAARO C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000023280180 343271467 /nfs/dbraw/zinc/27/14/67/343271467.db2.gz ZZEINKPTFWVMPI-MXWKQRLJSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H](O)C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000035287268 343292900 /nfs/dbraw/zinc/29/29/00/343292900.db2.gz XYMHSKOMOPLKLB-LLVKDONJSA-N 1 0 243.310 1.614 50 0 BDAARO Nc1ccc(F)cc1C[NH+]1CCC(O)CC1 ZINC000035308404 343293713 /nfs/dbraw/zinc/29/37/13/343293713.db2.gz JZDJWMNAMXJIFT-UHFFFAOYSA-N 1 0 224.279 1.365 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000037083388 343333069 /nfs/dbraw/zinc/33/30/69/343333069.db2.gz HRRKQAMRQIDINZ-MNOVXSKESA-N 1 0 212.337 1.761 50 0 BDAARO C[C@@H](C(N)=O)[N@H+](C)CCc1ccccc1 ZINC000048577529 343371230 /nfs/dbraw/zinc/37/12/30/343371230.db2.gz BQWAPJMKJXPEOZ-JTQLQIEISA-N 1 0 206.289 1.035 50 0 BDAARO [NH3+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000038124645 343371843 /nfs/dbraw/zinc/37/18/43/343371843.db2.gz ZHLDOQUAIYQCBT-ZETCQYMHSA-N 1 0 206.072 1.986 50 0 BDAARO O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000038478356 343375630 /nfs/dbraw/zinc/37/56/30/343375630.db2.gz WHBRACGDXAWFBY-CHWSQXEVSA-N 1 0 230.311 1.222 50 0 BDAARO O=C(OC[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000042769343 343451223 /nfs/dbraw/zinc/45/12/23/343451223.db2.gz RXAGCAYKSKXETD-SNVBAGLBSA-N 1 0 211.305 1.719 50 0 BDAARO O=C(OCC[C@H]1CCCC[NH2+]1)c1ccncc1 ZINC000042768319 343451229 /nfs/dbraw/zinc/45/12/29/343451229.db2.gz GUZALBXUKMEQBD-GFCCVEGCSA-N 1 0 234.299 1.771 50 0 BDAARO O=C(OCC[C@H]1CCC[NH2+]C1)c1ccncc1 ZINC000042768311 343451236 /nfs/dbraw/zinc/45/12/36/343451236.db2.gz QYBJNWXZQWOIPU-LLVKDONJSA-N 1 0 234.299 1.628 50 0 BDAARO O=C(OC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000042769450 343451286 /nfs/dbraw/zinc/45/12/86/343451286.db2.gz KZFFEOSTWHELTE-JTQLQIEISA-N 1 0 205.257 1.453 50 0 BDAARO CC(C)CC(=O)OCCC1CC[NH2+]CC1 ZINC000042769117 343451327 /nfs/dbraw/zinc/45/13/27/343451327.db2.gz AKBYGZNYJONGSG-UHFFFAOYSA-N 1 0 213.321 1.965 50 0 BDAARO O=C(OCCC1CC[NH2+]CC1)C1CCOCC1 ZINC000042768815 343451348 /nfs/dbraw/zinc/45/13/48/343451348.db2.gz ZTRKYVJUINNUSY-UHFFFAOYSA-N 1 0 241.331 1.346 50 0 BDAARO O=C1CC[NH2+]CCN1Cc1ccccc1F ZINC000042784341 343454241 /nfs/dbraw/zinc/45/42/41/343454241.db2.gz DVEASQRPUZYFGA-UHFFFAOYSA-N 1 0 222.263 1.148 50 0 BDAARO Cn1cnnc1SC[C@H]1CCCC[NH2+]1 ZINC000043495171 343474997 /nfs/dbraw/zinc/47/49/97/343474997.db2.gz YSJSLNOWYYJLNM-MRVPVSSYSA-N 1 0 212.322 1.049 50 0 BDAARO Cn1ccnc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495220 343475412 /nfs/dbraw/zinc/47/54/12/343475412.db2.gz GSBMPLSYKWZNSE-VIFPVBQESA-N 1 0 211.334 1.654 50 0 BDAARO CC(C)(C)NC(=O)N1CCC(C[NH3+])CC1 ZINC000044513093 343505176 /nfs/dbraw/zinc/50/51/76/343505176.db2.gz WMPMKHOPLWZZNJ-UHFFFAOYSA-N 1 0 213.325 1.165 50 0 BDAARO C=CC(=O)N(C)Cc1ncc(C)c(OC)c1C ZINC000585142147 344175380 /nfs/dbraw/zinc/17/53/80/344175380.db2.gz PSTHGPCSLLJLSN-UHFFFAOYSA-N 1 0 234.299 1.851 50 0 BDAARO CCn1cncc1CN1CC[C@H]1C(F)F ZINC000585135983 344148132 /nfs/dbraw/zinc/14/81/32/344148132.db2.gz LABBXACAZHPXSO-VIFPVBQESA-N 1 0 215.247 1.742 50 0 BDAARO CCC[C@H]1CN(c2cnccn2)CC[NH2+]1 ZINC000585139267 344151409 /nfs/dbraw/zinc/15/14/09/344151409.db2.gz PHBCRNKRTJXGOI-JTQLQIEISA-N 1 0 206.293 1.055 50 0 BDAARO C[NH+]1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000004750125 344157483 /nfs/dbraw/zinc/15/74/83/344157483.db2.gz AJQYCZVXDWODDC-UHFFFAOYSA-N 1 0 246.354 1.830 50 0 BDAARO CC[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2C)C1 ZINC000097160167 344162555 /nfs/dbraw/zinc/16/25/55/344162555.db2.gz GNLAAPMTRFBZII-LBPRGKRZSA-N 1 0 236.363 1.540 50 0 BDAARO C[C@H](Cn1cncn1)[NH2+]Cc1cccs1 ZINC000067504920 344230191 /nfs/dbraw/zinc/23/01/91/344230191.db2.gz KDSMDKYNKBPCIK-SECBINFHSA-N 1 0 222.317 1.518 50 0 BDAARO C[C@H]1C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000084237585 344367877 /nfs/dbraw/zinc/36/78/77/344367877.db2.gz PLLHWQMECGKRCY-IUCAKERBSA-N 1 0 214.309 1.591 50 0 BDAARO C[N@@H+]1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000135737280 344874923 /nfs/dbraw/zinc/87/49/23/344874923.db2.gz BIQKTEDWLSRZMP-UHFFFAOYSA-N 1 0 213.325 1.132 50 0 BDAARO Cc1c[nH+]c(C)n1CCNC(=O)C1CC=CC1 ZINC000409420944 344968567 /nfs/dbraw/zinc/96/85/67/344968567.db2.gz JYNDPHKLVLNXTO-UHFFFAOYSA-N 1 0 233.315 1.582 50 0 BDAARO Cc1csc(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000248047403 345023919 /nfs/dbraw/zinc/02/39/19/345023919.db2.gz PZQGAULJPYBCJX-SECBINFHSA-N 1 0 211.334 1.592 50 0 BDAARO Nc1cc(N)[nH+]c(SCc2ccccc2)n1 ZINC000000037758 345404761 /nfs/dbraw/zinc/40/47/61/345404761.db2.gz DAZJCNWHHPUGCC-UHFFFAOYSA-N 1 0 232.312 1.933 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)C(C)(C)C ZINC000252511755 345537178 /nfs/dbraw/zinc/53/71/78/345537178.db2.gz KIRVRSRUXYZZDN-AVGNSLFASA-N 1 0 240.391 1.874 50 0 BDAARO COCCOC[C@](C)([NH3+])c1ccccc1 ZINC000406011232 537906697 /nfs/dbraw/zinc/90/66/97/537906697.db2.gz VVRAOUWZHPNBOQ-LBPRGKRZSA-N 1 0 209.289 1.524 50 0 BDAARO CN(C)c1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000076819358 537936755 /nfs/dbraw/zinc/93/67/55/537936755.db2.gz ZUKZVKZPCNRFLL-UHFFFAOYSA-N 1 0 216.288 1.601 50 0 BDAARO Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2C)c1C ZINC000054370664 179010122 /nfs/dbraw/zinc/01/01/22/179010122.db2.gz DBJNMUQVHJCAIB-LLVKDONJSA-N 1 0 232.327 1.737 50 0 BDAARO Cc1cccc(C(=O)N2CCC[C@@H]([NH3+])C2)c1C ZINC000041028134 179008506 /nfs/dbraw/zinc/00/85/06/179008506.db2.gz WHCYOBMPMHFAFD-GFCCVEGCSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1cccc(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000004698869 179017199 /nfs/dbraw/zinc/01/71/99/179017199.db2.gz ALDZUVUHWMYTKA-GFCCVEGCSA-N 1 0 234.343 1.923 50 0 BDAARO Cc1cccc(CN2CC[NH2+]C[C@@H]2CCO)c1 ZINC000019368007 179079180 /nfs/dbraw/zinc/07/91/80/179079180.db2.gz SCCKKYWEEXYIIU-AWEZNQCLSA-N 1 0 234.343 1.151 50 0 BDAARO Cc1cccc(C[NH2+]CCN2CCOCC2)c1 ZINC000019953891 179091419 /nfs/dbraw/zinc/09/14/19/179091419.db2.gz RXEKNFKXCDJLIE-UHFFFAOYSA-N 1 0 234.343 1.417 50 0 BDAARO Cc1cccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000020055650 179127486 /nfs/dbraw/zinc/12/74/86/179127486.db2.gz AGUJOYWOBAZCQP-CYBMUJFWSA-N 1 0 248.326 1.702 50 0 BDAARO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000019412218 179138593 /nfs/dbraw/zinc/13/85/93/179138593.db2.gz JPFSCQFDUFLVTK-LLVKDONJSA-N 1 0 218.300 1.933 50 0 BDAARO Cc1cccc(NCCC[S@@](C)=O)[nH+]1 ZINC000097162584 179144112 /nfs/dbraw/zinc/14/41/12/179144112.db2.gz PVJUIWDZKXJRAO-AWEZNQCLSA-N 1 0 212.318 1.571 50 0 BDAARO CCCS(=O)(=O)CCCCCC[NH3+] ZINC000308257365 346780363 /nfs/dbraw/zinc/78/03/63/346780363.db2.gz KJVUYIAFHOMHKN-UHFFFAOYSA-N 1 0 207.339 1.330 50 0 BDAARO Cc1cccc(OCCN2CC[NH2+]CC2)c1C ZINC000019369890 179167297 /nfs/dbraw/zinc/16/72/97/179167297.db2.gz QZVBGJIITAQIIU-UHFFFAOYSA-N 1 0 234.343 1.587 50 0 BDAARO Cc1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)c1C ZINC000098013274 179189323 /nfs/dbraw/zinc/18/93/23/179189323.db2.gz IVIOGHHJUOEXIP-ZDUSSCGKSA-N 1 0 232.327 1.926 50 0 BDAARO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H]1CCOC1 ZINC000110695188 347341745 /nfs/dbraw/zinc/34/17/45/347341745.db2.gz FYKVCLZELDVPPY-GHMZBOCLSA-N 1 0 213.321 1.258 50 0 BDAARO Cc1ccccc1CCC(=O)N1CCC[C@@H]1C[NH3+] ZINC000111366101 179260019 /nfs/dbraw/zinc/26/00/19/179260019.db2.gz XHKAMZOOTYEOQS-CQSZACIVSA-N 1 0 246.354 1.877 50 0 BDAARO C[C@@H](C1CCC1)[N@H+](C)CCC1OCCO1 ZINC000195565987 347647320 /nfs/dbraw/zinc/64/73/20/347647320.db2.gz POZKEBCQRWGFBB-JTQLQIEISA-N 1 0 213.321 1.870 50 0 BDAARO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c(C)o1 ZINC000195573595 347647734 /nfs/dbraw/zinc/64/77/34/347647734.db2.gz HASPEVQSEYMLLK-LLVKDONJSA-N 1 0 238.331 1.886 50 0 BDAARO Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000011727379 179273995 /nfs/dbraw/zinc/27/39/95/179273995.db2.gz NAZBPAZVTWCPGW-ZDUSSCGKSA-N 1 0 205.301 1.952 50 0 BDAARO [NH3+][C@H](CO)c1ccc(OC(F)(F)F)cc1 ZINC000036949486 347978732 /nfs/dbraw/zinc/97/87/32/347978732.db2.gz ZWWLHDJVEDSDGM-MRVPVSSYSA-N 1 0 221.178 1.577 50 0 BDAARO C[C@H]1C[C@H](C)CN(c2cc(N)c(N)c[nH+]2)C1 ZINC000669382564 538002897 /nfs/dbraw/zinc/00/28/97/538002897.db2.gz BTQGESSKOCGIIZ-IUCAKERBSA-N 1 0 220.320 1.728 50 0 BDAARO C[C@@H]1C[C@H](C)CN(c2cc(N)c(N)c[nH+]2)C1 ZINC000669382563 538003315 /nfs/dbraw/zinc/00/33/15/538003315.db2.gz BTQGESSKOCGIIZ-DTORHVGOSA-N 1 0 220.320 1.728 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000004202980 187410774 /nfs/dbraw/zinc/41/07/74/187410774.db2.gz AKVIZYGPJIWKOS-IUCAKERBSA-N 1 0 214.309 1.781 50 0 BDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069582386 179744634 /nfs/dbraw/zinc/74/46/34/179744634.db2.gz GVRTVVOAQCJPLR-RYUDHWBXSA-N 1 0 247.346 1.664 50 0 BDAARO Cc1ccc(CN2CC[C@@H]([NH3+])C2=O)cc1F ZINC000199704152 350002518 /nfs/dbraw/zinc/00/25/18/350002518.db2.gz AVLJPUXPJYTVTD-LLVKDONJSA-N 1 0 222.263 1.194 50 0 BDAARO Cc1n[nH]cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000037878782 179854987 /nfs/dbraw/zinc/85/49/87/179854987.db2.gz FCTITDKRRBGILS-UHFFFAOYSA-N 1 0 245.282 1.737 50 0 BDAARO C[C@@H]1C[N@H+](CC2=CCCOC2)C(C)(C)CO1 ZINC000184797180 349314119 /nfs/dbraw/zinc/31/41/19/349314119.db2.gz YQVHVIZVBBDOSO-LLVKDONJSA-N 1 0 225.332 1.832 50 0 BDAARO CC(C)C[C@H](C)[NH2+]Cc1ccc(C(N)=O)o1 ZINC000090179873 191001290 /nfs/dbraw/zinc/00/12/90/191001290.db2.gz UQMWNJOTQGZTBE-VIFPVBQESA-N 1 0 224.304 1.903 50 0 BDAARO Cc1ccc(CNC(=O)N[C@H]2CC[C@H]2[NH3+])cc1 ZINC000072165829 191004123 /nfs/dbraw/zinc/00/41/23/191004123.db2.gz ZUUUJFSDYYSGPZ-NEPJUHHUSA-N 1 0 233.315 1.284 50 0 BDAARO O=C1C[C@]2(CC[N@H+](Cc3ccccc3)C2)CN1 ZINC000076914579 191005979 /nfs/dbraw/zinc/00/59/79/191005979.db2.gz WPICAKZZAJHCLQ-CQSZACIVSA-N 1 0 230.311 1.399 50 0 BDAARO C[C@H](OC(C)(C)C)[C@@H]1C[N@@H+]2CCC[C@H]2CN1 ZINC000309153890 350108978 /nfs/dbraw/zinc/10/89/78/350108978.db2.gz MOQSXZMCEOQADU-SRVKXCTJSA-N 1 0 226.364 1.626 50 0 BDAARO Cc1nc(N(C)C)cc(C2(C)CC[NH2+]CC2)n1 ZINC000072344517 179995327 /nfs/dbraw/zinc/99/53/27/179995327.db2.gz ROTRJAOHYHMCDD-UHFFFAOYSA-N 1 0 234.347 1.492 50 0 BDAARO CC(C)NC(=O)NCC1([NH3+])CCC(C)CC1 ZINC000725255084 538049976 /nfs/dbraw/zinc/04/99/76/538049976.db2.gz QWIGRVSYECAEJR-UHFFFAOYSA-N 1 0 227.352 1.602 50 0 BDAARO Cc1nc2sccn2c1CN1CC[NH2+]CC1 ZINC000031772029 180117734 /nfs/dbraw/zinc/11/77/34/180117734.db2.gz VXNZKXNVNPVPMR-UHFFFAOYSA-N 1 0 236.344 1.109 50 0 BDAARO CC(=O)N[C@@H]1CC=C([NH+]2CCCC2)CC1 ZINC000100801555 191063805 /nfs/dbraw/zinc/06/38/05/191063805.db2.gz WSVGFFKZSAQHCC-LLVKDONJSA-N 1 0 208.305 1.655 50 0 BDAARO Cc1ncccc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000094649200 180211622 /nfs/dbraw/zinc/21/16/22/180211622.db2.gz DASVEWZVWNZLIE-UWVGGRQHSA-N 1 0 233.315 1.212 50 0 BDAARO Cc1nccn1CCC[N@@H+](C)C[C@H]1CCOC1 ZINC000336711416 180238121 /nfs/dbraw/zinc/23/81/21/180238121.db2.gz RFCAKSBLBVMVIO-CYBMUJFWSA-N 1 0 237.347 1.550 50 0 BDAARO O=C1CC[C@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000038955816 350325030 /nfs/dbraw/zinc/32/50/30/350325030.db2.gz UFYDCFOCUPIKCR-ZDUSSCGKSA-N 1 0 230.311 1.493 50 0 BDAARO c1cn2c(n1)[C@@H](C[NH2+]Cc1cnc[nH]1)CCC2 ZINC000089884729 362954020 /nfs/dbraw/zinc/95/40/20/362954020.db2.gz UXRQHMWAFOAAFH-SNVBAGLBSA-N 1 0 231.303 1.273 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)n1 ZINC000040493354 350370813 /nfs/dbraw/zinc/37/08/13/350370813.db2.gz DERVAJBNFMYWGP-LBPRGKRZSA-N 1 0 247.342 1.604 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccoc1 ZINC000132989065 191104666 /nfs/dbraw/zinc/10/46/66/191104666.db2.gz ZWQDNLWPEWWBRN-LLVKDONJSA-N 1 0 224.304 1.725 50 0 BDAARO CC[C@@H]1C(=O)NCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000227200743 350488039 /nfs/dbraw/zinc/48/80/39/350488039.db2.gz LGZHNVXTDDNRHF-GHMZBOCLSA-N 1 0 208.305 1.306 50 0 BDAARO COC(=O)CCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008414 362988398 /nfs/dbraw/zinc/98/83/98/362988398.db2.gz CWEZNCHIIGUPEH-LLVKDONJSA-N 1 0 227.304 1.050 50 0 BDAARO CCSCC[NH2+]Cc1conc1C ZINC000397888526 350986704 /nfs/dbraw/zinc/98/67/04/350986704.db2.gz QFIFVSBMEHEHAX-UHFFFAOYSA-N 1 0 200.307 1.826 50 0 BDAARO Cc1ccnc(N2CC[NH+](C(C)C)CC2)n1 ZINC000222757086 351015957 /nfs/dbraw/zinc/01/59/57/351015957.db2.gz OZTGSGQZDVPDOI-UHFFFAOYSA-N 1 0 220.320 1.315 50 0 BDAARO CCCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000036257727 358460149 /nfs/dbraw/zinc/46/01/49/358460149.db2.gz ZGODMVBECSEQBZ-LLVKDONJSA-N 1 0 224.348 1.968 50 0 BDAARO C[C@H](C[NH+](CCO)CCO)c1ccccc1 ZINC000000757406 363057135 /nfs/dbraw/zinc/05/71/35/363057135.db2.gz LNWIEZWDWNOFEQ-GFCCVEGCSA-N 1 0 223.316 1.077 50 0 BDAARO C[n+]1ccccc1CS(=O)(=O)c1ccccc1 ZINC000000399133 187492031 /nfs/dbraw/zinc/49/20/31/187492031.db2.gz XMZBOYGTCDCVDI-UHFFFAOYSA-N 1 0 248.327 1.485 50 0 BDAARO O=c1[nH]c(C2CC[NH2+]CC2)cc2ccccc21 ZINC000040443258 352597191 /nfs/dbraw/zinc/59/71/91/352597191.db2.gz QZACQOBVWWIIJM-UHFFFAOYSA-N 1 0 228.295 1.995 50 0 BDAARO CCCC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045076641 352562655 /nfs/dbraw/zinc/56/26/55/352562655.db2.gz 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1.789 50 0 BDAARO C/C(=C\C(=O)N1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000269178745 188197417 /nfs/dbraw/zinc/19/74/17/188197417.db2.gz ZQVPCTKVPUTDQL-RSPDNQDQSA-N 1 0 248.301 1.789 50 0 BDAARO C/C=C/C=C\C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000096423479 188188732 /nfs/dbraw/zinc/18/87/32/188188732.db2.gz KOFPGFZEZDFXMP-NIXQUVKOSA-N 1 0 222.332 1.671 50 0 BDAARO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC000096485270 188188784 /nfs/dbraw/zinc/18/87/84/188188784.db2.gz FYKVCLZELDVPPY-WDEREUQCSA-N 1 0 213.321 1.258 50 0 BDAARO CC(C)N1CC[C@@H]([N@@H+]2CCS[C@@H](C)C2)C1=O ZINC000096447045 188189009 /nfs/dbraw/zinc/18/90/09/188189009.db2.gz UFDAGFQYQFIQEE-WDEREUQCSA-N 1 0 242.388 1.433 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000054369447 188222317 /nfs/dbraw/zinc/22/23/17/188222317.db2.gz RADMFVDBFYGTOO-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO Fc1ccc(OCC[NH2+]CCn2cccn2)cc1 ZINC000070037109 180979692 /nfs/dbraw/zinc/97/96/92/180979692.db2.gz XPRISELIAZBBEO-UHFFFAOYSA-N 1 0 249.289 1.691 50 0 BDAARO Fc1ccccc1CNC1=[NH+]CCCN1 ZINC000225528131 181011826 /nfs/dbraw/zinc/01/18/26/181011826.db2.gz XXDWNRRIGQEQFH-UHFFFAOYSA-N 1 0 207.252 1.265 50 0 BDAARO Fc1ccccc1CCCN1CC[NH2+]CC1 ZINC000019801370 181010314 /nfs/dbraw/zinc/01/03/14/181010314.db2.gz IFBPZZVUODDKQP-UHFFFAOYSA-N 1 0 222.307 1.664 50 0 BDAARO Cc1cc(N2CCO[C@H](CF)C2)cc[nH+]1 ZINC000334658565 354454396 /nfs/dbraw/zinc/45/43/96/354454396.db2.gz IFHFMXUUTKCZAC-LLVKDONJSA-N 1 0 210.252 1.565 50 0 BDAARO N=C(NC(N)=[NH2+])Nc1cccc(Cl)c1Cl ZINC000000089377 181188651 /nfs/dbraw/zinc/18/86/51/181188651.db2.gz VBICEVQOHHQRLY-UHFFFAOYSA-N 1 0 246.101 1.823 50 0 BDAARO NC(=[NH2+])Nc1cccc(Br)c1 ZINC000031772055 181191371 /nfs/dbraw/zinc/19/13/71/181191371.db2.gz UPCKPUWKMOWDFJ-UHFFFAOYSA-N 1 0 214.066 1.754 50 0 BDAARO NC(=[NH2+])c1cccc(OCc2ccccc2)n1 ZINC000071186732 181195808 /nfs/dbraw/zinc/19/58/08/181195808.db2.gz RGWFUZZUCLWSPH-UHFFFAOYSA-N 1 0 227.267 1.945 50 0 BDAARO NC(=[NH2+])c1cccc(Br)n1 ZINC000034466768 181196630 /nfs/dbraw/zinc/19/66/30/181196630.db2.gz ZEMZCCWJPBSOPD-UHFFFAOYSA-N 1 0 200.039 1.128 50 0 BDAARO COC(=O)[C@H](C)C[N@H+](C)Cc1cccnc1 ZINC000035133378 355843774 /nfs/dbraw/zinc/84/37/74/355843774.db2.gz DFWSXYLIJKMBKW-SNVBAGLBSA-N 1 0 222.288 1.323 50 0 BDAARO NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000039292973 181220214 /nfs/dbraw/zinc/22/02/14/181220214.db2.gz RTJSTOYFDXUSDK-UHFFFAOYSA-N 1 0 232.327 1.774 50 0 BDAARO NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000060061600 181229914 /nfs/dbraw/zinc/22/99/14/181229914.db2.gz FFYUYIDHEFAOEB-CYBMUJFWSA-N 1 0 230.311 1.624 50 0 BDAARO C[C@@]12CC[N@H+](CCCO)C[C@@H]1C2(F)F ZINC000336114778 134088059 /nfs/dbraw/zinc/08/80/59/134088059.db2.gz APWSGZVCIQDEQP-DTWKUNHWSA-N 1 0 205.248 1.346 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000097103585 181267496 /nfs/dbraw/zinc/26/74/96/181267496.db2.gz OJBJXYAEKWGPEK-MNOVXSKESA-N 1 0 210.321 1.420 50 0 BDAARO CC(C)[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000037386076 356369269 /nfs/dbraw/zinc/36/92/69/356369269.db2.gz WURDTAZNQQYKKR-UHFFFAOYSA-N 1 0 224.279 1.440 50 0 BDAARO C[NH+]([C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000045027502 356371729 /nfs/dbraw/zinc/37/17/29/356371729.db2.gz DCOWSAJHGYDKOR-NDBYEHHHSA-N 1 0 227.348 1.525 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000278813 181269790 /nfs/dbraw/zinc/26/97/90/181269790.db2.gz DPWAZNKOJKMLTR-LLVKDONJSA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000027014423 181278250 /nfs/dbraw/zinc/27/82/50/181278250.db2.gz CHKKXBGDVDCPOU-CYBMUJFWSA-N 1 0 232.327 1.993 50 0 BDAARO O[C@@]1(C(F)F)CC[N@H+](Cc2ccco2)C1 ZINC000336207028 134132099 /nfs/dbraw/zinc/13/20/99/134132099.db2.gz FYQXNTYRMXPLIL-JTQLQIEISA-N 1 0 217.215 1.482 50 0 BDAARO C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCS1 ZINC000084715150 538534699 /nfs/dbraw/zinc/53/46/99/538534699.db2.gz SVNIZAXXIVWBRQ-JTQLQIEISA-N 1 0 242.388 1.435 50 0 BDAARO COCCOC(=O)C[C@H](C[NH3+])CC(C)C ZINC000083862724 538525831 /nfs/dbraw/zinc/52/58/31/538525831.db2.gz GIOZBZPPGILMJQ-SNVBAGLBSA-N 1 0 217.309 1.187 50 0 BDAARO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccn1C ZINC000075092941 356820493 /nfs/dbraw/zinc/82/04/93/356820493.db2.gz DPUUWNIDSLGAPY-ZDUSSCGKSA-N 1 0 238.331 1.847 50 0 BDAARO CN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000075251986 356914250 /nfs/dbraw/zinc/91/42/50/356914250.db2.gz KHEHCJADAVDEIQ-AWEZNQCLSA-N 1 0 216.328 1.921 50 0 BDAARO Cc1cn2c(n1)[C@@H](C[NH2+]C1CCOCC1)CCC2 ZINC000095402072 360336675 /nfs/dbraw/zinc/33/66/75/360336675.db2.gz PGUBUILZWIOXIC-GFCCVEGCSA-N 1 0 249.358 1.838 50 0 BDAARO NC(=O)c1ccc[n+](Cc2ccccc2)c1 ZINC000002470179 181301949 /nfs/dbraw/zinc/30/19/49/181301949.db2.gz GPBSRPLIMMWMQS-UHFFFAOYSA-O 1 0 213.260 1.121 50 0 BDAARO O=C1C[C@@]2(CC[NH2+]C2)Oc2ccc(F)cc21 ZINC000036140990 360660163 /nfs/dbraw/zinc/66/01/63/360660163.db2.gz UFFKXSQGALUFOA-GFCCVEGCSA-N 1 0 221.231 1.523 50 0 BDAARO Cc1ccoc1[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000170072110 361387704 /nfs/dbraw/zinc/38/77/04/361387704.db2.gz GNBKKNAVCPBHOV-MNOVXSKESA-N 1 0 236.315 1.907 50 0 BDAARO [NH3+]C1(COc2ncccc2F)CCCC1 ZINC000070876108 181332667 /nfs/dbraw/zinc/33/26/67/181332667.db2.gz SGCYPMKLFQZSPK-UHFFFAOYSA-N 1 0 210.252 1.871 50 0 BDAARO [NH3+]C1(c2ccc(C(F)(F)F)cc2)COC1 ZINC000071792151 181334272 /nfs/dbraw/zinc/33/42/72/181334272.db2.gz ZZJURAPZLDCMBD-UHFFFAOYSA-N 1 0 217.190 1.890 50 0 BDAARO [NH3+]C1CCN(Cc2cc(F)ccc2F)CC1 ZINC000036379843 181344287 /nfs/dbraw/zinc/34/42/87/181344287.db2.gz VGGAGGFJRXHDCG-UHFFFAOYSA-N 1 0 226.270 1.888 50 0 BDAARO [NH3+]CC1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000044512795 181363781 /nfs/dbraw/zinc/36/37/81/181363781.db2.gz KLHPAOVARAHLGV-ONEGZZNKSA-N 1 0 234.299 1.490 50 0 BDAARO [NH3+]CCCn1nc(-c2ccccc2)ccc1=O ZINC000033420620 181388948 /nfs/dbraw/zinc/38/89/48/181388948.db2.gz YSPMOKARTYZIID-UHFFFAOYSA-N 1 0 229.283 1.259 50 0 BDAARO [NH3+]CCN1C(=O)S[C@@H](c2ccccc2)C1=O ZINC000039320084 181391638 /nfs/dbraw/zinc/39/16/38/181391638.db2.gz SJOQKMLNLDPVMN-VIFPVBQESA-N 1 0 236.296 1.382 50 0 BDAARO [NH3+]CCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000033420633 181389583 /nfs/dbraw/zinc/38/95/83/181389583.db2.gz MYLBHOZLVCNXDS-UHFFFAOYSA-N 1 0 247.273 1.398 50 0 BDAARO [NH3+]CCN1CCc2c(Cl)cccc2C1=O ZINC000057516770 181393712 /nfs/dbraw/zinc/39/37/12/181393712.db2.gz XEWBVGJMZXWJKI-UHFFFAOYSA-N 1 0 224.691 1.297 50 0 BDAARO [NH3+]CCOc1ccc(-c2ccc(F)cc2)nn1 ZINC000061957824 181399660 /nfs/dbraw/zinc/39/96/60/181399660.db2.gz MUGWELVSHDUCFG-UHFFFAOYSA-N 1 0 233.246 1.620 50 0 BDAARO [NH3+]CCc1nc(COc2ccccc2)no1 ZINC000019786253 181413896 /nfs/dbraw/zinc/41/38/96/181413896.db2.gz QQPSOHQQHBJCLY-UHFFFAOYSA-N 1 0 219.244 1.150 50 0 BDAARO Fc1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000002295774 369047966 /nfs/dbraw/zinc/04/79/66/369047966.db2.gz VSLJXYWRWNUHAX-ZDUSSCGKSA-N 1 0 239.290 1.973 50 0 BDAARO O=c1[nH]c2ccc(C[NH2+][C@H]3CCCOC3)cc2[nH]1 ZINC000584885032 369032960 /nfs/dbraw/zinc/03/29/60/369032960.db2.gz IHPDWILYZGESGC-JTQLQIEISA-N 1 0 247.298 1.537 50 0 BDAARO c1ccn2c(c1)nnc2CCC[NH2+][C@@H]1CCOC1 ZINC000584884701 369033315 /nfs/dbraw/zinc/03/33/15/369033315.db2.gz WDKINEQLJBQXQB-LLVKDONJSA-N 1 0 246.314 1.040 50 0 BDAARO CCCc1cc(C[NH2+][C@@H]2CN3CCC2CC3)on1 ZINC000584890734 369038302 /nfs/dbraw/zinc/03/83/02/369038302.db2.gz UZIFSWWEDDHQQQ-CQSZACIVSA-N 1 0 249.358 1.811 50 0 BDAARO Nc1cncc(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000067909689 181438231 /nfs/dbraw/zinc/43/82/31/181438231.db2.gz AQQYXFNBWMGHQM-LBPRGKRZSA-N 1 0 241.294 1.593 50 0 BDAARO [NH3+]C[C@H]1Cn2cccc2CN1Cc1ccccc1 ZINC000169676472 181467763 /nfs/dbraw/zinc/46/77/63/181467763.db2.gz MIRFUCXIVDPTEX-HNNXBMFYSA-N 1 0 241.338 1.831 50 0 BDAARO [NH3+]C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000002585678 181459797 /nfs/dbraw/zinc/45/97/97/181459797.db2.gz PAIJQGYSIGOWOF-CYBMUJFWSA-N 1 0 248.326 1.994 50 0 BDAARO CSC1(C[NH2+]Cc2ncc(C)o2)CC1 ZINC000308546659 370144663 /nfs/dbraw/zinc/14/46/63/370144663.db2.gz OEBDTAIQOVUGAR-UHFFFAOYSA-N 1 0 212.318 1.968 50 0 BDAARO COC[C@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000328628448 371132740 /nfs/dbraw/zinc/13/27/40/371132740.db2.gz HGUUBDMWIBRJHG-QWRGUYRKSA-N 1 0 223.320 1.070 50 0 BDAARO O=C1C[C@@H](C[N@@H+]2CCc3sccc3C2)CN1 ZINC000390828487 371239404 /nfs/dbraw/zinc/23/94/04/371239404.db2.gz RIFMJBWSEAYJFO-SECBINFHSA-N 1 0 236.340 1.242 50 0 BDAARO CC[NH+](CC)CCCNC(=O)c1cc(C)no1 ZINC000020857920 371339081 /nfs/dbraw/zinc/33/90/81/371339081.db2.gz NEBOFDUXLIFWGN-UHFFFAOYSA-N 1 0 239.319 1.445 50 0 BDAARO COc1ccc([C@]2(O)OCC[NH2+]C2(C)C)cc1 ZINC000096027053 371381017 /nfs/dbraw/zinc/38/10/17/371381017.db2.gz MUFUUNOMLOXTAC-ZDUSSCGKSA-N 1 0 237.299 1.239 50 0 BDAARO Nc1ccccc1C[NH+]1CCSCC1 ZINC000020256863 181755245 /nfs/dbraw/zinc/75/52/45/181755245.db2.gz ZAEZFXZNLSFHHF-UHFFFAOYSA-N 1 0 208.330 1.818 50 0 BDAARO C[C@@H](O)C[NH2+]CCOc1ccc(Cl)cc1 ZINC000008753698 372880006 /nfs/dbraw/zinc/88/00/06/372880006.db2.gz ACNCVZJQIZXBCZ-SECBINFHSA-N 1 0 229.707 1.689 50 0 BDAARO O=C(Cc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000019679890 182033855 /nfs/dbraw/zinc/03/38/55/182033855.db2.gz XMSQPRRJHDDJBZ-UHFFFAOYSA-N 1 0 238.718 1.314 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]CCc1cccc(Cl)c1 ZINC000008938022 373108032 /nfs/dbraw/zinc/10/80/32/373108032.db2.gz MVAXMHQOZYBABB-SECBINFHSA-N 1 0 240.734 1.736 50 0 BDAARO O=C(NC1CCCCC1)C1CC[NH2+]CC1 ZINC000015442038 182111976 /nfs/dbraw/zinc/11/19/76/182111976.db2.gz SUECUXVKMPTLRH-UHFFFAOYSA-N 1 0 210.321 1.435 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1ccccc1F ZINC000004293964 182116177 /nfs/dbraw/zinc/11/61/77/182116177.db2.gz UNLDWZAQCWUMQJ-UHFFFAOYSA-N 1 0 222.263 1.308 50 0 BDAARO O=C(NCC1CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000096476109 182139721 /nfs/dbraw/zinc/13/97/21/182139721.db2.gz AAMCLJCTVUGUHQ-ZDUSSCGKSA-N 1 0 236.359 1.635 50 0 BDAARO O=C(NCC[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000082486871 182201233 /nfs/dbraw/zinc/20/12/33/182201233.db2.gz XSLUNJCBZDOCPQ-SNVBAGLBSA-N 1 0 238.356 1.868 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000070949944 182329765 /nfs/dbraw/zinc/32/97/65/182329765.db2.gz LYZBIMBIEKWBGK-NSHDSACASA-N 1 0 238.718 1.822 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccoc1 ZINC000229385851 182336468 /nfs/dbraw/zinc/33/64/68/182336468.db2.gz SUTDZVVGZFTBBD-RYUDHWBXSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(Nc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000004313166 182356856 /nfs/dbraw/zinc/35/68/56/182356856.db2.gz RBNOIQVPCOVDKE-SNVBAGLBSA-N 1 0 208.236 1.516 50 0 BDAARO O=C(Nc1cnc(C2CC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000158357493 182392439 /nfs/dbraw/zinc/39/24/39/182392439.db2.gz ZNBDVIGDDGUQDT-SNVBAGLBSA-N 1 0 246.314 1.292 50 0 BDAARO O=C1NCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000050393946 182802136 /nfs/dbraw/zinc/80/21/36/182802136.db2.gz QPWMRQQWQBXGMB-LLVKDONJSA-N 1 0 210.321 1.577 50 0 BDAARO OC1CCC([NH2+]Cc2cccnc2)CC1 ZINC000019918551 183027062 /nfs/dbraw/zinc/02/70/62/183027062.db2.gz YMPPARSZSBNUSL-UHFFFAOYSA-N 1 0 206.289 1.475 50 0 BDAARO OC[C@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000041281842 183149907 /nfs/dbraw/zinc/14/99/07/183149907.db2.gz OWWDTFCURXIZSJ-GFCCVEGCSA-N 1 0 239.290 1.661 50 0 BDAARO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1F ZINC000242688608 183155539 /nfs/dbraw/zinc/15/55/39/183155539.db2.gz VUSIMSUGLBODCD-CHWSQXEVSA-N 1 0 223.291 1.839 50 0 BDAARO CCCN(C(=O)c1ccc(C)n1C)[C@H]1CC[NH2+]C1 ZINC000071330269 169046105 /nfs/dbraw/zinc/04/61/05/169046105.db2.gz ORRULZPJUPTTSU-LBPRGKRZSA-N 1 0 249.358 1.548 50 0 BDAARO CCCN(C(=O)c1ccc(C)n1C)[C@@H]1CC[NH2+]C1 ZINC000109391859 169046362 /nfs/dbraw/zinc/04/63/62/169046362.db2.gz ORRULZPJUPTTSU-GFCCVEGCSA-N 1 0 249.358 1.548 50 0 BDAARO CCCN(C(=O)c1ccoc1)[C@@H]1CC[NH2+]C1 ZINC000037469931 169047548 /nfs/dbraw/zinc/04/75/48/169047548.db2.gz LVYAOKRQPHUDQA-LLVKDONJSA-N 1 0 222.288 1.494 50 0 BDAARO O[C@@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000019088761 183182984 /nfs/dbraw/zinc/18/29/84/183182984.db2.gz QLQFYCNTRVMVIU-ZDUSSCGKSA-N 1 0 205.301 1.590 50 0 BDAARO O[C@@H](C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000078210664 183183634 /nfs/dbraw/zinc/18/36/34/183183634.db2.gz OTPGHSWEBWKQDP-NEPJUHHUSA-N 1 0 207.273 1.099 50 0 BDAARO O[C@H](Cc1ccccc1)C1CC[NH2+]CC1 ZINC000019088764 183227169 /nfs/dbraw/zinc/22/71/69/183227169.db2.gz QLQFYCNTRVMVIU-CYBMUJFWSA-N 1 0 205.301 1.590 50 0 BDAARO O[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000004343367 183228885 /nfs/dbraw/zinc/22/88/85/183228885.db2.gz GEOSFHFASCZYCA-GFCCVEGCSA-N 1 0 209.264 1.859 50 0 BDAARO O[C@@]1(C(F)(F)F)CC[N@H+](CC2CCC2)C1 ZINC000097012417 183215095 /nfs/dbraw/zinc/21/50/95/183215095.db2.gz FQCKHNRPKQYVQC-VIFPVBQESA-N 1 0 223.238 1.786 50 0 BDAARO O[C@@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000072275954 183216633 /nfs/dbraw/zinc/21/66/33/183216633.db2.gz VDJQZFHZIAWZAZ-CYBMUJFWSA-N 1 0 205.301 1.734 50 0 BDAARO O[C@]1(CCc2ccccc2)CCC[NH2+]C1 ZINC000072275955 183250043 /nfs/dbraw/zinc/25/00/43/183250043.db2.gz VDJQZFHZIAWZAZ-ZDUSSCGKSA-N 1 0 205.301 1.734 50 0 BDAARO CCC[NH+](CCC)[C@@H](C)C(=O)NC(=O)NCC ZINC000096969502 169150222 /nfs/dbraw/zinc/15/02/22/169150222.db2.gz PIYVHYISTBJDDI-JTQLQIEISA-N 1 0 243.351 1.343 50 0 BDAARO CCCN(CCC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019413526 169143408 /nfs/dbraw/zinc/14/34/08/169143408.db2.gz IFOGRTARYAMRPA-LLVKDONJSA-N 1 0 212.337 1.635 50 0 BDAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(O)cn2)C1 ZINC000216253493 169206256 /nfs/dbraw/zinc/20/62/56/169206256.db2.gz NQTCVAIEOHHMIP-SNVBAGLBSA-N 1 0 249.314 1.001 50 0 BDAARO c1cc(C[NH2+]CC[C@H]2CCCO2)ccn1 ZINC000037988759 183350965 /nfs/dbraw/zinc/35/09/65/183350965.db2.gz WICCDJHSWSRGIX-GFCCVEGCSA-N 1 0 206.289 1.740 50 0 BDAARO c1cc(NC2CCOCC2)nc(C2CC2)n1 ZINC000171985597 183357023 /nfs/dbraw/zinc/35/70/23/183357023.db2.gz FNPDIPCSBCZNSP-UHFFFAOYSA-N 1 0 219.288 1.945 50 0 BDAARO CCC[NH2+]CCNC(=O)c1cc(C)cc(F)c1 ZINC000135444319 169259326 /nfs/dbraw/zinc/25/93/26/169259326.db2.gz BUGKJVHGBYSFBN-UHFFFAOYSA-N 1 0 238.306 1.864 50 0 BDAARO CCCNC(=O)N1CC[NH+](CCC)CC1 ZINC000006700073 169235806 /nfs/dbraw/zinc/23/58/06/169235806.db2.gz OSXLISOWHUKBHV-UHFFFAOYSA-N 1 0 213.325 1.134 50 0 BDAARO c1[nH]nc(N2CC[NH2+]CC2)c1-c1ccccc1 ZINC000072332515 183381333 /nfs/dbraw/zinc/38/13/33/183381333.db2.gz VROVCMDWLXXDHJ-UHFFFAOYSA-N 1 0 228.299 1.486 50 0 BDAARO c1oc(-c2ccccc2)nc1CN1CC[NH2+]CC1 ZINC000019765459 183382409 /nfs/dbraw/zinc/38/24/09/183382409.db2.gz IWWAIPJRFXQPQM-UHFFFAOYSA-N 1 0 243.310 1.747 50 0 BDAARO c1cn(Cc2noc(-c3ccccc3)n2)cn1 ZINC000064551237 183382433 /nfs/dbraw/zinc/38/24/33/183382433.db2.gz NDOJAIDNFDRPAU-UHFFFAOYSA-N 1 0 226.239 1.981 50 0 BDAARO c1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)nc1 ZINC000012957001 183384532 /nfs/dbraw/zinc/38/45/32/183384532.db2.gz KZBYZQKJWLTIKT-VIFPVBQESA-N 1 0 216.244 1.556 50 0 BDAARO CCCOCCOCC[C@@H]1CCC[NH2+]C1 ZINC000042772121 169309924 /nfs/dbraw/zinc/30/99/24/169309924.db2.gz CXWMLNBBOBVDJV-LBPRGKRZSA-N 1 0 215.337 1.819 50 0 BDAARO CCC[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000330031804 169367195 /nfs/dbraw/zinc/36/71/95/169367195.db2.gz DMIRQNCZLNRQOI-VXGBXAGGSA-N 1 0 212.337 1.191 50 0 BDAARO c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000067712653 183480210 /nfs/dbraw/zinc/48/02/10/183480210.db2.gz DJOUNCXXLAEDRX-GFCCVEGCSA-N 1 0 218.304 1.057 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000043220734 166653186 /nfs/dbraw/zinc/65/31/86/166653186.db2.gz JMCDKYJLNLUCRX-LBPRGKRZSA-N 1 0 226.320 1.749 50 0 BDAARO CC(C)(C)OC(=O)NC1CC2(CC[NH2+]2)C1 ZINC000095743392 166660169 /nfs/dbraw/zinc/66/01/69/166660169.db2.gz RRMQBXQOCRBMDL-UHFFFAOYSA-N 1 0 212.293 1.406 50 0 BDAARO CCC[C@H]1CN(c2nc(C)ncc2C)C[C@@H]1[NH3+] ZINC000091254965 169529444 /nfs/dbraw/zinc/52/94/44/169529444.db2.gz KHLJKIXIHOOBOI-RYUDHWBXSA-N 1 0 234.347 1.657 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CC1(C)C ZINC000238161886 166662244 /nfs/dbraw/zinc/66/22/44/166662244.db2.gz ZNZVGDHTHSVNLA-VIFPVBQESA-N 1 0 228.336 1.757 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000141485110 166665277 /nfs/dbraw/zinc/66/52/77/166665277.db2.gz XMYGQAXKEOMNDO-HBNTYKKESA-N 1 0 240.347 1.899 50 0 BDAARO CC[C@@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000034994756 383820603 /nfs/dbraw/zinc/82/06/03/383820603.db2.gz AJXNCCRPVSQURY-KBPBESRZSA-N 1 0 219.328 1.904 50 0 BDAARO Cc1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000000177589 383842151 /nfs/dbraw/zinc/84/21/51/383842151.db2.gz CHVBUZXSWTYODQ-CYBMUJFWSA-N 1 0 235.327 1.831 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000035220404 383846197 /nfs/dbraw/zinc/84/61/97/383846197.db2.gz CFRNBNUWGNIDCI-LLVKDONJSA-N 1 0 212.337 1.761 50 0 BDAARO Cc1ccc2ncnc(N3CC[NH+](C)CC3)c2c1 ZINC000000071736 383849685 /nfs/dbraw/zinc/84/96/85/383849685.db2.gz YLKYQJYQPIOJLF-UHFFFAOYSA-N 1 0 242.326 1.690 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccco1 ZINC000035738304 383874880 /nfs/dbraw/zinc/87/48/80/383874880.db2.gz QVDMUXFZYUXPLN-ZJUUUORDSA-N 1 0 224.304 1.830 50 0 BDAARO CC[NH+](CC)CCn1cccc(C)c1=O ZINC000071516954 383877274 /nfs/dbraw/zinc/87/72/74/383877274.db2.gz KPIIOHIJAOSNCN-UHFFFAOYSA-N 1 0 208.305 1.499 50 0 BDAARO CC[C@@H]([NH3+])[C@@H](O)c1c(F)cccc1F ZINC000036779172 383909033 /nfs/dbraw/zinc/90/90/33/383909033.db2.gz IKAZPXWEBASSEL-PSASIEDQSA-N 1 0 201.216 1.736 50 0 BDAARO c1cnn(CC2(C[NH2+][C@H]3CCCNC3)CC2)c1 ZINC000067433141 383923507 /nfs/dbraw/zinc/92/35/07/383923507.db2.gz SNHHBDOAPHTFAZ-LBPRGKRZSA-N 1 0 234.347 1.005 50 0 BDAARO CC(C)COC(=O)N1[C@H](C)C[C@H]2C[NH2+]C[C@@H]21 ZINC000036263666 383893802 /nfs/dbraw/zinc/89/38/02/383893802.db2.gz RYIGOQFWMTVKTB-VWYCJHECSA-N 1 0 226.320 1.461 50 0 BDAARO CC[C@H](O)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000339077315 383894520 /nfs/dbraw/zinc/89/45/20/383894520.db2.gz LFRXZEBYVMRHOS-RYUDHWBXSA-N 1 0 239.363 1.868 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1 ZINC000050246293 383985297 /nfs/dbraw/zinc/98/52/97/383985297.db2.gz HJPZXWJJSAPIKM-QMMMGPOBSA-N 1 0 240.253 1.386 50 0 BDAARO CCc1cccc(OCCC[NH2+]CCO)c1 ZINC000003000801 383996991 /nfs/dbraw/zinc/99/69/91/383996991.db2.gz CSHJHJZUQCLOGJ-UHFFFAOYSA-N 1 0 223.316 1.600 50 0 BDAARO CC[C@](C)([NH3+])c1nc(C(F)F)cc(=O)[nH]1 ZINC000068577443 383999129 /nfs/dbraw/zinc/99/91/29/383999129.db2.gz GLLLRSAYMJSXOM-VIFPVBQESA-N 1 0 217.219 1.291 50 0 BDAARO C[NH+](C)CCCOC(=O)c1ccc(F)cc1 ZINC000001826319 383938839 /nfs/dbraw/zinc/93/88/39/383938839.db2.gz USZISWRFBXFIRG-UHFFFAOYSA-N 1 0 225.263 1.934 50 0 BDAARO CCc1c(C)nc(C2([NH3+])CCCCC2)[nH]c1=O ZINC000068577012 384000456 /nfs/dbraw/zinc/00/04/56/384000456.db2.gz QEYQDVHTDBDIHH-UHFFFAOYSA-N 1 0 235.331 1.759 50 0 BDAARO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C[NH3+] ZINC000068593348 384001296 /nfs/dbraw/zinc/00/12/96/384001296.db2.gz PFHYJLHCIFWOCF-DTWKUNHWSA-N 1 0 244.335 1.706 50 0 BDAARO CC1(C)N=C(Nc2ccccc2)NC(=[NH2+])N1 ZINC000002464231 383966238 /nfs/dbraw/zinc/96/62/38/383966238.db2.gz JPHQETJAWFRRBM-UHFFFAOYSA-N 1 0 217.276 1.318 50 0 BDAARO Cc1ccc(CSC[C@H]([NH3+])CO)cc1 ZINC000002567345 383976921 /nfs/dbraw/zinc/97/69/21/383976921.db2.gz YORIOJRHRGVUSU-LLVKDONJSA-N 1 0 211.330 1.548 50 0 BDAARO c1ccn2c(c1)nnc2C1CC[NH2+]CC1 ZINC000004207188 384044842 /nfs/dbraw/zinc/04/48/42/384044842.db2.gz AQOMRKUKXBCFMY-UHFFFAOYSA-N 1 0 202.261 1.196 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000004202945 384044872 /nfs/dbraw/zinc/04/48/72/384044872.db2.gz MIYUNZAWHSSBPU-VIFPVBQESA-N 1 0 214.309 1.653 50 0 BDAARO Cc1cc(N2CCC[C@H]([NH3+])C2)nc(C)n1 ZINC000090225636 384035564 /nfs/dbraw/zinc/03/55/64/384035564.db2.gz JDXUDOOOELZRMX-JTQLQIEISA-N 1 0 206.293 1.021 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000255299400 384069935 /nfs/dbraw/zinc/06/99/35/384069935.db2.gz GUHDTDOVVAUIHT-DANTVBBOSA-N 1 0 244.338 1.829 50 0 BDAARO CN(C)[C@@H]1C[N@@H+](C2CCCC2)CC[C@@H]1CO ZINC000257186831 384071559 /nfs/dbraw/zinc/07/15/59/384071559.db2.gz ZVWCTPUFBNFJKA-DGCLKSJQSA-N 1 0 226.364 1.173 50 0 BDAARO N[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000035677124 384091326 /nfs/dbraw/zinc/09/13/26/384091326.db2.gz ORZCKQHZSBNGRU-MRVPVSSYSA-N 1 0 205.088 1.952 50 0 BDAARO CCC[C@]1(CO)CCC[N@H+](Cc2cncnc2)C1 ZINC000091254377 384111583 /nfs/dbraw/zinc/11/15/83/384111583.db2.gz HGRSMSSNXCVLQD-AWEZNQCLSA-N 1 0 249.358 1.851 50 0 BDAARO CC(=O)c1csc(NC(=O)C[C@@H](C)[NH3+])n1 ZINC000070886109 384139289 /nfs/dbraw/zinc/13/92/89/384139289.db2.gz WLHPULBNCKTMEO-RXMQYKEDSA-N 1 0 227.289 1.022 50 0 BDAARO CCC[C@H]1CN(c2nc(C)cc(C)n2)C[C@@H]1[NH3+] ZINC000091725128 384141232 /nfs/dbraw/zinc/14/12/32/384141232.db2.gz IGAAMCDPXVUMRP-RYUDHWBXSA-N 1 0 234.347 1.657 50 0 BDAARO CCC[C@H]1CN(c2cc(C)ncn2)C[C@@H]1[NH+](C)C ZINC000091780223 384143909 /nfs/dbraw/zinc/14/39/09/384143909.db2.gz UOOJTENOJDZIEG-STQMWFEESA-N 1 0 248.374 1.952 50 0 BDAARO O=c1oc2ccccc2n1[C@H]1CC[NH2+]C1 ZINC000041630758 384194105 /nfs/dbraw/zinc/19/41/05/384194105.db2.gz PIUUOOHIUQNDFO-QMMMGPOBSA-N 1 0 204.229 1.129 50 0 BDAARO C[C@]1(F)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336268729 384196279 /nfs/dbraw/zinc/19/62/79/384196279.db2.gz HTKAGWQFCIBTJY-QWRGUYRKSA-N 1 0 201.285 1.847 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)c1ccc(Cl)s1 ZINC000072161121 384198199 /nfs/dbraw/zinc/19/81/99/384198199.db2.gz WNPBFWSSRBOHBJ-RITPCOANSA-N 1 0 230.720 1.621 50 0 BDAARO CC(C)(C)OC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000072194415 384200008 /nfs/dbraw/zinc/20/00/08/384200008.db2.gz UNANQGCDACTJPA-SECBINFHSA-N 1 0 214.309 1.653 50 0 BDAARO [NH3+]C[C@@H](O)c1ccccc1Br ZINC000008699498 384209100 /nfs/dbraw/zinc/20/91/00/384209100.db2.gz LNRDJBNFUFLKON-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO C[NH+](C)CCNC(=O)Oc1ccccc1 ZINC000008729984 384211493 /nfs/dbraw/zinc/21/14/93/384211493.db2.gz WKOSQASLWPAQCE-UHFFFAOYSA-N 1 0 208.261 1.337 50 0 BDAARO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1nccn1C ZINC000408514340 384263383 /nfs/dbraw/zinc/26/33/83/384263383.db2.gz IZKHNNHQXSJGIC-WOPDTQHZSA-N 1 0 237.347 1.401 50 0 BDAARO [NH3+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000000139845 384266294 /nfs/dbraw/zinc/26/62/94/384266294.db2.gz PAPWJBABWJBENM-ZCFIWIBFSA-N 1 0 236.098 1.692 50 0 BDAARO COC[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CCO1 ZINC000408518359 384273710 /nfs/dbraw/zinc/27/37/10/384273710.db2.gz CXXQXEIQLMPQGW-SNVBAGLBSA-N 1 0 247.298 1.415 50 0 BDAARO C[C@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)c2ccccc21 ZINC000408519311 384276176 /nfs/dbraw/zinc/27/61/76/384276176.db2.gz UAEQALDQGIHDHN-IINYFYTJSA-N 1 0 248.301 1.838 50 0 BDAARO C[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000012357177 384313944 /nfs/dbraw/zinc/31/39/44/384313944.db2.gz RMTXPZPWCLGBFD-BDAKNGLRSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@@H](CN(C)C(=O)CCC[NH3+])c1ccccc1 ZINC000097019127 384282837 /nfs/dbraw/zinc/28/28/37/384282837.db2.gz VOXJKRWPBGGXEK-LBPRGKRZSA-N 1 0 234.343 1.987 50 0 BDAARO COCCCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525638 384290478 /nfs/dbraw/zinc/29/04/78/384290478.db2.gz MLFIKHHKLBWOFV-LBPRGKRZSA-N 1 0 245.363 1.967 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OC[C@H]1C[C@@H](O)C1 ZINC000408525593 384290783 /nfs/dbraw/zinc/29/07/83/384290783.db2.gz HGVRSHQFWWTVKB-SDDRHHMPSA-N 1 0 243.347 1.312 50 0 BDAARO [NH3+]C[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000011920021 384301047 /nfs/dbraw/zinc/30/10/47/384301047.db2.gz CCSZZNDKFJGOFY-MRVPVSSYSA-N 1 0 208.236 1.137 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]12CC[NH2+]C2 ZINC000075824172 384339788 /nfs/dbraw/zinc/33/97/88/384339788.db2.gz OJDKDBHLSUSOBW-NSHDSACASA-N 1 0 212.293 1.359 50 0 BDAARO COC(=O)[C@@H](C)SCC[NH+]1CCCCC1 ZINC000097102235 384359748 /nfs/dbraw/zinc/35/97/48/384359748.db2.gz XIOZAVLPEKHBDO-SNVBAGLBSA-N 1 0 231.361 1.767 50 0 BDAARO CC(C)CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210801 384365465 /nfs/dbraw/zinc/36/54/65/384365465.db2.gz WQSJVUMFZCSEKE-GFCCVEGCSA-N 1 0 220.316 1.329 50 0 BDAARO CC(C)(C)OC(=O)NC1CC2(C1)CCC[NH2+]2 ZINC000095743079 384392729 /nfs/dbraw/zinc/39/27/29/384392729.db2.gz JSUVVSXSEJHJRL-UHFFFAOYSA-N 1 0 226.320 1.796 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000095742862 384393492 /nfs/dbraw/zinc/39/34/92/384393492.db2.gz PIFXVPWOUHXSLO-DTWKUNHWSA-N 1 0 214.309 1.639 50 0 BDAARO COC(=O)c1cccc(O[C@H]2CC[NH2+]C2)c1 ZINC000014632187 384398749 /nfs/dbraw/zinc/39/87/49/384398749.db2.gz LADDVOFIZGVTHO-NSHDSACASA-N 1 0 221.256 1.214 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000084498414 384403047 /nfs/dbraw/zinc/40/30/47/384403047.db2.gz FUIDFDHBHLPZRW-VIFPVBQESA-N 1 0 224.329 1.111 50 0 BDAARO CCN(CC)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000095864184 384403319 /nfs/dbraw/zinc/40/33/19/384403319.db2.gz KPELKXJLJANTNR-LLVKDONJSA-N 1 0 206.289 1.555 50 0 BDAARO Cc1nc(-c2nc3c(c(=O)[nH]2)CC[NH2+]C3)cs1 ZINC000077457303 384407078 /nfs/dbraw/zinc/40/70/78/384407078.db2.gz PHASKEGCZFUGCS-UHFFFAOYSA-N 1 0 248.311 1.260 50 0 BDAARO FC1(F)CCC[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000306212063 384416726 /nfs/dbraw/zinc/41/67/26/384416726.db2.gz JZBINXAXUOQSPQ-BDAKNGLRSA-N 1 0 205.248 1.943 50 0 BDAARO c1cn(Cc2cscn2)c([C@H]2CCC[NH2+]C2)n1 ZINC000096032255 384421003 /nfs/dbraw/zinc/42/10/03/384421003.db2.gz FMVLRUKPJYLFKK-JTQLQIEISA-N 1 0 248.355 1.855 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000013858459 384376162 /nfs/dbraw/zinc/37/61/62/384376162.db2.gz WTTIEVRVCBIEQJ-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+][C@H]2C(C)(C)C1 ZINC000095630804 384385991 /nfs/dbraw/zinc/38/59/91/384385991.db2.gz JHFGTUJMJRBKRC-NXEZZACHSA-N 1 0 240.347 1.851 50 0 BDAARO C[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)C1CC1 ZINC000097228950 384451388 /nfs/dbraw/zinc/45/13/88/384451388.db2.gz UBKNSRYAFRWGFS-JTQLQIEISA-N 1 0 244.338 1.397 50 0 BDAARO CC1(C)C[C@@H]([NH2+]C2CCC(O)CC2)CO1 ZINC000335658466 384455822 /nfs/dbraw/zinc/45/58/22/384455822.db2.gz XUXFMZVGIRJGIQ-HSOILSAZSA-N 1 0 213.321 1.447 50 0 BDAARO COC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000078210736 384433918 /nfs/dbraw/zinc/43/39/18/384433918.db2.gz CMWWHIMPISTSBA-JTQLQIEISA-N 1 0 207.273 1.886 50 0 BDAARO Cc1nsc(NC(=O)[C@@]2(C)CCC[NH2+]C2)n1 ZINC000097234142 384461882 /nfs/dbraw/zinc/46/18/82/384461882.db2.gz NNNPWSCGIVOEGR-JTQLQIEISA-N 1 0 240.332 1.175 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000238038581 384470007 /nfs/dbraw/zinc/47/00/07/384470007.db2.gz FVJRGVZTHWKIQJ-OLZOCXBDSA-N 1 0 247.342 1.026 50 0 BDAARO O=C(C1CC[NH2+]CC1)N1CCc2ccccc21 ZINC000016941876 384473632 /nfs/dbraw/zinc/47/36/32/384473632.db2.gz UYBZXBRGQLFCDC-UHFFFAOYSA-N 1 0 230.311 1.575 50 0 BDAARO c1cncc(-c2noc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000019089668 384509758 /nfs/dbraw/zinc/50/97/58/384509758.db2.gz WJABBJUGFLNJQT-JTQLQIEISA-N 1 0 230.271 1.599 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(OCC[NH3+])CC1 ZINC000079390627 384493370 /nfs/dbraw/zinc/49/33/70/384493370.db2.gz HWYXXBGXZMDWCZ-UHFFFAOYSA-N 1 0 244.335 1.361 50 0 BDAARO Cc1ccc([C@@H](C[NH3+])N2CCOCC2)cc1 ZINC000019735752 384534300 /nfs/dbraw/zinc/53/43/00/384534300.db2.gz VXNXXWMQOBCFNG-CYBMUJFWSA-N 1 0 220.316 1.327 50 0 BDAARO Cc1nc(C)c(C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)o1 ZINC000097425620 384517960 /nfs/dbraw/zinc/51/79/60/384517960.db2.gz AVCIQOLBEIAUEA-WDEREUQCSA-N 1 0 249.314 1.115 50 0 BDAARO CCc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000019410739 384523137 /nfs/dbraw/zinc/52/31/37/384523137.db2.gz KQZCGABKDTUGOI-GFCCVEGCSA-N 1 0 218.300 1.940 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1 ZINC000019471541 384525513 /nfs/dbraw/zinc/52/55/13/384525513.db2.gz APGFMIYGVANCND-LLVKDONJSA-N 1 0 206.289 1.286 50 0 BDAARO [NH3+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000019484974 384526452 /nfs/dbraw/zinc/52/64/52/384526452.db2.gz VXQNZOAYORCEEM-UHFFFAOYSA-N 1 0 207.664 1.984 50 0 BDAARO Cc1nc(-c2cncnc2[C@@H]2CCC[NH2+]C2)no1 ZINC000019695373 384530971 /nfs/dbraw/zinc/53/09/71/384530971.db2.gz KWBUKJPAJVYZRR-SECBINFHSA-N 1 0 245.286 1.302 50 0 BDAARO c1cnc2n[nH]c(C3CC[NH2+]CC3)c2c1 ZINC000019685972 384531179 /nfs/dbraw/zinc/53/11/79/384531179.db2.gz RFFBPMQRXQWYEJ-UHFFFAOYSA-N 1 0 202.261 1.425 50 0 BDAARO CN(C)c1ccc(C2CC[NH2+]CC2)nc1 ZINC000019686592 384532161 /nfs/dbraw/zinc/53/21/61/384532161.db2.gz VRADVBXICPPRCK-UHFFFAOYSA-N 1 0 205.305 1.615 50 0 BDAARO C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O ZINC000049647564 384553312 /nfs/dbraw/zinc/55/33/12/384553312.db2.gz ODKNMKPCCBAERN-NSHDSACASA-N 1 0 204.273 1.007 50 0 BDAARO [NH3+][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000049648335 384554091 /nfs/dbraw/zinc/55/40/91/384554091.db2.gz ADMDDEDHCSXWCJ-SECBINFHSA-N 1 0 210.664 1.404 50 0 BDAARO CCc1ccc([C@H](C[NH3+])N2CCOCC2)cc1 ZINC000019796038 384540063 /nfs/dbraw/zinc/54/00/63/384540063.db2.gz BVXQIQGMNYWIPW-AWEZNQCLSA-N 1 0 234.343 1.581 50 0 BDAARO O=C(CC1CC[NH2+]CC1)NCc1ccccc1 ZINC000019801979 384541715 /nfs/dbraw/zinc/54/17/15/384541715.db2.gz DNKVXHHXDVPLPG-UHFFFAOYSA-N 1 0 232.327 1.693 50 0 BDAARO O=C(CC1CCCC1)N1CCC[NH2+]CC1 ZINC000020281900 384610124 /nfs/dbraw/zinc/61/01/24/384610124.db2.gz NSKDECCUVVOBLU-UHFFFAOYSA-N 1 0 210.321 1.389 50 0 BDAARO Cc1cnn(CC[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000123996461 384599470 /nfs/dbraw/zinc/59/94/70/384599470.db2.gz ZARRNSJIOOSWBP-NSHDSACASA-N 1 0 233.319 1.276 50 0 BDAARO Cc1ccnc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000051332206 384665239 /nfs/dbraw/zinc/66/52/39/384665239.db2.gz GDPGVFXOWMFOIO-VIFPVBQESA-N 1 0 209.318 1.629 50 0 BDAARO Cc1ccnc(SC[C@H]2CCC[NH2+]C2)n1 ZINC000051332216 384665504 /nfs/dbraw/zinc/66/55/04/384665504.db2.gz ONIKRRZVOHOCIE-JTQLQIEISA-N 1 0 223.345 1.877 50 0 BDAARO [NH3+]Cc1nccn1CCCc1ccccc1 ZINC000051003995 384654655 /nfs/dbraw/zinc/65/46/55/384654655.db2.gz MYRFLAURLODWBD-UHFFFAOYSA-N 1 0 215.300 1.975 50 0 BDAARO Cc1csc(S[C@@H]2CC[NH2+]C2)n1 ZINC000051784006 384685548 /nfs/dbraw/zinc/68/55/48/384685548.db2.gz NRXSDJAADNHNSB-SSDOTTSWSA-N 1 0 200.332 1.906 50 0 BDAARO CO[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1cnc(C)n1C)C2 ZINC000101990120 384695096 /nfs/dbraw/zinc/69/50/96/384695096.db2.gz YSZILKJILNZVLK-IMRBUKKESA-N 1 0 249.358 1.585 50 0 BDAARO CC(=O)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC000082952489 384730863 /nfs/dbraw/zinc/73/08/63/384730863.db2.gz DLVLRGKDKMWYFZ-LBPRGKRZSA-N 1 0 210.321 1.387 50 0 BDAARO [NH3+]C[C@H](c1ccc(F)cc1F)N1CCOCC1 ZINC000022170270 384740985 /nfs/dbraw/zinc/74/09/85/384740985.db2.gz HNBKRBNCOPFYKB-GFCCVEGCSA-N 1 0 242.269 1.297 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000044501643 384756302 /nfs/dbraw/zinc/75/63/02/384756302.db2.gz NFKVRSYKBWFTIP-VQNWOSHQSA-N 1 0 210.321 1.459 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]CC1(c2ccccc2)CC1 ZINC000084636695 384764822 /nfs/dbraw/zinc/76/48/22/384764822.db2.gz BUPQKIPWYAZKPM-LLVKDONJSA-N 1 0 232.327 1.572 50 0 BDAARO CC1(C(=O)NCc2ccc(F)cc2)C[NH2+]C1 ZINC000335006394 384769462 /nfs/dbraw/zinc/76/94/62/384769462.db2.gz DANQBJZMRHPDRN-UHFFFAOYSA-N 1 0 222.263 1.051 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccccc1 ZINC000085727080 384771955 /nfs/dbraw/zinc/77/19/55/384771955.db2.gz WMBYWJVOFMWFNQ-CMPLNLGQSA-N 1 0 218.300 1.557 50 0 BDAARO C[C@@H]([NH3+])c1ccc(N2CCNC2=O)cc1 ZINC000083684233 384790856 /nfs/dbraw/zinc/79/08/56/384790856.db2.gz UDTMKONXEDVPDH-MRVPVSSYSA-N 1 0 205.261 1.236 50 0 BDAARO CC(C)(C)CN1CCC[C@@]2(CC[NH2+]C2)C1=O ZINC000072152710 384793023 /nfs/dbraw/zinc/79/30/23/384793023.db2.gz QCVJFCWSLBWABF-ZDUSSCGKSA-N 1 0 224.348 1.635 50 0 BDAARO COc1cccc(N2C(=O)CNC[C@@H]2C)c1 ZINC000084492886 384872761 /nfs/dbraw/zinc/87/27/61/384872761.db2.gz FOXMDTAHWFWJSK-VIFPVBQESA-N 1 0 220.272 1.020 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000084225101 384850816 /nfs/dbraw/zinc/85/08/16/384850816.db2.gz XMNLSMUWYYKSRJ-WDEREUQCSA-N 1 0 240.347 1.853 50 0 BDAARO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCCCC1 ZINC000032797114 384851412 /nfs/dbraw/zinc/85/14/12/384851412.db2.gz ZKPZNDLBPNSEHV-JTQLQIEISA-N 1 0 212.337 1.776 50 0 BDAARO C[C@H]1C[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1 ZINC000084237601 384853277 /nfs/dbraw/zinc/85/32/77/384853277.db2.gz CNALVHVMBXLLIY-RKDXNWHRSA-N 1 0 214.309 1.509 50 0 BDAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH3+] ZINC000054962613 384861299 /nfs/dbraw/zinc/86/12/99/384861299.db2.gz WXDZIZHKEDYNPU-QMMMGPOBSA-N 1 0 214.272 1.867 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH3+] ZINC000057219287 384935559 /nfs/dbraw/zinc/93/55/59/384935559.db2.gz GTBJUDHXQLLKID-RKDXNWHRSA-N 1 0 214.309 1.639 50 0 BDAARO COCCn1c2cnccc2nc1[C@H]1CC[NH2+]C1 ZINC000085347879 384938281 /nfs/dbraw/zinc/93/82/81/384938281.db2.gz WORHLKPLVLIMSS-JTQLQIEISA-N 1 0 246.314 1.155 50 0 BDAARO C[NH+](C)CCCNCc1ccccc1F ZINC000057362389 384941840 /nfs/dbraw/zinc/94/18/40/384941840.db2.gz XXSQJRPPTRFIGY-UHFFFAOYSA-N 1 0 210.296 1.867 50 0 BDAARO COC(=O)c1cccc([C@H]2CCC[NH2+]C2)c1 ZINC000029245786 384986104 /nfs/dbraw/zinc/98/61/04/384986104.db2.gz OCJMUKWEGRGIEC-LBPRGKRZSA-N 1 0 219.284 1.940 50 0 BDAARO O=C(OC[C@H]1CCCC[NH2+]1)N1CCCCC1 ZINC000086229844 384997859 /nfs/dbraw/zinc/99/78/59/384997859.db2.gz NLCZXEHGQNMZJP-LLVKDONJSA-N 1 0 226.320 1.751 50 0 BDAARO COc1c(C[NH2+]C[C@@H]2CCCO2)c(C)nn1C ZINC000134094058 385018975 /nfs/dbraw/zinc/01/89/75/385018975.db2.gz PWUVEHNJNIVTJO-JTQLQIEISA-N 1 0 239.319 1.006 50 0 BDAARO O=C1OC2(CN1c1ccccc1)CC[NH2+]CC2 ZINC000059683241 385052134 /nfs/dbraw/zinc/05/21/34/385052134.db2.gz ZBIRMOGNCYIDGT-UHFFFAOYSA-N 1 0 232.283 1.765 50 0 BDAARO COC(=O)[C@H]1C[C@H]2C[C@H](C2(C)C)[C@@]1(C)[NH3+] ZINC000032098954 385131450 /nfs/dbraw/zinc/13/14/50/385131450.db2.gz UIZCHFQVEWSSEE-HAYRHPOISA-N 1 0 211.305 1.559 50 0 BDAARO Cn1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cn1 ZINC000336236158 385094434 /nfs/dbraw/zinc/09/44/34/385094434.db2.gz SZNRXCXVVWKZPX-LBPRGKRZSA-N 1 0 237.347 1.403 50 0 BDAARO C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000269061110 385186212 /nfs/dbraw/zinc/18/62/12/385186212.db2.gz KHRRBQVDIKCTEE-WCQYABFASA-N 1 0 232.327 1.425 50 0 BDAARO COC(=O)c1ccc(NCC2CC[NH2+]CC2)nc1 ZINC000032511593 385168923 /nfs/dbraw/zinc/16/89/23/385168923.db2.gz RJQJWFZYEMOYBB-UHFFFAOYSA-N 1 0 249.314 1.280 50 0 BDAARO CN(Cc1cccc(F)c1)C(=O)n1cc[n+](C)c1 ZINC000032628663 385176173 /nfs/dbraw/zinc/17/61/73/385176173.db2.gz GTKUVUFADXISGB-UHFFFAOYSA-N 1 0 248.281 1.552 50 0 BDAARO Cc1[nH]ccc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000530936993 385180237 /nfs/dbraw/zinc/18/02/37/385180237.db2.gz FFDHXQFEXQGIQH-GFCCVEGCSA-N 1 0 249.358 1.783 50 0 BDAARO c1cnc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000063084491 385208683 /nfs/dbraw/zinc/20/86/83/385208683.db2.gz TYEIYXMVYBWDHH-SECBINFHSA-N 1 0 245.286 1.069 50 0 BDAARO CC(C)[NH+]1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000110128458 385215185 /nfs/dbraw/zinc/21/51/85/385215185.db2.gz JVQNRBOAALPMHI-UHFFFAOYSA-N 1 0 246.358 1.884 50 0 BDAARO C[NH+](C)CCNc1ncnc2ccccc21 ZINC000000118541 385229417 /nfs/dbraw/zinc/22/94/17/385229417.db2.gz YTGHVUIQNDNPCX-UHFFFAOYSA-N 1 0 216.288 1.603 50 0 BDAARO C[C@@H](CCN(C)Cc1ncc[nH]1)[NH+]1CCCC1 ZINC000065417255 385308062 /nfs/dbraw/zinc/30/80/62/385308062.db2.gz KXKVQOTXEDMKCF-LBPRGKRZSA-N 1 0 236.363 1.716 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)Nc1cccnc1 ZINC000019506309 385270226 /nfs/dbraw/zinc/27/02/26/385270226.db2.gz AVWVIJOKCTVMSJ-JTQLQIEISA-N 1 0 207.277 1.394 50 0 BDAARO Cc1ccc(F)cc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000062664893 385477653 /nfs/dbraw/zinc/47/76/53/385477653.db2.gz LDXXDLRMJULIJQ-LLVKDONJSA-N 1 0 236.290 1.616 50 0 BDAARO Cc1c[nH+]ccc1N1CCCO[C@@H](CF)C1 ZINC000334722108 385798231 /nfs/dbraw/zinc/79/82/31/385798231.db2.gz BDFRWCLSRPGYBR-NSHDSACASA-N 1 0 224.279 1.955 50 0 BDAARO FC(F)(F)c1ccnc([C@@H]2CCC[NH2+]2)n1 ZINC000057354335 385930310 /nfs/dbraw/zinc/93/03/10/385930310.db2.gz UYXOJZURHVPGSE-LURJTMIESA-N 1 0 217.194 1.920 50 0 BDAARO CC(C)COC(=O)N1[C@H](C)C[C@H]2C[NH2+]C[C@H]21 ZINC000216241655 385863690 /nfs/dbraw/zinc/86/36/90/385863690.db2.gz RYIGOQFWMTVKTB-OUAUKWLOSA-N 1 0 226.320 1.461 50 0 BDAARO C[C@H](CNN[C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773088 385938917 /nfs/dbraw/zinc/93/89/17/385938917.db2.gz AMWQKRZOKPAZHA-KGLIPLIRSA-N 1 0 249.402 1.910 50 0 BDAARO COC(=O)c1cnc([C@H](N)CC(C)C)o1 ZINC000263619733 386155616 /nfs/dbraw/zinc/15/56/16/386155616.db2.gz OOOYBDVLQRINGT-SSDOTTSWSA-N 1 0 212.249 1.507 50 0 BDAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)on1 ZINC000044941817 386358108 /nfs/dbraw/zinc/35/81/08/386358108.db2.gz KLPOECFXQIGEOI-GHMZBOCLSA-N 1 0 249.314 1.340 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)Cc2cccc(Cl)c2)C1 ZINC000052945330 386437027 /nfs/dbraw/zinc/43/70/27/386437027.db2.gz AYPSTONLESTKPI-LLVKDONJSA-N 1 0 238.718 1.442 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000238117058 386444999 /nfs/dbraw/zinc/44/49/99/386444999.db2.gz SENOIERVHIUDCX-HRDYMLBCSA-N 1 0 212.293 1.404 50 0 BDAARO C/C=C(\C)C(=O)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000299770729 386489441 /nfs/dbraw/zinc/48/94/41/386489441.db2.gz QRSRSRLUPCRWCK-IPANGIIDSA-N 1 0 222.332 1.553 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccccc3F)C[C@@H]12 ZINC000185107833 386985118 /nfs/dbraw/zinc/98/51/18/386985118.db2.gz WQCDREVBENQVAS-UFGOTCBOSA-N 1 0 248.301 1.635 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C)n2C)C1 ZINC000053202563 387018777 /nfs/dbraw/zinc/01/87/77/387018777.db2.gz HOLHVUBUUMRCLE-NSHDSACASA-N 1 0 235.331 1.158 50 0 BDAARO O=C(NCC[N@H+](CC1CC1)C1CC1)C1CCC1 ZINC000076264618 387451086 /nfs/dbraw/zinc/45/10/86/387451086.db2.gz ZLDDVXWVVJZNET-UHFFFAOYSA-N 1 0 236.359 1.777 50 0 BDAARO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(F)c1 ZINC000090850333 387455836 /nfs/dbraw/zinc/45/58/36/387455836.db2.gz OAYHVXMGEMTWRT-GWCFXTLKSA-N 1 0 239.290 1.628 50 0 BDAARO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000089106225 387523095 /nfs/dbraw/zinc/52/30/95/387523095.db2.gz OWQWRQUAHFAPOP-CHWSQXEVSA-N 1 0 232.327 1.934 50 0 BDAARO CC/C=C(/C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000132971537 387477570 /nfs/dbraw/zinc/47/75/70/387477570.db2.gz VAJJIVLAFMLAOW-YAEJEKNGSA-N 1 0 210.321 1.553 50 0 BDAARO OC[C@@]1(F)CCC[N@H+](CC2CCC2)C1 ZINC000334890791 387491184 /nfs/dbraw/zinc/49/11/84/387491184.db2.gz NKQZUJIJOTVIRH-LLVKDONJSA-N 1 0 201.285 1.583 50 0 BDAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000041579917 387603765 /nfs/dbraw/zinc/60/37/65/387603765.db2.gz MIDHUCAZYJONRD-JTQLQIEISA-N 1 0 210.277 1.248 50 0 BDAARO Cc1nc(CN2CC[C@H]([NH3+])C[C@H]2C)n(C)c1C ZINC000426510564 387576025 /nfs/dbraw/zinc/57/60/25/387576025.db2.gz BUDMDGJDPMXTPI-SKDRFNHKSA-N 1 0 236.363 1.349 50 0 BDAARO C[S@@](=O)CC[NH2+]Cc1c(F)cccc1Cl ZINC000089493099 387639054 /nfs/dbraw/zinc/63/90/54/387639054.db2.gz LLMWUIQWQPZPCO-HNNXBMFYSA-N 1 0 249.738 1.947 50 0 BDAARO CCc1nsc(NCC[NH2+]C(CC)CC)n1 ZINC000521398572 387925835 /nfs/dbraw/zinc/92/58/35/387925835.db2.gz QLGPUQCNEKVCEU-UHFFFAOYSA-N 1 0 242.392 1.713 50 0 BDAARO C[C@@]1(Cc2ccc(O)cc2)[NH2+]CCc2nc[nH]c21 ZINC000065465803 387974817 /nfs/dbraw/zinc/97/48/17/387974817.db2.gz KBXPKWVWOSQYCH-AWEZNQCLSA-N 1 0 243.310 1.719 50 0 BDAARO c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)n[nH]1 ZINC000613208859 388009443 /nfs/dbraw/zinc/00/94/43/388009443.db2.gz NDQGTQAZYBMLRR-VXGBXAGGSA-N 1 0 235.331 1.626 50 0 BDAARO COC[C@@H](C)[NH2+]CCNc1cc(C)ccn1 ZINC000065493092 388015782 /nfs/dbraw/zinc/01/57/82/388015782.db2.gz XTPUHUOZEAHESK-LLVKDONJSA-N 1 0 223.320 1.426 50 0 BDAARO C[N@H+](CCO)C[C@@H](O)c1ccccc1Cl ZINC000071812639 388116729 /nfs/dbraw/zinc/11/67/29/388116729.db2.gz WOJWVKCZKRLWJH-LLVKDONJSA-N 1 0 229.707 1.298 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ccsc3)C[C@@H]12 ZINC000170078276 388257718 /nfs/dbraw/zinc/25/77/18/388257718.db2.gz NYPKXPQXBNXWNH-JMJZKYOTSA-N 1 0 236.340 1.557 50 0 BDAARO CC[C@@H](C(=O)[O-])[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000251237626 388274379 /nfs/dbraw/zinc/27/43/79/388274379.db2.gz SBMAMAJQSPFQOX-NEPJUHHUSA-N 1 0 242.363 1.656 50 0 BDAARO C[NH+]1CCC(NC(=O)NCc2ccco2)CC1 ZINC000057770109 388368511 /nfs/dbraw/zinc/36/85/11/388368511.db2.gz RIRCIJQHZXGOOG-UHFFFAOYSA-N 1 0 237.303 1.173 50 0 BDAARO CSCC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000089911056 388372326 /nfs/dbraw/zinc/37/23/26/388372326.db2.gz XDXPAGSZWGUTCT-LBPRGKRZSA-N 1 0 238.356 1.340 50 0 BDAARO [NH3+]CCc1cn2cc(Br)ccc2n1 ZINC000011569904 388392543 /nfs/dbraw/zinc/39/25/43/388392543.db2.gz HBOBAWMJIHVRRM-UHFFFAOYSA-N 1 0 240.104 1.598 50 0 BDAARO CCC([NH3+])(CC)c1nc(C(C)C)cc(=O)[nH]1 ZINC000070948654 388441500 /nfs/dbraw/zinc/44/15/00/388441500.db2.gz DGGMQMUNHNUBBK-UHFFFAOYSA-N 1 0 223.320 1.867 50 0 BDAARO Cc1cc(C)n(C[C@]2(C)[NH2+]CCc3nc[nH]c32)n1 ZINC000067841953 388407756 /nfs/dbraw/zinc/40/77/56/388407756.db2.gz PQCQZQBQKMCVTN-ZDUSSCGKSA-N 1 0 245.330 1.284 50 0 BDAARO c1coc(-c2nc(CN[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000067920477 388408445 /nfs/dbraw/zinc/40/84/45/388408445.db2.gz IGCQWEKEFGCERO-SECBINFHSA-N 1 0 248.286 1.171 50 0 BDAARO CC[C@H]1C[N@H+](CCOC(C)(C)C)CCO1 ZINC000068322415 388409808 /nfs/dbraw/zinc/40/98/08/388409808.db2.gz WRHSDDORSOJUAW-NSHDSACASA-N 1 0 215.337 1.912 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069512857 388418831 /nfs/dbraw/zinc/41/88/31/388418831.db2.gz DCDJUANTMBJFLG-SNVBAGLBSA-N 1 0 219.292 1.093 50 0 BDAARO Cc1cc(CN2CCC[C@H]2Cn2cccn2)no1 ZINC000069769222 388426697 /nfs/dbraw/zinc/42/66/97/388426697.db2.gz XIYUHCPCQKMWFQ-ZDUSSCGKSA-N 1 0 246.314 1.844 50 0 BDAARO CCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000069814229 388427744 /nfs/dbraw/zinc/42/77/44/388427744.db2.gz AVRZPWRFDCBTSZ-LLVKDONJSA-N 1 0 200.326 1.049 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N1CCOC2(CCCC2)C1 ZINC000195554387 388482724 /nfs/dbraw/zinc/48/27/24/388482724.db2.gz MYDXUVUGKDXZHM-NSHDSACASA-N 1 0 240.347 1.141 50 0 BDAARO C[NH2+]CC(=O)N[C@@H](C)c1ccc(F)c(OC)c1 ZINC000253430662 388592728 /nfs/dbraw/zinc/59/27/28/388592728.db2.gz XMEAEPJALKYKPK-QMMMGPOBSA-N 1 0 240.278 1.231 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000237454290 388596089 /nfs/dbraw/zinc/59/60/89/388596089.db2.gz CCLDGRZIKCKSKL-GHMZBOCLSA-N 1 0 247.342 1.201 50 0 BDAARO Cc1[nH]ccc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237713487 388596128 /nfs/dbraw/zinc/59/61/28/388596128.db2.gz CNPYCQVNYIKWNX-CABZTGNLSA-N 1 0 235.331 1.523 50 0 BDAARO Cc1ccc(C)c(C[NH2+]CC2(O)CCOCC2)c1 ZINC000112717083 388669187 /nfs/dbraw/zinc/66/91/87/388669187.db2.gz MTBXIAFNLSVNFS-UHFFFAOYSA-N 1 0 249.354 1.935 50 0 BDAARO Cc1cc(C)cc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000111366229 388659752 /nfs/dbraw/zinc/65/97/52/388659752.db2.gz DRAZIHJOAKKWNH-ZDUSSCGKSA-N 1 0 232.327 1.867 50 0 BDAARO Cn1nccc1C[N@H+](C)CCCCCF ZINC000330032629 388752204 /nfs/dbraw/zinc/75/22/04/388752204.db2.gz QALRIAYVQNSIMX-UHFFFAOYSA-N 1 0 213.300 1.992 50 0 BDAARO C[NH+](C)C[C@H]1CN(CCCCCF)CCO1 ZINC000225466253 388709659 /nfs/dbraw/zinc/70/96/59/388709659.db2.gz SUCAPKHJVSLZGO-LBPRGKRZSA-N 1 0 232.343 1.389 50 0 BDAARO CN(C[C@H]1CCOC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000225485101 388717947 /nfs/dbraw/zinc/71/79/47/388717947.db2.gz RYWXNYHJXBDBFY-YPMHNXCESA-N 1 0 248.326 1.181 50 0 BDAARO COc1cc(F)cc(NC(=O)C2([NH3+])CC2)c1 ZINC000095971680 388797235 /nfs/dbraw/zinc/79/72/35/388797235.db2.gz CVEHFPBDDBJLEA-UHFFFAOYSA-N 1 0 224.235 1.264 50 0 BDAARO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)CO ZINC000095987965 388797914 /nfs/dbraw/zinc/79/79/14/388797914.db2.gz LKRFGQWJECYRMS-GARJFASQSA-N 1 0 215.337 1.551 50 0 BDAARO C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)n1cccc1 ZINC000096004698 388802240 /nfs/dbraw/zinc/80/22/40/388802240.db2.gz CXZBEOXRJWEUES-QWHCGFSZSA-N 1 0 249.358 1.459 50 0 BDAARO CC(C)C(=O)N1CC[C@@H]([NH2+]CC2CC2)[C@H](C)C1 ZINC000095402499 388766192 /nfs/dbraw/zinc/76/61/92/388766192.db2.gz UFKZREJRNBWRPL-DGCLKSJQSA-N 1 0 238.375 1.879 50 0 BDAARO Cc1ccc(C[NH2+][C@H](C)CN2CCOC2=O)nc1 ZINC000095416709 388767653 /nfs/dbraw/zinc/76/76/53/388767653.db2.gz OAOQSZYTKRLWAH-LLVKDONJSA-N 1 0 249.314 1.320 50 0 BDAARO C[C@@H](CSC(C)(C)C)[NH2+]Cc1nncn1C ZINC000095420202 388769981 /nfs/dbraw/zinc/76/99/81/388769981.db2.gz PIRVKCOGBQGDLL-VIFPVBQESA-N 1 0 242.392 1.825 50 0 BDAARO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccnc1 ZINC000095427026 388770030 /nfs/dbraw/zinc/77/00/30/388770030.db2.gz FQCKFMWFBFXXDF-SECBINFHSA-N 1 0 216.288 1.964 50 0 BDAARO CC(C)CSCCC[N@@H+]1CCNC(=O)CC1 ZINC000095433756 388770873 /nfs/dbraw/zinc/77/08/73/388770873.db2.gz UVMXTWLXSISYAR-UHFFFAOYSA-N 1 0 244.404 1.588 50 0 BDAARO Clc1ccccc1CNC1=[NH+]CCCN1 ZINC000252479861 388843566 /nfs/dbraw/zinc/84/35/66/388843566.db2.gz BODQHQGPOZBKQF-UHFFFAOYSA-N 1 0 223.707 1.779 50 0 BDAARO CC[NH+](CC)CCCN(C)c1ncc(F)cn1 ZINC000096483227 388820232 /nfs/dbraw/zinc/82/02/32/388820232.db2.gz IFGGNRCGTDPEPJ-UHFFFAOYSA-N 1 0 240.326 1.784 50 0 BDAARO CC(C)[N@H+](C)CC(=O)Nc1ccc(O)cc1F ZINC000097236977 388835708 /nfs/dbraw/zinc/83/57/08/388835708.db2.gz PPKARTUPLRTSLE-UHFFFAOYSA-N 1 0 240.278 1.810 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C[NH3+])C1 ZINC000076644051 388857721 /nfs/dbraw/zinc/85/77/21/388857721.db2.gz INOKOAOSLHGWOK-LDYMZIIASA-N 1 0 212.293 1.202 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000299752187 388846245 /nfs/dbraw/zinc/84/62/45/388846245.db2.gz STSITGIOZTXNJD-IUCAKERBSA-N 1 0 236.290 1.619 50 0 BDAARO [NH3+]C1CCN(c2cccc(Cl)n2)CC1 ZINC000002383344 132314806 /nfs/dbraw/zinc/31/48/06/132314806.db2.gz WPVVMKYQOMJPIN-UHFFFAOYSA-N 1 0 211.696 1.663 50 0 investigational BDAARO Brc1ccc(N2CC[NH2+]CC2)nc1 ZINC000002527245 132315050 /nfs/dbraw/zinc/31/50/50/132315050.db2.gz UBJBNGGYLBVCJF-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO CC[NH+]1CCN(c2ccc(N)c(C)c2)CC1 ZINC000003888038 132315789 /nfs/dbraw/zinc/31/57/89/132315789.db2.gz SEEYACQTZCXLSD-UHFFFAOYSA-N 1 0 219.332 1.719 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000019427569 132324864 /nfs/dbraw/zinc/32/48/64/132324864.db2.gz GNDXQBHLXRYMBR-CYBMUJFWSA-N 1 0 232.327 1.949 50 0 BDAARO C[C@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000021955936 132332034 /nfs/dbraw/zinc/33/20/34/132332034.db2.gz PHOFXXBRPMHMMA-JTQLQIEISA-N 1 0 205.305 1.919 50 0 BDAARO CC[NH+]1CCN(c2ncnc3onc(C)c32)CC1 ZINC000021531583 132332111 /nfs/dbraw/zinc/33/21/11/132332111.db2.gz HPQTVJQJVIGMRR-UHFFFAOYSA-N 1 0 247.302 1.068 50 0 BDAARO c1ccc2ncc(N3CC[NH2+]CC3)cc2c1 ZINC000036405160 132342154 /nfs/dbraw/zinc/34/21/54/132342154.db2.gz JUKFOUZZIYONGL-UHFFFAOYSA-N 1 0 213.284 1.644 50 0 BDAARO COCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000040477268 132347857 /nfs/dbraw/zinc/34/78/57/132347857.db2.gz ULWRUWWDZCGNSY-UHFFFAOYSA-N 1 0 238.306 1.594 50 0 BDAARO CC(C)(C)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000040464822 132347953 /nfs/dbraw/zinc/34/79/53/132347953.db2.gz YKKNIMATBXFWPH-UHFFFAOYSA-N 1 0 247.342 1.776 50 0 BDAARO CC[NH+]1CCN(c2cc(Cl)ncn2)CC1 ZINC000048631163 132355625 /nfs/dbraw/zinc/35/56/25/132355625.db2.gz GCIDIZXVXRZWNZ-UHFFFAOYSA-N 1 0 226.711 1.272 50 0 BDAARO Cc1ccc(N2CCN(CCC[NH3+])CC2)c(C)c1 ZINC000065335455 132389321 /nfs/dbraw/zinc/38/93/21/132389321.db2.gz UNZAPNPQNORXMX-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO c1cnnc(N2CCC[C@@H]([NH2+]CC3CC3)C2)c1 ZINC000069807946 132391334 /nfs/dbraw/zinc/39/13/34/132391334.db2.gz WERBDHYMCBRGOY-GFCCVEGCSA-N 1 0 232.331 1.445 50 0 BDAARO COC(=O)CCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000227155446 134376336 /nfs/dbraw/zinc/37/63/36/134376336.db2.gz QLVOZDAMDXCEMB-NEPJUHHUSA-N 1 0 241.331 1.583 50 0 BDAARO Cc1nsc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)n1 ZINC000408518492 134811319 /nfs/dbraw/zinc/81/13/19/134811319.db2.gz KPHBZVNQNSLBPE-IONNQARKSA-N 1 0 226.349 1.375 50 0 BDAARO Cc1occc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000334415825 135395112 /nfs/dbraw/zinc/39/51/12/135395112.db2.gz NMYFZTCRZMSXIF-OLZOCXBDSA-N 1 0 248.326 1.945 50 0 BDAARO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cncc(F)c1 ZINC000335179677 135934206 /nfs/dbraw/zinc/93/42/06/135934206.db2.gz XLKAMVQUUGBZAE-RQJHMYQMSA-N 1 0 226.255 1.078 50 0 BDAARO C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CN(C)CCO1 ZINC000097371046 397928923 /nfs/dbraw/zinc/92/89/23/397928923.db2.gz KNWZWXIIIKKQEL-TUAOUCFPSA-N 1 0 244.404 1.191 50 0 BDAARO CCC(CC)CNC(=O)C[NH2+]CC1CC1 ZINC000157962462 397938815 /nfs/dbraw/zinc/93/88/15/397938815.db2.gz FGWYGJJIBWJYJM-UHFFFAOYSA-N 1 0 212.337 1.538 50 0 BDAARO CC[N@H+](CCNC(=O)NC1CCCC1)C1CC1 ZINC000065626534 397992510 /nfs/dbraw/zinc/99/25/10/397992510.db2.gz KZWKFTKLUYHZFS-UHFFFAOYSA-N 1 0 239.363 1.713 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CCN1CCCCC1 ZINC000042351581 398014079 /nfs/dbraw/zinc/01/40/79/398014079.db2.gz RLHXGOSGHNMZBZ-UHFFFAOYSA-N 1 0 236.363 1.602 50 0 BDAARO [NH3+]Cc1cnc(Nc2ccccc2)nc1 ZINC000034936266 398018062 /nfs/dbraw/zinc/01/80/62/398018062.db2.gz IGMKIKUXMJLMOP-UHFFFAOYSA-N 1 0 200.245 1.679 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000022141817 397972354 /nfs/dbraw/zinc/97/23/54/397972354.db2.gz IMKYISLDWMQDCK-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO Fc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000083420605 398067726 /nfs/dbraw/zinc/06/77/26/398067726.db2.gz ZNVQGXYIBFGWIT-LLVKDONJSA-N 1 0 235.306 1.895 50 0 BDAARO CC[N@@H+]1CCN(c2cc(Cl)ncn2)[C@@H](C)C1 ZINC000216695516 398093377 /nfs/dbraw/zinc/09/33/77/398093377.db2.gz ALFIOFMDQPZFPD-VIFPVBQESA-N 1 0 240.738 1.660 50 0 BDAARO [NH3+]Cc1cccnc1OC1CCC(=O)CC1 ZINC000217431492 398096219 /nfs/dbraw/zinc/09/62/19/398096219.db2.gz ZQQIYCYTRYZITG-UHFFFAOYSA-N 1 0 220.272 1.431 50 0 BDAARO CC(C)COC(=O)N1CCC[NH2+]CC1 ZINC000019815553 167020394 /nfs/dbraw/zinc/02/03/94/167020394.db2.gz ZVOQTQAVQBWFSB-UHFFFAOYSA-N 1 0 200.282 1.074 50 0 BDAARO CC(C)OCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000097103541 167243511 /nfs/dbraw/zinc/24/35/11/167243511.db2.gz GMRBZZGAGXJJME-GHMZBOCLSA-N 1 0 228.336 1.045 50 0 BDAARO Brc1cncc([C@H]2C[NH2+]CCO2)c1 ZINC000237973968 166106588 /nfs/dbraw/zinc/10/65/88/166106588.db2.gz NLPNISKHBHOVIL-SECBINFHSA-N 1 0 243.104 1.505 50 0 BDAARO Cc1ccc(C)c(OCC[NH2+]CCO)c1 ZINC000002931617 487614469 /nfs/dbraw/zinc/61/44/69/487614469.db2.gz AQRGVCWYSFSTEM-UHFFFAOYSA-N 1 0 209.289 1.264 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@]1(F)CC[NH2+]C1 ZINC000095707780 166662944 /nfs/dbraw/zinc/66/29/44/166662944.db2.gz GPEHPMQIVVIUQX-SNVBAGLBSA-N 1 0 218.272 1.213 50 0 BDAARO CC(C)C[NH+]1CCN(c2nccs2)CC1 ZINC000058005431 166972843 /nfs/dbraw/zinc/97/28/43/166972843.db2.gz QINBNKKHWIFYPO-UHFFFAOYSA-N 1 0 225.361 1.921 50 0 BDAARO CC(C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000055278683 167081233 /nfs/dbraw/zinc/08/12/33/167081233.db2.gz APBKTHZSPNCTEN-NSHDSACASA-N 1 0 206.289 1.081 50 0 BDAARO CC(C)[NH2+]CCN[C@@H]1CCC[C@]1(C)CO ZINC000253393546 167106319 /nfs/dbraw/zinc/10/63/19/167106319.db2.gz HESKUXBLJCRNJM-VXGBXAGGSA-N 1 0 214.353 1.125 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)C[S@@](=O)c1ccccc1 ZINC000096027600 167111451 /nfs/dbraw/zinc/11/14/51/167111451.db2.gz ZLIQXOGPWGCZES-BZNIZROVSA-N 1 0 241.356 1.153 50 0 BDAARO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)[S@@](C)=O ZINC000108328728 411144421 /nfs/dbraw/zinc/14/44/21/411144421.db2.gz XWDYMQYLCFKLFC-RULNRJAQSA-N 1 0 217.378 1.922 50 0 BDAARO FC(F)(F)COCC[NH2+]CCn1cccn1 ZINC000049311082 411231027 /nfs/dbraw/zinc/23/10/27/411231027.db2.gz FAJMDFMCTWDQFC-UHFFFAOYSA-N 1 0 237.225 1.052 50 0 BDAARO CC/C=C(\C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000096256091 167831735 /nfs/dbraw/zinc/83/17/35/167831735.db2.gz WHPILNZMFZEPCN-WUXMJOGZSA-N 1 0 224.348 1.895 50 0 BDAARO CC1=C(C)[N+](=O)[C@@]2(O)CCCC[C@@]2(C)N1O ZINC000013133383 168087402 /nfs/dbraw/zinc/08/74/02/168087402.db2.gz UFRVCKXTIFWVNH-GHMZBOCLSA-N 1 0 227.284 1.743 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@]1(CO)CCOC1 ZINC000191114952 168103558 /nfs/dbraw/zinc/10/35/58/168103558.db2.gz OEKJLNAVXDTSLS-MJBXVCDLSA-N 1 0 239.359 1.720 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCNC(=O)CC1 ZINC000191065665 168103618 /nfs/dbraw/zinc/10/36/18/168103618.db2.gz AWZQQFPZPBDSLH-QWHCGFSZSA-N 1 0 236.359 1.801 50 0 BDAARO CC1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000002466157 168163180 /nfs/dbraw/zinc/16/31/80/168163180.db2.gz WSFIDUALVRQTDQ-UHFFFAOYSA-N 1 0 240.391 1.877 50 0 BDAARO CC1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000308824138 168176211 /nfs/dbraw/zinc/17/62/11/168176211.db2.gz HLHVVCXRWMKUHK-MRVPVSSYSA-N 1 0 220.263 1.227 50 0 BDAARO CC1CC[NH+](CCNC(=O)c2ccncc2)CC1 ZINC000044941583 168180762 /nfs/dbraw/zinc/18/07/62/168180762.db2.gz LAKWGXURRXPEJF-UHFFFAOYSA-N 1 0 247.342 1.543 50 0 BDAARO CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000005641874 168183362 /nfs/dbraw/zinc/18/33/62/168183362.db2.gz IOXQJHJWIFSYBZ-MRVPVSSYSA-N 1 0 211.227 1.642 50 0 BDAARO CCC(=O)N1CC[C@H]([NH2+]C2CCCC2)C1 ZINC000095416733 168223879 /nfs/dbraw/zinc/22/38/79/168223879.db2.gz DNOVFROSSCGSRI-NSHDSACASA-N 1 0 210.321 1.530 50 0 BDAARO CCC(=O)c1ccc(OCC[NH2+]C)cc1 ZINC000002844455 168256282 /nfs/dbraw/zinc/25/62/82/168256282.db2.gz MIERQGDFDNXLJW-UHFFFAOYSA-N 1 0 207.273 1.878 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000052136912 411399447 /nfs/dbraw/zinc/39/94/47/411399447.db2.gz HTKGWVRCNUISDD-CYBMUJFWSA-N 1 0 232.327 1.345 50 0 BDAARO NNc1nc(Nc2ccccc2)cc[nH+]1 ZINC000044845838 411497810 /nfs/dbraw/zinc/49/78/10/411497810.db2.gz UBCXWVKAAGNQOL-UHFFFAOYSA-N 1 0 201.233 1.506 50 0 BDAARO CC[N@@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000004812543 170024315 /nfs/dbraw/zinc/02/43/15/170024315.db2.gz AWGPWKGQRYIHJK-UHFFFAOYSA-N 1 0 228.299 1.645 50 0 BDAARO CC[NH2+]CC(=O)NCCc1c[nH]c2ccccc12 ZINC000044291233 170109930 /nfs/dbraw/zinc/10/99/30/170109930.db2.gz MRNKXAOISSBRKV-UHFFFAOYSA-N 1 0 245.326 1.436 50 0 BDAARO CC[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000019229928 170131460 /nfs/dbraw/zinc/13/14/60/170131460.db2.gz DDJPQVGLVUJLSQ-UHFFFAOYSA-N 1 0 203.245 1.033 50 0 BDAARO CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000071293119 170199437 /nfs/dbraw/zinc/19/94/37/170199437.db2.gz RAUPRMLHOYAQTD-GFCCVEGCSA-N 1 0 243.347 1.567 50 0 BDAARO CCOC(=O)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000021867007 170232571 /nfs/dbraw/zinc/23/25/71/170232571.db2.gz JNBDCWJGYVMSIN-LBPRGKRZSA-N 1 0 219.284 1.827 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc(F)cc1 ZINC000000127726 170233807 /nfs/dbraw/zinc/23/38/07/170233807.db2.gz SIHVBHFOAHJMHU-JTQLQIEISA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000069420497 170243256 /nfs/dbraw/zinc/24/32/56/170243256.db2.gz KHVVZBSVTGSRKB-SNVBAGLBSA-N 1 0 214.309 1.605 50 0 BDAARO CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000230273485 170271852 /nfs/dbraw/zinc/27/18/52/170271852.db2.gz RYEGYBYUSHFDAF-WCQYABFASA-N 1 0 243.347 1.829 50 0 BDAARO CCOC(=O)c1ccc(CN(C)CC[NH2+]C)o1 ZINC000097162675 170295867 /nfs/dbraw/zinc/29/58/67/170295867.db2.gz MNEZTHKGKRGNOH-UHFFFAOYSA-N 1 0 240.303 1.108 50 0 BDAARO CCOCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000003305599 170381031 /nfs/dbraw/zinc/38/10/31/170381031.db2.gz DBOVVCRJHWWLMX-ZDUSSCGKSA-N 1 0 223.316 1.736 50 0 BDAARO CC[C@H]([NH2+]Cc1nc(N)n[nH]1)C1CCCC1 ZINC000534587278 411885492 /nfs/dbraw/zinc/88/54/92/411885492.db2.gz JFHOAYCCNCJWBV-VIFPVBQESA-N 1 0 223.324 1.445 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccs1 ZINC000036871738 170863859 /nfs/dbraw/zinc/86/38/59/170863859.db2.gz ICBPNXNIIVHBPZ-HTQZYQBOSA-N 1 0 212.318 1.663 50 0 BDAARO CC[C@@H]1CN(CC=C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000072279718 171078174 /nfs/dbraw/zinc/07/81/74/171078174.db2.gz JCBPPCUWIIQAGL-ZIAGYGMSSA-N 1 0 240.391 1.730 50 0 BDAARO CC[C@@H]1C[N@H+](CCCOC)CCN1CCOC ZINC000069739242 171081225 /nfs/dbraw/zinc/08/12/25/171081225.db2.gz BGUVSBLPAUCDSZ-CYBMUJFWSA-N 1 0 244.379 1.066 50 0 BDAARO CC[C@@](C)([NH2+]Cc1cccc(C)c1)C(N)=O ZINC000096473694 171176372 /nfs/dbraw/zinc/17/63/72/171176372.db2.gz LRXUMUYRGZLYTP-CYBMUJFWSA-N 1 0 220.316 1.739 50 0 BDAARO CC[C@H](C(=O)Nc1cc(C)ccn1)[NH+](C)C ZINC000084718740 171234108 /nfs/dbraw/zinc/23/41/08/171234108.db2.gz CSNASPQSYAAEIN-SNVBAGLBSA-N 1 0 221.304 1.669 50 0 BDAARO NC(=O)c1ccc(NCC[C@@H]2CCCC[NH2+]2)nc1 ZINC000534673695 412295216 /nfs/dbraw/zinc/29/52/16/412295216.db2.gz RQAQLNBUSYFEHR-NSHDSACASA-N 1 0 248.330 1.125 50 0 BDAARO CCc1nc2cc(NC(=O)[C@H](C)[NH3+])ccc2o1 ZINC000037770431 172012092 /nfs/dbraw/zinc/01/20/92/172012092.db2.gz MYAUZRYHPVIMTP-ZETCQYMHSA-N 1 0 233.271 1.676 50 0 BDAARO CC[n+]1c(C)n(C)c2cc(C=O)ccc21 ZINC000003167977 172134668 /nfs/dbraw/zinc/13/46/68/172134668.db2.gz WKDRTBPSAOFHGA-UHFFFAOYSA-N 1 0 203.265 1.607 50 0 BDAARO CCn1c[n+](Cc2ccccc2C)cn1 ZINC000252488343 172148967 /nfs/dbraw/zinc/14/89/67/172148967.db2.gz IPOAWTRWOZVCIU-UHFFFAOYSA-N 1 0 202.281 1.547 50 0 BDAARO CCn1cc(C2CC[NH+](CCOC)CC2)cn1 ZINC000065463483 172157864 /nfs/dbraw/zinc/15/78/64/172157864.db2.gz GUDCCNRVNAGMOY-UHFFFAOYSA-N 1 0 237.347 1.729 50 0 BDAARO CN(C(=O)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000062112028 172328792 /nfs/dbraw/zinc/32/87/92/172328792.db2.gz VZIWWLIHHFDZEO-SNVBAGLBSA-N 1 0 204.273 1.259 50 0 BDAARO CN(C)C(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000042635109 172364326 /nfs/dbraw/zinc/36/43/26/172364326.db2.gz POQBUYGLBPKTIA-ZDUSSCGKSA-N 1 0 232.327 1.694 50 0 BDAARO C[NH+](C)CCCNC(=O)c1ccc2[nH]cnc2c1 ZINC000003344783 172439134 /nfs/dbraw/zinc/43/91/34/172439134.db2.gz ZXMDPUNXDSIVMV-UHFFFAOYSA-N 1 0 246.314 1.244 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(N)cc1Cl ZINC000020220867 172464274 /nfs/dbraw/zinc/46/42/74/172464274.db2.gz MDPZQLSUARJSFC-UHFFFAOYSA-N 1 0 241.722 1.214 50 0 BDAARO CN1C=CC(c2ccccc2)=C[C@H]([NH3+])C1=O ZINC000076914438 172974392 /nfs/dbraw/zinc/97/43/92/172974392.db2.gz XOPXUVCFZFAYJC-LBPRGKRZSA-N 1 0 214.268 1.383 50 0 BDAARO CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000023283069 173014498 /nfs/dbraw/zinc/01/44/98/173014498.db2.gz SKUADIXGHGETBY-UHFFFAOYSA-N 1 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212.337 1.491 50 0 BDAARO CNC(=O)C[C@@H](C)[N@H+](C)C1Cc2ccccc2C1 ZINC000065526302 173280259 /nfs/dbraw/zinc/28/02/59/173280259.db2.gz OWEBRXBSMJJITJ-LLVKDONJSA-N 1 0 246.354 1.610 50 0 BDAARO C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000063100400 173322970 /nfs/dbraw/zinc/32/29/70/173322970.db2.gz NIPQVFDTZJOSDG-UHFFFAOYSA-N 1 0 210.243 1.623 50 0 BDAARO C[NH2+]CC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1 ZINC000071764938 173325028 /nfs/dbraw/zinc/32/50/28/173325028.db2.gz CLKPGAWICZJHBO-UHFFFAOYSA-N 1 0 249.289 1.485 50 0 BDAARO C[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002619154 173334286 /nfs/dbraw/zinc/33/42/86/173334286.db2.gz OIRPHHWRQRBBSQ-UHFFFAOYSA-N 1 0 248.204 1.743 50 0 BDAARO C[NH2+]CCCNc1cc(=O)oc2ccccc12 ZINC000010313680 173349522 /nfs/dbraw/zinc/34/95/22/173349522.db2.gz CVXKDTCLALVTDK-UHFFFAOYSA-N 1 0 232.283 1.814 50 0 biogenic BDAARO C[NH2+]CCc1nc2cc(Cl)ccc2[nH]1 ZINC000019088948 173360909 /nfs/dbraw/zinc/36/09/09/173360909.db2.gz CVKOOZXYGXPISN-UHFFFAOYSA-N 1 0 209.680 1.978 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccccc1C ZINC000095427919 173363952 /nfs/dbraw/zinc/36/39/52/173363952.db2.gz OJEXVUPOLRGWOY-SNVBAGLBSA-N 1 0 220.316 1.580 50 0 BDAARO C[NH2+]Cc1cccc(NC(=O)c2ncoc2C)c1 ZINC000097019508 173389480 /nfs/dbraw/zinc/38/94/80/173389480.db2.gz WRKLMUBTDFKJJB-UHFFFAOYSA-N 1 0 245.282 1.955 50 0 BDAARO COCC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046949311 174050798 /nfs/dbraw/zinc/05/07/98/174050798.db2.gz BAEFPXVJECGWCR-GFCCVEGCSA-N 1 0 242.363 1.260 50 0 BDAARO COCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000013718349 174248083 /nfs/dbraw/zinc/24/80/83/174248083.db2.gz LJGNTPXJDGOXRO-UHFFFAOYSA-N 1 0 237.299 1.584 50 0 BDAARO COCCCn1c(C)cnc1[C@@H]1CC[NH2+]C1 ZINC000169676611 174266562 /nfs/dbraw/zinc/26/65/62/174266562.db2.gz USXXXOCIBNXVBX-LLVKDONJSA-N 1 0 223.320 1.305 50 0 BDAARO COCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC000004687081 174303614 /nfs/dbraw/zinc/30/36/14/174303614.db2.gz BPIVSDRLPPGKPW-QWRGUYRKSA-N 1 0 211.305 1.466 50 0 BDAARO COCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000026931644 174307954 /nfs/dbraw/zinc/30/79/54/174307954.db2.gz VMOFKUZZBVIEOA-ZDUSSCGKSA-N 1 0 248.326 1.736 50 0 BDAARO COCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000004687083 174316039 /nfs/dbraw/zinc/31/60/39/174316039.db2.gz AHGSGJBYLULRAA-SRVKXCTJSA-N 1 0 213.321 1.258 50 0 BDAARO COCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005019900 174336201 /nfs/dbraw/zinc/33/62/01/174336201.db2.gz RQPLNXRORONULE-UHFFFAOYSA-N 1 0 209.245 1.151 50 0 BDAARO COCC[NH2+][C@H](C)c1ccccc1OC ZINC000019881316 174340061 /nfs/dbraw/zinc/34/00/61/174340061.db2.gz IAYUWNGQTSOBMI-SNVBAGLBSA-N 1 0 209.289 1.992 50 0 BDAARO COc1cc(OC)c(CC[NH3+])c(OC)c1 ZINC000036181509 175007287 /nfs/dbraw/zinc/00/72/87/175007287.db2.gz CGUNKAXAEZSOFA-UHFFFAOYSA-N 1 0 211.261 1.214 50 0 BDAARO COc1cc(OC)cc(OCCC[NH3+])c1 ZINC000021949785 175010014 /nfs/dbraw/zinc/01/00/14/175010014.db2.gz IUUQYACEAUJOOB-UHFFFAOYSA-N 1 0 211.261 1.431 50 0 BDAARO COc1cc(OC)cc(N2CC[C@H](C[NH3+])C2)c1 ZINC000019504728 175010700 /nfs/dbraw/zinc/01/07/00/175010700.db2.gz VXTXMVRVBLMJBR-SNVBAGLBSA-N 1 0 236.315 1.489 50 0 BDAARO COc1cc([C@@H](C)[NH3+])cc(OC)c1OC ZINC000000154742 175012999 /nfs/dbraw/zinc/01/29/99/175012999.db2.gz WYQUYSRUIVFEII-SSDOTTSWSA-N 1 0 211.261 1.732 50 0 BDAARO COc1ccc(-c2cc(C[NH3+])no2)cc1OC ZINC000011920179 175031576 /nfs/dbraw/zinc/03/15/76/175031576.db2.gz QYLNRGDQXLKRGH-UHFFFAOYSA-N 1 0 234.255 1.818 50 0 BDAARO COc1ccc(C(=O)CC[NH+](C)C)cc1OC ZINC000001735391 175053959 /nfs/dbraw/zinc/05/39/59/175053959.db2.gz HSSNCUJHRGPSFH-UHFFFAOYSA-N 1 0 237.299 1.838 50 0 biogenic,in-vitro BDAARO COc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000019384715 175059448 /nfs/dbraw/zinc/05/94/48/175059448.db2.gz YGURQNWFBYUDBQ-UHFFFAOYSA-N 1 0 248.326 1.425 50 0 BDAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1F ZINC000014121425 175060044 /nfs/dbraw/zinc/06/00/44/175060044.db2.gz ZQWRCRSVDQJMTR-UHFFFAOYSA-N 1 0 240.278 1.126 50 0 BDAARO COc1ccc(C(=O)OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042768903 175065018 /nfs/dbraw/zinc/06/50/18/175065018.db2.gz AJYBOEFSTPKOIT-SNVBAGLBSA-N 1 0 235.283 1.462 50 0 BDAARO COc1ccc(C)cc1-n1cnnc1CC[NH3+] ZINC000067789537 175073253 /nfs/dbraw/zinc/07/32/53/175073253.db2.gz SSZPWBLHYVCPDU-UHFFFAOYSA-N 1 0 232.287 1.086 50 0 BDAARO COc1ccc(C2(C[NH3+])OCCCO2)cc1 ZINC000004775563 175084195 /nfs/dbraw/zinc/08/41/95/175084195.db2.gz OJBMOAWYIZKNOG-UHFFFAOYSA-N 1 0 223.272 1.244 50 0 BDAARO COc1ccc(C2(C[NH3+])CC2)cc1OC ZINC000011848921 175084816 /nfs/dbraw/zinc/08/48/16/175084816.db2.gz HOXPTBMBXRLTTR-UHFFFAOYSA-N 1 0 207.273 1.694 50 0 BDAARO COc1ccc(CC[NH3+])c(Cl)c1OC ZINC000033605521 175090781 /nfs/dbraw/zinc/09/07/81/175090781.db2.gz YTKGUKHQYUHYTQ-UHFFFAOYSA-N 1 0 215.680 1.858 50 0 BDAARO COc1ccc(COC[C@@H]2CC[NH2+]C2)cc1 ZINC000042774080 175114701 /nfs/dbraw/zinc/11/47/01/175114701.db2.gz MSTVKMYJSJSUHV-GFCCVEGCSA-N 1 0 221.300 1.821 50 0 BDAARO COc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000043324401 175155515 /nfs/dbraw/zinc/15/55/15/175155515.db2.gz XOSZMBIYLQOOPG-NSHDSACASA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccc([C@@H]2C[NH2+]CCN2C)cc1OC ZINC000020268324 175183630 /nfs/dbraw/zinc/18/36/30/175183630.db2.gz IDFCMAIUQYYCAM-NSHDSACASA-N 1 0 236.315 1.280 50 0 BDAARO COc1cccc(-c2noc(CC[NH3+])n2)c1OC ZINC000034797661 175238244 /nfs/dbraw/zinc/23/82/44/175238244.db2.gz YWFVLFBCLFJKLI-UHFFFAOYSA-N 1 0 249.270 1.255 50 0 BDAARO COc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000071375437 175277301 /nfs/dbraw/zinc/27/73/01/175277301.db2.gz CLLXKBDFWHIYEL-LLVKDONJSA-N 1 0 248.326 1.976 50 0 BDAARO COc1ccccc1C(=O)O[C@@H]1CCC[N@H+](C)C1 ZINC000004803323 175318687 /nfs/dbraw/zinc/31/86/87/175318687.db2.gz FOXBUUKKUYZFBW-LLVKDONJSA-N 1 0 249.310 1.946 50 0 BDAARO COc1ccccc1CCC[NH2+][C@H]1CCCNC1 ZINC000067676400 175322784 /nfs/dbraw/zinc/32/27/84/175322784.db2.gz NBWDORVJUMADHK-AWEZNQCLSA-N 1 0 248.370 1.969 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000000200182 175328091 /nfs/dbraw/zinc/32/80/91/175328091.db2.gz UKZUGRRNIWAJGO-LBPRGKRZSA-N 1 0 221.300 1.652 50 0 BDAARO COc1ccccc1CO[C@@H]1CC[NH2+]C1 ZINC000014632029 175332056 /nfs/dbraw/zinc/33/20/56/175332056.db2.gz PPGYQXXVEXSEEZ-LLVKDONJSA-N 1 0 207.273 1.574 50 0 BDAARO COc1ccccc1NC(=O)c1ccc[n+](C)c1 ZINC000000364608 175336634 /nfs/dbraw/zinc/33/66/34/175336634.db2.gz ATIXFBCMGRISQM-UHFFFAOYSA-O 1 0 243.286 1.772 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N1CCc2ccc(OC)cc2C1 ZINC000095971079 487631964 /nfs/dbraw/zinc/63/19/64/487631964.db2.gz GTRRWWYZMDDDEQ-CYBMUJFWSA-N 1 0 248.326 1.317 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000019473273 176067435 /nfs/dbraw/zinc/06/74/35/176067435.db2.gz UGNDVMGUDTUVJF-OCCSQVGLSA-N 1 0 246.354 1.957 50 0 BDAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000032777669 176078839 /nfs/dbraw/zinc/07/88/39/176078839.db2.gz ZHAZFLOPOPVTSD-ZJUUUORDSA-N 1 0 241.335 1.082 50 0 BDAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000097108400 176084567 /nfs/dbraw/zinc/08/45/67/176084567.db2.gz WVNLXVGHATYAGL-WOPDTQHZSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CCC[NH2+][C@@H]1CNC(=O)OC(C)(C)C ZINC000070907135 176112830 /nfs/dbraw/zinc/11/28/30/176112830.db2.gz AYNCOHNAZBUURJ-NXEZZACHSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH2+]CCN2CCOCC2)C1 ZINC000019637501 176123422 /nfs/dbraw/zinc/12/34/22/176123422.db2.gz OLZAXJVRHIMHKT-CHWSQXEVSA-N 1 0 226.364 1.487 50 0 BDAARO C[C@@H]1CCC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000002498962 176143069 /nfs/dbraw/zinc/14/30/69/176143069.db2.gz IVZRGHLGFPUBJT-KGLIPLIRSA-N 1 0 240.391 1.877 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000084237570 176160236 /nfs/dbraw/zinc/16/02/36/176160236.db2.gz OWWPBKGSGNQMPL-BDAKNGLRSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]1CC[NH2+]CCN1Cc1ccccc1 ZINC000062569212 176185488 /nfs/dbraw/zinc/18/54/88/176185488.db2.gz RGKDAJPPEVSFBH-GFCCVEGCSA-N 1 0 204.317 1.870 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000022130030 176252830 /nfs/dbraw/zinc/25/28/30/176252830.db2.gz UMBWKSXEVUZEMI-BDAKNGLRSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000004241155 176252905 /nfs/dbraw/zinc/25/29/05/176252905.db2.gz FMLPQHJYUZTHQS-MRVPVSSYSA-N 1 0 200.282 1.215 50 0 BDAARO C[C@@H]1CN(C(=O)c2coc3ccccc23)CC[NH2+]1 ZINC000088058888 176265390 /nfs/dbraw/zinc/26/53/90/176265390.db2.gz QRBVNBMNLGDSRX-SNVBAGLBSA-N 1 0 244.294 1.867 50 0 BDAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1ccccn1 ZINC000098055852 176266062 /nfs/dbraw/zinc/26/60/62/176266062.db2.gz YLFDWYRFWVYNIG-ZHRWSRJISA-N 1 0 245.326 1.257 50 0 BDAARO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH3+] ZINC000049712243 176307597 /nfs/dbraw/zinc/30/75/97/176307597.db2.gz NAEAIOLWLQLRLN-PWSUYJOCSA-N 1 0 205.305 1.251 50 0 BDAARO C[C@@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000023508771 176329377 /nfs/dbraw/zinc/32/93/77/176329377.db2.gz BKITXDSDJGOXPN-SFYZADRCSA-N 1 0 200.282 1.119 50 0 BDAARO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH3+])CC(C)(C)C1 ZINC000012377991 176382795 /nfs/dbraw/zinc/38/27/95/176382795.db2.gz KXHDTRSUOYXLSW-OUAUKWLOSA-N 1 0 215.337 1.537 50 0 BDAARO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(F)c1 ZINC000092951066 176462286 /nfs/dbraw/zinc/46/22/86/176462286.db2.gz FBEXUKMMSDFHSO-CABZTGNLSA-N 1 0 236.290 1.440 50 0 BDAARO C[C@@]1([NH3+])CCN(C(=O)OCc2ccccc2)C1 ZINC000049587184 176536628 /nfs/dbraw/zinc/53/66/28/176536628.db2.gz YUBXVEPWFANRDT-CYBMUJFWSA-N 1 0 234.299 1.746 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000063193450 176772278 /nfs/dbraw/zinc/77/22/78/176772278.db2.gz URMPFFHQGBNZQP-CMPLNLGQSA-N 1 0 233.315 1.424 50 0 BDAARO C[C@H]([NH2+]CCOCC1CC1)c1cnn(C)c1 ZINC000097016857 176850451 /nfs/dbraw/zinc/85/04/51/176850451.db2.gz DUHQZMSBYBFFNT-JTQLQIEISA-N 1 0 223.320 1.497 50 0 BDAARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097236880 177008387 /nfs/dbraw/zinc/00/83/87/177008387.db2.gz VJXYYJQMSDWDSK-WDEREUQCSA-N 1 0 209.289 1.872 50 0 BDAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097236884 177014900 /nfs/dbraw/zinc/01/49/00/177014900.db2.gz VJXYYJQMSDWDSK-QWRGUYRKSA-N 1 0 209.289 1.872 50 0 BDAARO C[C@H](Oc1ccccc1)C(=O)NCC[NH+](C)C ZINC000006408562 177024162 /nfs/dbraw/zinc/02/41/62/177024162.db2.gz JMOHXVCXZDVMNE-NSHDSACASA-N 1 0 236.315 1.132 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000019411040 177073047 /nfs/dbraw/zinc/07/30/47/177073047.db2.gz DCHRCMONPYHVGY-QWRGUYRKSA-N 1 0 210.321 1.530 50 0 BDAARO C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000019412104 177093255 /nfs/dbraw/zinc/09/32/55/177093255.db2.gz LBUYTNUCAWAENU-QWRGUYRKSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000242263387 177094506 /nfs/dbraw/zinc/09/45/06/177094506.db2.gz XYOHEPPCIUBUHN-ZRUFSTJUSA-N 1 0 210.321 1.228 50 0 BDAARO C[C@H]1CCCN(C(=O)c2cccn2C)[C@@H]1C[NH3+] ZINC000070176535 177095299 /nfs/dbraw/zinc/09/52/99/177095299.db2.gz YTWKEDSVXWKYIB-CMPLNLGQSA-N 1 0 235.331 1.225 50 0 BDAARO C[C@H]1CCC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000019637512 177136840 /nfs/dbraw/zinc/13/68/40/177136840.db2.gz OLZAXJVRHIMHKT-STQMWFEESA-N 1 0 226.364 1.487 50 0 BDAARO C[C@H]1CN(C(=O)CCCc2ccccn2)CC[NH2+]1 ZINC000237583204 177214836 /nfs/dbraw/zinc/21/48/36/177214836.db2.gz XZXRUXHBLSPHEE-LBPRGKRZSA-N 1 0 247.342 1.225 50 0 BDAARO C[C@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062902963 177223648 /nfs/dbraw/zinc/22/36/48/177223648.db2.gz VBTNZRDTPAVZNO-GWCFXTLKSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1cccnc1 ZINC000237629317 177224272 /nfs/dbraw/zinc/22/42/72/177224272.db2.gz XVNZIVOEWAFDQZ-WDEREUQCSA-N 1 0 233.315 1.005 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@]1(O)c1ccccc1 ZINC000000236345 177234086 /nfs/dbraw/zinc/23/40/86/177234086.db2.gz YRQCJPVAIPXQDQ-WCQYABFASA-N 1 0 205.301 1.846 50 0 BDAARO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH3+] ZINC000101398262 177266958 /nfs/dbraw/zinc/26/69/58/177266958.db2.gz NAEAIOLWLQLRLN-CMPLNLGQSA-N 1 0 205.305 1.251 50 0 BDAARO C[C@H]([NH3+])[C@@H](N1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F ZINC000133203086 177276651 /nfs/dbraw/zinc/27/66/51/177276651.db2.gz TZMCARCFSUVHAG-UYXSQOIJSA-N 1 0 240.269 1.374 50 0 BDAARO C[C@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000023508774 177285705 /nfs/dbraw/zinc/28/57/05/177285705.db2.gz BKITXDSDJGOXPN-YUMQZZPRSA-N 1 0 200.282 1.119 50 0 BDAARO C[C@@H]1C[NH2+]C[C@H](C)N1C(=O)OC(C)(C)C ZINC000060280131 177286047 /nfs/dbraw/zinc/28/60/47/177286047.db2.gz RBOGBIZGALIITO-DTORHVGOSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@H]1C[C@@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043937687 177340049 /nfs/dbraw/zinc/34/00/49/177340049.db2.gz VSPSYRHBGGJCKH-CABZTGNLSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C[C@@H]1C ZINC000128725077 177369229 /nfs/dbraw/zinc/36/92/29/177369229.db2.gz ANKKXYNZXLKOTE-NTZNESFSSA-N 1 0 238.375 1.927 50 0 BDAARO c1nnc([C@@H]2CCC[NH2+]2)n1Cc1ccncc1 ZINC000082541658 487669845 /nfs/dbraw/zinc/66/98/45/487669845.db2.gz UPFORBLCUPCBBC-NSHDSACASA-N 1 0 229.287 1.146 50 0 BDAARO Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)o1 ZINC000046274697 487675384 /nfs/dbraw/zinc/67/53/84/487675384.db2.gz FWWNRBJFYTWDSR-MRVPVSSYSA-N 1 0 210.277 1.268 50 0 BDAARO O=C(NNc1cc[nH+]cc1)c1ccncc1 ZINC000180443771 487886197 /nfs/dbraw/zinc/88/61/97/487886197.db2.gz OTGOHDZACIXLOE-UHFFFAOYSA-N 1 0 214.228 1.234 50 0 BDAARO CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000082666559 323237371 /nfs/dbraw/zinc/23/73/71/323237371.db2.gz AQDAFCXAXXIOCW-SNVBAGLBSA-N 1 0 228.336 1.948 50 0 BDAARO CCc1ccc(O[C@H]2CCC[NH2+]C2)nc1 ZINC000536952213 323958114 /nfs/dbraw/zinc/95/81/14/323958114.db2.gz OCLAVVPYXMZICA-NSHDSACASA-N 1 0 206.289 1.775 50 0 BDAARO Cc1cc(C[NH2+][C@H](C)[C@@H](C)n2cccn2)on1 ZINC000084124346 488008353 /nfs/dbraw/zinc/00/83/53/488008353.db2.gz LWFFXWTUTRDUGE-GHMZBOCLSA-N 1 0 234.303 1.919 50 0 BDAARO c1c(-c2cccnc2)nnn1C1CC[NH2+]CC1 ZINC000063882999 487542293 /nfs/dbraw/zinc/54/22/93/487542293.db2.gz JAFFDDBPJYUWHA-UHFFFAOYSA-N 1 0 229.287 1.265 50 0 BDAARO C(Cc1nc(C2CC2)no1)[NH2+][C@@H]1CCSC1 ZINC000670439048 487487395 /nfs/dbraw/zinc/48/73/95/487487395.db2.gz VEDZQBQPQMJONR-SECBINFHSA-N 1 0 239.344 1.585 50 0 BDAARO Cc1nonc1CN(C)CC1(CO)CCCC1 ZINC000670450663 487500745 /nfs/dbraw/zinc/50/07/45/487500745.db2.gz IEXHOTLZIGBFGB-UHFFFAOYSA-N 1 0 239.319 1.363 50 0 BDAARO CC(C)C[C@@H]1CN(CCn2cnnc2)CCO1 ZINC000670453208 487507165 /nfs/dbraw/zinc/50/71/65/487507165.db2.gz DBQCMJLCWQHDBN-GFCCVEGCSA-N 1 0 238.335 1.025 50 0 BDAARO Cc1cc(N2CC[NH+](C3CCC3)CC2)n[nH]1 ZINC000194834749 490118187 /nfs/dbraw/zinc/11/81/87/490118187.db2.gz SGIVMMWDMISJCR-UHFFFAOYSA-N 1 0 220.320 1.393 50 0 BDAARO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)nc1 ZINC000097095389 490315752 /nfs/dbraw/zinc/31/57/52/490315752.db2.gz RPEBZGZNPBHAER-OLZOCXBDSA-N 1 0 234.343 1.983 50 0 BDAARO CC(=O)NCC[NH2+][C@@H](C)Cc1ccccc1C ZINC000097103940 490317606 /nfs/dbraw/zinc/31/76/06/490317606.db2.gz NFXAWYMQKBXZIH-LBPRGKRZSA-N 1 0 234.343 1.652 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000072562834 491132093 /nfs/dbraw/zinc/13/20/93/491132093.db2.gz DUGNIVSCRZXNSK-LBPRGKRZSA-N 1 0 224.348 1.873 50 0 BDAARO CC(C)(C)CC[NH2+]C[C@@]1(O)CCOC1 ZINC000188176955 518653280 /nfs/dbraw/zinc/65/32/80/518653280.db2.gz JTNYMDXMSKJDMD-NSHDSACASA-N 1 0 201.310 1.164 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000493746404 534577044 /nfs/dbraw/zinc/57/70/44/534577044.db2.gz ABAZOAFEUWBPBT-FMFIFOJESA-N 1 0 244.338 1.829 50 0 BDAARO CC[C@H](CO)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000253407926 522211231 /nfs/dbraw/zinc/21/12/31/522211231.db2.gz OWJZNASWOHTXDV-NWDGAFQWSA-N 1 0 242.363 1.138 50 0 BDAARO CN(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Cc1ncc[nH]1 ZINC000244816876 522843026 /nfs/dbraw/zinc/84/30/26/522843026.db2.gz SQEKKEIGCAGPFK-NWDGAFQWSA-N 1 0 234.347 1.326 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000152533959 524149998 /nfs/dbraw/zinc/14/99/98/524149998.db2.gz RXZLSSPDQDKJDH-GFUIURDCSA-N 1 0 230.311 1.568 50 0 BDAARO Cc1cccc(CC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000084516190 524340436 /nfs/dbraw/zinc/34/04/36/524340436.db2.gz SKWWSUBJNNBDMV-LBPRGKRZSA-N 1 0 232.327 1.358 50 0 BDAARO C[C@@H]1CN([C@H]2CCCSC2)CC[NH2+]1 ZINC000251866400 525058802 /nfs/dbraw/zinc/05/88/02/525058802.db2.gz SXQGTRVVSXZJJQ-ZJUUUORDSA-N 1 0 200.351 1.176 50 0 BDAARO COc1cccc(C[NH2+]CCn2cc(C)cn2)c1 ZINC000069893867 526016624 /nfs/dbraw/zinc/01/66/24/526016624.db2.gz OHAMTVVIGIAJNH-UHFFFAOYSA-N 1 0 245.326 1.990 50 0 BDAARO [NH3+][C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000070195846 527378125 /nfs/dbraw/zinc/37/81/25/527378125.db2.gz GKMDYWDXNPTOEE-MRVPVSSYSA-N 1 0 244.216 1.465 50 0 BDAARO CC1(C)OCC[C@H]1[NH2+]Cc1ccncc1F ZINC000336218363 535000511 /nfs/dbraw/zinc/00/05/11/535000511.db2.gz YESPVBUSVVAYNK-LLVKDONJSA-N 1 0 224.279 1.878 50 0 BDAARO CCOC(=O)C1CCN(c2cc[nH+]cc2)CC1 ZINC000002527215 535603227 /nfs/dbraw/zinc/60/32/27/535603227.db2.gz GXLGGUQVDXBVGX-UHFFFAOYSA-N 1 0 234.299 1.861 50 0 BDAARO CN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000193135889 536065806 /nfs/dbraw/zinc/06/58/06/536065806.db2.gz NWSLUZMBEYHYER-GXSJLCMTSA-N 1 0 228.311 1.478 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000104261429 582792832 /nfs/dbraw/zinc/79/28/32/582792832.db2.gz DRTDONXGTUKIPO-UJZCVKTISA-N 1 0 248.301 1.789 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@H]([NH3+])C[C@H]1C ZINC000757208749 586437735 /nfs/dbraw/zinc/43/77/35/586437735.db2.gz DAXRXQLVNFBKKN-GPCCPHFNSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[C@@H]([NH3+])CN1 ZINC000757209914 586438516 /nfs/dbraw/zinc/43/85/16/586438516.db2.gz GQLVZCFAUGOOJK-BXKDBHETSA-N 1 0 230.315 1.623 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1N ZINC000757215737 586440746 /nfs/dbraw/zinc/44/07/46/586440746.db2.gz XPEGUNPXVZGEBF-OLXJLDBKSA-N 1 0 244.342 1.869 50 0 BDAARO CC[N@H+]1[C@H](C)CN(c2ncc(F)cn2)C[C@@H]1C ZINC000874435508 590110068 /nfs/dbraw/zinc/11/00/68/590110068.db2.gz VTCLIPMGVKYBBE-AOOOYVTPSA-N 1 0 238.310 1.535 50 0 BDAARO [NH3+][C@@H](c1ccsc1)[C@]1(O)CCSC1 ZINC000958528738 635550755 /nfs/dbraw/zinc/55/07/55/635550755.db2.gz TXKHEHSOKFDGFJ-IUCAKERBSA-N 1 0 215.343 1.616 50 0 BDAARO CC(C)c1cccc([C@@H]([NH3+])C2(O)CNC2)c1 ZINC000958528424 635551730 /nfs/dbraw/zinc/55/17/30/635551730.db2.gz ROUNYVZGSWNHHB-GFCCVEGCSA-N 1 0 220.316 1.144 50 0 BDAARO COCC1(C[NH2+]Cc2cnc[nH]2)CCC1 ZINC000308907732 632395992 /nfs/dbraw/zinc/39/59/92/632395992.db2.gz LSJJFBQODDACQV-UHFFFAOYSA-N 1 0 209.293 1.316 50 0 BDAARO OCC[NH2+]CCCOc1ccccc1F ZINC000023634609 633032084 /nfs/dbraw/zinc/03/20/84/633032084.db2.gz NJZJZPSREHELKY-UHFFFAOYSA-N 1 0 213.252 1.177 50 0 BDAARO COc1cccc2c1OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063682 640959619 /nfs/dbraw/zinc/95/96/19/640959619.db2.gz KKDVFWGVZSVZBA-WCBMZHEXSA-N 1 0 207.273 1.594 50 0 BDAARO Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(N)[nH+]1 ZINC000032541339 641359333 /nfs/dbraw/zinc/35/93/33/641359333.db2.gz DGYQNQAJAMQKEW-QMMMGPOBSA-N 1 0 232.291 1.274 50 0 BDAARO COc1ncc(-c2cnc(C[NH3+])nc2)cc1C ZINC000935618107 641447736 /nfs/dbraw/zinc/44/77/36/641447736.db2.gz NFBGUMCHSDUODV-UHFFFAOYSA-N 1 0 230.271 1.314 50 0 BDAARO C[C@@H]1CN(C2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000000220430 642761537 /nfs/dbraw/zinc/76/15/37/642761537.db2.gz DBPYSMQZAZRHAF-GHMZBOCLSA-N 1 0 212.337 1.190 50 0 BDAARO CCCc1cc(C(=O)NC2CC[NH2+]CC2)no1 ZINC000020861092 643067167 /nfs/dbraw/zinc/06/71/67/643067167.db2.gz DQJKLFVPUUNUIQ-UHFFFAOYSA-N 1 0 237.303 1.109 50 0 BDAARO C[NH2+][C@@H]1CCN(C[C@](C)(O)c2ccccc2)C1 ZINC000252690759 643090725 /nfs/dbraw/zinc/09/07/25/643090725.db2.gz VZKHNXIUHACLMP-KGLIPLIRSA-N 1 0 234.343 1.188 50 0 BDAARO OC[C@H]1CCCN(CC[NH2+]Cc2ccoc2)C1 ZINC000952970428 644446786 /nfs/dbraw/zinc/44/67/86/644446786.db2.gz CFNIIEFIVVOIEM-ZDUSSCGKSA-N 1 0 238.331 1.074 50 0 BDAARO CC[C@H](Cn1ccnc1)[NH2+]CCCn1cccn1 ZINC000952962157 644447323 /nfs/dbraw/zinc/44/73/23/644447323.db2.gz BZCQAFVTGNORQV-CYBMUJFWSA-N 1 0 247.346 1.538 50 0 BDAARO C[C@H](CC[NH+](C)C)C(=O)N1CC=CCC1 ZINC000952992565 644449637 /nfs/dbraw/zinc/44/96/37/644449637.db2.gz OIZCXJQIZKDVAG-LLVKDONJSA-N 1 0 210.321 1.363 50 0 BDAARO C[C@@H]1SCC[C@@]1(O)[C@@H]([NH3+])C1CCC1 ZINC000958528696 644804675 /nfs/dbraw/zinc/80/46/75/644804675.db2.gz ZLFNUPPZTMPLLF-HGNGGELXSA-N 1 0 201.335 1.370 50 0 BDAARO [NH3+][C@@H](c1nccs1)[C@]1(O)CCSC1 ZINC000958527616 644806230 /nfs/dbraw/zinc/80/62/30/644806230.db2.gz BIZBKNWUSQWMBQ-XPUUQOCRSA-N 1 0 216.331 1.011 50 0 BDAARO CC(C)C[C@H]([NH3+])[C@]1(O)CCS[C@H]1C ZINC000958527488 644806609 /nfs/dbraw/zinc/80/66/09/644806609.db2.gz AJQUIRCOUNLZMJ-GUBZILKMSA-N 1 0 203.351 1.616 50 0 BDAARO CCc1nc2sccc2c(N2CC=C(N)[NH2+]2)n1 ZINC000887556362 645899417 /nfs/dbraw/zinc/89/94/17/645899417.db2.gz HXGLDIXTUQLMRQ-UHFFFAOYSA-N 1 0 247.327 1.378 50 0 BDAARO CC1(C)C[C@@H](O)CC[N@@H+](C2CCOCC2)C1 ZINC000395318393 711207209 /nfs/dbraw/zinc/20/72/09/711207209.db2.gz KKFHKRGUSVOFGR-LBPRGKRZSA-N 1 0 227.348 1.648 50 0 BDAARO CC(C)CS(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000821387193 968488980 /nfs/dbraw/zinc/48/89/80/968488980.db2.gz KBKFNPCYRPMXTH-GHMZBOCLSA-N 1 0 248.392 1.045 50 0 BDAARO C[C@H]1CC[N@H+](Cc2nc(-c3ccncc3)no2)C1 ZINC000584906960 972028191 /nfs/dbraw/zinc/02/81/91/972028191.db2.gz MBDTUSNUFUCRKB-JTQLQIEISA-N 1 0 244.298 1.973 50 0 BDAARO c1ccn2c(c1)nnc2SCC[NH+]1CCCC1 ZINC000584906861 958206314 /nfs/dbraw/zinc/20/63/14/958206314.db2.gz WNMLDZBZDIJXLS-UHFFFAOYSA-N 1 0 248.355 1.917 50 0 BDAARO CC[C@H](C)[N@H+](C)C[C@H]1CC(=O)N(CC)C1 ZINC000822623331 968532213 /nfs/dbraw/zinc/53/22/13/968532213.db2.gz NSLXZJVCPZPVEN-WDEREUQCSA-N 1 0 212.337 1.585 50 0 BDAARO CCNC(=O)[C@@H]1CC[N@H+](CCCn2cccc2)C1 ZINC000823123359 968540287 /nfs/dbraw/zinc/54/02/87/968540287.db2.gz LLYCPUZEFVHYEF-CYBMUJFWSA-N 1 0 249.358 1.336 50 0 BDAARO CC1(C(N)=O)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000826828761 968677138 /nfs/dbraw/zinc/67/71/38/968677138.db2.gz XDSKMGMUQGRVTH-LLVKDONJSA-N 1 0 240.347 1.000 50 0 BDAARO C[NH+]1CCC(COc2ncc(Cl)cn2)CC1 ZINC000585651450 973916134 /nfs/dbraw/zinc/91/61/34/973916134.db2.gz NCMZSIKIRMYTTN-UHFFFAOYSA-N 1 0 241.722 1.851 50 0 BDAARO O[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000585298945 973918646 /nfs/dbraw/zinc/91/86/46/973918646.db2.gz UYDRGOGDUQEJBU-QWRGUYRKSA-N 1 0 211.692 1.953 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1COc1ncc(F)cn1 ZINC000585651078 973920353 /nfs/dbraw/zinc/92/03/53/973920353.db2.gz JXZTUFRXOSYEHB-SNVBAGLBSA-N 1 0 225.267 1.479 50 0 BDAARO CC[NH2+][C@@H]1CCCO[C@H]1c1nccn1CC ZINC000952877753 974055935 /nfs/dbraw/zinc/05/59/35/974055935.db2.gz UYEZBPZZPJLATE-GHMZBOCLSA-N 1 0 223.320 1.733 50 0 BDAARO CC(C)Cc1cc(C[NH2+][C@H]2CCOC2)on1 ZINC000952873414 974057338 /nfs/dbraw/zinc/05/73/38/974057338.db2.gz YMEITORFDZUXKW-JTQLQIEISA-N 1 0 224.304 1.752 50 0 BDAARO Cn1ccnc1CC[NH+]1CCC(F)CC1 ZINC001506400267 988771934 /nfs/dbraw/zinc/77/19/34/988771934.db2.gz BJDUYKIXDFCZBA-UHFFFAOYSA-N 1 0 211.284 1.397 50 0 BDAARO CCc1nccn1C[C@@H](C)[NH2+]CCn1cccn1 ZINC001506409068 988777964 /nfs/dbraw/zinc/77/79/64/988777964.db2.gz FRHRLJLEVRUQFH-GFCCVEGCSA-N 1 0 247.346 1.320 50 0 BDAARO CCCn1nc(C)c(NC(=O)[C@H]2C=CC[NH2+]2)c1C ZINC001529158443 990332643 /nfs/dbraw/zinc/33/26/43/990332643.db2.gz CXFUXRBBOPGZKZ-LLVKDONJSA-N 1 0 248.330 1.376 50 0 BDAARO CCC(CC)(C[NH3+])C(=O)N1CCSCC1 ZINC000168047633 168321496 /nfs/dbraw/zinc/32/14/96/168321496.db2.gz CDHABLPEJCRKKS-UHFFFAOYSA-N 1 0 230.377 1.327 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]([NH3+])C2 ZINC000071373467 398147674 /nfs/dbraw/zinc/14/76/74/398147674.db2.gz JRZFZVWZIJNIEQ-VGMNWLOBSA-N 1 0 212.293 1.486 50 0 BDAARO Cc1cc(CNC(=O)[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000096425327 178014238 /nfs/dbraw/zinc/01/42/38/178014238.db2.gz SMKPBBJJDGDJAM-NSHDSACASA-N 1 0 238.356 1.733 50 0 BDAARO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)[nH]n1 ZINC000090529428 178054411 /nfs/dbraw/zinc/05/44/11/178054411.db2.gz HCVCJFSESCPAAG-KOLCDFICSA-N 1 0 247.346 1.733 50 0 BDAARO Cc1cc(N)nc(S[C@@H](C)C[NH+](C)C)n1 ZINC000000119256 178110286 /nfs/dbraw/zinc/11/02/86/178110286.db2.gz ROGJPTJVNYZJBP-QMMMGPOBSA-N 1 0 226.349 1.409 50 0 BDAARO Cc1cc(NCC(C)(C)CO)nc(N(C)C)[nH+]1 ZINC000065373931 178156738 /nfs/dbraw/zinc/15/67/38/178156738.db2.gz KHCJQONUMVDFGY-UHFFFAOYSA-N 1 0 238.335 1.281 50 0 BDAARO CCC(CC)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000170595557 361771910 /nfs/dbraw/zinc/77/19/10/361771910.db2.gz JLLOPEBWFFQRCO-MWLCHTKSSA-N 1 0 229.320 1.437 50 0 BDAARO C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCCO1 ZINC000097108770 398238067 /nfs/dbraw/zinc/23/80/67/398238067.db2.gz OVBDUJMULIVHQI-DGCLKSJQSA-N 1 0 237.347 1.510 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@H]1CCSC1 ZINC000097108505 398238075 /nfs/dbraw/zinc/23/80/75/398238075.db2.gz RZIFAMSVSRJQTH-QMMMGPOBSA-N 1 0 217.334 1.281 50 0 BDAARO Cc1cc2cc(C[NH3+])c(=O)[nH]c2cc1C ZINC000011980047 178294245 /nfs/dbraw/zinc/29/42/45/178294245.db2.gz BJLZRDMXGZYBHE-UHFFFAOYSA-N 1 0 202.257 1.604 50 0 BDAARO Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nn1 ZINC000067739720 178326363 /nfs/dbraw/zinc/32/63/63/178326363.db2.gz GDQUZCUHSLNJAI-LLVKDONJSA-N 1 0 241.294 1.714 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+]CC2)s1 ZINC000019411941 178392840 /nfs/dbraw/zinc/39/28/40/178392840.db2.gz HYBUAYDKCHZAGB-UHFFFAOYSA-N 1 0 210.302 1.102 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000050245882 178396951 /nfs/dbraw/zinc/39/69/51/178396951.db2.gz ZJFPPMMQDRGIKQ-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccccc1OC ZINC000000182926 342679420 /nfs/dbraw/zinc/67/94/20/342679420.db2.gz DXCDSZMJJVOLIM-JTQLQIEISA-N 1 0 209.289 1.820 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)COc1ccccc1 ZINC000000213022 342680253 /nfs/dbraw/zinc/68/02/53/342680253.db2.gz DTCRATFVXVJSBT-NSHDSACASA-N 1 0 223.316 1.814 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000000263194 342681564 /nfs/dbraw/zinc/68/15/64/342681564.db2.gz QNMAKJPRKQTXCB-JTQLQIEISA-N 1 0 239.315 1.828 50 0 BDAARO COc1c2c(cc3c1C[N@H+](C)CC3)OCO2 ZINC000000402960 342686812 /nfs/dbraw/zinc/68/68/12/342686812.db2.gz XXANNZJIZQTCBP-UHFFFAOYSA-N 1 0 221.256 1.412 50 0 endogenous,in-man BDAARO CCn1ccnc1C[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000071882022 342670630 /nfs/dbraw/zinc/67/06/30/342670630.db2.gz UHVYLMDTSSZQQK-NEPJUHHUSA-N 1 0 247.346 1.839 50 0 BDAARO [NH3+][C@H](CO)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001601469 342705553 /nfs/dbraw/zinc/70/55/53/342705553.db2.gz KCNCKSOQGJUYPZ-CABCVRRESA-N 1 0 243.306 1.707 50 0 BDAARO OCC[NH2+]Cc1ccc(Br)cc1 ZINC000001706315 342710268 /nfs/dbraw/zinc/71/02/68/342710268.db2.gz WXNPLUJAXBAUFK-UHFFFAOYSA-N 1 0 230.105 1.531 50 0 BDAARO Cc1csc(C[NH2+]C[C@H]2CCCO2)n1 ZINC000004298840 342746216 /nfs/dbraw/zinc/74/62/16/342746216.db2.gz LYSRGWCTNHIBCS-SECBINFHSA-N 1 0 212.318 1.720 50 0 BDAARO COc1ccc(OC)c(NC(=O)CN(C)C)c1 ZINC000003347112 342732703 /nfs/dbraw/zinc/73/27/03/342732703.db2.gz AJWPRNLUAAWUPU-UHFFFAOYSA-N 1 0 238.287 1.204 50 0 BDAARO O=C1CCC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000003881785 342738931 /nfs/dbraw/zinc/73/89/31/342738931.db2.gz ZSBXGIUJOOQZMP-BHPKHCPMSA-N 1 0 248.370 1.872 50 0 biogenic,in-vitro BDAARO COC(=O)c1ccc(C[C@@H]2CC[NH2+]C2)cc1 ZINC000035571900 342751340 /nfs/dbraw/zinc/75/13/40/342751340.db2.gz OPTBFKIVQIBNRR-NSHDSACASA-N 1 0 219.284 1.625 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000043214576 342791166 /nfs/dbraw/zinc/79/11/66/342791166.db2.gz IKTNEZKFSOMQJI-AXFHLTTASA-N 1 0 240.347 1.981 50 0 BDAARO Cc1ccc([C@](O)(CC[NH3+])C(F)(F)F)o1 ZINC000008981498 342806457 /nfs/dbraw/zinc/80/64/57/342806457.db2.gz LGRROCWYDUUILY-MRVPVSSYSA-N 1 0 223.194 1.687 50 0 BDAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CC(N)=O)[C@H]12 ZINC000048326376 539008117 /nfs/dbraw/zinc/00/81/17/539008117.db2.gz GNVFJLRIGNOVOF-CKYFFXLPSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H](C[NH3+])Cn1ccc(C(F)(F)F)n1 ZINC000012357768 342849898 /nfs/dbraw/zinc/84/98/98/342849898.db2.gz BASYXSJHXKSXBO-LURJTMIESA-N 1 0 207.199 1.497 50 0 BDAARO CC[NH+](CC)CCCNc1ncnc2n[nH]cc21 ZINC000004353491 342855406 /nfs/dbraw/zinc/85/54/06/342855406.db2.gz MXWGIFBGHHCAHW-UHFFFAOYSA-N 1 0 248.334 1.497 50 0 BDAARO CCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000032667830 342861758 /nfs/dbraw/zinc/86/17/58/342861758.db2.gz YZMLAAQLHQDKOK-GHMZBOCLSA-N 1 0 210.321 1.197 50 0 BDAARO COc1ccc(O[C@@H]2C[NH2+]CCOC2)cc1 ZINC000077266009 398307826 /nfs/dbraw/zinc/30/78/26/398307826.db2.gz ITJVRYXLLZBECB-GFCCVEGCSA-N 1 0 223.272 1.062 50 0 biogenic,in-vitro BDAARO O=S1(=O)CCNCC[C@H]1c1ccccc1 ZINC000308780113 342870702 /nfs/dbraw/zinc/87/07/02/342870702.db2.gz OIYRTAWTDHEAFR-NSHDSACASA-N 1 0 225.313 1.136 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@H](C)[C@H](O)C1 ZINC000225419552 398310019 /nfs/dbraw/zinc/31/00/19/398310019.db2.gz ZTNWUIJERJCSRM-QWHCGFSZSA-N 1 0 228.380 1.421 50 0 BDAARO COc1cc(C)ccc1O[C@@H]1CC[NH2+]C1 ZINC000014632249 342883220 /nfs/dbraw/zinc/88/32/20/342883220.db2.gz VHXHWUOFRGRECH-SNVBAGLBSA-N 1 0 207.273 1.744 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C)nc2C)C1 ZINC000055331154 398311904 /nfs/dbraw/zinc/31/19/04/398311904.db2.gz TYOIDNFPOWMREY-GFCCVEGCSA-N 1 0 247.342 1.522 50 0 BDAARO COc1c2c(cc(C[C@@H](C)[NH3+])c1OC)OCO2 ZINC000015084403 342891621 /nfs/dbraw/zinc/89/16/21/342891621.db2.gz UQXNREZPUUGSKM-SSDOTTSWSA-N 1 0 239.271 1.322 50 0 BDAARO C[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC000016604961 342913346 /nfs/dbraw/zinc/91/33/46/342913346.db2.gz SFJRRRBEPJIQND-UHFFFAOYSA-N 1 0 210.321 1.387 50 0 BDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000016941879 342917501 /nfs/dbraw/zinc/91/75/01/342917501.db2.gz SMBBBQYTVUGYPP-GFCCVEGCSA-N 1 0 230.311 1.575 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000011958552 346885733 /nfs/dbraw/zinc/88/57/33/346885733.db2.gz WSDBJMJIGDLXBC-NSHDSACASA-N 1 0 206.289 1.633 50 0 BDAARO Clc1ccc(OCCN2CC[NH2+]CC2)cc1 ZINC000019362171 342946751 /nfs/dbraw/zinc/94/67/51/342946751.db2.gz DTOPBQLBZBMIFT-UHFFFAOYSA-N 1 0 240.734 1.624 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000019431043 342948675 /nfs/dbraw/zinc/94/86/75/342948675.db2.gz XJPALNDNNCWDJU-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO O=S(=O)(Nc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000019472776 342949010 /nfs/dbraw/zinc/94/90/10/342949010.db2.gz WKYFAJIMWRXUNJ-LLVKDONJSA-N 1 0 240.328 1.180 50 0 BDAARO Nc1cccc([C@@H](O)C[NH+]2CCCCC2)c1 ZINC000019731498 342954991 /nfs/dbraw/zinc/95/49/91/342954991.db2.gz JLWZJHWOSRAISP-ZDUSSCGKSA-N 1 0 220.316 1.788 50 0 BDAARO CCCn1c2ccccc2nc1CC[NH3+] ZINC000019734098 342955381 /nfs/dbraw/zinc/95/53/81/342955381.db2.gz BHGLSKXLAUXOIS-UHFFFAOYSA-N 1 0 203.289 1.948 50 0 BDAARO CC[NH+](CC)[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000019891578 342961769 /nfs/dbraw/zinc/96/17/69/342961769.db2.gz MHTCYIZAJUFFCK-GFCCVEGCSA-N 1 0 246.310 1.660 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(F)cc1F ZINC000020577510 342991883 /nfs/dbraw/zinc/99/18/83/342991883.db2.gz FCVSGKVSVMNVBK-SECBINFHSA-N 1 0 215.199 1.528 50 0 BDAARO CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000020268294 342979331 /nfs/dbraw/zinc/97/93/31/342979331.db2.gz KYCQLULJKCTVMY-NSHDSACASA-N 1 0 210.708 1.916 50 0 BDAARO CCCCCC[NH2+]CCN1CCOCC1 ZINC000020361056 342984192 /nfs/dbraw/zinc/98/41/92/342984192.db2.gz FNPYUOOVHAHFGO-UHFFFAOYSA-N 1 0 214.353 1.489 50 0 BDAARO C[C@H]([NH3+])c1cccc(NS(C)(=O)=O)c1 ZINC000022216796 343044343 /nfs/dbraw/zinc/04/43/43/343044343.db2.gz GUHVSIGNWLMEHH-ZETCQYMHSA-N 1 0 214.290 1.078 50 0 BDAARO CC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000023363468 343063552 /nfs/dbraw/zinc/06/35/52/343063552.db2.gz CTPKPBTULPZITK-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO NNc1[nH+]c(Cl)c(Cl)c(N)c1Cl ZINC000024204212 343070633 /nfs/dbraw/zinc/07/06/33/343070633.db2.gz CTWTWTAESWKWLW-UHFFFAOYSA-N 1 0 227.482 1.910 50 0 BDAARO CC(C)(C)OC(=O)NCCC1(O)CC[NH2+]CC1 ZINC000147211173 343076059 /nfs/dbraw/zinc/07/60/59/343076059.db2.gz HCRMFOSFQXTRGI-UHFFFAOYSA-N 1 0 244.335 1.016 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000026898315 343110668 /nfs/dbraw/zinc/11/06/68/343110668.db2.gz MGHFVXFMQGQAKJ-UHFFFAOYSA-N 1 0 240.347 1.997 50 0 BDAARO Nc1[nH]c2ccc(Br)cc2[nH+]1 ZINC000026898551 343110811 /nfs/dbraw/zinc/11/08/11/343110811.db2.gz YLKNNXAMJFCCPY-UHFFFAOYSA-N 1 0 212.050 1.908 50 0 BDAARO CC(C)(C)[NH2+]C[C@H](O)c1cc(O)cc(CO)c1 ZINC000026727973 343108332 /nfs/dbraw/zinc/10/83/32/343108332.db2.gz NRHDTFNDQBINTQ-LBPRGKRZSA-N 1 0 239.315 1.306 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000026896576 343110469 /nfs/dbraw/zinc/11/04/69/343110469.db2.gz VMUXGMBHACBHJJ-OPRDCNLKSA-N 1 0 226.320 1.591 50 0 BDAARO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CC1 ZINC000150688112 136273419 /nfs/dbraw/zinc/27/34/19/136273419.db2.gz AEUXIDISODZGBX-QWRGUYRKSA-N 1 0 210.321 1.563 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]CC[C@H]2C1 ZINC000030678152 343193229 /nfs/dbraw/zinc/19/32/29/343193229.db2.gz NYGXZCRPVBPJTA-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO COC(=O)C[C@H]1[NH2+]CCc2ccccc21 ZINC000034180732 343265944 /nfs/dbraw/zinc/26/59/44/343265944.db2.gz ZYKBDGYQTKXXTM-LLVKDONJSA-N 1 0 205.257 1.437 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC000034217243 343266488 /nfs/dbraw/zinc/26/64/88/343266488.db2.gz CGEBPOMWRHSMLI-QMMMGPOBSA-N 1 0 212.293 1.263 50 0 BDAARO CCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000023283437 343274662 /nfs/dbraw/zinc/27/46/62/343274662.db2.gz KFCGXSNRTIPBSM-UHFFFAOYSA-N 1 0 230.355 1.791 50 0 BDAARO Cc1cccc(Cc2nnc(CC[NH3+])[nH]2)c1 ZINC000034928813 343281004 /nfs/dbraw/zinc/28/10/04/343281004.db2.gz WNHUVTFTMKZRAZ-UHFFFAOYSA-N 1 0 216.288 1.205 50 0 BDAARO C[C@H](NC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000035690905 343301924 /nfs/dbraw/zinc/30/19/24/343301924.db2.gz XTHRRRMGYZFWKR-UWVGGRQHSA-N 1 0 227.352 1.472 50 0 BDAARO COc1ccc(CN2CCC([NH3+])CC2)cc1F ZINC000036379497 343317095 /nfs/dbraw/zinc/31/70/95/343317095.db2.gz DTKJIYJVOIPGOX-UHFFFAOYSA-N 1 0 238.306 1.757 50 0 BDAARO COCc1nc2ccccc2n1CCC[NH3+] ZINC000038478281 343375608 /nfs/dbraw/zinc/37/56/08/343375608.db2.gz WDNBVWWEBLYJFA-UHFFFAOYSA-N 1 0 219.288 1.532 50 0 BDAARO CCC[C@](C)([NH3+])C(=O)NCc1ccc(C)n1C ZINC000037621594 343349754 /nfs/dbraw/zinc/34/97/54/343349754.db2.gz JFJOUGANPLJHHM-ZDUSSCGKSA-N 1 0 237.347 1.467 50 0 BDAARO CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000037619447 343349808 /nfs/dbraw/zinc/34/98/08/343349808.db2.gz XMVAHBOQEJEPLZ-ZYHUDNBSSA-N 1 0 235.331 1.776 50 0 BDAARO COC(=O)CCCOc1ccc(C[NH3+])cc1 ZINC000037698932 343351881 /nfs/dbraw/zinc/35/18/81/343351881.db2.gz FCUMASHXNBMPOL-UHFFFAOYSA-N 1 0 223.272 1.477 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1c(C)c[nH]c1C ZINC000040456548 343404553 /nfs/dbraw/zinc/40/45/53/343404553.db2.gz XJHPZXZWUNAAEB-UHFFFAOYSA-N 1 0 237.347 1.703 50 0 BDAARO [NH3+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000041027558 343412324 /nfs/dbraw/zinc/41/23/24/343412324.db2.gz QSQNAXKHJLRDOC-VIFPVBQESA-N 1 0 226.270 1.888 50 0 BDAARO CC(C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047705332 343449632 /nfs/dbraw/zinc/44/96/32/343449632.db2.gz AJUIWUZYIHGESF-GFCCVEGCSA-N 1 0 212.337 1.049 50 0 BDAARO O=C(O[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000042769404 343451120 /nfs/dbraw/zinc/45/11/20/343451120.db2.gz XLBBQFVOBCYVAO-LLVKDONJSA-N 1 0 205.257 1.595 50 0 BDAARO O=C(OCCC1CC[NH2+]CC1)C1CCC1 ZINC000042769273 343451248 /nfs/dbraw/zinc/45/12/48/343451248.db2.gz UKCASSQTTNJQIO-UHFFFAOYSA-N 1 0 211.305 1.719 50 0 BDAARO Clc1cncc(OCC[C@@H]2CCC[NH2+]C2)n1 ZINC000042774118 343452306 /nfs/dbraw/zinc/45/23/06/343452306.db2.gz CYLKRCVAEHVKNR-VIFPVBQESA-N 1 0 241.722 1.899 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC000044893791 343518375 /nfs/dbraw/zinc/51/83/75/343518375.db2.gz SZSMBTTUJZGJON-JTQLQIEISA-N 1 0 222.288 1.494 50 0 BDAARO Cc1nc(CN2CCC(C[NH3+])CC2)cs1 ZINC000044511794 343504982 /nfs/dbraw/zinc/50/49/82/343504982.db2.gz ZEYZIFKDRCDRKU-UHFFFAOYSA-N 1 0 225.361 1.622 50 0 BDAARO CCN(C)C(=O)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000049582237 343603721 /nfs/dbraw/zinc/60/37/21/343603721.db2.gz ZAVRZWQGRZAOAF-ZDUSSCGKSA-N 1 0 232.327 1.855 50 0 BDAARO CC[N@H+](Cc1cnc2ccccn12)C(C)(C)CO ZINC000097163466 344043822 /nfs/dbraw/zinc/04/38/22/344043822.db2.gz QTGYINXUQBAPJQ-UHFFFAOYSA-N 1 0 247.342 1.927 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccccn2)C1 ZINC000157943887 344127787 /nfs/dbraw/zinc/12/77/87/344127787.db2.gz GAVNXSZTDMQMMB-MLRMMBSGSA-N 1 0 231.299 1.045 50 0 BDAARO CSc1n[n+]2c(nc(C)cc2C)s1 ZINC000000078038 344240635 /nfs/dbraw/zinc/24/06/35/344240635.db2.gz OONAAUHNKQLADE-UHFFFAOYSA-N 1 0 212.323 1.616 50 0 BDAARO CCN(Cc1ccncc1)[C@@H]1CCC[NH2+]C1 ZINC000091908128 344286656 /nfs/dbraw/zinc/28/66/56/344286656.db2.gz TVDHNQDQTKWWSH-CYBMUJFWSA-N 1 0 219.332 1.656 50 0 BDAARO CCc1[nH+]c(N)nc(NCc2[nH]cnc2C)c1C ZINC000095388400 344335847 /nfs/dbraw/zinc/33/58/47/344335847.db2.gz UQZHGVFNCREWJC-UHFFFAOYSA-N 1 0 246.318 1.573 50 0 BDAARO CCN1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000044114428 344395523 /nfs/dbraw/zinc/39/55/23/344395523.db2.gz HJPFCJRBMXOYJT-NSHDSACASA-N 1 0 214.353 1.031 50 0 BDAARO CC[NH+](CC)CCC[C@@H](C)NC(C)=O ZINC000044124637 344535908 /nfs/dbraw/zinc/53/59/08/344535908.db2.gz ZOJVTDHSAWHVEC-SNVBAGLBSA-N 1 0 200.326 1.633 50 0 BDAARO Cc1ccc2c(c1)c(=O)c1c3n2CC[NH2+][C@H]3CC1 ZINC000000131406 344561353 /nfs/dbraw/zinc/56/13/53/344561353.db2.gz PNYWOKIRLFSQKT-LBPRGKRZSA-N 1 0 240.306 1.900 50 0 BDAARO COC(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000247857461 344566750 /nfs/dbraw/zinc/56/67/50/344566750.db2.gz UWQDGTPKIBAHGW-MNOVXSKESA-N 1 0 211.305 1.672 50 0 BDAARO Cc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000180348596 178686866 /nfs/dbraw/zinc/68/68/66/178686866.db2.gz VBDOMXURFBPMAM-ZDUSSCGKSA-N 1 0 239.290 1.375 50 0 BDAARO Cc1ccc(NCCC[NH2+][C@H](C)CO)nc1 ZINC000065458638 178758470 /nfs/dbraw/zinc/75/84/70/178758470.db2.gz AJPHOUKHKLOJQF-LLVKDONJSA-N 1 0 223.320 1.162 50 0 BDAARO S=C1N[C@@H]2CCCC[C@H]2N1C[NH+]1CCCC1 ZINC000033688265 344902518 /nfs/dbraw/zinc/90/25/18/344902518.db2.gz JFHUKDUHJMPSOQ-GHMZBOCLSA-N 1 0 239.388 1.541 50 0 BDAARO CC[NH+]1CCN(C(=O)/C=C\c2ccco2)CC1 ZINC000033722327 344920111 /nfs/dbraw/zinc/92/01/11/344920111.db2.gz RXPVDGJAPAEJJW-WAYWQWQTSA-N 1 0 234.299 1.457 50 0 BDAARO CC(=O)N1CC[C@H](Cn2c(C)c[nH+]c2C2CC2)C1 ZINC000409421014 344968523 /nfs/dbraw/zinc/96/85/23/344968523.db2.gz WYRBAVULKXPBNA-LBPRGKRZSA-N 1 0 247.342 1.937 50 0 BDAARO COCC[N@H+](C)[C@@H]1CCC[C@H]1SC ZINC000252670790 345575766 /nfs/dbraw/zinc/57/57/66/345575766.db2.gz LSAVTPCOLLMQLE-NXEZZACHSA-N 1 0 203.351 1.849 50 0 BDAARO C[C@]1([NH2+]CCO)CCCc2ccccc21 ZINC000095963693 345686946 /nfs/dbraw/zinc/68/69/46/345686946.db2.gz SGADSOVOFHVHMA-ZDUSSCGKSA-N 1 0 205.301 1.820 50 0 BDAARO C[N@@H+]1CCCN(Cc2ccncc2)CC1 ZINC000146155183 345957317 /nfs/dbraw/zinc/95/73/17/345957317.db2.gz TXHXPOHGVQJMBI-UHFFFAOYSA-N 1 0 205.305 1.219 50 0 BDAARO Cc1cccc(C(=O)N2CC[NH2+]C[C@@H]2C)c1C ZINC000054370662 179009685 /nfs/dbraw/zinc/00/96/85/179009685.db2.gz DBJNMUQVHJCAIB-NSHDSACASA-N 1 0 232.327 1.737 50 0 BDAARO Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000019391478 179018869 /nfs/dbraw/zinc/01/88/69/179018869.db2.gz UACUOYIGVCUZPR-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1cccc(CN2CC[NH2+]C[C@H]2CCO)c1 ZINC000019368006 179080512 /nfs/dbraw/zinc/08/05/12/179080512.db2.gz SCCKKYWEEXYIIU-CQSZACIVSA-N 1 0 234.343 1.151 50 0 BDAARO Cc1cccc(C[NH+]2CCN(CCO)CC2)c1 ZINC000019606709 179076066 /nfs/dbraw/zinc/07/60/66/179076066.db2.gz JNGIXKIMMGZPOG-UHFFFAOYSA-N 1 0 234.343 1.105 50 0 BDAARO Cc1cccc(C[NH2+]CC2(O)CCOCC2)c1C ZINC000112717100 179090449 /nfs/dbraw/zinc/09/04/49/179090449.db2.gz SUAOHGHVBBRBHQ-UHFFFAOYSA-N 1 0 249.354 1.935 50 0 BDAARO C[C@H](CNC(=O)c1ccccc1F)C[NH+](C)C ZINC000002873012 346534449 /nfs/dbraw/zinc/53/44/49/346534449.db2.gz LXBMWURLUPMJAG-SNVBAGLBSA-N 1 0 238.306 1.753 50 0 BDAARO Cc1cccc(OCCN2CC[NH2+][C@H](C)C2)c1 ZINC000040456349 179166358 /nfs/dbraw/zinc/16/63/58/179166358.db2.gz CDESRLLDRPFWFW-CYBMUJFWSA-N 1 0 234.343 1.668 50 0 BDAARO O=C(C[NH+]1CCCC1)Nc1ccccc1 ZINC000016361943 347170402 /nfs/dbraw/zinc/17/04/02/347170402.db2.gz CIOIRYLEIVBXJB-UHFFFAOYSA-N 1 0 204.273 1.721 50 0 BDAARO Cc1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000005126601 179249868 /nfs/dbraw/zinc/24/98/68/179249868.db2.gz ITKFYWOZEIOKFF-UHFFFAOYSA-N 1 0 232.327 1.821 50 0 BDAARO Cc1ccccc1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000071412528 179251533 /nfs/dbraw/zinc/25/15/33/179251533.db2.gz RERKKDQOIMEIFU-WCQYABFASA-N 1 0 232.327 1.723 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246133 179257768 /nfs/dbraw/zinc/25/77/68/179257768.db2.gz IZWUTCFBFDPKJV-LBPRGKRZSA-N 1 0 232.327 1.345 50 0 BDAARO [NH3+][C@H]1CCN(Cc2cccc(Cl)c2)C1 ZINC000022942111 347604521 /nfs/dbraw/zinc/60/45/21/347604521.db2.gz DAGJQTBLZQBFNI-NSHDSACASA-N 1 0 210.708 1.873 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000084516188 179257521 /nfs/dbraw/zinc/25/75/21/179257521.db2.gz BEYWEEMJBYQYIB-LBPRGKRZSA-N 1 0 232.327 1.358 50 0 BDAARO Cc1ccccc1C[NH+](C[C@H](C)O)C[C@H](C)O ZINC000000757381 179271526 /nfs/dbraw/zinc/27/15/26/179271526.db2.gz QNGJVVICQYFMCY-STQMWFEESA-N 1 0 237.343 1.559 50 0 BDAARO COC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000004011298 347639832 /nfs/dbraw/zinc/63/98/32/347639832.db2.gz YATGIAFCGMOEFX-AXFHLTTASA-N 1 0 201.310 1.569 50 0 BDAARO C[C@H](CCCO)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000195553547 347641816 /nfs/dbraw/zinc/64/18/16/347641816.db2.gz WGXKPNQSLKGFQW-OLZOCXBDSA-N 1 0 240.391 1.754 50 0 BDAARO O[C@@H]1COC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000195558920 347646170 /nfs/dbraw/zinc/64/61/70/347646170.db2.gz BJWQSQIUOIJNNJ-NWINJMCUSA-N 1 0 233.311 1.282 50 0 BDAARO Cc1ccccc1C[NH2+]CCCN1CCOCC1 ZINC000002518408 179281251 /nfs/dbraw/zinc/28/12/51/179281251.db2.gz FCMLIHBRXOFVFY-UHFFFAOYSA-N 1 0 248.370 1.807 50 0 BDAARO Cc1ccccc1OCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000058233655 179308923 /nfs/dbraw/zinc/30/89/23/179308923.db2.gz CNBZDLFGKXOOTB-LBPRGKRZSA-N 1 0 248.326 1.194 50 0 BDAARO CCOCC(C)(C)NC(=O)CC1CC[NH2+]CC1 ZINC000383174691 347874699 /nfs/dbraw/zinc/87/46/99/347874699.db2.gz ICIYCFKYGPHFDF-UHFFFAOYSA-N 1 0 242.363 1.307 50 0 BDAARO Cc1ccccc1OCCN1CC[NH2+]CC1 ZINC000019620903 179311580 /nfs/dbraw/zinc/31/15/80/179311580.db2.gz UYGHEEKXUMTKTR-UHFFFAOYSA-N 1 0 220.316 1.279 50 0 BDAARO Cc1cccn2c(C[NH2+][C@@H](C)CO)cnc12 ZINC000065508144 179354573 /nfs/dbraw/zinc/35/45/73/179354573.db2.gz FLKFVLLPLAPAAU-JTQLQIEISA-N 1 0 219.288 1.113 50 0 BDAARO Nc1n[nH]c2nc(C3CC[NH2+]CC3)ccc12 ZINC000019686402 348557975 /nfs/dbraw/zinc/55/79/75/348557975.db2.gz UYYSYTOKSMRJNE-UHFFFAOYSA-N 1 0 217.276 1.007 50 0 BDAARO COc1cccc2c1O[C@@]1(O)CC[N@H+](C)C[C@H]1C2 ZINC000071773421 348756726 /nfs/dbraw/zinc/75/67/26/348756726.db2.gz ATSWJHVQQMWTTL-RISCZKNCSA-N 1 0 249.310 1.270 50 0 BDAARO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2)C1 ZINC000116510295 348976021 /nfs/dbraw/zinc/97/60/21/348976021.db2.gz ADFBVTAJGJLTTL-YPMHNXCESA-N 1 0 205.301 1.889 50 0 BDAARO CCNC(=O)NCC1([NH3+])CCC(CC)CC1 ZINC000725254914 538048547 /nfs/dbraw/zinc/04/85/47/538048547.db2.gz JTHYWFDSKKMOKR-UHFFFAOYSA-N 1 0 227.352 1.603 50 0 BDAARO Cc1nc(C[NH+]2CCCCC2)cc(=O)[nH]1 ZINC000013132899 179953581 /nfs/dbraw/zinc/95/35/81/179953581.db2.gz HKHZEWGSURRFSB-UHFFFAOYSA-N 1 0 207.277 1.064 50 0 BDAARO CCCCNC(=O)NC[C@@](C)([NH3+])C(C)(C)C ZINC000725255016 538049893 /nfs/dbraw/zinc/04/98/93/538049893.db2.gz OEZAIVKYGKZMFP-GFCCVEGCSA-N 1 0 229.368 1.849 50 0 BDAARO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)on1 ZINC000040522675 350370765 /nfs/dbraw/zinc/37/07/65/350370765.db2.gz RMEQNIBEXZZXGC-SNVBAGLBSA-N 1 0 249.314 1.197 50 0 BDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH3+] ZINC000074942744 180346318 /nfs/dbraw/zinc/34/63/18/180346318.db2.gz ULNUKJVDCAEMRH-MWLCHTKSSA-N 1 0 209.293 1.073 50 0 BDAARO C[N@H+](CC(N)=O)[C@@H]1CCCc2ccccc21 ZINC000007583022 350835711 /nfs/dbraw/zinc/83/57/11/350835711.db2.gz LINVJKNWUDXGGT-GFCCVEGCSA-N 1 0 218.300 1.481 50 0 BDAARO CC(C)N(Cc1nccn1C)[C@@H]1CCC[NH2+]C1 ZINC000067755815 187614184 /nfs/dbraw/zinc/61/41/84/187614184.db2.gz DTCRLRJKPOLLDC-GFCCVEGCSA-N 1 0 236.363 1.383 50 0 BDAARO CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000225350985 363135624 /nfs/dbraw/zinc/13/56/24/363135624.db2.gz WMEITKWCKLAADZ-MMWGEVLESA-N 1 0 222.332 1.228 50 0 BDAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)C)C1 ZINC000054463253 363181506 /nfs/dbraw/zinc/18/15/06/363181506.db2.gz LERVSSGOJVKUHL-LBPRGKRZSA-N 1 0 242.363 1.115 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1ccc(OC)cc1 ZINC000003683384 352345403 /nfs/dbraw/zinc/34/54/03/352345403.db2.gz BPSOWZDYRZLSLU-UHFFFAOYSA-N 1 0 236.315 1.976 50 0 BDAARO COCc1ccccc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178539949 188253158 /nfs/dbraw/zinc/25/31/58/188253158.db2.gz JSVXKIOPPOFUIX-LLVKDONJSA-N 1 0 248.326 1.254 50 0 BDAARO CC(=O)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000036426704 188255349 /nfs/dbraw/zinc/25/53/49/188255349.db2.gz IWALYPJTHSQIMM-UHFFFAOYSA-N 1 0 219.219 1.970 50 0 BDAARO C[NH2+]Cc1cncc(Br)c1 ZINC000012370810 188279241 /nfs/dbraw/zinc/27/92/41/188279241.db2.gz UHDHQYPCHVXIKK-UHFFFAOYSA-N 1 0 201.067 1.564 50 0 BDAARO C[NH2+]Cc1cccc(Br)n1 ZINC000012370884 188279276 /nfs/dbraw/zinc/27/92/76/188279276.db2.gz UXUZAQVJXNKSIZ-UHFFFAOYSA-N 1 0 201.067 1.564 50 0 BDAARO Cc1nccn1-c1ccc(C[NH3+])cc1F ZINC000020469822 188282353 /nfs/dbraw/zinc/28/23/53/188282353.db2.gz VMEUQOMHWNIZJN-UHFFFAOYSA-N 1 0 205.236 1.779 50 0 BDAARO OCCCOCCC[NH+]1CCCCC1 ZINC000038342423 188291009 /nfs/dbraw/zinc/29/10/09/188291009.db2.gz SDNTUTORVOONKH-UHFFFAOYSA-N 1 0 201.310 1.261 50 0 BDAARO C[NH+](C)CCOc1ccc(Br)cn1 ZINC000042389925 188293924 /nfs/dbraw/zinc/29/39/24/188293924.db2.gz AWVBNWCYEVICAZ-UHFFFAOYSA-N 1 0 245.120 1.785 50 0 BDAARO Cc1cc(C)cc(C[NH2+]CC[S@@](C)=O)c1 ZINC000089585248 188304040 /nfs/dbraw/zinc/30/40/40/188304040.db2.gz YEOVXPAKIRPGFJ-HNNXBMFYSA-N 1 0 225.357 1.772 50 0 BDAARO C[C@@H]([NH2+]CCn1cccn1)C1CCOCC1 ZINC000089514700 188318455 /nfs/dbraw/zinc/31/84/55/188318455.db2.gz UFHHPMLCDKOTKZ-LLVKDONJSA-N 1 0 223.320 1.288 50 0 BDAARO C([C@@H]1CCOC1)[N@@H+]1CCOCC12CCCC2 ZINC000170057443 188338525 /nfs/dbraw/zinc/33/85/25/188338525.db2.gz QNOTYLGOHAYNSM-LBPRGKRZSA-N 1 0 225.332 1.668 50 0 BDAARO C1CN(NC2CCCCCCC2)CCO1 ZINC000023283384 188356191 /nfs/dbraw/zinc/35/61/91/188356191.db2.gz OEELLIFAWDYLLK-UHFFFAOYSA-N 1 0 212.337 1.936 50 0 BDAARO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccncc1F ZINC000334735939 354537035 /nfs/dbraw/zinc/53/70/35/354537035.db2.gz XLFRCRPCQIZEIN-QWRGUYRKSA-N 1 0 224.279 1.470 50 0 BDAARO Cc1cc(N2CC[C@](O)(C(F)F)C2)cc[nH+]1 ZINC000334796504 354551285 /nfs/dbraw/zinc/55/12/85/354551285.db2.gz BNKSEWUVPAALCL-LLVKDONJSA-N 1 0 228.242 1.596 50 0 BDAARO NC(=[NH2+])c1ccc(Br)cc1F ZINC000002599220 181193538 /nfs/dbraw/zinc/19/35/38/181193538.db2.gz DCQNERUWUYQVSC-UHFFFAOYSA-N 1 0 217.041 1.872 50 0 BDAARO NC(=[NH2+])NCc1ccc(Cl)c(Cl)c1 ZINC000002006061 181190658 /nfs/dbraw/zinc/19/06/58/181190658.db2.gz AURBDHIQLUVPNM-UHFFFAOYSA-N 1 0 218.087 1.976 50 0 BDAARO CNC(=O)CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336008451 134049642 /nfs/dbraw/zinc/04/96/42/134049642.db2.gz KGCZRHXQAQZPTI-MRVPVSSYSA-N 1 0 220.263 1.100 50 0 BDAARO NC(=O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119008384 181237025 /nfs/dbraw/zinc/23/70/25/181237025.db2.gz VADYSSCVUIQVPV-KGLIPLIRSA-N 1 0 246.354 1.863 50 0 BDAARO NC(=O)CC[NH2+]CC1(c2ccccc2)CCCC1 ZINC000002295932 181225934 /nfs/dbraw/zinc/22/59/34/181225934.db2.gz YABZCXXMACBVDY-UHFFFAOYSA-N 1 0 246.354 1.963 50 0 BDAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000092589042 181243641 /nfs/dbraw/zinc/24/36/41/181243641.db2.gz GECBSAXKPHLETA-LBPRGKRZSA-N 1 0 248.326 1.622 50 0 BDAARO C[N@@H+]([C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@@H]1O ZINC000045027503 356371973 /nfs/dbraw/zinc/37/19/73/356371973.db2.gz DCOWSAJHGYDKOR-RNJOBUHISA-N 1 0 227.348 1.525 50 0 BDAARO [NH3+]CC1(c2cccc(C(F)(F)F)c2)COC1 ZINC000088366201 356374476 /nfs/dbraw/zinc/37/44/76/356374476.db2.gz QFARLPNYNOKLGN-UHFFFAOYSA-N 1 0 231.217 1.932 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000157169396 181270437 /nfs/dbraw/zinc/27/04/37/181270437.db2.gz KQOYTHSIUBQRKP-YYRQZUAOSA-N 1 0 248.301 1.646 50 0 BDAARO NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000005934431 181279030 /nfs/dbraw/zinc/27/90/30/181279030.db2.gz LJLMNWPXAYKPGV-VXGBXAGGSA-N 1 0 218.300 1.398 50 0 in-vivo BDAARO CN1C[C@H](C[N@@H+]2CCc3ccccc3C2)CC1=O ZINC000618256556 356470860 /nfs/dbraw/zinc/47/08/60/356470860.db2.gz ULRAWOOJSYWUPD-GFCCVEGCSA-N 1 0 244.338 1.523 50 0 BDAARO NC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000000278277 181280396 /nfs/dbraw/zinc/28/03/96/181280396.db2.gz XFPABKXIZOYZBL-ZDUSSCGKSA-N 1 0 232.327 1.426 50 0 BDAARO CCCC1CCC2(CC1)[NH2+]C(CO)(CO)CO2 ZINC000049593279 356493414 /nfs/dbraw/zinc/49/34/14/356493414.db2.gz GCWWRIZFGNIGBG-UHFFFAOYSA-N 1 0 243.347 1.016 50 0 BDAARO CC[C@H](COC)[NH2+]C[C@@H](C)N1CCOC[C@H]1C ZINC000252511641 363492611 /nfs/dbraw/zinc/49/26/11/363492611.db2.gz IZPSAUIUEZPCID-JHJVBQTASA-N 1 0 244.379 1.110 50 0 BDAARO C[N@H+](CC(N)=O)[C@@H]1CCc2ccccc21 ZINC000012921938 356617748 /nfs/dbraw/zinc/61/77/48/356617748.db2.gz DQDSARJIMWCDMJ-LLVKDONJSA-N 1 0 204.273 1.091 50 0 BDAARO C[C@@H](O)[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000095993816 538613294 /nfs/dbraw/zinc/61/32/94/538613294.db2.gz YUTBNTZMHMSKGP-VXGBXAGGSA-N 1 0 227.348 1.384 50 0 BDAARO CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000048313919 358628340 /nfs/dbraw/zinc/62/83/40/358628340.db2.gz WDSICBLAYBAFJW-LBPRGKRZSA-N 1 0 224.348 1.873 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000035782851 359377619 /nfs/dbraw/zinc/37/76/19/359377619.db2.gz OKWPTYCGPZCIIZ-GHMZBOCLSA-N 1 0 248.326 1.395 50 0 BDAARO Cc1ccc(C[NH2+]C(C)(C)C(N)=O)c(C)c1 ZINC000040673882 359769349 /nfs/dbraw/zinc/76/93/49/359769349.db2.gz NFYBMDLRMRGGEH-UHFFFAOYSA-N 1 0 220.316 1.657 50 0 BDAARO COCc1ncc(C)n1[C@H]1CCC[NH2+]C1 ZINC000169793050 361130712 /nfs/dbraw/zinc/13/07/12/361130712.db2.gz GQPAGFFKBIWSOW-JTQLQIEISA-N 1 0 209.293 1.262 50 0 BDAARO C[C@H](CN1CCCC1=O)[NH2+]CC(C)(C)C ZINC000041051433 361207060 /nfs/dbraw/zinc/20/70/60/361207060.db2.gz MNCNEAMMGDXWRU-SNVBAGLBSA-N 1 0 212.337 1.633 50 0 BDAARO OCc1nc2cc(C3=CC[NH2+]CC3)ccc2[nH]1 ZINC000426465065 200988368 /nfs/dbraw/zinc/98/83/68/200988368.db2.gz CGYRACYPHBGYNH-UHFFFAOYSA-N 1 0 229.283 1.432 50 0 BDAARO [NH3+]C1(C(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000083354403 181327880 /nfs/dbraw/zinc/32/78/80/181327880.db2.gz HNBOSYQYYQIDGZ-UHFFFAOYSA-N 1 0 226.226 1.072 50 0 BDAARO CCn1cc(C[NH+]2CCSCC2)ccc1=O ZINC000065285959 361374798 /nfs/dbraw/zinc/37/47/98/361374798.db2.gz UOBWITUOWXRLMZ-UHFFFAOYSA-N 1 0 238.356 1.417 50 0 BDAARO [NH3+]C1(CC(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000096896432 181331153 /nfs/dbraw/zinc/33/11/53/181331153.db2.gz PXJMSJNGOCHGJS-UHFFFAOYSA-N 1 0 248.326 1.455 50 0 BDAARO [NH3+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000037481873 181340254 /nfs/dbraw/zinc/34/02/54/181340254.db2.gz RSHLHEJTFQCQEN-UHFFFAOYSA-N 1 0 228.361 1.079 50 0 BDAARO [NH3+]C1CCN(Cc2ccnn2C(F)F)CC1 ZINC000072209518 181344402 /nfs/dbraw/zinc/34/44/02/181344402.db2.gz FEEQZWVEGHSPJM-UHFFFAOYSA-N 1 0 230.262 1.201 50 0 BDAARO [NH3+]CC(=O)Nc1cnc2ccccc2c1 ZINC000037020264 181356664 /nfs/dbraw/zinc/35/66/64/181356664.db2.gz SPBWTYUYAUPBAO-UHFFFAOYSA-N 1 0 201.229 1.132 50 0 BDAARO [NH3+]CCCC(=O)N1CCc2ccccc21 ZINC000011755351 181371101 /nfs/dbraw/zinc/37/11/01/181371101.db2.gz WZIKBIPTIKSIIJ-UHFFFAOYSA-N 1 0 204.273 1.315 50 0 BDAARO [NH3+]CCCC(=O)N1CCC[C@@H]1C1CCC1 ZINC000157378436 181371122 /nfs/dbraw/zinc/37/11/22/181371122.db2.gz XHYXWSZTCWZRQC-LLVKDONJSA-N 1 0 210.321 1.516 50 0 BDAARO [NH3+]CCCCCc1nnc2ccccn21 ZINC000019479509 181376119 /nfs/dbraw/zinc/37/61/19/181376119.db2.gz UBTPDQFKRWHRJX-UHFFFAOYSA-N 1 0 204.277 1.401 50 0 BDAARO CCC[C@@](C)(O)C[NH2+]C[C@@](C)(O)CCC ZINC000002164086 368369035 /nfs/dbraw/zinc/36/90/35/368369035.db2.gz BPDRKWSLLFOOON-TXEJJXNPSA-N 1 0 217.353 1.678 50 0 BDAARO COC(=O)c1ccc(OCCC[NH3+])cc1 ZINC000082730681 368709270 /nfs/dbraw/zinc/70/92/70/368709270.db2.gz IRJPWMHYKRKYSZ-UHFFFAOYSA-N 1 0 209.245 1.201 50 0 BDAARO Cc1cc(=O)[nH]c(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000012667080 370930720 /nfs/dbraw/zinc/93/07/20/370930720.db2.gz LGGCXDXBASLRDT-AOOOYVTPSA-N 1 0 235.331 1.556 50 0 BDAARO [NH3+]C[C@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920025 181456434 /nfs/dbraw/zinc/45/64/34/181456434.db2.gz OHDMOKNRYANDRG-MRVPVSSYSA-N 1 0 240.253 1.272 50 0 BDAARO C[C@H]1C[C@@H]([NH3+])CN(C(=O)OCc2ccccc2)C1 ZINC000107259360 369340344 /nfs/dbraw/zinc/34/03/44/369340344.db2.gz IVXCIGPEHNCVPW-WCQYABFASA-N 1 0 248.326 1.992 50 0 BDAARO CCN(Cc1cncs1)[C@H](C)C[NH+](C)C ZINC000225603109 371560923 /nfs/dbraw/zinc/56/09/23/371560923.db2.gz NNOJWZHXWMGVQV-SNVBAGLBSA-N 1 0 227.377 1.915 50 0 BDAARO C[NH+](C)Cc1ccc(Br)cn1 ZINC000132990693 371964023 /nfs/dbraw/zinc/96/40/23/371964023.db2.gz HGRJHRRQFVHPLJ-UHFFFAOYSA-N 1 0 215.094 1.906 50 0 BDAARO O[C@@H]1CCC[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000217798270 372012244 /nfs/dbraw/zinc/01/22/44/372012244.db2.gz OKFSUFYTHUYHCJ-UONOGXRCSA-N 1 0 217.312 1.958 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2ccccn2)C1 ZINC000606441951 372103172 /nfs/dbraw/zinc/10/31/72/372103172.db2.gz GAVNXSZTDMQMMB-JMEBYUIHSA-N 1 0 231.299 1.045 50 0 BDAARO C[N@H+](CCCO)C[C@@H]1COc2ccccc2O1 ZINC000067127049 372701324 /nfs/dbraw/zinc/70/13/24/372701324.db2.gz RPJSQVJBPKOGGZ-LLVKDONJSA-N 1 0 237.299 1.141 50 0 BDAARO O=C(Cc1ccccc1)O[C@@H]1CC[NH2+]C1 ZINC000042768776 182044363 /nfs/dbraw/zinc/04/43/63/182044363.db2.gz JXBXDEUIDHXVLU-LLVKDONJSA-N 1 0 205.257 1.134 50 0 BDAARO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 ZINC000069143399 373114646 /nfs/dbraw/zinc/11/46/46/373114646.db2.gz PVPYEWASVQBCNQ-QJPTWQEYSA-N 1 0 224.348 1.491 50 0 BDAARO C[N@@H+](CC(=O)NC1CC1)CC1CCCCC1 ZINC000040466288 373283461 /nfs/dbraw/zinc/28/34/61/373283461.db2.gz COGPQJWZRTWXPL-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO O=C(NCC1CC[NH2+]CC1)c1ccccc1F ZINC000019279140 182147366 /nfs/dbraw/zinc/14/73/66/182147366.db2.gz NBKDHVFTRXTCHL-UHFFFAOYSA-N 1 0 236.290 1.555 50 0 BDAARO Cc1ncc(C[NH2+][C@H]2CCc3ncnn3C2)s1 ZINC000069652203 373567910 /nfs/dbraw/zinc/56/79/10/373567910.db2.gz HRJDHQIHRTVXEI-VIFPVBQESA-N 1 0 249.343 1.148 50 0 BDAARO Brc1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC000070947356 374234164 /nfs/dbraw/zinc/23/41/64/374234164.db2.gz VRWNNUCLJLQNND-ZETCQYMHSA-N 1 0 228.093 1.664 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)nc1 ZINC000170676269 182294987 /nfs/dbraw/zinc/29/49/87/182294987.db2.gz FGCKIDPVYDGAAP-SECBINFHSA-N 1 0 239.706 1.217 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000019386080 182329323 /nfs/dbraw/zinc/32/93/23/182329323.db2.gz QZNLQMRCXJASDU-VIFPVBQESA-N 1 0 222.263 1.308 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000046998416 182335903 /nfs/dbraw/zinc/33/59/03/182335903.db2.gz YKHUYYKHWVFIQV-QWHCGFSZSA-N 1 0 245.326 1.438 50 0 BDAARO O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000019411209 182355051 /nfs/dbraw/zinc/35/50/51/182355051.db2.gz JVTOWVQAGGDBTH-NSHDSACASA-N 1 0 222.263 1.906 50 0 BDAARO CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000002075032 168868094 /nfs/dbraw/zinc/86/80/94/168868094.db2.gz JCLZQRQJFXFGGK-LBPRGKRZSA-N 1 0 223.316 1.816 50 0 BDAARO O=C(Nc1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038076173 182369145 /nfs/dbraw/zinc/36/91/45/182369145.db2.gz JTJKURXIRVVZNY-UHFFFAOYSA-N 1 0 223.251 1.263 50 0 BDAARO O=C(Nc1cccc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000006681862 182369284 /nfs/dbraw/zinc/36/92/84/182369284.db2.gz XDFDVNKFADRWQG-JTQLQIEISA-N 1 0 208.236 1.516 50 0 BDAARO O=c1cc(C[NH+]2CCCCC2)nc2ccccn12 ZINC000015375966 182992883 /nfs/dbraw/zinc/99/28/83/182992883.db2.gz JZAUJUXYHSRTDE-UHFFFAOYSA-N 1 0 243.310 1.680 50 0 BDAARO OC1CC[NH+](CCOc2ccccc2)CC1 ZINC000032013923 183028549 /nfs/dbraw/zinc/02/85/49/183028549.db2.gz CIIAJAZDMVEMJL-UHFFFAOYSA-N 1 0 221.300 1.522 50 0 BDAARO OC1(c2ccc(-c3cc[nH]n3)cc2)CC[NH2+]CC1 ZINC000067852020 183023455 /nfs/dbraw/zinc/02/34/55/183023455.db2.gz GZMGRUQUYXKJID-UHFFFAOYSA-N 1 0 243.310 1.648 50 0 BDAARO OCCC1([NH2+]Cc2ccccc2)CSC1 ZINC000096024417 183042488 /nfs/dbraw/zinc/04/24/88/183042488.db2.gz GXGAQQXYKGQQOW-UHFFFAOYSA-N 1 0 223.341 1.644 50 0 BDAARO OCCCC[N@H+](C[C@H]1CCCO1)C1CC1 ZINC000071921799 183048746 /nfs/dbraw/zinc/04/87/46/183048746.db2.gz GBFRMUBHYIHFJS-GFCCVEGCSA-N 1 0 213.321 1.402 50 0 BDAARO OCC1(C[C@@H]2CCCCO2)CC[NH2+]CC1 ZINC000067649530 183037281 /nfs/dbraw/zinc/03/72/81/183037281.db2.gz RDWIIWHUGLWQAH-NSHDSACASA-N 1 0 213.321 1.308 50 0 BDAARO OCC[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC000002031269 183076037 /nfs/dbraw/zinc/07/60/37/183076037.db2.gz PXQHUVHSOLQIQZ-UHFFFAOYSA-N 1 0 209.333 1.785 50 0 BDAARO OCC[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000096490890 183096316 /nfs/dbraw/zinc/09/63/16/183096316.db2.gz YVTGDKISTBFCBJ-OCCSQVGLSA-N 1 0 235.327 1.736 50 0 BDAARO OCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000013527274 183092117 /nfs/dbraw/zinc/09/21/17/183092117.db2.gz AFIHDUMBMCABLM-LSDHHAIUSA-N 1 0 249.354 1.957 50 0 BDAARO OCC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000096424552 183098481 /nfs/dbraw/zinc/09/84/81/183098481.db2.gz JCTUMQILLNXMBO-LLVKDONJSA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1F ZINC000072267118 183128316 /nfs/dbraw/zinc/12/83/16/183128316.db2.gz VUSIMSUGLBODCD-STQMWFEESA-N 1 0 223.291 1.839 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000231888851 183149562 /nfs/dbraw/zinc/14/95/62/183149562.db2.gz OPENWPOZSKOQFV-JTQLQIEISA-N 1 0 224.279 1.425 50 0 BDAARO OC[C@H](c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000038120803 183145529 /nfs/dbraw/zinc/14/55/29/183145529.db2.gz YJTOJOVMCKDLHS-GFCCVEGCSA-N 1 0 240.734 1.279 50 0 BDAARO CCCN(C(=O)c1cc[nH]c1C)[C@@H]1CC[NH2+]C1 ZINC000262595031 169046365 /nfs/dbraw/zinc/04/63/65/169046365.db2.gz ULGGJUNZEOQILJ-LLVKDONJSA-N 1 0 235.331 1.537 50 0 BDAARO O[C@@H](C[NH2+]C1CCCCC1)C(F)(F)F ZINC000005621468 183179262 /nfs/dbraw/zinc/17/92/62/183179262.db2.gz FQOQFPFCGXFDOA-QMMMGPOBSA-N 1 0 211.227 1.832 50 0 BDAARO O[C@@H](C[NH2+]CCc1ccccn1)C(F)(F)F ZINC000004053432 183179600 /nfs/dbraw/zinc/17/96/00/183179600.db2.gz PIILXKJHIKQKAF-VIFPVBQESA-N 1 0 234.221 1.137 50 0 BDAARO CCCN(C)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000087221947 169057984 /nfs/dbraw/zinc/05/79/84/169057984.db2.gz HTLDGZNTGDVFGG-QWRGUYRKSA-N 1 0 212.337 1.762 50 0 BDAARO O[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000095982445 183198620 /nfs/dbraw/zinc/19/86/20/183198620.db2.gz QAFKEVLDJHBTPI-ZIYVKSGCSA-N 1 0 221.275 1.906 50 0 BDAARO O[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000252716448 183202659 /nfs/dbraw/zinc/20/26/59/183202659.db2.gz YMPPARSZSBNUSL-HAQNSBGRSA-N 1 0 206.289 1.475 50 0 BDAARO O[C@H](CN1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000019785174 183221621 /nfs/dbraw/zinc/22/16/21/183221621.db2.gz GRPDEPWCYKMDIL-GFCCVEGCSA-N 1 0 240.734 1.279 50 0 BDAARO O[C@H](C[NH2+]C1CCCCC1)C(F)(F)F ZINC000005621470 183222708 /nfs/dbraw/zinc/22/27/08/183222708.db2.gz FQOQFPFCGXFDOA-MRVPVSSYSA-N 1 0 211.227 1.832 50 0 BDAARO O[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000000199547 183235364 /nfs/dbraw/zinc/23/53/64/183235364.db2.gz MMZLQAIKSJRDIW-LBPRGKRZSA-N 1 0 209.264 1.782 50 0 BDAARO Oc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000003684269 183269094 /nfs/dbraw/zinc/26/90/94/183269094.db2.gz BJQBDHFIOZKATD-UHFFFAOYSA-N 1 0 207.273 1.349 50 0 BDAARO CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC ZINC000047851585 169211331 /nfs/dbraw/zinc/21/13/31/169211331.db2.gz XSBDXKDGYCEIEQ-CYBMUJFWSA-N 1 0 232.327 1.569 50 0 BDAARO c1nnc([C@@H]2CCC[NH2+]2)n1-c1ccccc1 ZINC000054526815 183386396 /nfs/dbraw/zinc/38/63/96/183386396.db2.gz IGICUVSKNAHUCG-NSHDSACASA-N 1 0 214.272 1.692 50 0 BDAARO c1ccc(CCCO[C@@H]2CC[NH2+]C2)cc1 ZINC000014632016 183390959 /nfs/dbraw/zinc/39/09/59/183390959.db2.gz CBOQLKCMPYOHGQ-CYBMUJFWSA-N 1 0 205.301 1.998 50 0 BDAARO c1ccc(CCN2CCC[NH2+]CC2)cc1 ZINC000020135908 183392133 /nfs/dbraw/zinc/39/21/33/183392133.db2.gz KWDPAPUJVTXSDX-UHFFFAOYSA-N 1 0 204.317 1.524 50 0 BDAARO c1ccc(CCNC2=[NH+]CCS2)cc1 ZINC000003289287 183392790 /nfs/dbraw/zinc/39/27/90/183392790.db2.gz WMGJVTLPBGGVBQ-UHFFFAOYSA-N 1 0 206.314 1.922 50 0 BDAARO c1ccc(CCc2nnc3n2CC[NH2+]CC3)cc1 ZINC000067654668 183395424 /nfs/dbraw/zinc/39/54/24/183395424.db2.gz JVSCBIIONGKQLJ-UHFFFAOYSA-N 1 0 242.326 1.209 50 0 BDAARO CCCO[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000032582157 169312226 /nfs/dbraw/zinc/31/22/26/169312226.db2.gz UHHYTTJLBAYFIX-AWEZNQCLSA-N 1 0 240.391 1.972 50 0 BDAARO CCCOc1ccc(C[NH2+][C@@H](C)C(N)=O)cc1 ZINC000035148813 169318387 /nfs/dbraw/zinc/31/83/87/169318387.db2.gz NAGRBZXDQGPRAG-JTQLQIEISA-N 1 0 236.315 1.439 50 0 BDAARO CCCS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246870544 169334235 /nfs/dbraw/zinc/33/42/35/169334235.db2.gz GDRFILGWWAACCH-MNOVXSKESA-N 1 0 248.392 1.045 50 0 BDAARO c1[nH]c2ncccc2c1CCN1CC[NH2+]CC1 ZINC000045796050 183483737 /nfs/dbraw/zinc/48/37/37/183483737.db2.gz NJZXPTPZTYNEKH-UHFFFAOYSA-N 1 0 230.315 1.011 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC000057219121 166648578 /nfs/dbraw/zinc/64/85/78/166648578.db2.gz KQJIICGAXIAFIA-BDAKNGLRSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000040448611 166657917 /nfs/dbraw/zinc/65/79/17/166657917.db2.gz CQJSNQCNXVJXDM-NXEZZACHSA-N 1 0 226.320 1.463 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000000263187 383848257 /nfs/dbraw/zinc/84/82/57/383848257.db2.gz RJPWMVXLQUITBW-SNVBAGLBSA-N 1 0 239.315 1.828 50 0 BDAARO c1ccc2c(c1)nnn2C[NH+]1CCCC1 ZINC000000349517 383857057 /nfs/dbraw/zinc/85/70/57/383857057.db2.gz URXUWDKSGHWDFQ-UHFFFAOYSA-N 1 0 202.261 1.485 50 0 BDAARO C[NH+](C)CCO[C@@H]1COCc2ccccc21 ZINC000000377854 383860136 /nfs/dbraw/zinc/86/01/36/383860136.db2.gz GWHIHIWWLVHTFJ-CYBMUJFWSA-N 1 0 221.300 1.836 50 0 BDAARO O=C1O[C@]2(CCC[NH2+]C2)c2ccccc21 ZINC000066347995 383861923 /nfs/dbraw/zinc/86/19/23/383861923.db2.gz TZVXKRQCQSKVAY-LBPRGKRZSA-N 1 0 203.241 1.436 50 0 BDAARO CSCCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000158410760 383928478 /nfs/dbraw/zinc/92/84/78/383928478.db2.gz OHSLLOJTRULSBC-QWRGUYRKSA-N 1 0 244.404 1.763 50 0 BDAARO CCOCC[NH2+][C@H](C)[C@@H](C)n1cc(C)cn1 ZINC000071882258 383888586 /nfs/dbraw/zinc/88/85/86/383888586.db2.gz LKXRYABZBJMOCI-VXGBXAGGSA-N 1 0 225.336 1.767 50 0 BDAARO C[NH+](C)CCCNC(=O)COc1ccccc1 ZINC000002900933 383993202 /nfs/dbraw/zinc/99/32/02/383993202.db2.gz NLRMZSOKPSIULU-UHFFFAOYSA-N 1 0 236.315 1.133 50 0 BDAARO CCN(CC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000067758980 383944416 /nfs/dbraw/zinc/94/44/16/383944416.db2.gz XZTZYCWJCCPVGZ-ZDUSSCGKSA-N 1 0 226.364 1.487 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)CCC(F)(F)F ZINC000158431402 383951497 /nfs/dbraw/zinc/95/14/97/383951497.db2.gz YVAAESOQHXRUBU-LURJTMIESA-N 1 0 212.215 1.135 50 0 BDAARO CSC[C@@H](C)[NH2+]CCCn1nc(C)nc1C ZINC000067908187 383958983 /nfs/dbraw/zinc/95/89/83/383958983.db2.gz XHRPXYJPXOKNTK-SECBINFHSA-N 1 0 242.392 1.626 50 0 BDAARO CSC[C@H](C)[NH2+]CCCn1nc(C)nc1C ZINC000067908186 383959596 /nfs/dbraw/zinc/95/95/96/383959596.db2.gz XHRPXYJPXOKNTK-VIFPVBQESA-N 1 0 242.392 1.626 50 0 BDAARO CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000002510827 383968387 /nfs/dbraw/zinc/96/83/87/383968387.db2.gz CMSWETNAAPYFSH-CYBMUJFWSA-N 1 0 218.300 1.397 50 0 BDAARO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1 ZINC000158573276 384020407 /nfs/dbraw/zinc/02/04/07/384020407.db2.gz QNVFOUAMZDXEEL-IAQYHMDHSA-N 1 0 225.357 1.885 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000004204178 384045347 /nfs/dbraw/zinc/04/53/47/384045347.db2.gz LVZARJOZJFAOQF-GFCCVEGCSA-N 1 0 234.299 1.604 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+][C@H]2CC1 ZINC000090635807 384065834 /nfs/dbraw/zinc/06/58/34/384065834.db2.gz UAPBLNAOCMMCAZ-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO C[NH+](C)C[C@H](O)[C@@H]1CCOC(C)(C)C1 ZINC000004697678 384075155 /nfs/dbraw/zinc/07/51/55/384075155.db2.gz JIWIONXENNGZDF-ZJUUUORDSA-N 1 0 201.310 1.114 50 0 BDAARO c1ccc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000115372913 384081056 /nfs/dbraw/zinc/08/10/56/384081056.db2.gz GZJSUAYJZVDLIO-ZACCUICWSA-N 1 0 204.273 1.743 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000004999746 384094949 /nfs/dbraw/zinc/09/49/49/384094949.db2.gz HKZOFDWPBMDYHA-LLVKDONJSA-N 1 0 237.299 1.318 50 0 BDAARO CC(C)[N@@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091665151 384135647 /nfs/dbraw/zinc/13/56/47/384135647.db2.gz KPSOTQBVKYIZHC-OCCSQVGLSA-N 1 0 241.375 1.894 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000039951991 384124573 /nfs/dbraw/zinc/12/45/73/384124573.db2.gz OQLARKAOVCMSQV-CYBMUJFWSA-N 1 0 248.326 1.912 50 0 BDAARO Cc1nn(C)cc1CN1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091381775 384126492 /nfs/dbraw/zinc/12/64/92/384126492.db2.gz AFCWDGHFAAQDFC-OLZOCXBDSA-N 1 0 236.363 1.144 50 0 BDAARO CCC[C@H]1CN(C(=O)c2ccsc2)C[C@@H]1[NH3+] ZINC000091907505 384153507 /nfs/dbraw/zinc/15/35/07/384153507.db2.gz FLBMFCUFDGCIDP-ONGXEEELSA-N 1 0 238.356 1.948 50 0 BDAARO CC[C@]1(CO)CCC[N@H+](Cc2cnc(C)cn2)C1 ZINC000091932690 384154849 /nfs/dbraw/zinc/15/48/49/384154849.db2.gz NJRDUZRICFJCQT-AWEZNQCLSA-N 1 0 249.358 1.770 50 0 BDAARO [NH3+]Cc1ccc(COC2CCOCC2)cc1 ZINC000040992540 384171624 /nfs/dbraw/zinc/17/16/24/384171624.db2.gz AFOAYZQLYGSYAE-UHFFFAOYSA-N 1 0 221.300 1.841 50 0 BDAARO CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000071805249 384181623 /nfs/dbraw/zinc/18/16/23/384181623.db2.gz CSPVADJKOUWDHR-GFCCVEGCSA-N 1 0 232.327 1.912 50 0 BDAARO CCCCCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000071920938 384199182 /nfs/dbraw/zinc/19/91/82/384199182.db2.gz GMIBMSRXNHQKLE-NSHDSACASA-N 1 0 248.392 1.320 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000072194290 384200569 /nfs/dbraw/zinc/20/05/69/384200569.db2.gz JXQPSCYGAWSTQP-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO CC/C=C(/C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069725088 384259318 /nfs/dbraw/zinc/25/93/18/384259318.db2.gz HYDQSJYUQCVBSG-AUSWNFFYSA-N 1 0 224.348 1.929 50 0 BDAARO CC[C@@H]1C[N@H+](CC)CCN1c1ccnc(C)n1 ZINC000408519739 384277683 /nfs/dbraw/zinc/27/76/83/384277683.db2.gz XEUJLECGSJQYLH-GFCCVEGCSA-N 1 0 234.347 1.706 50 0 BDAARO C[NH+](C)CCn1cnc2cc(F)ccc2c1=O ZINC000043082551 384264316 /nfs/dbraw/zinc/26/43/16/384264316.db2.gz NIIQNUNZOHQMQT-UHFFFAOYSA-N 1 0 235.262 1.097 50 0 BDAARO c1ccc2c(c1)onc2N1CC[NH2+]CC1 ZINC000012359680 384313818 /nfs/dbraw/zinc/31/38/18/384313818.db2.gz ZDFQBFVFCPABKQ-UHFFFAOYSA-N 1 0 203.245 1.237 50 0 BDAARO O=C1NC[C@@H](c2ccccc2)[C@]12CCC[NH2+]C2 ZINC000044136824 384316097 /nfs/dbraw/zinc/31/60/97/384316097.db2.gz KIALTMINMJWBTC-GXTWGEPZSA-N 1 0 230.311 1.270 50 0 BDAARO c1cc([C@H]2CC[N@@H+]([C@H]3CCOC3)C2)ccn1 ZINC000408522554 384287615 /nfs/dbraw/zinc/28/76/15/384287615.db2.gz BFXZGHLNOZPMRC-STQMWFEESA-N 1 0 218.300 1.660 50 0 BDAARO CCOCCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525724 384290119 /nfs/dbraw/zinc/29/01/19/384290119.db2.gz WVMAELSNISZUCY-LBPRGKRZSA-N 1 0 245.363 1.967 50 0 BDAARO C[NH+](C)[C@@H]1[C@H]2CN(c3nc4ccccc4o3)C[C@H]21 ZINC000408523526 384290379 /nfs/dbraw/zinc/29/03/79/384290379.db2.gz SNKWUINQAUKHFM-IWIIMEHWSA-N 1 0 243.310 1.824 50 0 BDAARO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000011754503 384295754 /nfs/dbraw/zinc/29/57/54/384295754.db2.gz NVGKGSSYWJOXBM-NSHDSACASA-N 1 0 218.300 1.994 50 0 BDAARO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000011897057 384300914 /nfs/dbraw/zinc/30/09/14/384300914.db2.gz BNJNKUCNFQWIMG-JTQLQIEISA-N 1 0 225.313 1.212 50 0 BDAARO O=C(C1CC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000012955111 384343112 /nfs/dbraw/zinc/34/31/12/384343112.db2.gz BAUPZLTVOMQSAD-UHFFFAOYSA-N 1 0 244.338 1.571 50 0 BDAARO [NH3+]Cc1cccc(CN2CCCC2=O)c1 ZINC000013483607 384362126 /nfs/dbraw/zinc/36/21/26/384362126.db2.gz KRFATMODVNOAJV-UHFFFAOYSA-N 1 0 204.273 1.268 50 0 BDAARO C[C@H](O)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000095419034 384374472 /nfs/dbraw/zinc/37/44/72/384374472.db2.gz PJMILUCFVQNPJP-GWCFXTLKSA-N 1 0 237.368 1.987 50 0 BDAARO [NH3+]CCc1ncccc1Br ZINC000044399142 384330563 /nfs/dbraw/zinc/33/05/63/384330563.db2.gz PKXAFLKMOOGPKP-UHFFFAOYSA-N 1 0 201.067 1.345 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C[NH3+])C1 ZINC000095742849 384392948 /nfs/dbraw/zinc/39/29/48/384392948.db2.gz LWGUJVHTMSGIMN-SKDRFNHKSA-N 1 0 226.320 1.592 50 0 BDAARO Fc1ccc(C[NH2+][C@H]2CCCOC2)nc1 ZINC000335619998 384394335 /nfs/dbraw/zinc/39/43/35/384394335.db2.gz UGISXQUSZPKFTI-NSHDSACASA-N 1 0 210.252 1.489 50 0 BDAARO COc1ccc(OC[C@H]2CC[NH2+]C2)cc1 ZINC000014632424 384399402 /nfs/dbraw/zinc/39/94/02/384399402.db2.gz RYMNYILARRKHOM-JTQLQIEISA-N 1 0 207.273 1.684 50 0 BDAARO CC(C)(C)OC(=O)N[C@@]1(C)C[NH2+]CC12CC2 ZINC000095836117 384402644 /nfs/dbraw/zinc/40/26/44/384402644.db2.gz BHLVLQHHOVKCOT-NSHDSACASA-N 1 0 226.320 1.653 50 0 BDAARO [NH3+][C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000095939950 384416456 /nfs/dbraw/zinc/41/64/56/384416456.db2.gz RCXZIISFWJVMFA-MRVPVSSYSA-N 1 0 231.704 1.517 50 0 BDAARO c1cn(CC2CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000096032238 384421485 /nfs/dbraw/zinc/42/14/85/384421485.db2.gz YBJCYZMJTCHDPI-LLVKDONJSA-N 1 0 205.305 1.760 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccccn1 ZINC000097139298 384379082 /nfs/dbraw/zinc/37/90/82/384379082.db2.gz MBCRACSOWPTXSS-AWEZNQCLSA-N 1 0 233.359 1.854 50 0 BDAARO O=C1CC[C@@H]2C[NH2+]CC[C@@H]2N1Cc1ccccn1 ZINC000160012636 384379458 /nfs/dbraw/zinc/37/94/58/384379458.db2.gz VGSTVPSPCPLXPF-YPMHNXCESA-N 1 0 245.326 1.182 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccncc1 ZINC000097139314 384379415 /nfs/dbraw/zinc/37/94/15/384379415.db2.gz OJNJCPCPRKPACE-CQSZACIVSA-N 1 0 233.359 1.854 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N1CCc2ccccc21 ZINC000015861531 384446024 /nfs/dbraw/zinc/44/60/24/384446024.db2.gz VLCCDHGPPGZONP-GFCCVEGCSA-N 1 0 218.300 1.559 50 0 BDAARO CCO[C@@H]1C[C@@H](N(C)C(=O)C[NH3+])C1(CC)CC ZINC000121858783 384442960 /nfs/dbraw/zinc/44/29/60/384442960.db2.gz QCKOSMDSLSCDIY-GHMZBOCLSA-N 1 0 242.363 1.387 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000019391508 384518048 /nfs/dbraw/zinc/51/80/48/384518048.db2.gz HYJBAQRUUJIMAS-SECBINFHSA-N 1 0 233.233 1.815 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000019390530 384520302 /nfs/dbraw/zinc/52/03/02/384520302.db2.gz LKLSRQNEJKQAJZ-QMMMGPOBSA-N 1 0 233.233 1.815 50 0 BDAARO CNc1cc([C@@H]2CCCC[NH2+]2)nc(C)n1 ZINC000019686824 384531147 /nfs/dbraw/zinc/53/11/47/384531147.db2.gz KVXFJCZBCLRUGM-VIFPVBQESA-N 1 0 206.293 1.641 50 0 BDAARO [NH3+]C[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000019669366 384532752 /nfs/dbraw/zinc/53/27/52/384532752.db2.gz YMCDGSOVLJAQPW-GFCCVEGCSA-N 1 0 218.300 1.036 50 0 BDAARO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC000019881564 384549534 /nfs/dbraw/zinc/54/95/34/384549534.db2.gz OTIMFDDQWBRHNR-GXSJLCMTSA-N 1 0 232.283 1.095 50 0 BDAARO CN(C)[C@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1O ZINC000097637948 384538561 /nfs/dbraw/zinc/53/85/61/384538561.db2.gz UNSGWYVHFLAKMS-GJZGRUSLSA-N 1 0 248.370 1.226 50 0 BDAARO [NH3+]CCn1c2ccccc2nc1C1CC1 ZINC000020223147 384603918 /nfs/dbraw/zinc/60/39/18/384603918.db2.gz UKYQOEISFNOFKG-UHFFFAOYSA-N 1 0 201.273 1.872 50 0 BDAARO [NH3+]Cc1ccnc(OC2CCOCC2)c1 ZINC000020357689 384612900 /nfs/dbraw/zinc/61/29/00/384612900.db2.gz HQJIPLPCDHLOFW-UHFFFAOYSA-N 1 0 208.261 1.098 50 0 BDAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ncc[nH]1 ZINC000095448847 384619876 /nfs/dbraw/zinc/61/98/76/384619876.db2.gz XUHKVBLMBKXSIK-VHSXEESVSA-N 1 0 235.287 1.605 50 0 BDAARO CC[NH+](CC)CCN1CCOC[C@H]1C1CC1 ZINC000097050882 384622520 /nfs/dbraw/zinc/62/25/20/384622520.db2.gz NMYUUNUNSRXISN-ZDUSSCGKSA-N 1 0 226.364 1.439 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H]1C(F)F ZINC000066351309 384629185 /nfs/dbraw/zinc/62/91/85/384629185.db2.gz RBKSKJDQWDXKGU-RQJHMYQMSA-N 1 0 236.262 1.588 50 0 BDAARO C[NH+](C)CCN1CCCNc2ccccc21 ZINC000034453031 384667918 /nfs/dbraw/zinc/66/79/18/384667918.db2.gz CRPLOJCAANRIRN-UHFFFAOYSA-N 1 0 219.332 1.870 50 0 BDAARO CCOCCOc1cc(C)ccc1C[NH3+] ZINC000051580618 384672254 /nfs/dbraw/zinc/67/22/54/384672254.db2.gz IIQGGQPQJLNZLO-UHFFFAOYSA-N 1 0 209.289 1.869 50 0 BDAARO O=NN1CC[NH+](Cc2ccccc2)CC1 ZINC000022051026 384727536 /nfs/dbraw/zinc/72/75/36/384727536.db2.gz PZNHQMMDZKTYDZ-UHFFFAOYSA-N 1 0 205.261 1.486 50 0 in-vitro BDAARO c1ccc(OCCC[NH2+][C@H]2CCCNC2)cc1 ZINC000052092149 384713171 /nfs/dbraw/zinc/71/31/71/384713171.db2.gz JYSVEBIGDHILDT-ZDUSSCGKSA-N 1 0 234.343 1.797 50 0 BDAARO CC[C@@H]([NH3+])c1ccccc1OCC(=O)N(C)C ZINC000022218399 384742853 /nfs/dbraw/zinc/74/28/53/384742853.db2.gz MUYZGWJXMVGEPW-LLVKDONJSA-N 1 0 236.315 1.563 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CCC[C@H]([NH3+])C1 ZINC000178321219 384748663 /nfs/dbraw/zinc/74/86/63/384748663.db2.gz GWJAXXQSAIPEBV-VFNNOXKTSA-N 1 0 244.338 1.958 50 0 BDAARO Cc1ccc2c(c1)[C@@H](C(N)=O)[NH2+]CC2(C)C ZINC000218778252 384780112 /nfs/dbraw/zinc/78/01/12/384780112.db2.gz QKCYNHLHEBPQLR-NSHDSACASA-N 1 0 218.300 1.402 50 0 BDAARO NNc1ccc(C(=O)NCc2ccccc2)c[nH+]1 ZINC000051092333 384768877 /nfs/dbraw/zinc/76/88/77/384768877.db2.gz SJVHOEXUUAOBTR-UHFFFAOYSA-N 1 0 242.282 1.297 50 0 BDAARO C[C@@H]1C[C@H](O)C[N@@H+]1CC1CC(F)(F)C1 ZINC000307732748 384769346 /nfs/dbraw/zinc/76/93/46/384769346.db2.gz MBPTZZRGCORQTJ-APPZFPTMSA-N 1 0 205.248 1.487 50 0 BDAARO C[NH2+][C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000053201759 384771795 /nfs/dbraw/zinc/77/17/95/384771795.db2.gz AABMYFLDDQNUME-AWEZNQCLSA-N 1 0 230.355 1.838 50 0 BDAARO Cn1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cn1 ZINC000336236157 384840219 /nfs/dbraw/zinc/84/02/19/384840219.db2.gz SZNRXCXVVWKZPX-GFCCVEGCSA-N 1 0 237.347 1.403 50 0 BDAARO CO[C@H]1C[N@H+](Cc2cncnc2)CC[C@@H]1C ZINC000188297655 384888591 /nfs/dbraw/zinc/88/85/91/384888591.db2.gz JDULLGWROWRSSQ-JQWIXIFHSA-N 1 0 221.304 1.333 50 0 BDAARO C[C@@H]1[C@@H]([NH3+])CCCN1C(=O)OC(C)(C)C ZINC000084237409 384851885 /nfs/dbraw/zinc/85/18/85/384851885.db2.gz ZGIHBYXILBKXGA-BDAKNGLRSA-N 1 0 214.309 1.733 50 0 BDAARO Cc1n[nH]cc1CCC[NH2+]Cc1cncs1 ZINC000054788430 384853891 /nfs/dbraw/zinc/85/38/91/384853891.db2.gz DNNVGUXISPKKQK-UHFFFAOYSA-N 1 0 236.344 1.897 50 0 BDAARO [NH3+]C[C@H](O)c1cccc(OC(F)F)c1 ZINC000084374531 384861731 /nfs/dbraw/zinc/86/17/31/384861731.db2.gz NKEMCDXOGFYLCQ-QMMMGPOBSA-N 1 0 203.188 1.280 50 0 BDAARO COC(=O)c1occc1CN1CCCC1 ZINC000057941473 384972699 /nfs/dbraw/zinc/97/26/99/384972699.db2.gz DJFKLIWAXICQQX-UHFFFAOYSA-N 1 0 209.245 1.662 50 0 BDAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000023280188 384993794 /nfs/dbraw/zinc/99/37/94/384993794.db2.gz XBSBBFKKDNXOBK-ZDUSSCGKSA-N 1 0 249.310 1.430 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000255509290 385028419 /nfs/dbraw/zinc/02/84/19/385028419.db2.gz QYRKYICMJUBENM-FWWRYZNZSA-N 1 0 248.301 1.789 50 0 BDAARO [NH3+]CCc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000061844071 385141121 /nfs/dbraw/zinc/14/11/21/385141121.db2.gz GKUMMTJCSYLTOT-UHFFFAOYSA-N 1 0 222.679 1.626 50 0 BDAARO FC(F)(F)c1ccnc(C2CC[NH2+]CC2)n1 ZINC000062701798 385182030 /nfs/dbraw/zinc/18/20/30/385182030.db2.gz YPYPPQVTDZINMA-UHFFFAOYSA-N 1 0 231.221 1.962 50 0 BDAARO CC(C)N(CC(N)=O)C[C@@H]1CCC[N@@H+]1C ZINC000328599669 385186012 /nfs/dbraw/zinc/18/60/12/385186012.db2.gz SUGSVKWGXYRJGW-JTQLQIEISA-N 1 0 213.325 1.326 50 0 BDAARO CCCCN(C)CC[NH2+][C@@H]1CCSC1 ZINC000096477510 385197137 /nfs/dbraw/zinc/19/71/37/385197137.db2.gz SANASNARJZULAQ-LLVKDONJSA-N 1 0 216.394 1.813 50 0 BDAARO CN1C(=O)CC[C@@H]([NH3+])[C@@H]1c1cccs1 ZINC000062211250 385165829 /nfs/dbraw/zinc/16/58/29/385165829.db2.gz YDYGHSWEGVRINQ-GMSGAONNSA-N 1 0 210.302 1.369 50 0 BDAARO c1cnc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cn1 ZINC000063084490 385208737 /nfs/dbraw/zinc/20/87/37/385208737.db2.gz TYEIYXMVYBWDHH-VIFPVBQESA-N 1 0 245.286 1.069 50 0 BDAARO COC[C@@H](O)C[NH2+][C@H](C)c1ncc(C)s1 ZINC000126123762 385210341 /nfs/dbraw/zinc/21/03/41/385210341.db2.gz BOIQJFPLRXJGRH-BDAKNGLRSA-N 1 0 230.333 1.109 50 0 BDAARO CC(C)(C)c1nc(CN2CCCC2)no1 ZINC000051125763 385253326 /nfs/dbraw/zinc/25/33/26/385253326.db2.gz IBZRFBVBZULFLJ-UHFFFAOYSA-N 1 0 209.293 1.963 50 0 BDAARO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)CO)cc1 ZINC000065396509 385306332 /nfs/dbraw/zinc/30/63/32/385306332.db2.gz SHBSKHUHIVDWQG-NSHDSACASA-N 1 0 245.326 1.651 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000050228744 385315721 /nfs/dbraw/zinc/31/57/21/385315721.db2.gz XEQHRWWXHQEZHN-UXONFWTHSA-N 1 0 234.274 1.399 50 0 BDAARO C[NH+](C)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000034081934 385273920 /nfs/dbraw/zinc/27/39/20/385273920.db2.gz FQCYGFFRWTZCGJ-AWEZNQCLSA-N 1 0 234.343 1.449 50 0 BDAARO C(c1noc(C2CCOCC2)n1)[C@H]1CC[NH2+]C1 ZINC000169676349 385416390 /nfs/dbraw/zinc/41/63/90/385416390.db2.gz BMGQCLWMANVSFZ-SECBINFHSA-N 1 0 237.303 1.116 50 0 BDAARO COc1cc(C[NH2+][C@H]2C[C@@H]2C)cc2c1OCCO2 ZINC000052274882 385718954 /nfs/dbraw/zinc/71/89/54/385718954.db2.gz PSZOHWXEDDZGHC-ONGXEEELSA-N 1 0 249.310 1.964 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000215654103 385847328 /nfs/dbraw/zinc/84/73/28/385847328.db2.gz QJZVNVXPXCKEEX-DTIDVZRVSA-N 1 0 238.331 1.604 50 0 BDAARO C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)C1 ZINC000408521787 385862260 /nfs/dbraw/zinc/86/22/60/385862260.db2.gz HNZOBIIOAJLDMA-OKILXGFUSA-N 1 0 219.328 1.932 50 0 BDAARO CC[C@@H]([NH2+]C(CO)CO)c1ccc(Cl)s1 ZINC000095968606 385881556 /nfs/dbraw/zinc/88/15/56/385881556.db2.gz WGYCUJNCLIYGIT-MRVPVSSYSA-N 1 0 249.763 1.795 50 0 BDAARO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CCC1CC1 ZINC000182676737 385882269 /nfs/dbraw/zinc/88/22/69/385882269.db2.gz GSMCCVIZSQYQCV-MWLCHTKSSA-N 1 0 212.337 1.618 50 0 BDAARO C[C@@H]1[N@H+](C)CCC[C@@]1(O)c1ccccc1 ZINC000071773093 385939674 /nfs/dbraw/zinc/93/96/74/385939674.db2.gz UWCHAPASBQUAQW-AAEUAGOBSA-N 1 0 205.301 1.988 50 0 BDAARO CC(C)[C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O ZINC000086503747 386162580 /nfs/dbraw/zinc/16/25/80/386162580.db2.gz WMXQLLWQVLIDMP-VIFPVBQESA-N 1 0 221.366 1.444 50 0 BDAARO Cc1nc(C)c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)o1 ZINC000132724196 386251205 /nfs/dbraw/zinc/25/12/05/386251205.db2.gz VTBBSXADTAJVPJ-YUMQZZPRSA-N 1 0 237.303 1.114 50 0 BDAARO C[N@H+](CCc1nccs1)Cc1cn[nH]c1 ZINC000225535604 386199982 /nfs/dbraw/zinc/19/99/82/386199982.db2.gz MLQWERHTBQENLU-UHFFFAOYSA-N 1 0 222.317 1.541 50 0 BDAARO COC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000034361005 386432816 /nfs/dbraw/zinc/43/28/16/386432816.db2.gz MVOKZEPYCPVZGX-LLVKDONJSA-N 1 0 219.284 1.852 50 0 BDAARO CCc1ccc(O)c(NC(=O)[C@H](C)[NH3+])c1 ZINC000087050083 386436258 /nfs/dbraw/zinc/43/62/58/386436258.db2.gz MYGYHMGWYJAILV-ZETCQYMHSA-N 1 0 208.261 1.240 50 0 BDAARO Cc1cc(F)cc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000135222746 386487783 /nfs/dbraw/zinc/48/77/83/386487783.db2.gz IYLDHHODENTRJF-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO CC[C@H]1C[NH2+]Cc2cc(OC)ccc2O1 ZINC000299778911 386490311 /nfs/dbraw/zinc/49/03/11/386490311.db2.gz IPSPIGDCJGDPRF-JTQLQIEISA-N 1 0 207.273 1.956 50 0 BDAARO C[N@@H+]1CC[C@@H](CC(=O)NCCc2ccccn2)C1 ZINC000585120938 386671694 /nfs/dbraw/zinc/67/16/94/386671694.db2.gz YKMSVZHZSFINMN-LBPRGKRZSA-N 1 0 247.342 1.082 50 0 BDAARO Cn1cccc1C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000585129883 386685234 /nfs/dbraw/zinc/68/52/34/386685234.db2.gz APTSWXIKAXDCJX-RYUDHWBXSA-N 1 0 249.358 1.484 50 0 BDAARO Cn1cccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000335533503 386733876 /nfs/dbraw/zinc/73/38/76/386733876.db2.gz VXQUWFZXMUOIGB-UHFFFAOYSA-N 1 0 249.358 1.628 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000053145048 386723040 /nfs/dbraw/zinc/72/30/40/386723040.db2.gz XMOCDNAROYLOLO-ZDUSSCGKSA-N 1 0 246.354 1.653 50 0 BDAARO FC[C@H]1C[N@H+](C[C@H]2CCSC2)CCO1 ZINC000334860313 386913077 /nfs/dbraw/zinc/91/30/77/386913077.db2.gz XMFAEQHEIHZQIG-ZJUUUORDSA-N 1 0 219.325 1.410 50 0 BDAARO O=C(Nc1cccc(F)c1F)NC1C[NH2+]C1 ZINC000334869608 386927670 /nfs/dbraw/zinc/92/76/70/386927670.db2.gz QABBQDSWUIBJBO-UHFFFAOYSA-N 1 0 227.214 1.058 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC(F)(F)F)C[C@@H]12 ZINC000185083134 386964816 /nfs/dbraw/zinc/96/48/16/386964816.db2.gz LHJWXPGDHRRWHU-XLPZGREQSA-N 1 0 236.237 1.135 50 0 BDAARO c1csc(-c2cc(N3CCC[NH2+]CC3)n[nH]2)c1 ZINC000070460013 387067846 /nfs/dbraw/zinc/06/78/46/387067846.db2.gz MXYHRFUXVSNIJC-UHFFFAOYSA-N 1 0 248.355 1.938 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000369450158 387197766 /nfs/dbraw/zinc/19/77/66/387197766.db2.gz BOZRNHAQKWLPIJ-VWYCJHECSA-N 1 0 210.321 1.515 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)/C=C/c1cccnc1 ZINC000237955739 387201839 /nfs/dbraw/zinc/20/18/39/387201839.db2.gz ZHSITTGUFHMRJA-KTRBRXNASA-N 1 0 245.326 1.435 50 0 BDAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](O)C2)s1 ZINC000265974711 387306374 /nfs/dbraw/zinc/30/63/74/387306374.db2.gz CWEHVMWGWZGPMU-SNVBAGLBSA-N 1 0 226.345 1.717 50 0 BDAARO CCc1cc(O)ccc1NC(=O)CN(C)C ZINC000191090687 387338058 /nfs/dbraw/zinc/33/80/58/387338058.db2.gz ZFGPZZAGEHKVGY-UHFFFAOYSA-N 1 0 222.288 1.455 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000108301166 387477969 /nfs/dbraw/zinc/47/79/69/387477969.db2.gz XPQVLDFQGLIDLT-GHMZBOCLSA-N 1 0 241.306 1.826 50 0 BDAARO CC1(C)C[C@@H]([NH2+]CCc2nnc[nH]2)C(C)(C)O1 ZINC000094424532 387851562 /nfs/dbraw/zinc/85/15/62/387851562.db2.gz BMLLGIWYOPYZHW-SECBINFHSA-N 1 0 238.335 1.283 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@H](O)[C@@H](C)C1 ZINC000249007000 387988660 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/nfs/dbraw/zinc/21/15/18/170211518.db2.gz ZICPSIPRRMFEOA-UHFFFAOYSA-N 1 0 207.273 1.641 50 0 BDAARO CCOC(=O)COc1ccc(CC[NH3+])cc1 ZINC000037490440 170228764 /nfs/dbraw/zinc/22/87/64/170228764.db2.gz MEEXXWXSOPKRTC-UHFFFAOYSA-N 1 0 223.272 1.130 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1cccc(O)c1 ZINC000000053413 170233844 /nfs/dbraw/zinc/23/38/44/170233844.db2.gz PDADOBFUFCHAHV-JTQLQIEISA-N 1 0 209.245 1.345 50 0 BDAARO CCOC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000004312774 170239443 /nfs/dbraw/zinc/23/94/43/170239443.db2.gz QUSZESQSWSUKQT-UHFFFAOYSA-N 1 0 240.347 1.855 50 0 BDAARO CCOC(=O)[C@@H]1CCCC[C@@]12[NH2+]CCS2 ZINC000095933048 170257368 /nfs/dbraw/zinc/25/73/68/170257368.db2.gz YALOUAXWOGQLRS-ONGXEEELSA-N 1 0 229.345 1.772 50 0 BDAARO CCOC(=O)[C@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000123023021 170266974 /nfs/dbraw/zinc/26/69/74/170266974.db2.gz OWRIXYWRIMIHSH-JTQLQIEISA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000253392901 170270726 /nfs/dbraw/zinc/27/07/26/170270726.db2.gz ZOLCUZCTGCRQPN-WISYIIOYSA-N 1 0 243.347 1.731 50 0 BDAARO CCOC(=O)[C@]1(C)CCC[N@@H+]1CCCOC ZINC000089978194 170285563 /nfs/dbraw/zinc/28/55/63/170285563.db2.gz OFOIBSMRLSBDAL-LBPRGKRZSA-N 1 0 229.320 1.441 50 0 BDAARO CCOC(=O)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC000042775512 170299862 /nfs/dbraw/zinc/29/98/62/170299862.db2.gz AGBPHKZAELDPIP-LLVKDONJSA-N 1 0 249.310 1.994 50 0 BDAARO CCOC(=O)c1cnn(-c2cc[nH+]c(NC)c2)c1 ZINC000097463408 170303506 /nfs/dbraw/zinc/30/35/06/170303506.db2.gz KFHRZXKSBWAWIR-UHFFFAOYSA-N 1 0 246.270 1.486 50 0 BDAARO CCOCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000096422443 170357963 /nfs/dbraw/zinc/35/79/63/170357963.db2.gz UKDYTTRSSAXBRW-NWDGAFQWSA-N 1 0 242.363 1.212 50 0 BDAARO CC[N@@H+]1CCCC[C@H]1CNc1nccnc1F ZINC000521398363 411630554 /nfs/dbraw/zinc/63/05/54/411630554.db2.gz AVHIXDVDLXNOIZ-JTQLQIEISA-N 1 0 238.310 1.902 50 0 BDAARO CCS[C@@H]1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC000076070688 170650249 /nfs/dbraw/zinc/65/02/49/170650249.db2.gz ARZZJJLKSVCRRZ-GRYCIOLGSA-N 1 0 247.404 1.600 50 0 BDAARO CC[C@@](C)(CCO)[NH2+]Cc1ccc(CO)o1 ZINC000089942054 171164646 /nfs/dbraw/zinc/16/46/46/171164646.db2.gz YKBPSHGYOPRORB-LBPRGKRZSA-N 1 0 227.304 1.413 50 0 BDAARO CC[C@H](C)C12CN3CC(C)(C[N@H+](C1)CC3)C2=O ZINC000019800217 171257513 /nfs/dbraw/zinc/25/75/13/171257513.db2.gz YWHVIIYCCSYIKL-XGNXJENSSA-N 1 0 236.359 1.239 50 0 BDAARO CCc1ccccc1OCC(=O)N1CC[C@H]([NH3+])C1 ZINC000237033611 171890131 /nfs/dbraw/zinc/89/01/31/171890131.db2.gz RMOOQNAZSZIMCY-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO CCc1nc2cc(NC(=O)[C@@H](C)[NH3+])ccc2o1 ZINC000037770430 172012628 /nfs/dbraw/zinc/01/26/28/172012628.db2.gz MYAUZRYHPVIMTP-SSDOTTSWSA-N 1 0 233.271 1.676 50 0 BDAARO CCn1c[n+](Cc2ccccc2Cl)cn1 ZINC000252498540 172149268 /nfs/dbraw/zinc/14/92/68/172149268.db2.gz REHCWXSKPCJKSB-UHFFFAOYSA-N 1 0 222.699 1.892 50 0 BDAARO CCn1nccc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000253370525 172265739 /nfs/dbraw/zinc/26/57/39/172265739.db2.gz RYCHEEHJNIKPGP-RYUDHWBXSA-N 1 0 237.347 1.496 50 0 BDAARO CN(C(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000019409145 172299374 /nfs/dbraw/zinc/29/93/74/172299374.db2.gz GUTOQBOCGOYORW-UHFFFAOYSA-N 1 0 218.300 1.649 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000095743135 172325259 /nfs/dbraw/zinc/32/52/59/172325259.db2.gz NWOXRBKNNRYSTO-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000064552824 172386410 /nfs/dbraw/zinc/38/64/10/172386410.db2.gz DZADJEVBHSLAIS-LBPRGKRZSA-N 1 0 249.358 1.325 50 0 BDAARO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000032851145 172386643 /nfs/dbraw/zinc/38/66/43/172386643.db2.gz UVOJHBQPQYICBE-CYBMUJFWSA-N 1 0 232.327 1.739 50 0 BDAARO CN(C)C(=O)c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000242701438 172392164 /nfs/dbraw/zinc/39/21/64/172392164.db2.gz WDVYZAAUHQVZPS-SECBINFHSA-N 1 0 219.288 1.208 50 0 BDAARO C[NH+](C)[C@@H](CNC(=O)C1CC1)c1ccsc1 ZINC000012348713 172521409 /nfs/dbraw/zinc/52/14/09/172521409.db2.gz HPPCPAXTYBFMEG-NSHDSACASA-N 1 0 238.356 1.877 50 0 BDAARO CN(CCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000071388679 172782705 /nfs/dbraw/zinc/78/27/05/172782705.db2.gz PDMMSZNLOBDKBE-AWEZNQCLSA-N 1 0 218.344 1.913 50 0 BDAARO C[NH+]1CCC(c2nncn2-c2cccnc2)CC1 ZINC000067726353 173001690 /nfs/dbraw/zinc/00/16/90/173001690.db2.gz PFKSDPPVSVURTQ-UHFFFAOYSA-N 1 0 243.314 1.472 50 0 BDAARO C[N@@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC000001593484 173012945 /nfs/dbraw/zinc/01/29/45/173012945.db2.gz IOPJXHXTEDRJNI-UHFFFAOYSA-N 1 0 232.327 1.393 50 0 BDAARO CN1CCC[N@H+](Cc2cccc(N)c2)CC1 ZINC000019372028 173015868 /nfs/dbraw/zinc/01/58/68/173015868.db2.gz ZSOSQWJKEPUOCI-UHFFFAOYSA-N 1 0 219.332 1.406 50 0 BDAARO C[N@@H+]1CCCN(c2ccc(Cl)nn2)CC1 ZINC000013491010 173017773 /nfs/dbraw/zinc/01/77/73/173017773.db2.gz LRAQITPFWFDXRM-UHFFFAOYSA-N 1 0 226.711 1.272 50 0 BDAARO CN1CCO[C@H](C[NH2+]C(C2CC2)C2CC2)C1 ZINC000082491906 173106570 /nfs/dbraw/zinc/10/65/70/173106570.db2.gz NCBJESZPBKSTSV-GFCCVEGCSA-N 1 0 224.348 1.095 50 0 BDAARO CN1CCO[C@H]([C@H]([NH3+])c2ccc(Cl)cc2)C1 ZINC000085796663 173108714 /nfs/dbraw/zinc/10/87/14/173108714.db2.gz RHYYQGWSIACSKC-NWDGAFQWSA-N 1 0 240.734 1.670 50 0 BDAARO C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000039091281 173122091 /nfs/dbraw/zinc/12/20/91/173122091.db2.gz ZAAYKTCDODPVPD-MRVPVSSYSA-N 1 0 200.282 1.215 50 0 BDAARO C[N@@H+]1CC[C@@H]2CCN(c3cnccn3)[C@@H]2C1 ZINC000272167980 173134067 /nfs/dbraw/zinc/13/40/67/173134067.db2.gz HFVVHBBLDUFKCH-GHMZBOCLSA-N 1 0 218.304 1.007 50 0 BDAARO CNC(=[NH2+])N[C@H](C)c1ccc(C)c(F)c1 ZINC000087370828 173211636 /nfs/dbraw/zinc/21/16/36/173211636.db2.gz PTBRRXAERXUXPJ-MRVPVSSYSA-N 1 0 209.268 1.939 50 0 BDAARO CNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000065626796 173273222 /nfs/dbraw/zinc/27/32/22/173273222.db2.gz VSMIOLZTXWWDDY-UHFFFAOYSA-N 1 0 232.327 1.612 50 0 BDAARO C[NH2+]CCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000037610653 173343621 /nfs/dbraw/zinc/34/36/21/173343621.db2.gz QQZPKELECJJYOT-NSHDSACASA-N 1 0 232.327 1.964 50 0 BDAARO C[NH2+]CCCOc1cc(OC)cc(OC)c1 ZINC000019669855 173349901 /nfs/dbraw/zinc/34/99/01/173349901.db2.gz FIFPZILNHJWWPU-UHFFFAOYSA-N 1 0 225.288 1.692 50 0 BDAARO C[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000000873739 173376631 /nfs/dbraw/zinc/37/66/31/173376631.db2.gz HLHFHHPIYHTRLK-ZDUSSCGKSA-N 1 0 231.295 1.799 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(C)nc1 ZINC000269186443 173380168 /nfs/dbraw/zinc/38/01/68/173380168.db2.gz GLDASHBYNZASMT-CYBMUJFWSA-N 1 0 247.342 1.143 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000071143309 173380454 /nfs/dbraw/zinc/38/04/54/173380454.db2.gz QPUCMQWMTSRIBV-CYBMUJFWSA-N 1 0 246.354 1.985 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000071144018 173381113 /nfs/dbraw/zinc/38/11/13/173381113.db2.gz APSKBLXTXPVJDG-GFCCVEGCSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+]Cc1nc(=O)c2cc(C(C)C)sc2[nH]1 ZINC000096302062 173395068 /nfs/dbraw/zinc/39/50/68/173395068.db2.gz PJNCCLVZLXWWCI-UHFFFAOYSA-N 1 0 237.328 1.827 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000020579445 173796439 /nfs/dbraw/zinc/79/64/39/173796439.db2.gz JEOWTUWCYJLKCG-VIFPVBQESA-N 1 0 211.236 1.116 50 0 BDAARO COC(=O)c1cc(-c2ccccc2C[NH3+])[nH]n1 ZINC000044831768 173848117 /nfs/dbraw/zinc/84/81/17/173848117.db2.gz XSVCOUJLMDHWGP-UHFFFAOYSA-N 1 0 231.255 1.322 50 0 BDAARO COC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000036047759 173882882 /nfs/dbraw/zinc/88/28/82/173882882.db2.gz DCIIDUWEEGRJPX-LLVKDONJSA-N 1 0 248.282 1.164 50 0 BDAARO COC1CCN(C[C@H]2CCCCC[NH2+]2)CC1 ZINC000081003027 174028755 /nfs/dbraw/zinc/02/87/55/174028755.db2.gz KXAONAVGWIVBAM-GFCCVEGCSA-N 1 0 226.364 1.629 50 0 BDAARO COCC1([NH2+][C@@H]2CCCNC2)CCCC1 ZINC000067697006 174111538 /nfs/dbraw/zinc/11/15/38/174111538.db2.gz BWUHPZNPLZPRRW-LLVKDONJSA-N 1 0 212.337 1.287 50 0 BDAARO COCCCN1CCC[N@H+](CC2CC2)CC1 ZINC000096476120 174229190 /nfs/dbraw/zinc/22/91/90/174229190.db2.gz UWOMPWVRJKLBPL-UHFFFAOYSA-N 1 0 226.364 1.441 50 0 BDAARO COCCCNC(=O)[C@@H](C)[NH2+]C1CCCC1 ZINC000034938752 174243706 /nfs/dbraw/zinc/24/37/06/174243706.db2.gz JMUYJJYISVPCCT-SNVBAGLBSA-N 1 0 228.336 1.060 50 0 BDAARO COCCN1CCC([NH2+]C2CC=CC2)CC1 ZINC000089414519 174304504 /nfs/dbraw/zinc/30/45/04/174304504.db2.gz YQFQUIQYVQEBJO-UHFFFAOYSA-N 1 0 224.348 1.405 50 0 BDAARO COCC[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000012383412 174336800 /nfs/dbraw/zinc/33/68/00/174336800.db2.gz DZTDXFXQVPBXNQ-NSHDSACASA-N 1 0 223.316 1.949 50 0 BDAARO COCc1nccc([C@@H]2CCC[NH2+]C2)n1 ZINC000047843757 174644638 /nfs/dbraw/zinc/64/46/38/174644638.db2.gz YXWRDZGFETVUFZ-SECBINFHSA-N 1 0 207.277 1.090 50 0 BDAARO COc1cc(C)ccc1OCC[NH+](C)C ZINC000004914987 174969196 /nfs/dbraw/zinc/96/91/96/174969196.db2.gz YKPKUEGVUCOSLD-UHFFFAOYSA-N 1 0 209.289 1.944 50 0 BDAARO COc1cc2c(cc1C[NH3+])OCCCO2 ZINC000012419684 175021342 /nfs/dbraw/zinc/02/13/42/175021342.db2.gz ZCMSWUHDHLIQNQ-UHFFFAOYSA-N 1 0 209.245 1.315 50 0 BDAARO COc1ccc(-c2c[nH]c(C[NH3+])n2)cc1 ZINC000036870937 175029890 /nfs/dbraw/zinc/02/98/90/175029890.db2.gz PFCDYFHUYFDMSC-UHFFFAOYSA-N 1 0 203.245 1.544 50 0 BDAARO COc1ccc(-c2noc(CCC[NH3+])n2)cc1 ZINC000020268719 175043496 /nfs/dbraw/zinc/04/34/96/175043496.db2.gz JVLQRBSCONPWCQ-UHFFFAOYSA-N 1 0 233.271 1.637 50 0 BDAARO COc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000006728612 175056207 /nfs/dbraw/zinc/05/62/07/175056207.db2.gz GGBOEBZFXBGDIS-UHFFFAOYSA-N 1 0 248.326 1.473 50 0 BDAARO COc1ccc(C(=O)O[C@H]2CCC[NH2+]C2)cc1 ZINC000042768856 175065330 /nfs/dbraw/zinc/06/53/30/175065330.db2.gz QSZQEXQRRXMAKL-LBPRGKRZSA-N 1 0 235.283 1.604 50 0 BDAARO COc1ccc(C[NH3+])cc1Cn1cccn1 ZINC000004235028 175097474 /nfs/dbraw/zinc/09/74/74/175097474.db2.gz JFFAOHPCMDBNOJ-UHFFFAOYSA-N 1 0 217.272 1.399 50 0 BDAARO COc1ccc(CNC(=O)C[NH2+]C(C)C)cc1 ZINC000037386066 175103873 /nfs/dbraw/zinc/10/38/73/175103873.db2.gz AQJFZVGCKHCJSX-UHFFFAOYSA-N 1 0 236.315 1.309 50 0 BDAARO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000019413494 175104702 /nfs/dbraw/zinc/10/47/02/175104702.db2.gz MQUGREMJNSYSJA-GFCCVEGCSA-N 1 0 234.299 1.063 50 0 BDAARO COc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000019410676 175146405 /nfs/dbraw/zinc/14/64/05/175146405.db2.gz OPHMOYRPIPIIHP-JTQLQIEISA-N 1 0 234.299 1.633 50 0 BDAARO COc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079510001 175146461 /nfs/dbraw/zinc/14/64/61/175146461.db2.gz DLMCYMLRKBIBRZ-CYBMUJFWSA-N 1 0 234.299 1.776 50 0 BDAARO COc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000019519101 175146589 /nfs/dbraw/zinc/14/65/89/175146589.db2.gz LXHBAITXXCTISP-LLVKDONJSA-N 1 0 222.288 1.617 50 0 BDAARO COc1ccc(OC)c([C@H](C)[NH2+]CCO)c1 ZINC000004476039 175169141 /nfs/dbraw/zinc/16/91/41/175169141.db2.gz WBFCXRMFLRGWSD-VIFPVBQESA-N 1 0 225.288 1.347 50 0 BDAARO COc1ccc([C@@H](C[NH3+])N2CCOCC2)cc1 ZINC000019362034 175178307 /nfs/dbraw/zinc/17/83/07/175178307.db2.gz ZDQVUBJFLWWYQA-CYBMUJFWSA-N 1 0 236.315 1.027 50 0 biogenic BDAARO COc1ccc([C@@H]2C[C@@H](O)CC[NH2+]2)cc1OC ZINC000041278405 175184096 /nfs/dbraw/zinc/18/40/96/175184096.db2.gz VDHXXHSCTRTPAC-QWRGUYRKSA-N 1 0 237.299 1.489 50 0 BDAARO COc1ccc([C@H]2[NH2+]CCc3nc[nH]c32)cc1 ZINC000004637223 175198836 /nfs/dbraw/zinc/19/88/36/175198836.db2.gz UOPHZIRDFPECOW-GFCCVEGCSA-N 1 0 229.283 1.653 50 0 biogenic BDAARO COc1ccc2c(c1)C(=O)CC1(CC[NH2+]CC1)O2 ZINC000011849207 175206723 /nfs/dbraw/zinc/20/67/23/175206723.db2.gz JMBDKWSDPYSSMG-UHFFFAOYSA-N 1 0 247.294 1.783 50 0 BDAARO COc1ccc2c(c1)[C@@H](CC[NH3+])C(=O)N2 ZINC000019702420 175213865 /nfs/dbraw/zinc/21/38/65/175213865.db2.gz BCXJSGVGMWGQEV-MRVPVSSYSA-N 1 0 206.245 1.080 50 0 biogenic BDAARO COc1cccc(C(=O)O[C@@H]2CCC[N@H+](C)C2)c1 ZINC000000552407 175247644 /nfs/dbraw/zinc/24/76/44/175247644.db2.gz GQBKMQROVLLWJE-CYBMUJFWSA-N 1 0 249.310 1.946 50 0 BDAARO COc1cccc(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000068692332 175258188 /nfs/dbraw/zinc/25/81/88/175258188.db2.gz WEWHKVMUXZUYQO-NSHDSACASA-N 1 0 220.316 1.489 50 0 BDAARO COc1cccc(CN2CCC[NH2+]CC2)c1 ZINC000019366941 175258512 /nfs/dbraw/zinc/25/85/12/175258512.db2.gz DQLMGHXVUWMDGK-UHFFFAOYSA-N 1 0 220.316 1.491 50 0 BDAARO COc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092543 175277398 /nfs/dbraw/zinc/27/73/98/175277398.db2.gz UUCJWBLAOLUTBJ-VHSXEESVSA-N 1 0 234.299 1.761 50 0 BDAARO COc1cccc([C@@H]2CC[NH2+]C2)c1OC ZINC000019088857 175289710 /nfs/dbraw/zinc/28/97/10/175289710.db2.gz HEPGYNRBQZZNML-SECBINFHSA-N 1 0 207.273 1.781 50 0 BDAARO COc1ccccc1N1C[C@H](C[NH3+])CC1=O ZINC000019669555 175335555 /nfs/dbraw/zinc/33/55/55/175335555.db2.gz BHGOHKXVSYJWFM-VIFPVBQESA-N 1 0 220.272 1.007 50 0 BDAARO COc1ccccc1OCCNC1=[NH+]CCC1 ZINC000004211265 175340342 /nfs/dbraw/zinc/34/03/42/175340342.db2.gz QGRILUPITYMMQK-UHFFFAOYSA-N 1 0 234.299 1.856 50 0 BDAARO COc1ccccc1[C@@H](C[NH3+])N1CCCC1 ZINC000038337195 175345694 /nfs/dbraw/zinc/34/56/94/175345694.db2.gz POEBBICUEKUPHT-GFCCVEGCSA-N 1 0 220.316 1.791 50 0 BDAARO COc1ccccc1[C@H](C[NH3+])N1CCCC1 ZINC000038337196 175353051 /nfs/dbraw/zinc/35/30/51/175353051.db2.gz POEBBICUEKUPHT-LBPRGKRZSA-N 1 0 220.316 1.791 50 0 BDAARO CSC[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237364642 175519193 /nfs/dbraw/zinc/51/91/93/175519193.db2.gz SJGDZAHHCYMHQE-HBNTYKKESA-N 1 0 244.404 1.571 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)Cc1cc(F)ccc1F ZINC000095971616 175709331 /nfs/dbraw/zinc/70/93/31/175709331.db2.gz XEBKBAGSNOBODZ-QMMMGPOBSA-N 1 0 242.269 1.313 50 0 BDAARO C[C@@H]([NH2+]Cc1cccn1C)C1CCOCC1 ZINC000089894401 175901505 /nfs/dbraw/zinc/90/15/05/175901505.db2.gz OQWDHMXMYZVQIS-LLVKDONJSA-N 1 0 222.332 1.930 50 0 BDAARO C[C@@H](Nc1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000050163982 175935934 /nfs/dbraw/zinc/93/59/34/175935934.db2.gz JWPLLEZZORFMOM-NXEZZACHSA-N 1 0 206.293 1.277 50 0 BDAARO C[C@@H](c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000022125797 176016172 /nfs/dbraw/zinc/01/61/72/176016172.db2.gz QHWJJNHMMZQNOF-VIFPVBQESA-N 1 0 226.270 1.931 50 0 BDAARO C[C@@H]1CCCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783797 176069117 /nfs/dbraw/zinc/06/91/17/176069117.db2.gz FCWXTIPYTRJIMH-SECBINFHSA-N 1 0 248.330 1.070 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000040461079 176069565 /nfs/dbraw/zinc/06/95/65/176069565.db2.gz CJGYWRYITGLFND-NEPJUHHUSA-N 1 0 240.347 1.156 50 0 BDAARO C[C@@H]1CCCC[C@@H]1[NH2+]CCCCS(C)(=O)=O ZINC000097096379 176080789 /nfs/dbraw/zinc/08/07/89/176080789.db2.gz XFWBBLBDEJZYHJ-NEPJUHHUSA-N 1 0 247.404 1.980 50 0 BDAARO C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H]([NH3+])C1 ZINC000132689914 176082285 /nfs/dbraw/zinc/08/22/85/176082285.db2.gz KYNCUGOBBODYQY-WOPDTQHZSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)[C@@H]1C[NH3+] ZINC000070177058 176093706 /nfs/dbraw/zinc/09/37/06/176093706.db2.gz WWVVNZGEDAPZTG-UTUOFQBUSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1C[NH3+] ZINC000070176198 176095637 /nfs/dbraw/zinc/09/56/37/176095637.db2.gz BUFLXZIOVJJROB-ZYHUDNBSSA-N 1 0 233.315 1.281 50 0 BDAARO C[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000032668127 176096362 /nfs/dbraw/zinc/09/63/62/176096362.db2.gz NDRRYJTXADVHGX-GFCCVEGCSA-N 1 0 224.348 1.731 50 0 BDAARO C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCCC1 ZINC000052858257 176114684 /nfs/dbraw/zinc/11/46/84/176114684.db2.gz PTSVDXUHLDGDTF-VXGBXAGGSA-N 1 0 224.348 1.872 50 0 BDAARO C[C@@H]1CCN(C(=O)C[NH3+])[C@H]1c1cccc(F)c1 ZINC000237429304 176155364 /nfs/dbraw/zinc/15/53/64/176155364.db2.gz RVHOEYMLUPTPRB-NOZJJQNGSA-N 1 0 236.290 1.694 50 0 BDAARO C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000032914997 176232124 /nfs/dbraw/zinc/23/21/24/176232124.db2.gz NNMBHCRWGGSRBE-BDAKNGLRSA-N 1 0 214.309 1.652 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C(C)(C)CCS(C)(=O)=O)C1 ZINC000095988369 176233028 /nfs/dbraw/zinc/23/30/28/176233028.db2.gz YZMUYQYDERYUQJ-MNOVXSKESA-N 1 0 247.404 1.978 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C/c2cccc(F)c2)CC[NH2+]1 ZINC000188380511 176240987 /nfs/dbraw/zinc/24/09/87/176240987.db2.gz FSOZLEKVLBNFQN-MVIFTORASA-N 1 0 248.301 1.659 50 0 BDAARO C[C@@H]1C[N@H+](CCCCCF)CC[C@H]1O ZINC000225809452 176288255 /nfs/dbraw/zinc/28/82/55/176288255.db2.gz LJYVTSWTJAEFRH-GHMZBOCLSA-N 1 0 203.301 1.829 50 0 BDAARO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000246352560 176316386 /nfs/dbraw/zinc/31/63/86/176316386.db2.gz FRYGAYBIZYRVJX-NQBHXWOUSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@@H]1C[NH+]=C(NCc2cccnc2)S1 ZINC000003103385 176324817 /nfs/dbraw/zinc/32/48/17/176324817.db2.gz RVEFYAJEIWNCLZ-MRVPVSSYSA-N 1 0 207.302 1.663 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[NH2+]1 ZINC000012418144 176451894 /nfs/dbraw/zinc/45/18/94/176451894.db2.gz XBSAFBRZYGZLRO-PWSUYJOCSA-N 1 0 230.311 1.716 50 0 BDAARO C[C@@H]1c2c(F)cccc2CCN1C(=O)CC[NH3+] ZINC000299753626 176505134 /nfs/dbraw/zinc/50/51/34/176505134.db2.gz YVQSFBASPKJLNT-SECBINFHSA-N 1 0 236.290 1.620 50 0 BDAARO C[C@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000097231137 176684029 /nfs/dbraw/zinc/68/40/29/176684029.db2.gz HKGDJZSORJNGMS-NXEZZACHSA-N 1 0 211.280 1.900 50 0 BDAARO C[C@H]([NH3+])C1CCN(C(=O)c2cccnc2)CC1 ZINC000110647465 176754962 /nfs/dbraw/zinc/75/49/62/176754962.db2.gz FWPJQZSWAIUPTH-JTQLQIEISA-N 1 0 233.315 1.281 50 0 BDAARO C[C@H](O)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000096485271 177008074 /nfs/dbraw/zinc/00/80/74/177008074.db2.gz JEVHLBXGBCKQKP-SDDRHHMPSA-N 1 0 213.321 1.116 50 0 BDAARO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000069814873 177015267 /nfs/dbraw/zinc/01/52/67/177015267.db2.gz PSGAHSBNYBHBII-WCQYABFASA-N 1 0 220.316 1.817 50 0 BDAARO C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000066347578 177067979 /nfs/dbraw/zinc/06/79/79/177067979.db2.gz YGDKCDSMRAWJHY-JTQLQIEISA-N 1 0 240.347 1.995 50 0 BDAARO C[C@H]1CCC[C@H](C)C1N(C)C(=O)CC[NH3+] ZINC000195542397 177129533 /nfs/dbraw/zinc/12/95/33/177129533.db2.gz DKWPBPXIQQVNGH-UWVGGRQHSA-N 1 0 212.337 1.618 50 0 BDAARO C[C@H]1CC[NH2+]C[C@H]1N(C)C(=O)OC(C)(C)C ZINC000095627687 177174666 /nfs/dbraw/zinc/17/46/66/177174666.db2.gz GEUGTHQTDCPAHY-VHSXEESVSA-N 1 0 228.336 1.851 50 0 BDAARO C[C@H]1CCc2c(cnc3scn[n+]32)C1 ZINC000000390338 177209610 /nfs/dbraw/zinc/20/96/10/177209610.db2.gz MPAJQZWJAZSYDO-ZETCQYMHSA-N 1 0 206.294 1.402 50 0 BDAARO C[C@H]1CN(C(=O)CC[NH3+])C[C@H](c2ccccc2)O1 ZINC000237584017 177214550 /nfs/dbraw/zinc/21/45/50/177214550.db2.gz CZICPUCKKAHRMD-WCQYABFASA-N 1 0 248.326 1.324 50 0 BDAARO C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1cccnc1 ZINC000237620628 177222276 /nfs/dbraw/zinc/22/22/76/177222276.db2.gz XVNZIVOEWAFDQZ-QWRGUYRKSA-N 1 0 233.315 1.005 50 0 BDAARO C[C@H]1C[NH+]=C(NCc2ccncc2)S1 ZINC000003228734 177282104 /nfs/dbraw/zinc/28/21/04/177282104.db2.gz CRDIPTGKMXNOKB-QMMMGPOBSA-N 1 0 207.302 1.663 50 0 BDAARO C[C@@H]1CC[C@H](CCC(=O)N2CC[NH2+]C[C@@H]2C)O1 ZINC000125984345 177283270 /nfs/dbraw/zinc/28/32/70/177283270.db2.gz CIHAPDDWBKDTFG-QJPTWQEYSA-N 1 0 240.347 1.154 50 0 BDAARO C[C@@H]1C[C@](O)(c2ccccc2)[C@@H](C)C[NH2+]1 ZINC000226731455 177286583 /nfs/dbraw/zinc/28/65/83/177286583.db2.gz QBPQEQQKSQOQBI-DMDPSCGWSA-N 1 0 205.301 1.892 50 0 BDAARO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCCCF ZINC000252508304 177299837 /nfs/dbraw/zinc/29/98/37/177299837.db2.gz XJOMIMJGSGCNHN-WDEREUQCSA-N 1 0 219.300 1.208 50 0 BDAARO C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000032751288 177314838 /nfs/dbraw/zinc/31/48/38/177314838.db2.gz QWNJCRWEAKARAU-AXFHLTTASA-N 1 0 224.348 1.631 50 0 BDAARO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]1 ZINC000073657431 177368237 /nfs/dbraw/zinc/36/82/37/177368237.db2.gz NURXHODEVCLVNT-DTWKUNHWSA-N 1 0 214.309 1.652 50 0 BDAARO C[C@H]1C[C@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000032787957 177376136 /nfs/dbraw/zinc/37/61/36/177376136.db2.gz YLBBUPRUEKPQMR-WCQYABFASA-N 1 0 236.359 1.729 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)CCC[NH3+] ZINC000004992777 177389375 /nfs/dbraw/zinc/38/93/75/177389375.db2.gz IUDKNELYOVLCFB-JTQLQIEISA-N 1 0 218.300 1.703 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)C1CC[NH2+]CC1 ZINC000019410325 177389551 /nfs/dbraw/zinc/38/95/51/177389551.db2.gz IZXNYTDXANPLQL-NSHDSACASA-N 1 0 244.338 1.964 50 0 BDAARO C[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000012357175 177396863 /nfs/dbraw/zinc/39/68/63/177396863.db2.gz RMTXPZPWCLGBFD-RKDXNWHRSA-N 1 0 214.309 1.604 50 0 BDAARO [NH3+]C[C@H]1CCN(c2nc3ccccc3o2)C1 ZINC000034924835 487673514 /nfs/dbraw/zinc/67/35/14/487673514.db2.gz PQZFDYSRUAOWBM-SECBINFHSA-N 1 0 217.272 1.613 50 0 BDAARO OCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC000252476827 527545877 /nfs/dbraw/zinc/54/58/77/527545877.db2.gz CFOJKXPNQYOBAE-CHWSQXEVSA-N 1 0 227.348 1.650 50 0 BDAARO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]Cc1cnnn1C ZINC000651910987 487858259 /nfs/dbraw/zinc/85/82/59/487858259.db2.gz VXVJPOCTJATMGP-UONOGXRCSA-N 1 0 242.326 1.769 50 0 BDAARO Cc1cc(C)c(CNC(=O)[C@@H]2C=CC[NH2+]2)c(C)c1 ZINC000534631126 323156852 /nfs/dbraw/zinc/15/68/52/323156852.db2.gz BNRAILBVWJBKDW-AWEZNQCLSA-N 1 0 244.338 1.756 50 0 BDAARO CS(=O)(=O)c1ccc(-c2cc(N)cc[nH+]2)cc1 ZINC000084573306 323172255 /nfs/dbraw/zinc/17/22/55/323172255.db2.gz UMORHFACAVNPKO-UHFFFAOYSA-N 1 0 248.307 1.734 50 0 BDAARO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000230660099 323388305 /nfs/dbraw/zinc/38/83/05/323388305.db2.gz ZHXJDTCCSIXSGH-SECBINFHSA-N 1 0 209.289 1.908 50 0 BDAARO CC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000083967845 487975617 /nfs/dbraw/zinc/97/56/17/487975617.db2.gz RJTVJHSBJQEKAC-UHFFFAOYSA-N 1 0 246.332 1.063 50 0 BDAARO Nc1cc(NC(=O)c2ccccn2)ccn1 ZINC000115710257 488036936 /nfs/dbraw/zinc/03/69/36/488036936.db2.gz PNYPOQZYIQJJRD-UHFFFAOYSA-N 1 0 214.228 1.311 50 0 BDAARO CS[C@@H](C)C(=O)NCC[N@H+](C(C)C)C1CC1 ZINC000084597262 488069352 /nfs/dbraw/zinc/06/93/52/488069352.db2.gz PZONMNMTNYWNPE-JTQLQIEISA-N 1 0 244.404 1.727 50 0 BDAARO CC[N@H+](C)CC(=O)N[C@@H](C)CCC(C)C ZINC000084760809 488092489 /nfs/dbraw/zinc/09/24/89/488092489.db2.gz BAKVALRHWRBISA-NSHDSACASA-N 1 0 214.353 1.879 50 0 BDAARO C[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000062188737 487496691 /nfs/dbraw/zinc/49/66/91/487496691.db2.gz BYIXBWZOSAKZHL-DGCLKSJQSA-N 1 0 232.327 1.486 50 0 BDAARO COCC[C@H]1CCCN(Cc2nonc2C)C1 ZINC000670460668 487513115 /nfs/dbraw/zinc/51/31/15/487513115.db2.gz UFDLWPIRKPOMCD-LLVKDONJSA-N 1 0 239.319 1.627 50 0 BDAARO COCC[C@H]1CN(Cc2ccoc2)CCO1 ZINC000670461894 487516510 /nfs/dbraw/zinc/51/65/10/487516510.db2.gz IMRWDWYBBPTTTC-LBPRGKRZSA-N 1 0 225.288 1.517 50 0 BDAARO Cc1ncc(C[N@@H+](C)CC2(CO)CCC2)[nH]1 ZINC000670469580 487524028 /nfs/dbraw/zinc/52/40/28/487524028.db2.gz LYQMYLFXLHLAOU-UHFFFAOYSA-N 1 0 223.320 1.313 50 0 BDAARO COCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000253370303 490254869 /nfs/dbraw/zinc/25/48/69/490254869.db2.gz PAQIWKVEZIUIDW-AXFHLTTASA-N 1 0 228.336 1.045 50 0 BDAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccn2)CC1 ZINC000072132125 491122346 /nfs/dbraw/zinc/12/23/46/491122346.db2.gz YNASHPQBHPYWRJ-GFCCVEGCSA-N 1 0 247.342 1.638 50 0 BDAARO CC(C)(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CCOC1 ZINC000165782735 518985111 /nfs/dbraw/zinc/98/51/11/518985111.db2.gz PFNLVFNUEJXUCJ-UTUOFQBUSA-N 1 0 227.348 1.816 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC000247832799 522782079 /nfs/dbraw/zinc/78/20/79/522782079.db2.gz IADSUFVQROEZEH-HBNTYKKESA-N 1 0 233.377 1.210 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1SC ZINC000247818317 522783563 /nfs/dbraw/zinc/78/35/63/522783563.db2.gz CDPMAKQXGFJHBI-VWYCJHECSA-N 1 0 233.377 1.210 50 0 BDAARO Cc1cc(C)c(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)o1 ZINC000153429159 524227385 /nfs/dbraw/zinc/22/73/85/524227385.db2.gz ZPFVCSQCILPOCC-AOOOYVTPSA-N 1 0 236.315 1.719 50 0 BDAARO Cc1cccc(CCC(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088059192 524346550 /nfs/dbraw/zinc/34/65/50/524346550.db2.gz CQHFXXDPYNFJMR-ZDUSSCGKSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1cc(CNC(=O)[C@@H](C)[NH+]2CCCC2)ccn1 ZINC000244626642 524739559 /nfs/dbraw/zinc/73/95/59/524739559.db2.gz FPRKQTLXCAQSRZ-GFCCVEGCSA-N 1 0 247.342 1.491 50 0 BDAARO COc1ccccc1[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000158118487 524752136 /nfs/dbraw/zinc/75/21/36/524752136.db2.gz RNOLUTJVBVWOSC-JQWIXIFHSA-N 1 0 248.326 1.706 50 0 BDAARO C[C@H]([NH2+]Cc1cnn(C)c1)[C@H](C)n1cccn1 ZINC000069490219 525481311 /nfs/dbraw/zinc/48/13/11/525481311.db2.gz CWUVKBBDGDVUEX-QWRGUYRKSA-N 1 0 233.319 1.356 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089717637 525530478 /nfs/dbraw/zinc/53/04/78/525530478.db2.gz YFVZXACWWSBRNT-NEPJUHHUSA-N 1 0 244.338 1.964 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)c(C)n1 ZINC000088059194 526116790 /nfs/dbraw/zinc/11/67/90/526116790.db2.gz HSICXWLPLUSUOQ-JTQLQIEISA-N 1 0 233.315 1.132 50 0 BDAARO c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000228182466 526541296 /nfs/dbraw/zinc/54/12/96/526541296.db2.gz ANAZDIGVXWZBJE-QWRGUYRKSA-N 1 0 218.304 1.515 50 0 BDAARO CN1CCCc2c(N)c3c([nH+]c21)CCC3 ZINC000000980164 536395270 /nfs/dbraw/zinc/39/52/70/536395270.db2.gz UJHBOKFYFGNEEV-UHFFFAOYSA-N 1 0 203.289 1.535 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@@H]([NH3+])C[C@@H]1C ZINC000757208754 582560219 /nfs/dbraw/zinc/56/02/19/582560219.db2.gz DAXRXQLVNFBKKN-PKFCDNJMSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NCC[C@H](C)[C@H]1[NH3+] ZINC000757216225 582561904 /nfs/dbraw/zinc/56/19/04/582561904.db2.gz ZDBPZWQXJQAQFU-PCTYZZJISA-N 1 0 244.342 1.869 50 0 BDAARO COC(=O)c1ccc2c(c1)C[C@H]([C@@H](C)[NH3+])CO2 ZINC000675063380 584892837 /nfs/dbraw/zinc/89/28/37/584892837.db2.gz DWECNXLLMVUDKR-KCJUWKMLSA-N 1 0 235.283 1.372 50 0 BDAARO COC(=O)C1([NH3+])CC(COCc2ccccc2)C1 ZINC000257889003 634521429 /nfs/dbraw/zinc/52/14/29/634521429.db2.gz GJSXHWPHSGSBOY-UHFFFAOYSA-N 1 0 249.310 1.484 50 0 BDAARO O=c1c2c(F)cccc2ncn1[C@H]1CCC[NH2+]C1 ZINC000258180557 634588668 /nfs/dbraw/zinc/58/86/68/634588668.db2.gz LYMVVYACDRXAQL-VIFPVBQESA-N 1 0 247.273 1.460 50 0 BDAARO CCC(CC)[C@@H]([NH3+])[C@@]1(O)CCSC1 ZINC000958527846 635550966 /nfs/dbraw/zinc/55/09/66/635550966.db2.gz GQEIZMJGIAGARZ-NXEZZACHSA-N 1 0 203.351 1.618 50 0 BDAARO CC(C)C[C@@H]([NH3+])[C@]1(O)CCCSC1 ZINC000958528746 635551344 /nfs/dbraw/zinc/55/13/44/635551344.db2.gz UBHCQMKYYVTJBB-ZJUUUORDSA-N 1 0 203.351 1.618 50 0 BDAARO CC(C)c1cccc([C@H]([NH3+])C2(O)CNC2)c1 ZINC000958528427 635552064 /nfs/dbraw/zinc/55/20/64/635552064.db2.gz ROUNYVZGSWNHHB-LBPRGKRZSA-N 1 0 220.316 1.144 50 0 BDAARO CCC(O)(CC)[C@@H]([NH3+])c1nccs1 ZINC000958528345 635552347 /nfs/dbraw/zinc/55/23/47/635552347.db2.gz NITFPGLWKUHYLH-ZETCQYMHSA-N 1 0 200.307 1.694 50 0 BDAARO CCC(CC)[C@H]([NH3+])[C@@]1(O)CCSC1 ZINC000958527849 635552481 /nfs/dbraw/zinc/55/24/81/635552481.db2.gz GQEIZMJGIAGARZ-VHSXEESVSA-N 1 0 203.351 1.618 50 0 BDAARO C[NH+](C)[C@@H]1CCN(c2ccnc3cnccc32)C1 ZINC000338665157 635795259 /nfs/dbraw/zinc/79/52/59/635795259.db2.gz RRQLJAJIABDBNU-LLVKDONJSA-N 1 0 242.326 1.770 50 0 BDAARO C[C@@H]1C[N@H+]([C@H]2CCSC2)C[C@H](C)O1 ZINC000023282344 632780273 /nfs/dbraw/zinc/78/02/73/632780273.db2.gz ADWMLWAWRGMTQI-AEJSXWLSSA-N 1 0 201.335 1.601 50 0 BDAARO CC(C)[NH2+]C[C@H](O)[C@H]1COc2ccccc2O1 ZINC000003683937 633075916 /nfs/dbraw/zinc/07/59/16/633075916.db2.gz OOTZYHQSEVRTER-GXFFZTMASA-N 1 0 237.299 1.185 50 0 BDAARO C[C@H]1[NH2+]CCN(C(=O)c2cccc(CO)c2)[C@@H]1C ZINC000888096553 635370777 /nfs/dbraw/zinc/37/07/77/635370777.db2.gz IWZBDHDDOQCYBB-GHMZBOCLSA-N 1 0 248.326 1.001 50 0 BDAARO CC(C)(C)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000070266512 642427703 /nfs/dbraw/zinc/42/77/03/642427703.db2.gz BATBBWMKUVUXPK-LLVKDONJSA-N 1 0 224.348 1.729 50 0 BDAARO CCCN1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC000000757683 642803956 /nfs/dbraw/zinc/80/39/56/642803956.db2.gz ACCUNGAPAYSHEG-AWEZNQCLSA-N 1 0 240.391 1.708 50 0 BDAARO CC[NH2+]CC[C@H]1CCC(=O)N1CCCSC ZINC000014984821 642886676 /nfs/dbraw/zinc/88/66/76/642886676.db2.gz LRKJIRMRAFDCPB-LLVKDONJSA-N 1 0 244.404 1.730 50 0 BDAARO C[C@@H](O)C[N@@H+](Cc1ccccc1F)C[C@H](C)O ZINC000000757494 643647232 /nfs/dbraw/zinc/64/72/32/643647232.db2.gz SHOXEYQQBNOZKC-PHIMTYICSA-N 1 0 241.306 1.389 50 0 BDAARO CCC[C@H]1CN(Cc2nccs2)C[C@@H]1[NH3+] ZINC000091756099 644636504 /nfs/dbraw/zinc/63/65/04/644636504.db2.gz AOWQKELHDTVRQO-UWVGGRQHSA-N 1 0 225.361 1.702 50 0 BDAARO C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000095971467 644784637 /nfs/dbraw/zinc/78/46/37/644784637.db2.gz LOGZRUJGUSCLPH-CHOZFAJLSA-N 1 0 248.301 1.789 50 0 BDAARO C[C@@H]1SCC[C@@]1(O)[C@H]([NH3+])C1CCC1 ZINC000958528697 644805096 /nfs/dbraw/zinc/80/50/96/644805096.db2.gz ZLFNUPPZTMPLLF-SFGNSQDASA-N 1 0 201.335 1.370 50 0 BDAARO CC(C)(C)[C@H]([NH3+])C1(O)CC(CF)(CF)C1 ZINC000958527521 644805743 /nfs/dbraw/zinc/80/57/43/644805743.db2.gz BMOKYOKOCUYYJN-QMMMGPOBSA-N 1 0 221.291 1.810 50 0 BDAARO [NH3+][C@@H](c1nccs1)C1(O)CC(CF)(CF)C1 ZINC000958527563 644805903 /nfs/dbraw/zinc/80/59/03/644805903.db2.gz CYIHVXTYTQNKJP-ZETCQYMHSA-N 1 0 248.298 1.593 50 0 BDAARO CCC[N@@H+]1CC[C@@H](Nc2ncnc3nc[nH]c32)C1 ZINC000389190996 711071984 /nfs/dbraw/zinc/07/19/84/711071984.db2.gz VBVIRAMVZLMMKL-SECBINFHSA-N 1 0 246.318 1.249 50 0 BDAARO COC(=O)[C@H]1C[C@H]([NH3+])CCC12CCCC2 ZINC000725360341 711664102 /nfs/dbraw/zinc/66/41/02/711664102.db2.gz SKBNSAKGJBVALW-NXEZZACHSA-N 1 0 211.305 1.847 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1COc1ncc(Cl)cn1 ZINC000585650780 959540499 /nfs/dbraw/zinc/54/04/99/959540499.db2.gz FCXNAEWPCXNKLY-SNVBAGLBSA-N 1 0 241.722 1.993 50 0 BDAARO c1n[nH]cc1CCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000584908366 972032393 /nfs/dbraw/zinc/03/23/93/972032393.db2.gz YQEMSNGHXCZRCK-UHFFFAOYSA-N 1 0 231.303 1.124 50 0 BDAARO CCSCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000585116939 972147499 /nfs/dbraw/zinc/14/74/99/972147499.db2.gz MTZWSNJXBDXZGM-LPEHRKFASA-N 1 0 230.377 1.337 50 0 BDAARO CN(C)c1ccc(-c2ncccc2C[NH3+])cn1 ZINC000426633713 962172910 /nfs/dbraw/zinc/17/29/10/962172910.db2.gz ARAMOWGQMWOYQH-UHFFFAOYSA-N 1 0 228.299 1.668 50 0 BDAARO Cc1cc(C)n(C[C@H](C)[NH2+]CCc2c[nH]cn2)n1 ZINC001506428488 964497592 /nfs/dbraw/zinc/49/75/92/964497592.db2.gz XKUXGORTYNMUPC-NSHDSACASA-N 1 0 247.346 1.444 50 0 BDAARO CC[N@H+](C)C1(CNS(=O)(=O)CC)CCCC1 ZINC000823067883 968541143 /nfs/dbraw/zinc/54/11/43/968541143.db2.gz WAGJPHQSYDENJG-UHFFFAOYSA-N 1 0 248.392 1.190 50 0 BDAARO COCC[C@H](C)[NH2+]CCc1nc(C2CC2)no1 ZINC000824377521 968596318 /nfs/dbraw/zinc/59/63/18/968596318.db2.gz HLRWOBUHVXOYPR-VIFPVBQESA-N 1 0 239.319 1.504 50 0 BDAARO COc1nc(N[C@H]2CCC[N@H+](C)C2)ncc1F ZINC000824845402 968626362 /nfs/dbraw/zinc/62/63/62/968626362.db2.gz DLMPHCJHDXKZDG-QMMMGPOBSA-N 1 0 240.282 1.130 50 0 BDAARO c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000383558633 969181965 /nfs/dbraw/zinc/18/19/65/969181965.db2.gz RYSWTDCBXVJIPD-LBPRGKRZSA-N 1 0 217.316 1.756 50 0 BDAARO c1c[nH]c(CCCN2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000952883040 974063176 /nfs/dbraw/zinc/06/31/76/974063176.db2.gz MEYKHTSGEUZZDU-ZDUSSCGKSA-N 1 0 248.374 1.512 50 0 BDAARO CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccnc1 ZINC001506397571 988775378 /nfs/dbraw/zinc/77/53/78/988775378.db2.gz VEKLSQADEARFJT-OLZOCXBDSA-N 1 0 234.347 1.052 50 0 BDAARO CC[N@H+](CCCn1ccnc1)CCn1cccn1 ZINC001506419479 988779299 /nfs/dbraw/zinc/77/92/99/988779299.db2.gz CRXKDABVHUHRRN-UHFFFAOYSA-N 1 0 247.346 1.492 50 0 BDAARO Nc1nc(CCC[NH2+]C[C@H]2CCOC2)cs1 ZINC001506430193 988785137 /nfs/dbraw/zinc/78/51/37/988785137.db2.gz YLBQURUJDPSLKM-SECBINFHSA-N 1 0 241.360 1.284 50 0 BDAARO CC[N@H+](CCCC(=O)[O-])C[C@@H]1CC[NH+](CC)C1 ZINC001529091063 990330999 /nfs/dbraw/zinc/33/09/99/990330999.db2.gz NKECBMQLWXBBHS-LBPRGKRZSA-N 1 0 242.363 1.515 50 0 BDAARO Cn1nccc1CN1CCCC[C@H]([NH+](C)C)C1 ZINC001529145587 990332941 /nfs/dbraw/zinc/33/29/41/990332941.db2.gz CYYBCTDODCZBMM-LBPRGKRZSA-N 1 0 236.363 1.336 50 0 BDAARO COCCC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC001529186519 990335859 /nfs/dbraw/zinc/33/58/59/990335859.db2.gz GVENQNCLMFSZQT-LBPRGKRZSA-N 1 0 242.363 1.356 50 0 BDAARO C[C@@H](CC(=O)N1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000299738682 136209409 /nfs/dbraw/zinc/20/94/09/136209409.db2.gz FFQIDPSXCZDTTK-AAEUAGOBSA-N 1 0 247.342 1.525 50 0 BDAARO Cc1cc(CNC(=O)[C@H]2CCC[NH2+]2)c(C)s1 ZINC000096425328 178015018 /nfs/dbraw/zinc/01/50/18/178015018.db2.gz SMKPBBJJDGDJAM-LLVKDONJSA-N 1 0 238.356 1.733 50 0 BDAARO Cc1cc(C(=O)NCCC[NH+](C)C)c(C)o1 ZINC000072619535 398182206 /nfs/dbraw/zinc/18/22/06/398182206.db2.gz GXFVMSOKGVWRPH-UHFFFAOYSA-N 1 0 224.304 1.578 50 0 BDAARO Cc1cc(NC(=O)N(C)CC[NH+](C)C)ccn1 ZINC000095981930 178136178 /nfs/dbraw/zinc/13/61/78/178136178.db2.gz BWNVUINVHILLIZ-UHFFFAOYSA-N 1 0 236.319 1.415 50 0 BDAARO CC(C)[N@H+](CCOC(=O)N(C)C)C1CCC1 ZINC000159204307 349537916 /nfs/dbraw/zinc/53/79/16/349537916.db2.gz GUJCJNTUFFPQCM-UHFFFAOYSA-N 1 0 228.336 1.948 50 0 BDAARO C[C@@H](CCn1ccnc1-c1nccn1C)[NH+](C)C ZINC000077287692 398255628 /nfs/dbraw/zinc/25/56/28/398255628.db2.gz WOCYNVUXJQUSOM-NSHDSACASA-N 1 0 247.346 1.624 50 0 BDAARO Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000020182485 178384107 /nfs/dbraw/zinc/38/41/07/178384107.db2.gz HYLGZMWKKXDOHL-UHFFFAOYSA-N 1 0 232.327 1.806 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cn1 ZINC000111364236 178385978 /nfs/dbraw/zinc/38/59/78/178385978.db2.gz QUCQZCCVPWFYKL-CYBMUJFWSA-N 1 0 247.342 1.734 50 0 BDAARO Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1 ZINC000097465006 178388184 /nfs/dbraw/zinc/38/81/84/178388184.db2.gz AQKWSIVISQBCRP-UHFFFAOYSA-N 1 0 247.342 1.476 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1Cl ZINC000063022352 178395703 /nfs/dbraw/zinc/39/57/03/178395703.db2.gz XZZJEPSDSQQEAQ-SNVBAGLBSA-N 1 0 238.718 1.822 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000094925430 178389323 /nfs/dbraw/zinc/38/93/23/178389323.db2.gz SKKPYCZPKPUDBE-SNVBAGLBSA-N 1 0 236.290 1.697 50 0 BDAARO C[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000000277466 342682014 /nfs/dbraw/zinc/68/20/14/342682014.db2.gz AIORSIFJHYMLFY-LBPRGKRZSA-N 1 0 246.354 1.987 50 0 BDAARO C[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000000277468 342682116 /nfs/dbraw/zinc/68/21/16/342682116.db2.gz AIORSIFJHYMLFY-GFCCVEGCSA-N 1 0 246.354 1.987 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000000294258 342682431 /nfs/dbraw/zinc/68/24/31/342682431.db2.gz HTVSIOIPGZGDQI-JTQLQIEISA-N 1 0 209.289 1.820 50 0 BDAARO CCOc1ccccc1OC[C@@H](O)C[NH2+]C ZINC000000322089 342683339 /nfs/dbraw/zinc/68/33/39/342683339.db2.gz HVHAKWVTUGYANI-JTQLQIEISA-N 1 0 225.288 1.044 50 0 BDAARO Cn1cc[n+](C)c1SC[C@@H](O)c1ccccc1 ZINC000000331443 342683606 /nfs/dbraw/zinc/68/36/06/342683606.db2.gz FNCILXYOAYNHKV-GFCCVEGCSA-N 1 0 249.359 1.675 50 0 BDAARO Cn1cccc1C[NH2+]Cc1cccnc1 ZINC000000360294 342684978 /nfs/dbraw/zinc/68/49/78/342684978.db2.gz ZDPBQFWFJFPRAL-UHFFFAOYSA-N 1 0 201.273 1.710 50 0 BDAARO CN1CCC([N@H+](C)[C@@H]2CCSC2)CC1 ZINC000000757542 342692306 /nfs/dbraw/zinc/69/23/06/342692306.db2.gz VGCCPBYPVNTBIK-LLVKDONJSA-N 1 0 214.378 1.518 50 0 BDAARO [NH3+][C@H](CO)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001601470 342705336 /nfs/dbraw/zinc/70/53/36/342705336.db2.gz KCNCKSOQGJUYPZ-HUUCEWRRSA-N 1 0 243.306 1.707 50 0 BDAARO COC(=O)CNC1=[NH+]C(C)(C)Cc2ccccc21 ZINC000004185929 342743829 /nfs/dbraw/zinc/74/38/29/342743829.db2.gz LDFBDHKDBAHUPC-UHFFFAOYSA-N 1 0 246.310 1.531 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@H](C)[C@@H](O)C1 ZINC000253394510 398279270 /nfs/dbraw/zinc/27/92/70/398279270.db2.gz ZTNWUIJERJCSRM-STQMWFEESA-N 1 0 228.380 1.421 50 0 BDAARO CCOc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000004278513 342746021 /nfs/dbraw/zinc/74/60/21/342746021.db2.gz HESNNBCFODDNMA-UHFFFAOYSA-N 1 0 236.315 1.377 50 0 BDAARO Cc1cc(C)n(-c2ccccc2C[NH3+])n1 ZINC000002538838 342723438 /nfs/dbraw/zinc/72/34/38/342723438.db2.gz VYQNOSSOUOYTFX-UHFFFAOYSA-N 1 0 201.273 1.948 50 0 BDAARO COC(=O)CC[NH2+][C@@H](C)c1ccccc1 ZINC000002566585 342724454 /nfs/dbraw/zinc/72/44/54/342724454.db2.gz ZCYLXTDMFSPRNF-JTQLQIEISA-N 1 0 207.273 1.900 50 0 BDAARO O=S1(=O)CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000003865845 342738451 /nfs/dbraw/zinc/73/84/51/342738451.db2.gz OHSNGEHDOIRAAE-JTQLQIEISA-N 1 0 217.334 1.096 50 0 BDAARO CN(C)Nc1ccc(C(F)(F)F)c[nH+]1 ZINC000004839420 342752866 /nfs/dbraw/zinc/75/28/66/342752866.db2.gz YBPNKJXHHVVIDL-UHFFFAOYSA-N 1 0 205.183 1.989 50 0 BDAARO [NH3+][C@H](CC(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000042434908 342775622 /nfs/dbraw/zinc/77/56/22/342775622.db2.gz PSAMTEUAVZRDSB-CHWSQXEVSA-N 1 0 248.326 1.060 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000008699268 342802361 /nfs/dbraw/zinc/80/23/61/342802361.db2.gz SLESECKAUTVEET-NXEZZACHSA-N 1 0 239.702 1.816 50 0 BDAARO COC(=O)C1(C[NH2+][C@@H]2CCOC2)CCCCC1 ZINC000097373162 342790686 /nfs/dbraw/zinc/79/06/86/342790686.db2.gz CNPFYCPWEZANNQ-LLVKDONJSA-N 1 0 241.331 1.488 50 0 BDAARO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)o1 ZINC000097374054 342790917 /nfs/dbraw/zinc/79/09/17/342790917.db2.gz LUSCYPVJGKJKGA-NSHDSACASA-N 1 0 236.315 1.861 50 0 BDAARO O=C(c1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000009458210 342816593 /nfs/dbraw/zinc/81/65/93/342816593.db2.gz MUGXJJXOGHHFOO-UHFFFAOYSA-N 1 0 205.257 1.575 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCO1 ZINC000042269921 361976757 /nfs/dbraw/zinc/97/67/57/361976757.db2.gz JJHMKWFIFVTDRT-NEPJUHHUSA-N 1 0 223.320 1.430 50 0 BDAARO [NH3+][C@H](CCN1CCOCC1)c1ccccc1 ZINC000012397755 342851267 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HAOOJQHDJVIABJ-UHFFFAOYSA-N 1 0 241.298 1.905 50 0 BDAARO CCOc1ccc(C[C@@H](C[NH3+])C(=O)OC)cc1 ZINC000020579370 342991714 /nfs/dbraw/zinc/99/17/14/342991714.db2.gz ICUPLUGLVHTNHB-NSHDSACASA-N 1 0 237.299 1.376 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1cccc(C)c1 ZINC000020579328 342991789 /nfs/dbraw/zinc/99/17/89/342991789.db2.gz CNQSDZIRRVQLFL-LLVKDONJSA-N 1 0 207.273 1.285 50 0 BDAARO CC1(C)C[C@H]([NH2+]CC2OCCO2)C(C)(C)O1 ZINC000097103348 344021407 /nfs/dbraw/zinc/02/14/07/344021407.db2.gz MSTCMGOPTLDIDS-VIFPVBQESA-N 1 0 229.320 1.295 50 0 BDAARO [NH3+]Cc1ccccc1CN1CCCC1=O ZINC000020281960 342980320 /nfs/dbraw/zinc/98/03/20/342980320.db2.gz HYRYBZYQMWTMRE-UHFFFAOYSA-N 1 0 204.273 1.268 50 0 BDAARO C[C@H]1CCC[C@@H](OCC(=O)N2CC[NH2+]CC2)C1 ZINC000020516155 342988970 /nfs/dbraw/zinc/98/89/70/342988970.db2.gz UVCJRMFLEDPTDY-NWDGAFQWSA-N 1 0 240.347 1.014 50 0 BDAARO O=C1CCC(=O)N1C[NH2+]C1CCCCC1 ZINC000012343523 343047754 /nfs/dbraw/zinc/04/77/54/343047754.db2.gz DNCAQNYZHMSGSC-UHFFFAOYSA-N 1 0 210.277 1.015 50 0 BDAARO [NH3+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000022566534 343051819 /nfs/dbraw/zinc/05/18/19/343051819.db2.gz XFEGNZMHRVQREQ-LBPRGKRZSA-N 1 0 214.268 1.548 50 0 BDAARO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1ccccc1 ZINC000012416615 343052901 /nfs/dbraw/zinc/05/29/01/343052901.db2.gz CLPRMDNZBYQVNF-GFCCVEGCSA-N 1 0 244.294 1.414 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC000022989542 343057380 /nfs/dbraw/zinc/05/73/80/343057380.db2.gz KUTTTWSBRYWUGD-UHFFFAOYSA-N 1 0 248.330 1.079 50 0 BDAARO CCN1CCN(C(=O)Cc2ccccc2)CC1 ZINC000023379273 343063662 /nfs/dbraw/zinc/06/36/62/343063662.db2.gz ZKLSFAKJJJDQSA-UHFFFAOYSA-N 1 0 232.327 1.393 50 0 in-vivo BDAARO CC(C)(C)OC(=O)NC1(C(N)=[NH2+])CCC1 ZINC000238121197 343077044 /nfs/dbraw/zinc/07/70/44/343077044.db2.gz HYTUHZVOPTUWLA-UHFFFAOYSA-N 1 0 213.281 1.370 50 0 BDAARO OC1(C[NH+]2CC(n3cccn3)C2)CCCCC1 ZINC000072254019 343098064 /nfs/dbraw/zinc/09/80/64/343098064.db2.gz BLSKPHVAQMCDDC-UHFFFAOYSA-N 1 0 235.331 1.435 50 0 BDAARO OC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000023282785 343141040 /nfs/dbraw/zinc/14/10/40/343141040.db2.gz LDKZBNVNFNFMKR-UHFFFAOYSA-N 1 0 217.312 1.611 50 0 BDAARO Cc1csc(C[NH2+][C@H]2CN3CCC2CC3)n1 ZINC000038090901 343143437 /nfs/dbraw/zinc/14/34/37/343143437.db2.gz ZKSZARCHPLNTJO-NSHDSACASA-N 1 0 237.372 1.635 50 0 BDAARO CC(C)(C)OC(=O)NCCC1C[NH2+]C1 ZINC000030677727 343193373 /nfs/dbraw/zinc/19/33/73/343193373.db2.gz CSPJUZSNJFANNU-UHFFFAOYSA-N 1 0 200.282 1.121 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1C ZINC000048324680 343242833 /nfs/dbraw/zinc/24/28/33/343242833.db2.gz WCLMIKAGTUGYGG-NSHDSACASA-N 1 0 236.315 1.802 50 0 BDAARO [NH3+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000033426926 343253784 /nfs/dbraw/zinc/25/37/84/343253784.db2.gz ZSMIAVSFNGTAEH-SECBINFHSA-N 1 0 241.132 1.987 50 0 BDAARO C[N@H+](CCO)C12CC3CC(CC(C3)C1)C2 ZINC000004989900 343273351 /nfs/dbraw/zinc/27/33/51/343273351.db2.gz PBIKYLZCOFBUBV-UHFFFAOYSA-N 1 0 209.333 1.879 50 0 BDAARO Cc1cc(C[NH3+])c(C)n1-c1cccnc1 ZINC000034936150 343280939 /nfs/dbraw/zinc/28/09/39/343280939.db2.gz YGDPDRLUVBOFAB-UHFFFAOYSA-N 1 0 201.273 1.948 50 0 BDAARO CSc1ccc([C@@H](C[NH3+])N(C)C)cc1 ZINC000034938067 343281541 /nfs/dbraw/zinc/28/15/41/343281541.db2.gz DCASTUBNJWSRPB-LLVKDONJSA-N 1 0 210.346 1.970 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH3+] ZINC000035569319 343297707 /nfs/dbraw/zinc/29/77/07/343297707.db2.gz PAXDIBGWURAVIH-HTQZYQBOSA-N 1 0 200.282 1.391 50 0 BDAARO COC(=O)C[C@@H](C)[NH2+]Cc1ccccc1 ZINC000035747603 343303566 /nfs/dbraw/zinc/30/35/66/343303566.db2.gz BNNDKMWWUARZGQ-SNVBAGLBSA-N 1 0 207.273 1.728 50 0 BDAARO Cc1ccc(C2[N+](=O)[C@H](C)N(O)C2(C)C)o1 ZINC000000449065 178512946 /nfs/dbraw/zinc/51/29/46/178512946.db2.gz GKHDHVHQXIRLLS-QMMMGPOBSA-N 1 0 224.260 1.717 50 0 BDAARO C[N@H+](CCO)Cc1cc(N)ccc1Cl ZINC000037899149 343360003 /nfs/dbraw/zinc/36/00/03/343360003.db2.gz IYAVXYPOCJIRMT-UHFFFAOYSA-N 1 0 214.696 1.346 50 0 BDAARO CC(C)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000041599331 343422183 /nfs/dbraw/zinc/42/21/83/343422183.db2.gz QLBLCJXGYKWQSR-UHFFFAOYSA-N 1 0 225.292 1.157 50 0 BDAARO O=c1oc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC000041630755 343422275 /nfs/dbraw/zinc/42/22/75/343422275.db2.gz PIUUOOHIUQNDFO-MRVPVSSYSA-N 1 0 204.229 1.129 50 0 BDAARO COC(=O)C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000039209879 343387226 /nfs/dbraw/zinc/38/72/26/343387226.db2.gz DGWUAQUQAKCWPR-UHFFFAOYSA-N 1 0 249.310 1.187 50 0 BDAARO CC(C)CNC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000048614634 343394332 /nfs/dbraw/zinc/39/43/32/343394332.db2.gz WABPMHBQAVBVRQ-TXEJJXNPSA-N 1 0 226.364 1.737 50 0 BDAARO Clc1cc(O[C@H]2CCC[NH2+]C2)ncn1 ZINC000040434313 343403017 /nfs/dbraw/zinc/40/30/17/343403017.db2.gz ZYWITCSINHCQFB-ZETCQYMHSA-N 1 0 213.668 1.261 50 0 BDAARO Clc1cc(O[C@@H]2CCC[NH2+]C2)ncn1 ZINC000040434312 343403033 /nfs/dbraw/zinc/40/30/33/343403033.db2.gz ZYWITCSINHCQFB-SSDOTTSWSA-N 1 0 213.668 1.261 50 0 BDAARO O=C(OCC1CC[NH2+]CC1)c1cccnc1 ZINC000042769486 343451133 /nfs/dbraw/zinc/45/11/33/343451133.db2.gz LXTFQRUYVJHYDG-UHFFFAOYSA-N 1 0 220.272 1.238 50 0 BDAARO Clc1cc(OCC[C@H]2CCC[NH2+]C2)ncn1 ZINC000042774095 343452601 /nfs/dbraw/zinc/45/26/01/343452601.db2.gz XUOWYHHGTYNKTB-SECBINFHSA-N 1 0 241.722 1.899 50 0 BDAARO Cc1nn(C)c(C)c1[C@H](C)[NH2+]C1CCOCC1 ZINC000045169959 343525061 /nfs/dbraw/zinc/52/50/61/343525061.db2.gz QUHMSWNASMRSTH-VIFPVBQESA-N 1 0 237.347 1.867 50 0 BDAARO CC(=O)NCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000072312290 343531694 /nfs/dbraw/zinc/53/16/94/343531694.db2.gz CAWHKBZCYZXGJA-UHFFFAOYSA-N 1 0 246.314 1.179 50 0 BDAARO Cn1cccc1C[NH2+]CCc1ccnn1C ZINC000135032707 343499751 /nfs/dbraw/zinc/49/97/51/343499751.db2.gz UBVYJCKEISJDTO-UHFFFAOYSA-N 1 0 218.304 1.091 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000047843714 343566335 /nfs/dbraw/zinc/56/63/35/343566335.db2.gz SQEURGTUFUERHD-VHSXEESVSA-N 1 0 228.336 1.981 50 0 BDAARO Cc1ccc(Cc2noc(C3C[NH2+]C3)n2)cc1 ZINC000048981081 343591591 /nfs/dbraw/zinc/59/15/91/343591591.db2.gz DFGNGGGAXRUMCG-UHFFFAOYSA-N 1 0 229.283 1.656 50 0 BDAARO O=C(NCc1cc(Cl)ccn1)[C@@H]1CCC[NH2+]1 ZINC000097234174 344102364 /nfs/dbraw/zinc/10/23/64/344102364.db2.gz YMFUPERQFJXVTE-JTQLQIEISA-N 1 0 239.706 1.103 50 0 BDAARO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CCOC2)n1 ZINC000093839759 344140253 /nfs/dbraw/zinc/14/02/53/344140253.db2.gz PYQPXEPSGMGLFM-NSHDSACASA-N 1 0 236.315 1.564 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C\c1ccc(C)o1 ZINC000493819641 529988516 /nfs/dbraw/zinc/98/85/16/529988516.db2.gz USFWSXOAXGYDDQ-KRZKBDHCSA-N 1 0 248.326 1.812 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000062666768 178682087 /nfs/dbraw/zinc/68/20/87/178682087.db2.gz UODPOFJLHMIDFO-LLVKDONJSA-N 1 0 236.290 1.697 50 0 BDAARO CC[NH+]1CCC(NCc2c(C)n[nH]c2C)CC1 ZINC000038098099 344781340 /nfs/dbraw/zinc/78/13/40/344781340.db2.gz ZWNWGSCKPICMDU-UHFFFAOYSA-N 1 0 236.363 1.600 50 0 BDAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1CCC1 ZINC000095450523 345686015 /nfs/dbraw/zinc/68/60/15/345686015.db2.gz DKXJKSBFYKMCMG-LLVKDONJSA-N 1 0 238.375 1.975 50 0 BDAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cncc(F)c1 ZINC000183572255 345938518 /nfs/dbraw/zinc/93/85/18/345938518.db2.gz MZBTUQCXBCZXRY-OUJBWJOFSA-N 1 0 236.290 1.808 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)C1CC1 ZINC000191469319 346030979 /nfs/dbraw/zinc/03/09/79/346030979.db2.gz CTRJEBZQDRGLFZ-GXSJLCMTSA-N 1 0 211.305 1.812 50 0 BDAARO Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000004700054 179015789 /nfs/dbraw/zinc/01/57/89/179015789.db2.gz TWCPZXMIPJDXCF-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO Cc1cccc(C(C)(C)NC(=O)C[NH+](C)C)c1 ZINC000097101909 179027449 /nfs/dbraw/zinc/02/74/49/179027449.db2.gz TWDGEOGTUDKTKO-UHFFFAOYSA-N 1 0 234.343 1.908 50 0 BDAARO Cc1ncc(CO)c(C[NH2+]Cc2ccco2)c1O ZINC000167260763 346702861 /nfs/dbraw/zinc/70/28/61/346702861.db2.gz JJBSWPZNKREPFR-UHFFFAOYSA-N 1 0 248.282 1.471 50 0 BDAARO Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000011754414 179139281 /nfs/dbraw/zinc/13/92/81/179139281.db2.gz PTKSINOHCHYASA-NSHDSACASA-N 1 0 204.273 1.686 50 0 BDAARO Cc1cccc(OCC(=O)N2CC[NH2+]CC2)c1C ZINC000019471245 179163407 /nfs/dbraw/zinc/16/34/07/179163407.db2.gz CSOWRJKDITYGJM-UHFFFAOYSA-N 1 0 248.326 1.114 50 0 BDAARO Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000019620907 179165904 /nfs/dbraw/zinc/16/59/04/179165904.db2.gz VFPRJDHZWDSDTD-UHFFFAOYSA-N 1 0 220.316 1.279 50 0 BDAARO Cc1ccccc1C(=O)N1CCC(C[NH3+])CC1 ZINC000020182481 179247367 /nfs/dbraw/zinc/24/73/67/179247367.db2.gz SUGNEXXHSVKGRP-UHFFFAOYSA-N 1 0 232.327 1.806 50 0 BDAARO Cc1ccccc1CCC(=O)N1CCC[C@H]1C[NH3+] ZINC000111366103 179260645 /nfs/dbraw/zinc/26/06/45/179260645.db2.gz XHKAMZOOTYEOQS-AWEZNQCLSA-N 1 0 246.354 1.877 50 0 BDAARO Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000019408808 179302145 /nfs/dbraw/zinc/30/21/45/179302145.db2.gz PCKQAGANWWJAKB-NSHDSACASA-N 1 0 218.300 1.933 50 0 BDAARO Cc1ccccc1[C@@H]([NH3+])CN1CCOCC1 ZINC000023071431 179325359 /nfs/dbraw/zinc/32/53/59/179325359.db2.gz RPJPQRYASAVQHY-ZDUSSCGKSA-N 1 0 220.316 1.327 50 0 BDAARO Cc1ccccc1[C@@H]1CCN(CC[NH3+])C1 ZINC000023093519 179328545 /nfs/dbraw/zinc/32/85/45/179328545.db2.gz NJVXTICIQNKNSS-GFCCVEGCSA-N 1 0 204.317 1.743 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+]CCn1ccnn1 ZINC000152676339 362916506 /nfs/dbraw/zinc/91/65/06/362916506.db2.gz QBTMSMYWHHHYMF-STQMWFEESA-N 1 0 234.347 1.860 50 0 BDAARO CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCn1ccnn1 ZINC000152676412 362916525 /nfs/dbraw/zinc/91/65/25/362916525.db2.gz QBTMSMYWHHHYMF-CHWSQXEVSA-N 1 0 234.347 1.860 50 0 BDAARO C[C@@H]1C[C@@H](C)CN(c2cc(N)c(N)c[nH+]2)C1 ZINC000669382566 538003078 /nfs/dbraw/zinc/00/30/78/538003078.db2.gz BTQGESSKOCGIIZ-RKDXNWHRSA-N 1 0 220.320 1.728 50 0 BDAARO C[NH+](C)CCOc1ccc2c(c1)OCCO2 ZINC000031623053 538003417 /nfs/dbraw/zinc/00/34/17/538003417.db2.gz OJGJXMSSGWKXEV-UHFFFAOYSA-N 1 0 223.272 1.398 50 0 BDAARO Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000335461471 179723267 /nfs/dbraw/zinc/72/32/67/179723267.db2.gz JVFVQWVLAHBIPG-NXEZZACHSA-N 1 0 211.284 1.709 50 0 BDAARO CC(C)OC(=O)c1cccnc1N1CC[C@H]([NH3+])C1 ZINC000118347914 348992194 /nfs/dbraw/zinc/99/21/94/348992194.db2.gz IMOVIMGSLCKDOP-JTQLQIEISA-N 1 0 249.314 1.184 50 0 BDAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000020284013 190982246 /nfs/dbraw/zinc/98/22/46/190982246.db2.gz ZYZSDPIYLJWATM-PHIMTYICSA-N 1 0 248.326 1.395 50 0 BDAARO CC(C)=CC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000065622602 191001784 /nfs/dbraw/zinc/00/17/84/191001784.db2.gz OQMHJQMPEFEYPB-LLVKDONJSA-N 1 0 210.321 1.505 50 0 BDAARO C([C@@H]1CCCO1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000076710114 191006643 /nfs/dbraw/zinc/00/66/43/191006643.db2.gz ANHZODBVTUMFQD-YNEHKIRRSA-N 1 0 225.332 1.809 50 0 BDAARO CC(C)NC(=O)NC[C@](C)([NH3+])C(C)(C)C ZINC000725254832 538048463 /nfs/dbraw/zinc/04/84/63/538048463.db2.gz GAZXRNOUJQTTGI-NSHDSACASA-N 1 0 215.341 1.458 50 0 BDAARO Cc1nc2ccccc2n1[C@@H]1CC[NH2+]C1 ZINC000051783664 350110414 /nfs/dbraw/zinc/11/04/14/350110414.db2.gz MQKMMOMIRYDQJX-SNVBAGLBSA-N 1 0 201.273 1.879 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000230940643 350098191 /nfs/dbraw/zinc/09/81/91/350098191.db2.gz GFIYSZRQHLQOOT-RYUDHWBXSA-N 1 0 224.279 1.614 50 0 BDAARO Cc1ncc(C[NH2+]CCn2cccn2)s1 ZINC000042351607 180151624 /nfs/dbraw/zinc/15/16/24/180151624.db2.gz RNUBSPRFNWATDP-UHFFFAOYSA-N 1 0 222.317 1.438 50 0 BDAARO Cc1nccn1CCC[N@@H+](C)C[C@H]1CCCO1 ZINC000125099830 180235665 /nfs/dbraw/zinc/23/56/65/180235665.db2.gz SFXATXJDUVZZAW-CYBMUJFWSA-N 1 0 237.347 1.692 50 0 BDAARO CC(=O)N1CCCC[C@H]1c1ccc[n+](C)c1 ZINC000000174817 191107931 /nfs/dbraw/zinc/10/79/31/191107931.db2.gz ZKXLGJXFNSDYJD-ZDUSSCGKSA-N 1 0 219.308 1.585 50 0 biogenic BDAARO COC(=O)CCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090008415 362989321 /nfs/dbraw/zinc/98/93/21/362989321.db2.gz CWEZNCHIIGUPEH-NSHDSACASA-N 1 0 227.304 1.050 50 0 BDAARO Clc1ncn(CC[NH+]2CCCCC2)n1 ZINC000096113695 180603314 /nfs/dbraw/zinc/60/33/14/180603314.db2.gz DMGUFKDDHDGTEQ-UHFFFAOYSA-N 1 0 214.700 1.417 50 0 BDAARO CC(C)CC(=O)NCCC[NH+]1CCCC1 ZINC000058430836 187612884 /nfs/dbraw/zinc/61/28/84/187612884.db2.gz SMCRCQRUAWSQLK-UHFFFAOYSA-N 1 0 212.337 1.635 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000060394246 187613525 /nfs/dbraw/zinc/61/35/25/187613525.db2.gz HGRDDBPZHZEGNY-BDAKNGLRSA-N 1 0 214.309 1.639 50 0 BDAARO CC(C)(C)OC[C@@H](O)C[NH+]1CCCCC1 ZINC000007636311 363110347 /nfs/dbraw/zinc/11/03/47/363110347.db2.gz HRXRETBQSYBCRR-NSHDSACASA-N 1 0 215.337 1.648 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C)C1 ZINC000536949796 323952323 /nfs/dbraw/zinc/95/23/23/323952323.db2.gz ZWRPWJNRJXPIGA-SKDRFNHKSA-N 1 0 226.320 1.463 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H]1C ZINC000246577842 188258767 /nfs/dbraw/zinc/25/87/67/188258767.db2.gz VIYLABHZSHGBOL-GMTAPVOTSA-N 1 0 212.337 1.474 50 0 BDAARO CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000041911140 188257174 /nfs/dbraw/zinc/25/71/74/188257174.db2.gz WVPRPUBFNTYSTC-NXEZZACHSA-N 1 0 228.336 1.010 50 0 BDAARO CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000515009 188273379 /nfs/dbraw/zinc/27/33/79/188273379.db2.gz QAEVFGOUSCYAPU-UHFFFAOYSA-N 1 0 233.315 1.397 50 0 BDAARO COc1ccc([C@H](C)NC(N)=[NH2+])cc1Cl ZINC000000527258 188273485 /nfs/dbraw/zinc/27/34/85/188273485.db2.gz WISCXBOOUGZHTL-LURJTMIESA-N 1 0 227.695 1.893 50 0 BDAARO CC1(C)N(O)CC(c2cccs2)[N+]1=O ZINC000000438673 188273522 /nfs/dbraw/zinc/27/35/22/188273522.db2.gz BMUZILCLJSNCEM-UHFFFAOYSA-N 1 0 212.274 1.488 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)c2ccoc2)CC1 ZINC000032842932 188284233 /nfs/dbraw/zinc/28/42/33/188284233.db2.gz AYKAFHNIBLIOLZ-UHFFFAOYSA-N 1 0 236.315 1.882 50 0 BDAARO C[NH+](C)CCOCCC(=O)OC(C)(C)C ZINC000035287607 188285427 /nfs/dbraw/zinc/28/54/27/188285427.db2.gz NXTQQOHNSMOEIV-UHFFFAOYSA-N 1 0 217.309 1.296 50 0 BDAARO Cc1ccc(O)c(C[NH2+]CCn2cccn2)n1 ZINC000069925767 188304910 /nfs/dbraw/zinc/30/49/10/188304910.db2.gz MGNITUHUGJCVOG-UHFFFAOYSA-N 1 0 232.287 1.082 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000011961085 188340664 /nfs/dbraw/zinc/34/06/64/188340664.db2.gz VGQPFIFWYHHVLD-NSHDSACASA-N 1 0 206.289 1.999 50 0 BDAARO COc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000022585264 188355653 /nfs/dbraw/zinc/35/56/53/188355653.db2.gz COLLSVTVGJFFCR-UHFFFAOYSA-N 1 0 222.332 1.689 50 0 BDAARO COc1c(N)cc[nH+]c1-c1ccccc1C(N)=O ZINC000216406317 188355808 /nfs/dbraw/zinc/35/58/08/188355808.db2.gz WKJXFRJMEFQZNU-UHFFFAOYSA-N 1 0 243.266 1.438 50 0 BDAARO CC(C)[N@@H+]1CCCN(Cc2cccn2C)CC1 ZINC000096489406 188366077 /nfs/dbraw/zinc/36/60/77/188366077.db2.gz ZKODLTWRMIIBIO-UHFFFAOYSA-N 1 0 235.375 1.941 50 0 BDAARO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCCCF ZINC000252508302 188369657 /nfs/dbraw/zinc/36/96/57/188369657.db2.gz XJOMIMJGSGCNHN-MNOVXSKESA-N 1 0 219.300 1.208 50 0 BDAARO Fc1cccc(OC[C@H]2[NH2+]CCS2)c1 ZINC000020444971 181002717 /nfs/dbraw/zinc/00/27/17/181002717.db2.gz ZQBBRHDXJIZLDR-JTQLQIEISA-N 1 0 213.277 1.867 50 0 BDAARO CC[C@@](C)(CCO)[NH2+]Cc1c[nH]nc1C ZINC000230221957 363299917 /nfs/dbraw/zinc/29/99/17/363299917.db2.gz XPHDPKNCKXILSE-NSHDSACASA-N 1 0 211.309 1.359 50 0 BDAARO NC(=[NH2+])NCc1csc2ccccc12 ZINC000058326830 181190671 /nfs/dbraw/zinc/19/06/71/181190671.db2.gz IBGGLKFLKVSPJX-UHFFFAOYSA-N 1 0 205.286 1.884 50 0 BDAARO NC(=[NH2+])Nc1ccc(Br)cc1 ZINC000013520436 181191328 /nfs/dbraw/zinc/19/13/28/181191328.db2.gz RNEXKKNNOIRYGI-UHFFFAOYSA-N 1 0 214.066 1.754 50 0 BDAARO NC(=[NH2+])c1ccc(OC(F)(F)F)cc1 ZINC000000264313 181195002 /nfs/dbraw/zinc/19/50/02/181195002.db2.gz GTNQVCMKCKPXBN-UHFFFAOYSA-N 1 0 204.151 1.869 50 0 BDAARO NC(=[NH2+])c1cncc(Br)c1 ZINC000084193740 181197521 /nfs/dbraw/zinc/19/75/21/181197521.db2.gz YSHUQBZQLDOQEM-UHFFFAOYSA-N 1 0 200.039 1.128 50 0 BDAARO COC(=O)[C@@H](C)C[N@H+](C)Cc1cccnc1 ZINC000035133377 355843910 /nfs/dbraw/zinc/84/39/10/355843910.db2.gz DFWSXYLIJKMBKW-JTQLQIEISA-N 1 0 222.288 1.323 50 0 BDAARO CC[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC000016580338 355889524 /nfs/dbraw/zinc/88/95/24/355889524.db2.gz PZNXHDUWKLFMJE-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)NCC2CCCCC2)C1 ZINC000335109178 355951129 /nfs/dbraw/zinc/95/11/29/355951129.db2.gz LJYFERHIQYBCBS-LLVKDONJSA-N 1 0 225.336 1.309 50 0 BDAARO NC(=O)CC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000000460035 181222662 /nfs/dbraw/zinc/22/26/62/181222662.db2.gz NRMHXNXTBHZFPV-LBPRGKRZSA-N 1 0 233.315 1.484 50 0 biogenic BDAARO NC(=O)C[NH2+][C@H](Cc1ccccc1)C1CCCC1 ZINC000096493158 181237451 /nfs/dbraw/zinc/23/74/51/181237451.db2.gz AVIRQAMWJYJNDW-CQSZACIVSA-N 1 0 246.354 1.863 50 0 BDAARO NC(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000098009967 181250943 /nfs/dbraw/zinc/25/09/43/181250943.db2.gz VLKYVIUGMRILSZ-UHFFFAOYSA-N 1 0 225.336 1.263 50 0 BDAARO CC(C)[C@@H]1CN(Cc2ccco2)CC[NH2+]1 ZINC000022926575 356369157 /nfs/dbraw/zinc/36/91/57/356369157.db2.gz UILSPQACLBTYNB-LBPRGKRZSA-N 1 0 208.305 1.709 50 0 BDAARO CCc1ccccc1[C@]1(O)CCC[NH2+]C1 ZINC000238316271 356382257 /nfs/dbraw/zinc/38/22/57/356382257.db2.gz SWYMUJVPZWUYIT-ZDUSSCGKSA-N 1 0 205.301 1.820 50 0 BDAARO C[N@H+](CC1CC(F)(F)C1)[C@H]1CCOC1 ZINC000336185963 134121415 /nfs/dbraw/zinc/12/14/15/134121415.db2.gz HWEYKSNLXFLFMF-VIFPVBQESA-N 1 0 205.248 1.752 50 0 BDAARO Cc1cc([C@@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)[nH]n1 ZINC000089599034 538581831 /nfs/dbraw/zinc/58/18/31/538581831.db2.gz SGJPJTTUMCQXNR-QWHCGFSZSA-N 1 0 249.358 1.934 50 0 BDAARO C1CCC(N2CC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000089818140 538584855 /nfs/dbraw/zinc/58/48/55/538584855.db2.gz HLAQHWSHGUDRIP-CYBMUJFWSA-N 1 0 238.375 1.772 50 0 BDAARO CC1(C)C[N@H+](CC2CC2)CC[S@@]1=O ZINC000089919658 538587010 /nfs/dbraw/zinc/58/70/10/538587010.db2.gz ZOFXLKAMQCPODX-CYBMUJFWSA-N 1 0 201.335 1.239 50 0 BDAARO [NH3+]CC(=O)N(C1CC1)C1Cc2ccccc2C1 ZINC000095971105 538611215 /nfs/dbraw/zinc/61/12/15/538611215.db2.gz QBTRQLLQUZNUSO-UHFFFAOYSA-N 1 0 230.311 1.104 50 0 BDAARO CCC[C@@H]1CCC[N@H+](CC2(CO)COC2)CC1 ZINC000075109097 356840992 /nfs/dbraw/zinc/84/09/92/356840992.db2.gz MQCJTJZCTMVGNB-CYBMUJFWSA-N 1 0 241.375 1.898 50 0 BDAARO Cc1cc(C)cc(N2CC[C@H]([NH3+])C2=O)c1 ZINC000049647883 357334867 /nfs/dbraw/zinc/33/48/67/357334867.db2.gz NNEFLPDNEYBWNW-NSHDSACASA-N 1 0 204.273 1.367 50 0 BDAARO Cc1ncccc1NC(=O)[C@H]([NH3+])CC(C)C ZINC000085727769 357545626 /nfs/dbraw/zinc/54/56/26/357545626.db2.gz CTXNDBVRBSSDES-SNVBAGLBSA-N 1 0 221.304 1.702 50 0 BDAARO NC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000002512965 181295240 /nfs/dbraw/zinc/29/52/40/181295240.db2.gz AQKSOYVHNMUJHZ-UHFFFAOYSA-N 1 0 204.273 1.253 50 0 BDAARO [NH3+]C1CCN(C(=O)Cc2ccccc2)CC1 ZINC000019281403 181343461 /nfs/dbraw/zinc/34/34/61/181343461.db2.gz ALPFRBHJSZBMKV-UHFFFAOYSA-N 1 0 218.300 1.179 50 0 BDAARO [NH3+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000004312868 181343930 /nfs/dbraw/zinc/34/39/30/181343930.db2.gz IHRXFIZAKNEYIT-UHFFFAOYSA-N 1 0 238.718 1.903 50 0 BDAARO [NH3+]CC1CCN(C(=O)COc2ccccc2)CC1 ZINC000020182532 181365472 /nfs/dbraw/zinc/36/54/72/181365472.db2.gz FMGNARXQWSFVSM-UHFFFAOYSA-N 1 0 248.326 1.263 50 0 BDAARO [NH3+]CCC(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000083931637 181366313 /nfs/dbraw/zinc/36/63/13/181366313.db2.gz AIZDMGFKLGDLSK-GFCCVEGCSA-N 1 0 233.315 1.484 50 0 biogenic BDAARO [NH3+]CCCC(=O)NCCc1c[nH]c2ccccc12 ZINC000011755417 181372616 /nfs/dbraw/zinc/37/26/16/181372616.db2.gz UWDBCAKFWFAQRH-UHFFFAOYSA-N 1 0 245.326 1.566 50 0 BDAARO [NH3+]CCCNC(=O)O[C@H]1CC/C=C/CCC1 ZINC000103690947 181382309 /nfs/dbraw/zinc/38/23/09/181382309.db2.gz MMNVKTBTNQJBEE-GXFZAYBSSA-N 1 0 226.320 1.950 50 0 BDAARO [NH3+]CCNC(=O)c1ccc(Cl)cc1Cl ZINC000022223501 181395127 /nfs/dbraw/zinc/39/51/27/181395127.db2.gz QGAYWUBUAABRKY-UHFFFAOYSA-N 1 0 233.098 1.682 50 0 BDAARO [NH3+]CCOc1ccc(-c2cccs2)nn1 ZINC000061957828 181399389 /nfs/dbraw/zinc/39/93/89/181399389.db2.gz FRDXMALUMNNNNX-UHFFFAOYSA-N 1 0 221.285 1.543 50 0 BDAARO [NH3+]CC[C@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000100427379 181408700 /nfs/dbraw/zinc/40/87/00/181408700.db2.gz GBOVZHSRGUTWQT-SSDOTTSWSA-N 1 0 210.664 1.725 50 0 BDAARO CC(=O)N[C@@](C)(C[NH3+])c1ccc2c(c1)CCCC2 ZINC000019808783 368371887 /nfs/dbraw/zinc/37/18/87/368371887.db2.gz HRYOEJISUYDPBS-HNNXBMFYSA-N 1 0 246.354 1.875 50 0 BDAARO Cc1cnc(CN2CCC[N@@H+](C(C)C)CC2)cn1 ZINC000069080912 368745140 /nfs/dbraw/zinc/74/51/40/368745140.db2.gz WTCGMNOGXVUVMT-UHFFFAOYSA-N 1 0 248.374 1.701 50 0 BDAARO Cc1ncc(C[NH+]2CCC([C@@H](C)CO)CC2)cn1 ZINC000584885054 369033301 /nfs/dbraw/zinc/03/33/01/369033301.db2.gz KAOUEYZGVLWXMR-NSHDSACASA-N 1 0 249.358 1.625 50 0 BDAARO C([NH2+][C@H]1CCCOC1)c1[nH]nc2c1CCCCC2 ZINC000584887100 369034612 /nfs/dbraw/zinc/03/46/12/369034612.db2.gz XYFIZLVBFSGMFG-NSHDSACASA-N 1 0 249.358 1.947 50 0 BDAARO O=C1CC[C@@H]([NH2+]C2(c3ccccc3)CC2)CCN1 ZINC000584889556 369037491 /nfs/dbraw/zinc/03/74/91/369037491.db2.gz LUCCLYBIIWIBED-CYBMUJFWSA-N 1 0 244.338 1.934 50 0 BDAARO Cc1nn(CC[NH2+][C@@H]2CCCOC2)c(C)c1C ZINC000584898464 369045497 /nfs/dbraw/zinc/04/54/97/369045497.db2.gz DSZFMIJOIZGPJT-CYBMUJFWSA-N 1 0 237.347 1.577 50 0 BDAARO [NH3+]C[C@H](CO)Cc1cc(F)ccc1F ZINC000037228256 181443975 /nfs/dbraw/zinc/44/39/75/181443975.db2.gz IQMMHOQEGBMMTK-SSDOTTSWSA-N 1 0 201.216 1.075 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)CCc1ccncc1 ZINC000132577075 181457547 /nfs/dbraw/zinc/45/75/47/181457547.db2.gz MDTIIHQJDAAXAR-CYBMUJFWSA-N 1 0 247.342 1.354 50 0 BDAARO [NH3+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000020224348 181484631 /nfs/dbraw/zinc/48/46/31/181484631.db2.gz ZIHQLBRCIDRRBM-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO COC[C@@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000328628446 371132636 /nfs/dbraw/zinc/13/26/36/371132636.db2.gz HGUUBDMWIBRJHG-GHMZBOCLSA-N 1 0 223.320 1.070 50 0 BDAARO [NH3+][C@@H](CCO)c1cccc(Br)c1 ZINC000012648873 181545140 /nfs/dbraw/zinc/54/51/40/181545140.db2.gz ITAZYIGUHYEVEU-VIFPVBQESA-N 1 0 230.105 1.831 50 0 BDAARO [NH3+][C@H]1CN(Cc2cc(C3CC3)n[nH]2)C[C@@H]1C1CC1 ZINC000091974147 181656836 /nfs/dbraw/zinc/65/68/36/181656836.db2.gz CRNUOLRJCVCYON-OLZOCXBDSA-N 1 0 246.358 1.456 50 0 BDAARO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc2n[nH]cc2c1 ZINC000085361588 181646210 /nfs/dbraw/zinc/64/62/10/181646210.db2.gz KVTTZHOQNNHCCJ-QWRGUYRKSA-N 1 0 244.298 1.629 50 0 BDAARO CS(=O)(=O)CC[NH+]1CC2CCC(CC2)C1 ZINC000096027581 371382617 /nfs/dbraw/zinc/38/26/17/371382617.db2.gz IQHODNQUGCMOQE-UHFFFAOYSA-N 1 0 231.361 1.153 50 0 BDAARO C[NH2+][C@@H](C)COc1ccc(C(C)=O)cc1 ZINC000096027912 371383777 /nfs/dbraw/zinc/38/37/77/371383777.db2.gz GLYDQANAMULFPJ-VIFPVBQESA-N 1 0 207.273 1.876 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2ccccn2)C1 ZINC000606441644 372101957 /nfs/dbraw/zinc/10/19/57/372101957.db2.gz HVHRZAVVEKFOOA-MEJMFZKBSA-N 1 0 245.326 1.305 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C\c1ccccc1F ZINC000606441953 372103624 /nfs/dbraw/zinc/10/36/24/372103624.db2.gz HGOAICLRUYUWHT-KRZKBDHCSA-N 1 0 248.301 1.789 50 0 BDAARO C[C@@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000032089886 372147285 /nfs/dbraw/zinc/14/72/85/372147285.db2.gz JBYHHQGWFKBNMP-CYBMUJFWSA-N 1 0 234.343 1.185 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@@H]1NCc1cc[nH]n1 ZINC000066992081 372654960 /nfs/dbraw/zinc/65/49/60/372654960.db2.gz NPLCHJZOZMRPEW-OLZOCXBDSA-N 1 0 229.283 1.158 50 0 BDAARO O=C(C[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000072314765 182021448 /nfs/dbraw/zinc/02/14/48/182021448.db2.gz WCTHKLKZKKEHEP-MRVPVSSYSA-N 1 0 211.286 1.309 50 0 BDAARO O=C(Cc1ccccc1)O[C@H]1CCC[NH2+]C1 ZINC000042768727 182043996 /nfs/dbraw/zinc/04/39/96/182043996.db2.gz GFQSVCTWFXHENU-LBPRGKRZSA-N 1 0 219.284 1.524 50 0 BDAARO O=C(Cc1ccccc1)O[C@H]1CC[NH2+]C1 ZINC000042768780 182044137 /nfs/dbraw/zinc/04/41/37/182044137.db2.gz JXBXDEUIDHXVLU-NSHDSACASA-N 1 0 205.257 1.134 50 0 BDAARO O=C(Cc1ccccc1)OC[C@@H]1CC[NH2+]C1 ZINC000042768770 182044405 /nfs/dbraw/zinc/04/44/05/182044405.db2.gz QIOVMJIPKJFFOD-GFCCVEGCSA-N 1 0 219.284 1.382 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccncc1 ZINC000040480798 373303634 /nfs/dbraw/zinc/30/36/34/373303634.db2.gz QYHYHIKZCKMOBE-LBPRGKRZSA-N 1 0 233.315 1.296 50 0 BDAARO O=C(NC1CCCCCC1)C1CC[NH2+]CC1 ZINC000002585089 182114466 /nfs/dbraw/zinc/11/44/66/182114466.db2.gz XKUDHOSLXFVHIT-UHFFFAOYSA-N 1 0 224.348 1.825 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000004298816 182115311 /nfs/dbraw/zinc/11/53/11/182115311.db2.gz IQRBPUVIUQDULO-UHFFFAOYSA-N 1 0 222.263 1.308 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1cc(Cl)ccn1 ZINC000042768412 182116232 /nfs/dbraw/zinc/11/62/32/182116232.db2.gz NJHMDUGHCXKPTI-UHFFFAOYSA-N 1 0 239.706 1.217 50 0 BDAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccncc1 ZINC000029091521 182116527 /nfs/dbraw/zinc/11/65/27/182116527.db2.gz FNUURWVJNXXHDO-UHFFFAOYSA-N 1 0 245.326 1.438 50 0 BDAARO O=C(NC1CC[NH2+]CC1)c1ccccc1 ZINC000004290748 182116569 /nfs/dbraw/zinc/11/65/69/182116569.db2.gz JMQDNLCNCDSHNC-UHFFFAOYSA-N 1 0 204.273 1.168 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCO1 ZINC000071884710 182184966 /nfs/dbraw/zinc/18/49/66/182184966.db2.gz KWSJUTIZBZFFNE-LBPRGKRZSA-N 1 0 240.347 1.158 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCO1 ZINC000071884711 182184418 /nfs/dbraw/zinc/18/44/18/182184418.db2.gz KWSJUTIZBZFFNE-GFCCVEGCSA-N 1 0 240.347 1.158 50 0 BDAARO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000069452622 182242440 /nfs/dbraw/zinc/24/24/40/182242440.db2.gz KAUQTQMZWMHEHM-GFCCVEGCSA-N 1 0 244.338 1.901 50 0 BDAARO Cc1oc2ncn(CCC[NH+](C)C)c(=N)c2c1C ZINC000009575412 374166122 /nfs/dbraw/zinc/16/61/22/374166122.db2.gz BVYQUDYGRJSOAT-UHFFFAOYSA-N 1 0 248.330 1.677 50 0 in-vitro BDAARO COC(OC)[C@@H](C)[NH2+]Cc1ccccc1F ZINC000070653111 374171560 /nfs/dbraw/zinc/17/15/60/374171560.db2.gz XRNPNLODSUBQSL-SECBINFHSA-N 1 0 227.279 1.923 50 0 BDAARO O=C(NCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000011754380 182255276 /nfs/dbraw/zinc/25/52/76/182255276.db2.gz WOXWRWOEURENTO-NSHDSACASA-N 1 0 204.273 1.055 50 0 BDAARO O=C(NCc1ccco1)[C@H]1CCc2nc[nH]c2C1 ZINC000225509646 182262949 /nfs/dbraw/zinc/26/29/49/182262949.db2.gz QFXNYRTWCFDCIM-VIFPVBQESA-N 1 0 245.282 1.424 50 0 BDAARO O=C(NCc1ccccc1F)[C@H]1CCC[NH2+]1 ZINC000019411901 182257070 /nfs/dbraw/zinc/25/70/70/182257070.db2.gz MTARGVWTABQPFH-LLVKDONJSA-N 1 0 222.263 1.194 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000070949938 182295169 /nfs/dbraw/zinc/29/51/69/182295169.db2.gz LYZBIMBIEKWBGK-LLVKDONJSA-N 1 0 238.718 1.822 50 0 BDAARO CC(C)[C@@](C)(O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194452745 206089541 /nfs/dbraw/zinc/08/95/41/206089541.db2.gz OMDXDLGXKIHUSC-RYUDHWBXSA-N 1 0 213.321 1.676 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1F ZINC000019278025 182329744 /nfs/dbraw/zinc/32/97/44/182329744.db2.gz MAXXUBNWCPLXDI-VIFPVBQESA-N 1 0 240.253 1.447 50 0 BDAARO O=C(N[C@H]1CC[NH2+]C1)OCc1ccccc1 ZINC000002527479 182336163 /nfs/dbraw/zinc/33/61/63/182336163.db2.gz DSOICHFMGRBFCM-NSHDSACASA-N 1 0 220.272 1.275 50 0 BDAARO O=C(Nc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000019411212 182356297 /nfs/dbraw/zinc/35/62/97/182356297.db2.gz JVTOWVQAGGDBTH-LLVKDONJSA-N 1 0 222.263 1.906 50 0 BDAARO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]1 ZINC000011754519 182364106 /nfs/dbraw/zinc/36/41/06/182364106.db2.gz ZMISFMUNLMWIGO-JTQLQIEISA-N 1 0 248.282 1.148 50 0 BDAARO O=C(Nc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000019411267 182377413 /nfs/dbraw/zinc/37/74/13/182377413.db2.gz MFCCQIZJSIYKQV-NSHDSACASA-N 1 0 204.273 1.767 50 0 BDAARO O=C(Nc1cccc(F)c1F)[C@H]1CC[NH2+]C1 ZINC000062115534 182371212 /nfs/dbraw/zinc/37/12/12/182371212.db2.gz LZULADSALBRLMX-ZETCQYMHSA-N 1 0 226.226 1.513 50 0 BDAARO O=S(=O)([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000095908518 182882268 /nfs/dbraw/zinc/88/22/68/182882268.db2.gz PTDVVBVRCOJYLS-SNVBAGLBSA-N 1 0 217.334 1.096 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000069875939 170398862 /nfs/dbraw/zinc/39/88/62/170398862.db2.gz LGYDDIZMOMOBJE-GHMZBOCLSA-N 1 0 201.310 1.258 50 0 BDAARO O=c1[nH]c(-c2ccccc2F)nc2c1CC[NH2+]C2 ZINC000077538313 182970019 /nfs/dbraw/zinc/97/00/19/182970019.db2.gz BWYANZVIBREXLS-UHFFFAOYSA-N 1 0 245.257 1.222 50 0 BDAARO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000038343382 183023510 /nfs/dbraw/zinc/02/35/10/183023510.db2.gz ROZUZZWOTMMUTR-FUNVUKJBSA-N 1 0 203.285 1.789 50 0 BDAARO OCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050266833 183055994 /nfs/dbraw/zinc/05/59/94/183055994.db2.gz MWGTWAJWUFGJQR-ZDUSSCGKSA-N 1 0 205.301 1.858 50 0 BDAARO OCC[NH2+]CCCCOc1ccccc1 ZINC000002899040 183078114 /nfs/dbraw/zinc/07/81/14/183078114.db2.gz KYYBXVGBRAZOFG-UHFFFAOYSA-N 1 0 209.289 1.428 50 0 BDAARO OCC[NH2+][C@H]1CCc2cc3c(cc21)OCCO3 ZINC000095419461 183079577 /nfs/dbraw/zinc/07/95/77/183079577.db2.gz HHSOOBCAMUJCTA-NSHDSACASA-N 1 0 235.283 1.027 50 0 BDAARO OCC[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000066347895 183096134 /nfs/dbraw/zinc/09/61/34/183096134.db2.gz ILTULPUUFNFODT-LBPRGKRZSA-N 1 0 225.719 1.954 50 0 BDAARO OCC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000096490888 183091622 /nfs/dbraw/zinc/09/16/22/183091622.db2.gz YVTGDKISTBFCBJ-TZMCWYRMSA-N 1 0 235.327 1.736 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1 ZINC000023114847 183118235 /nfs/dbraw/zinc/11/82/35/183118235.db2.gz XJOLZGNBOXJMQY-GFCCVEGCSA-N 1 0 221.300 1.597 50 0 BDAARO OC[C@@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000097049693 183107807 /nfs/dbraw/zinc/10/78/07/183107807.db2.gz YWFHFNRELUHPNL-OAHLLOKOSA-N 1 0 248.370 1.796 50 0 BDAARO OC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000125248485 183148608 /nfs/dbraw/zinc/14/86/08/183148608.db2.gz UYDBXBKOFUFCJW-OLZOCXBDSA-N 1 0 237.347 1.414 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000000757185 183150975 /nfs/dbraw/zinc/15/09/75/183150975.db2.gz BKEJZQJWZQPDOH-SNVBAGLBSA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@]1(Cc2ccc(F)cc2F)CCC[NH2+]C1 ZINC000067805352 183158282 /nfs/dbraw/zinc/15/82/82/183158282.db2.gz KCJYBWXZEKSFRR-ZDUSSCGKSA-N 1 0 241.281 1.869 50 0 BDAARO CCCN(C)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000087221945 169058899 /nfs/dbraw/zinc/05/88/99/169058899.db2.gz HTLDGZNTGDVFGG-MNOVXSKESA-N 1 0 212.337 1.762 50 0 BDAARO O[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000239375 183194277 /nfs/dbraw/zinc/19/42/77/183194277.db2.gz UDDMCBUEJDPBKF-GFCCVEGCSA-N 1 0 209.264 1.782 50 0 BDAARO O[C@H](C[NH2+]Cc1ncc[nH]1)Cc1ccccc1 ZINC000066594061 183225202 /nfs/dbraw/zinc/22/52/02/183225202.db2.gz GXUQTBNQYNTWPN-LBPRGKRZSA-N 1 0 231.299 1.103 50 0 BDAARO O[C@H](COc1ccccc1)C[NH+]1CCCCC1 ZINC000000037905 183225961 /nfs/dbraw/zinc/22/59/61/183225961.db2.gz QPMPQYGUAKDGAE-ZDUSSCGKSA-N 1 0 235.327 1.912 50 0 in-vitro BDAARO Oc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000022591683 183268635 /nfs/dbraw/zinc/26/86/35/183268635.db2.gz ZLZNYSYKGWIHEA-LBPRGKRZSA-N 1 0 207.273 1.349 50 0 BDAARO CCCN(CC[NH+](C)C)C(=O)CCCOC ZINC000089958897 169155350 /nfs/dbraw/zinc/15/53/50/169155350.db2.gz XTTVUOMBYMHPPR-UHFFFAOYSA-N 1 0 230.352 1.213 50 0 BDAARO S=C1SCCN1C[NH+]1CCCC1 ZINC000019865123 183313868 /nfs/dbraw/zinc/31/38/68/183313868.db2.gz RJBUWWWKRPBMCE-UHFFFAOYSA-N 1 0 202.348 1.373 50 0 BDAARO c1cc(-c2nnc([C@H]3CCCC[NH2+]3)[nH]2)ccn1 ZINC000082752733 183330218 /nfs/dbraw/zinc/33/02/18/183330218.db2.gz RPYAPCTURZSAHA-SNVBAGLBSA-N 1 0 229.287 1.681 50 0 BDAARO CCC[N@@H+]1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21 ZINC000000005041 169198822 /nfs/dbraw/zinc/19/88/22/169198822.db2.gz TUFADSGTJUOBEH-ZWNOBZJWSA-N 1 0 246.358 1.648 50 0 in-man BDAARO CCC[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000069951906 169203921 /nfs/dbraw/zinc/20/39/21/169203921.db2.gz REPNFEWSVDHOOW-GFCCVEGCSA-N 1 0 214.353 1.439 50 0 BDAARO c1cc(CC[NH+]2CCSCC2)ccn1 ZINC000069454576 183338090 /nfs/dbraw/zinc/33/80/90/183338090.db2.gz TUXSXFYDQCFHHR-UHFFFAOYSA-N 1 0 208.330 1.673 50 0 BDAARO c1cc(C[NH2+]CCN2CCCC2)cs1 ZINC000020126778 183350179 /nfs/dbraw/zinc/35/01/79/183350179.db2.gz XUJLQMYDDJQGIZ-UHFFFAOYSA-N 1 0 210.346 1.934 50 0 BDAARO c1ccc(CC[NH2+]CCc2ccccn2)nc1 ZINC000004623973 183393242 /nfs/dbraw/zinc/39/32/42/183393242.db2.gz YPBFSKLYDPJFJG-UHFFFAOYSA-N 1 0 227.311 1.851 50 0 BDAARO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000095399531 169312987 /nfs/dbraw/zinc/31/29/87/169312987.db2.gz BKIXVAGWEMOMFB-RYUDHWBXSA-N 1 0 242.363 1.354 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]12CC[NH2+]C2 ZINC000075824171 166653934 /nfs/dbraw/zinc/65/39/34/166653934.db2.gz OJDKDBHLSUSOBW-LLVKDONJSA-N 1 0 212.293 1.359 50 0 BDAARO CCC[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000070626874 169498472 /nfs/dbraw/zinc/49/84/72/169498472.db2.gz LKZBYZJNGSHFDB-MRVPVSSYSA-N 1 0 202.298 1.639 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H]1C[NH2+]C2 ZINC000095215341 166658085 /nfs/dbraw/zinc/65/80/85/166658085.db2.gz UHWAZPYFRBULMP-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)NC1CC[NH2+]CC1 ZINC000000129481 166660173 /nfs/dbraw/zinc/66/01/73/166660173.db2.gz CKXZPVPIDOJLLM-UHFFFAOYSA-N 1 0 200.282 1.263 50 0 BDAARO COC(=O)c1ccc(C[n+]2ccccc2)cc1 ZINC000000321223 383854344 /nfs/dbraw/zinc/85/43/44/383854344.db2.gz JDWPSAGFMQLNGS-UHFFFAOYSA-N 1 0 228.271 1.809 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000000383072 383861651 /nfs/dbraw/zinc/86/16/51/383861651.db2.gz VMMMENNLKBFHLB-UHFFFAOYSA-N 1 0 232.327 1.821 50 0 BDAARO CC(=O)c1cc(C(C)=O)c(C)[n+](C)c1C ZINC000000501268 383872170 /nfs/dbraw/zinc/87/21/70/383872170.db2.gz ARWBRJACSQUMIL-UHFFFAOYSA-N 1 0 206.265 1.533 50 0 BDAARO c1ccc2c(c1)[nH]c1c2CCNC12CC[NH2+]CC2 ZINC000000156252 383835292 /nfs/dbraw/zinc/83/52/92/383835292.db2.gz QSXMLEPSIAKXGA-UHFFFAOYSA-N 1 0 241.338 1.892 50 0 BDAARO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccs1 ZINC000036871735 383917128 /nfs/dbraw/zinc/91/71/28/383917128.db2.gz ICBPNXNIIVHBPZ-YUMQZZPRSA-N 1 0 212.318 1.663 50 0 BDAARO CN1c2ccccc2[C@]2(CCC[NH2+]C2)C1=O ZINC000067425214 383922246 /nfs/dbraw/zinc/92/22/46/383922246.db2.gz WFVNSFIYTRKAIS-CYBMUJFWSA-N 1 0 216.284 1.284 50 0 BDAARO CCc1ccc([C@H]([NH3+])CC(=O)OC)cc1 ZINC000001304707 383894189 /nfs/dbraw/zinc/89/41/89/383894189.db2.gz AYPDUDDQDAFJQH-LLVKDONJSA-N 1 0 207.273 1.812 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000050246124 383986292 /nfs/dbraw/zinc/98/62/92/383986292.db2.gz PEBKOHZPMKVHAJ-LLVKDONJSA-N 1 0 236.290 1.175 50 0 BDAARO C[NH+](C)CCCOC(=O)c1ccccc1 ZINC000002900680 383993723 /nfs/dbraw/zinc/99/37/23/383993723.db2.gz HYFRSDYVPRIFOE-UHFFFAOYSA-N 1 0 207.273 1.795 50 0 in-vitro BDAARO CC(C)(C)n1cc(CN2CC[NH2+]CC2)cn1 ZINC000068587384 383999487 /nfs/dbraw/zinc/99/94/87/383999487.db2.gz DLPYKHNMJSOFDN-UHFFFAOYSA-N 1 0 222.336 1.043 50 0 BDAARO CSCCC(=O)NCC1CC[NH+](C)CC1 ZINC000067833495 383950509 /nfs/dbraw/zinc/95/05/09/383950509.db2.gz SHKJKNVLNACYAQ-UHFFFAOYSA-N 1 0 230.377 1.198 50 0 BDAARO COc1ccc(F)cc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237168728 383957387 /nfs/dbraw/zinc/95/73/87/383957387.db2.gz BVBZTTXTFYFBAU-SECBINFHSA-N 1 0 238.262 1.008 50 0 BDAARO c1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000002390512 383961222 /nfs/dbraw/zinc/96/12/22/383961222.db2.gz KQESXQMPXOHCCM-ZDUSSCGKSA-N 1 0 221.300 1.834 50 0 BDAARO [NH3+]Cc1ccc(O)c(Br)c1 ZINC000002524598 383971823 /nfs/dbraw/zinc/97/18/23/383971823.db2.gz AOZGJQUAZCZJOH-UHFFFAOYSA-N 1 0 202.051 1.613 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]1CC[NH3+] ZINC000002527460 383971903 /nfs/dbraw/zinc/97/19/03/383971903.db2.gz VCYKQOGWPICUKV-SECBINFHSA-N 1 0 214.309 1.735 50 0 BDAARO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1 ZINC000158573132 384019986 /nfs/dbraw/zinc/01/99/86/384019986.db2.gz QNVFOUAMZDXEEL-XHDPSFHLSA-N 1 0 225.357 1.885 50 0 BDAARO C[NH+](C)CCCNC(=O)c1cccnc1Cl ZINC000003410619 384010349 /nfs/dbraw/zinc/01/03/49/384010349.db2.gz ZZGIOUHJZRAVSA-UHFFFAOYSA-N 1 0 241.722 1.417 50 0 BDAARO O=C1OC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000004203331 384044791 /nfs/dbraw/zinc/04/47/91/384044791.db2.gz BZOLMBUOVVXGMF-NWDGAFQWSA-N 1 0 217.268 1.291 50 0 BDAARO COC(=O)c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000035571908 384080897 /nfs/dbraw/zinc/08/08/97/384080897.db2.gz KNEZYFRQMRLOHZ-LLVKDONJSA-N 1 0 219.284 1.625 50 0 BDAARO Cn1cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050595880 384102824 /nfs/dbraw/zinc/10/28/24/384102824.db2.gz NFEPGKWTVCGLMK-GFCCVEGCSA-N 1 0 233.359 1.599 50 0 BDAARO [NH3+][C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000070495446 384114167 /nfs/dbraw/zinc/11/41/67/384114167.db2.gz OSFXPKWPVPCQSZ-LLVKDONJSA-N 1 0 240.253 1.415 50 0 BDAARO C[C@H]([NH2+]CCO)c1ccc2c(c1)OCCO2 ZINC000004992661 384094348 /nfs/dbraw/zinc/09/43/48/384094348.db2.gz VCIJHPGKYRBWPP-VIFPVBQESA-N 1 0 223.272 1.101 50 0 BDAARO Cc1ccc(C(=O)NCCC[NH+](C)C)cc1C ZINC000005546705 384120646 /nfs/dbraw/zinc/12/06/46/384120646.db2.gz WNIAYEDKENRQAK-UHFFFAOYSA-N 1 0 234.343 1.985 50 0 BDAARO C[NH2+][C@@H](CN1CCCC1)C1CCOCC1 ZINC000039982816 384125213 /nfs/dbraw/zinc/12/52/13/384125213.db2.gz NNOWKUNCHNLIAZ-LBPRGKRZSA-N 1 0 212.337 1.097 50 0 BDAARO Cc1cc(N(C)Cc2ccncc2C)nc(N)[nH+]1 ZINC000091380940 384125745 /nfs/dbraw/zinc/12/57/45/384125745.db2.gz NUUXWUDMEQZUST-UHFFFAOYSA-N 1 0 243.314 1.707 50 0 BDAARO O=C1c2ccccc2CN1[C@H]1CC[NH2+]C1 ZINC000040449802 384154089 /nfs/dbraw/zinc/15/40/89/384154089.db2.gz VWSCJPFMSDBIHM-JTQLQIEISA-N 1 0 202.257 1.004 50 0 BDAARO Fc1ccc(-n2nnnc2C2CC[NH2+]CC2)cc1 ZINC000091690483 384138411 /nfs/dbraw/zinc/13/84/11/384138411.db2.gz YQQQLMZLMBMCFZ-UHFFFAOYSA-N 1 0 247.277 1.268 50 0 BDAARO CC(C)([NH2+]CCCO)c1nccs1 ZINC000072662424 384171833 /nfs/dbraw/zinc/17/18/33/384171833.db2.gz UFVRRLWGZWIDIX-UHFFFAOYSA-N 1 0 200.307 1.350 50 0 BDAARO [NH3+][C@@H]1COc2cc(F)c(Br)cc21 ZINC000116924305 384159241 /nfs/dbraw/zinc/15/92/41/384159241.db2.gz UDMDMXVIJMFYRG-SSDOTTSWSA-N 1 0 232.052 1.980 50 0 BDAARO O=C(OCC[NH+]1CCCC1)[C@H](O)c1ccccc1 ZINC000071774091 384178249 /nfs/dbraw/zinc/17/82/49/384178249.db2.gz UVHQOLUSVCKAKJ-CYBMUJFWSA-N 1 0 249.310 1.359 50 0 BDAARO FC(F)(F)[C@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000071790831 384179324 /nfs/dbraw/zinc/17/93/24/384179324.db2.gz FFXGRLTZDZQINO-ZXZARUISSA-N 1 0 207.117 1.947 50 0 BDAARO C[C@@H]([NH3+])c1noc(Cc2noc3ccccc32)n1 ZINC000041121748 384181424 /nfs/dbraw/zinc/18/14/24/384181424.db2.gz KQQUGBJVFMLPOR-SSDOTTSWSA-N 1 0 244.254 1.821 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]CCC1Cc2ccccc2C1 ZINC000090853865 384187734 /nfs/dbraw/zinc/18/77/34/384187734.db2.gz NIOFWTZBDYWSHI-LLVKDONJSA-N 1 0 246.354 1.645 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)c1coc2ccccc12 ZINC000135235611 384189965 /nfs/dbraw/zinc/18/99/65/384189965.db2.gz UUWHDDJLQOIJJH-VIFPVBQESA-N 1 0 232.283 1.852 50 0 BDAARO c1ccc2oc(NC[C@@H]3C[NH2+]CCOC3)nc2c1 ZINC000072159014 384198063 /nfs/dbraw/zinc/19/80/63/384198063.db2.gz BASYIAFDGBIRDV-JTQLQIEISA-N 1 0 247.298 1.476 50 0 BDAARO CCCCCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000071920937 384199936 /nfs/dbraw/zinc/19/99/36/384199936.db2.gz GMIBMSRXNHQKLE-LLVKDONJSA-N 1 0 248.392 1.320 50 0 BDAARO c1nc2c([nH]1)[C@@H](c1cccnc1)[NH2+]CC2 ZINC000008733352 384216354 /nfs/dbraw/zinc/21/63/54/384216354.db2.gz GBMWJSLSINTZJI-SNVBAGLBSA-N 1 0 200.245 1.040 50 0 biogenic BDAARO c1ccc(OCCO[C@H]2CCC[NH2+]C2)cc1 ZINC000042775880 384243297 /nfs/dbraw/zinc/24/32/97/384243297.db2.gz QAADPSPDYUIHRA-ZDUSSCGKSA-N 1 0 221.300 1.834 50 0 BDAARO CC(C)c1nnc(NC(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000073350800 384249665 /nfs/dbraw/zinc/24/96/65/384249665.db2.gz DDIPZUQQBRWLPD-ZETCQYMHSA-N 1 0 240.332 1.352 50 0 BDAARO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nccn1C ZINC000408514338 384265516 /nfs/dbraw/zinc/26/55/16/384265516.db2.gz IZKHNNHQXSJGIC-IJLUTSLNSA-N 1 0 237.347 1.401 50 0 BDAARO O=S(=O)(C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000011967504 384305297 /nfs/dbraw/zinc/30/52/97/384305297.db2.gz YMIXVHSVINSUPQ-LLVKDONJSA-N 1 0 239.340 1.460 50 0 BDAARO C[NH+](C)CCCOc1ccccc1CO ZINC000012370630 384312977 /nfs/dbraw/zinc/31/29/77/384312977.db2.gz KEQGOXOOPXJVFM-UHFFFAOYSA-N 1 0 209.289 1.509 50 0 BDAARO Nc1ccc(Br)cc1C[NH3+] ZINC000044068857 384313427 /nfs/dbraw/zinc/31/34/27/384313427.db2.gz JXPHLUCMHXXHEJ-UHFFFAOYSA-N 1 0 201.067 1.490 50 0 BDAARO [NH3+]Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000012395427 384316991 /nfs/dbraw/zinc/31/69/91/384316991.db2.gz RRPBVAZFGFIHSP-UHFFFAOYSA-N 1 0 207.664 1.984 50 0 BDAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(N)=O ZINC000078516442 384292676 /nfs/dbraw/zinc/29/26/76/384292676.db2.gz RGYMAUIWAGBNCR-GXFFZTMASA-N 1 0 232.327 1.991 50 0 BDAARO COc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000011729470 384294283 /nfs/dbraw/zinc/29/42/83/384294283.db2.gz JDACBLXRPFJSHT-UHFFFAOYSA-N 1 0 220.316 1.618 50 0 BDAARO [NH3+][C@@H]1COc2ccc(OC(F)(F)F)cc21 ZINC000075882295 384345677 /nfs/dbraw/zinc/34/56/77/384345677.db2.gz ZDVWVQNLYWQEOU-SSDOTTSWSA-N 1 0 219.162 1.977 50 0 BDAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000097111542 384374166 /nfs/dbraw/zinc/37/41/66/384374166.db2.gz LUZQYYNDCDZPIK-SRVKXCTJSA-N 1 0 242.363 1.399 50 0 BDAARO COC(=O)[C@H](C)SCC[C@H]1CCC[N@@H+]1C ZINC000097102252 384360118 /nfs/dbraw/zinc/36/01/18/384360118.db2.gz FYZRCKFLMSGIGQ-VHSXEESVSA-N 1 0 231.361 1.765 50 0 BDAARO CC[C@@H](C)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210797 384364795 /nfs/dbraw/zinc/36/47/95/384364795.db2.gz RSGBNJYQGQOTON-ZYHUDNBSSA-N 1 0 220.316 1.471 50 0 BDAARO CC(C)(C)OC(=O)N1C2CC3CC1CC(C2)[NH2+]3 ZINC000095743361 384393470 /nfs/dbraw/zinc/39/34/70/384393470.db2.gz LHHNQYJCOKFOAC-UHFFFAOYSA-N 1 0 238.331 1.889 50 0 BDAARO Cc1ccc(OC[C@H]2CCC[NH2+]C2)cn1 ZINC000014631308 384399493 /nfs/dbraw/zinc/39/94/93/384399493.db2.gz VGGVMJBXDMMNCJ-NSHDSACASA-N 1 0 206.289 1.768 50 0 BDAARO CC(=O)NCc1ccc([C@H]2CCC[NH2+]2)o1 ZINC000095829684 384400754 /nfs/dbraw/zinc/40/07/54/384400754.db2.gz FITDSXOCNDKUDE-SNVBAGLBSA-N 1 0 208.261 1.340 50 0 BDAARO CC(C)(C)c1cc(CN2CC[C@H]3C[NH2+]C[C@H]32)[nH]n1 ZINC000077304011 384402256 /nfs/dbraw/zinc/40/22/56/384402256.db2.gz OJOSUXLKLNKEAE-CMPLNLGQSA-N 1 0 248.374 1.501 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000095971458 384418981 /nfs/dbraw/zinc/41/89/81/384418981.db2.gz MRFNBTAWOSECCB-GFCCVEGCSA-N 1 0 236.290 1.318 50 0 BDAARO c1cn(Cc2cccnc2)c(C2CC[NH2+]CC2)n1 ZINC000096032236 384422182 /nfs/dbraw/zinc/42/21/82/384422182.db2.gz IUQPTUSMJRXNMZ-UHFFFAOYSA-N 1 0 242.326 1.793 50 0 BDAARO O=C1OCC[C@@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000095628885 384384468 /nfs/dbraw/zinc/38/44/68/384384468.db2.gz JHJRHUJQJKLEED-CQSZACIVSA-N 1 0 246.310 1.761 50 0 BDAARO Cn1ccnc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000084331639 384390178 /nfs/dbraw/zinc/39/01/78/384390178.db2.gz VILOUEGRDKWFLO-NSHDSACASA-N 1 0 245.330 1.284 50 0 BDAARO C[N@H+](CCCn1cccn1)CCc1ccncc1 ZINC000097294964 384509749 /nfs/dbraw/zinc/50/97/49/384509749.db2.gz AYCFGDBZFZEUEN-UHFFFAOYSA-N 1 0 244.342 1.843 50 0 BDAARO Cc1cc(C(=O)NCCC[NH+]2CCCC2)no1 ZINC000061547815 384489498 /nfs/dbraw/zinc/48/94/98/384489498.db2.gz CEXUBJWYQBSVRC-UHFFFAOYSA-N 1 0 237.303 1.199 50 0 BDAARO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000019362062 384516934 /nfs/dbraw/zinc/51/69/34/384516934.db2.gz KPUFYSBGJJQBJI-YPMHNXCESA-N 1 0 220.316 1.407 50 0 BDAARO C[NH+](C)CCNC(=O)c1cccnc1Cl ZINC000019397188 384519941 /nfs/dbraw/zinc/51/99/41/384519941.db2.gz RDUGELQMQXAIFW-UHFFFAOYSA-N 1 0 227.695 1.026 50 0 BDAARO O=C(Nc1nccs1)C1CC[NH2+]CC1 ZINC000019409954 384521479 /nfs/dbraw/zinc/52/14/79/384521479.db2.gz DPZOPKLJXAGNNK-UHFFFAOYSA-N 1 0 211.290 1.081 50 0 BDAARO O=C(Nc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000019410763 384522318 /nfs/dbraw/zinc/52/23/18/384522318.db2.gz PUAIYAJUDSEEDX-ZETCQYMHSA-N 1 0 211.290 1.081 50 0 BDAARO c1ccc(OCCOC2CC[NH2+]CC2)cc1 ZINC000019505443 384526026 /nfs/dbraw/zinc/52/60/26/384526026.db2.gz XSADPCARLFCVPX-UHFFFAOYSA-N 1 0 221.300 1.834 50 0 BDAARO CN(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000019607068 384529374 /nfs/dbraw/zinc/52/93/74/384529374.db2.gz AYJRCPDLNQCUIV-UHFFFAOYSA-N 1 0 228.286 1.958 50 0 BDAARO CNc1cc(C)nc(C2CC[NH2+]CC2)n1 ZINC000019686526 384530630 /nfs/dbraw/zinc/53/06/30/384530630.db2.gz CGEPYIVVHQHCAU-UHFFFAOYSA-N 1 0 206.293 1.294 50 0 BDAARO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1 ZINC000098209910 384605501 /nfs/dbraw/zinc/60/55/01/384605501.db2.gz OJZFCODDXKJJIK-YPMHNXCESA-N 1 0 221.300 1.316 50 0 BDAARO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(N)=O ZINC000097048980 384606894 /nfs/dbraw/zinc/60/68/94/384606894.db2.gz MPAUKSZYXUXQRL-UWVGGRQHSA-N 1 0 206.289 1.254 50 0 BDAARO [NH3+]C[C@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000050247961 384612463 /nfs/dbraw/zinc/61/24/63/384612463.db2.gz KQJCNVRABDDBPB-SNVBAGLBSA-N 1 0 230.315 1.344 50 0 BDAARO NC(=[NH2+])N1CCN(c2ccccc2Cl)CC1 ZINC000100063994 384614017 /nfs/dbraw/zinc/61/40/17/384614017.db2.gz SNCIEEKNMXVMQY-UHFFFAOYSA-N 1 0 238.722 1.355 50 0 BDAARO CC[NH+](CC)CCN1CCOCC[C@@H]1C ZINC000097051503 384620621 /nfs/dbraw/zinc/62/06/21/384620621.db2.gz WDEURLWWBMOVBU-LBPRGKRZSA-N 1 0 214.353 1.439 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000097081555 384669759 /nfs/dbraw/zinc/66/97/59/384669759.db2.gz JKVJXHWEGLAZAV-NXEZZACHSA-N 1 0 243.347 1.731 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000141484699 384672846 /nfs/dbraw/zinc/67/28/46/384672846.db2.gz XMYGQAXKEOMNDO-GMTAPVOTSA-N 1 0 240.347 1.899 50 0 BDAARO Nc1[nH+]ccc2[nH]cc(Br)c21 ZINC000082372920 384674549 /nfs/dbraw/zinc/67/45/49/384674549.db2.gz 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241.331 1.806 50 0 BDAARO c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000065375282 385304705 /nfs/dbraw/zinc/30/47/05/385304705.db2.gz QLDHRYYHKIOASW-YPMHNXCESA-N 1 0 217.316 1.408 50 0 BDAARO CC/C=C(\C)C[N@@H+]1C[C@H](N(C)C)C[C@H]1CO ZINC000065405901 385306465 /nfs/dbraw/zinc/30/64/65/385306465.db2.gz UOZVEFKGVUNHHX-YCBFNFSOSA-N 1 0 226.364 1.340 50 0 BDAARO Cc1nccn1CC[NH2+][C@H](C)CCn1cccn1 ZINC000272337178 385290924 /nfs/dbraw/zinc/29/09/24/385290924.db2.gz BEOVCDGALNAYOA-GFCCVEGCSA-N 1 0 247.346 1.456 50 0 BDAARO Cc1nnc(SCC2C[NH2+]C2)s1 ZINC000169726340 385418142 /nfs/dbraw/zinc/41/81/42/385418142.db2.gz XTXDAWGVLMAKLS-UHFFFAOYSA-N 1 0 201.320 1.158 50 0 BDAARO C[C@]([NH2+]C1CC1)(C(N)=O)C1CCCCC1 ZINC000037946672 385470359 /nfs/dbraw/zinc/47/03/59/385470359.db2.gz WIIOXIFCUPCABY-GFCCVEGCSA-N 1 0 210.321 1.563 50 0 BDAARO Cc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)on1 ZINC000229385347 385606734 /nfs/dbraw/zinc/60/67/34/385606734.db2.gz KLPOECFXQIGEOI-MNOVXSKESA-N 1 0 249.314 1.340 50 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Cn1cccc1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000585129884 386686507 /nfs/dbraw/zinc/68/65/07/386686507.db2.gz APTSWXIKAXDCJX-VXGBXAGGSA-N 1 0 249.358 1.484 50 0 BDAARO CO[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000088058872 386735553 /nfs/dbraw/zinc/73/55/53/386735553.db2.gz SLDHIJNCYFZXOV-DGCLKSJQSA-N 1 0 248.326 1.194 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000052998664 387038535 /nfs/dbraw/zinc/03/85/35/387038535.db2.gz BYASEMZZVLYBTN-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO CCc1cc(N[C@@H](C(N)=O)C(C)C)nc(C)n1 ZINC000227866910 387058128 /nfs/dbraw/zinc/05/81/28/387058128.db2.gz UHWBSMKGKNEJFP-LLVKDONJSA-N 1 0 236.319 1.269 50 0 BDAARO C[N@H+](Cc1ccncc1)C1(CO)CCOCC1 ZINC000191013752 387119033 /nfs/dbraw/zinc/11/90/33/387119033.db2.gz XCPADZURMPDPAN-UHFFFAOYSA-N 1 0 236.315 1.055 50 0 BDAARO CC(C)(C)OC(=O)N1CC([C@@H]2CCCC[NH2+]2)C1 ZINC000095913230 387154854 /nfs/dbraw/zinc/15/48/54/387154854.db2.gz CRKUYKGXHZMQDL-NSHDSACASA-N 1 0 240.347 1.995 50 0 BDAARO C[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000083592109 387155566 /nfs/dbraw/zinc/15/55/66/387155566.db2.gz JSURSCDQTBSUPP-ZETCQYMHSA-N 1 0 200.282 1.201 50 0 BDAARO Cc1cc(F)c(C(=O)N2CC[C@H]([NH3+])C2)cc1F ZINC000152250891 387255118 /nfs/dbraw/zinc/25/51/18/387255118.db2.gz SAROLALAUGDIPJ-QMMMGPOBSA-N 1 0 240.253 1.446 50 0 BDAARO COC[C@H](O)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248848333 387262526 /nfs/dbraw/zinc/26/25/26/387262526.db2.gz IRKIKPJXMCVJPI-UTUOFQBUSA-N 1 0 229.364 1.798 50 0 BDAARO [NH3+]CCOc1cccc(OCC(F)(F)F)c1 ZINC000575444444 387432701 /nfs/dbraw/zinc/43/27/01/387432701.db2.gz QWNVNLJOBJVQTN-UHFFFAOYSA-N 1 0 235.205 1.965 50 0 BDAARO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cccc(F)c1 ZINC000090850331 387455805 /nfs/dbraw/zinc/45/58/05/387455805.db2.gz OAYHVXMGEMTWRT-GXFFZTMASA-N 1 0 239.290 1.628 50 0 BDAARO C[N@@H+]1CCCN(c2ccc(C(C)(C)C)nn2)CC1 ZINC000575606567 387393600 /nfs/dbraw/zinc/39/36/00/387393600.db2.gz IWCUAJDORKCDEQ-UHFFFAOYSA-N 1 0 248.374 1.916 50 0 BDAARO 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COC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000070733739 388237571 /nfs/dbraw/zinc/23/75/71/388237571.db2.gz ARPXYYBQYZLVFS-IUCAKERBSA-N 1 0 230.333 1.109 50 0 BDAARO CCCc1cc(C(=O)NCC[N@H+](C)CC)[nH]n1 ZINC000065403860 388294112 /nfs/dbraw/zinc/29/41/12/388294112.db2.gz FXZJFRHJQGVFIZ-UHFFFAOYSA-N 1 0 238.335 1.044 50 0 BDAARO CCSCC[N@@H+]1CCC=C(CNC(C)=O)C1 ZINC000065396124 388276096 /nfs/dbraw/zinc/27/60/96/388276096.db2.gz IJOQQRRYDADQBF-UHFFFAOYSA-N 1 0 242.388 1.508 50 0 BDAARO Fc1ccc(CCNC2=[NH+]CCCN2)cc1 ZINC000252494985 388371402 /nfs/dbraw/zinc/37/14/02/388371402.db2.gz OJXJANZIYZFKNZ-UHFFFAOYSA-N 1 0 221.279 1.307 50 0 BDAARO CC[C@](C)(CCO)[NH2+]Cc1cccn1C ZINC000089942057 388374662 /nfs/dbraw/zinc/37/46/62/388374662.db2.gz CWVZAQPZSQGTRX-GFCCVEGCSA-N 1 0 210.321 1.666 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2cnc(C)s2)c1 ZINC000071872131 388447477 /nfs/dbraw/zinc/44/74/77/388447477.db2.gz DILSWOGGOHRCTR-UHFFFAOYSA-N 1 0 236.344 1.746 50 0 BDAARO CS[C@@H]1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC000195531511 388478516 /nfs/dbraw/zinc/47/85/16/388478516.db2.gz VVYCXIICIBWBDS-WDEREUQCSA-N 1 0 233.377 1.211 50 0 BDAARO COC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000069054037 388413002 /nfs/dbraw/zinc/41/30/02/388413002.db2.gz XPQVLDFQGLIDLT-QWRGUYRKSA-N 1 0 241.306 1.826 50 0 BDAARO CC(C)c1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000195544448 388479168 /nfs/dbraw/zinc/47/91/68/388479168.db2.gz MTULJTKDKNESNG-UHFFFAOYSA-N 1 0 242.344 1.047 50 0 BDAARO CC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069515180 388418746 /nfs/dbraw/zinc/41/87/46/388418746.db2.gz PUPWWIZRDLOWCK-VIFPVBQESA-N 1 0 242.344 1.347 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000069537247 388420000 /nfs/dbraw/zinc/42/00/00/388420000.db2.gz SQBSGIBONFQUHG-LBPRGKRZSA-N 1 0 240.347 1.110 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cnc(C)cn2)c1 ZINC000069534867 388420100 /nfs/dbraw/zinc/42/01/00/388420100.db2.gz PFPPONFDQBSOOV-LBPRGKRZSA-N 1 0 245.330 1.468 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000040522536 388420161 /nfs/dbraw/zinc/42/01/61/388420161.db2.gz BYWSGQIFCQSQOX-SEVUFMINSA-N 1 0 224.348 1.943 50 0 BDAARO Cc1ccc(F)c(C[N@@H+](C)C[C@H](C)O)c1 ZINC000130706584 388538874 /nfs/dbraw/zinc/53/88/74/388538874.db2.gz NDZWONANOCUKIM-JTQLQIEISA-N 1 0 211.280 1.947 50 0 BDAARO CCOc1cc(C(=O)N2CC[NH2+]CC2)ccc1C ZINC000236887487 388595245 /nfs/dbraw/zinc/59/52/45/388595245.db2.gz UMAYMROGKGIMPU-UHFFFAOYSA-N 1 0 248.326 1.439 50 0 BDAARO CCS[C@@H]1CCC[C@H]1[NH2+]CCC(=O)NC ZINC000233839885 388596048 /nfs/dbraw/zinc/59/60/48/388596048.db2.gz GSTKSZOSMKSBOY-NXEZZACHSA-N 1 0 230.377 1.386 50 0 BDAARO C[NH2+]CCc1ccc(-c2ccnn2C)cc1 ZINC000521398350 256862510 /nfs/dbraw/zinc/86/25/10/256862510.db2.gz YAMRUNLSRJMCFK-UHFFFAOYSA-N 1 0 215.300 1.849 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000055087352 388650260 /nfs/dbraw/zinc/65/02/60/388650260.db2.gz NSLQYSKWKOSMSS-QCNOEVLYSA-N 1 0 240.347 1.140 50 0 BDAARO Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]CC1CC1 ZINC000328628443 388739382 /nfs/dbraw/zinc/73/93/82/388739382.db2.gz HGTDFHOGOJHOBL-QWRGUYRKSA-N 1 0 221.304 1.250 50 0 BDAARO C[C@H](CNc1ccccn1)N1CC[NH+](C)CC1 ZINC000078988193 388742798 /nfs/dbraw/zinc/74/27/98/388742798.db2.gz PILLCBYAQKNNBK-GFCCVEGCSA-N 1 0 234.347 1.129 50 0 BDAARO COC(C[N@@H+]1CCOCC2(CCCC2)C1)OC ZINC000225453341 388701142 /nfs/dbraw/zinc/70/11/42/388701142.db2.gz AXJBIVWYICNEPA-UHFFFAOYSA-N 1 0 243.347 1.498 50 0 BDAARO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCNC2=O)C1 ZINC000249106795 388709122 /nfs/dbraw/zinc/70/91/22/388709122.db2.gz KDTSCLRFQHVKFR-UTUOFQBUSA-N 1 0 224.348 1.633 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000095956856 388793286 /nfs/dbraw/zinc/79/32/86/388793286.db2.gz JKQVZGZIQLUWFM-QMMMGPOBSA-N 1 0 236.315 1.975 50 0 BDAARO C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(N)=O ZINC000095984751 388799995 /nfs/dbraw/zinc/79/99/95/388799995.db2.gz GYJJGHOZDPXPON-QWRGUYRKSA-N 1 0 234.343 1.816 50 0 BDAARO CC(C)(C[NH2+]CCc1nnc[nH]1)c1ccccc1 ZINC000095460058 388775355 /nfs/dbraw/zinc/77/53/55/388775355.db2.gz GPJGKRAHEBUGOR-UHFFFAOYSA-N 1 0 244.342 1.915 50 0 BDAARO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccncc1 ZINC000095939956 388791710 /nfs/dbraw/zinc/79/17/10/388791710.db2.gz SSBNLQMZWCYRBZ-LLVKDONJSA-N 1 0 236.315 1.885 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cncs1 ZINC000097059003 388831236 /nfs/dbraw/zinc/83/12/36/388831236.db2.gz VINOAIUGGGKELU-GFCCVEGCSA-N 1 0 239.388 1.915 50 0 BDAARO CCN1C[C@H](C[NH2+]C)Oc2ccccc21 ZINC000003888918 132315893 /nfs/dbraw/zinc/31/58/93/132315893.db2.gz SRHOYMFCVAJPNQ-JTQLQIEISA-N 1 0 206.289 1.493 50 0 BDAARO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000082554153 132310397 /nfs/dbraw/zinc/31/03/97/132310397.db2.gz DLAKUFSGDQNXFA-SNVBAGLBSA-N 1 0 248.326 1.066 50 0 BDAARO Clc1cncc(Cl)c1N1CC[NH2+]CC1 ZINC000000127219 132312923 /nfs/dbraw/zinc/31/29/23/132312923.db2.gz GPCFTLKHUONISF-UHFFFAOYSA-N 1 0 232.114 1.798 50 0 BDAARO C[C@@H]1CC[C@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC000000213780 132313093 /nfs/dbraw/zinc/31/30/93/132313093.db2.gz GFQJDDJRQNGHJG-OLZOCXBDSA-N 1 0 246.358 1.787 50 0 BDAARO Fc1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000004242548 132316491 /nfs/dbraw/zinc/31/64/91/132316491.db2.gz IPILNCXNYGCVDJ-UHFFFAOYSA-N 1 0 214.671 1.889 50 0 BDAARO CCCc1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000007263079 132318589 /nfs/dbraw/zinc/31/85/89/132318589.db2.gz YHLFCBMBUPJHRF-UHFFFAOYSA-N 1 0 220.320 1.147 50 0 BDAARO Cc1cccc(N2CCN(CCC[NH3+])CC2)c1C ZINC000011805320 132320756 /nfs/dbraw/zinc/32/07/56/132320756.db2.gz YIYMSNMOTSGECP-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO Clc1cnc(N2CC[NH2+]CC2)c(Cl)c1 ZINC000019015156 132324065 /nfs/dbraw/zinc/32/40/65/132324065.db2.gz BOJIHPXIMSXHDU-UHFFFAOYSA-N 1 0 232.114 1.798 50 0 BDAARO C[C@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019392263 132324712 /nfs/dbraw/zinc/32/47/12/132324712.db2.gz RVMULKARZNWVBY-GFCCVEGCSA-N 1 0 219.332 1.156 50 0 BDAARO OC1(CN2CCCc3ccccc32)CC[NH2+]CC1 ZINC000019685498 132326305 /nfs/dbraw/zinc/32/63/05/132326305.db2.gz PSOTZQURECSCQW-UHFFFAOYSA-N 1 0 246.354 1.554 50 0 BDAARO C[C@@H]1CN(c2ccc(C[NH3+])cn2)C[C@H](C)O1 ZINC000022144018 132332462 /nfs/dbraw/zinc/33/24/62/132332462.db2.gz DKOOGSOFRGBDJP-AOOOYVTPSA-N 1 0 221.304 1.154 50 0 BDAARO Cc1cccc(N2CCN(CC[C@H](C)[NH3+])CC2)c1 ZINC000032627400 132335629 /nfs/dbraw/zinc/33/56/29/132335629.db2.gz GTWNGHGXDIZFTP-AWEZNQCLSA-N 1 0 247.386 1.854 50 0 BDAARO COC(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)cc1 ZINC000039952493 132346956 /nfs/dbraw/zinc/34/69/56/132346956.db2.gz NHABNVYVQXLSEG-JTQLQIEISA-N 1 0 234.299 1.271 50 0 BDAARO Cc1ccc(N2CCC3(CC[NH2+]CC3)CC2)nn1 ZINC000071747287 132395440 /nfs/dbraw/zinc/39/54/40/132395440.db2.gz DHZSYHONIMMCDV-UHFFFAOYSA-N 1 0 246.358 1.755 50 0 BDAARO Nc1cc[nH+]c(N2CCC(F)(F)CC2)c1 ZINC000071788756 132395683 /nfs/dbraw/zinc/39/56/83/132395683.db2.gz SUSAOJRLGBTZLP-UHFFFAOYSA-N 1 0 213.231 1.899 50 0 BDAARO O=C1CSc2ccccc2N1C[C@@H]1CC[NH2+]C1 ZINC000095388235 132429400 /nfs/dbraw/zinc/42/94/00/132429400.db2.gz XJEJDMAHHPSKOK-SNVBAGLBSA-N 1 0 248.351 1.735 50 0 BDAARO CC[C@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000334379340 135377672 /nfs/dbraw/zinc/37/76/72/135377672.db2.gz HLKNQACHJUXMSC-LBPRGKRZSA-N 1 0 221.300 1.521 50 0 BDAARO C[C@H](C(N)=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000227142908 397952119 /nfs/dbraw/zinc/95/21/19/397952119.db2.gz HIAJEVGYKSIRLP-MWLCHTKSSA-N 1 0 236.290 1.489 50 0 BDAARO CCc1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000019953896 397962769 /nfs/dbraw/zinc/96/27/69/397962769.db2.gz WBDLXDYTRSQAJW-UHFFFAOYSA-N 1 0 248.370 1.671 50 0 BDAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1(C)C ZINC000181840711 398042930 /nfs/dbraw/zinc/04/29/30/398042930.db2.gz FWICURKQOKOFBM-NXEZZACHSA-N 1 0 238.335 1.108 50 0 BDAARO CC/C=C(/C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000082486926 398067783 /nfs/dbraw/zinc/06/77/83/398067783.db2.gz RWKFFCXJNJDUTR-QJGQKNTRSA-N 1 0 224.348 1.849 50 0 BDAARO Cc1cc(Br)cnc1C[NH3+] ZINC000066322847 398090924 /nfs/dbraw/zinc/09/09/24/398090924.db2.gz TVNJSNPCLGHQHL-UHFFFAOYSA-N 1 0 201.067 1.611 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000188422764 398103899 /nfs/dbraw/zinc/10/38/99/398103899.db2.gz ABAZOAFEUWBPBT-KTRBRXNASA-N 1 0 244.338 1.829 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000070038111 398124257 /nfs/dbraw/zinc/12/42/57/398124257.db2.gz BZVMTGHIUOJVJE-MRVPVSSYSA-N 1 0 200.282 1.248 50 0 BDAARO CC(C)OCCC[NH2+]C1CCN(C)CC1 ZINC000002545025 167220791 /nfs/dbraw/zinc/22/07/91/167220791.db2.gz VFERUZKEIMQACS-UHFFFAOYSA-N 1 0 214.353 1.485 50 0 BDAARO COC(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC000065507044 409992927 /nfs/dbraw/zinc/99/29/27/409992927.db2.gz SOZBDCJOAVGCQV-UHFFFAOYSA-N 1 0 212.293 1.171 50 0 BDAARO CC[C@H](CO)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000097136878 410059259 /nfs/dbraw/zinc/05/92/59/410059259.db2.gz MBUSPRHNIMYAHO-WHOHXGKFSA-N 1 0 242.363 1.135 50 0 BDAARO CC(C)(C)OC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000001435870 166664593 /nfs/dbraw/zinc/66/45/93/166664593.db2.gz ARUMMNTYOXBYCC-UHFFFAOYSA-N 1 0 249.314 1.995 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([NH3+])C1 ZINC000036532967 166667177 /nfs/dbraw/zinc/66/71/77/166667177.db2.gz PGBVMVTUWHCOHX-JGVFFNPUSA-N 1 0 200.282 1.391 50 0 BDAARO CC(C)n1nnnc1C[NH2+][C@H]1CCCC1(C)C ZINC000170607219 167805500 /nfs/dbraw/zinc/80/55/00/167805500.db2.gz ZHIPOFQCTBDQSF-JTQLQIEISA-N 1 0 237.351 1.922 50 0 BDAARO CC1(C)C(c2ccccn2)[N+](=O)C(C)(C)N1O ZINC000000437246 167881943 /nfs/dbraw/zinc/88/19/43/167881943.db2.gz VXAAWSLWTMADMU-UHFFFAOYSA-N 1 0 235.287 1.601 50 0 BDAARO CC1(C)CC2(CC(C)(C)[NH2+]1)OC[C@H](CO)O2 ZINC000002504691 167889803 /nfs/dbraw/zinc/88/98/03/167889803.db2.gz MWQYHQBSFLBACS-VIFPVBQESA-N 1 0 229.320 1.031 50 0 BDAARO CC1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000003336676 168162906 /nfs/dbraw/zinc/16/29/06/168162906.db2.gz FKRKIBYHJIVKLS-UHFFFAOYSA-N 1 0 243.420 1.591 50 0 BDAARO CC1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000308824139 168174570 /nfs/dbraw/zinc/17/45/70/168174570.db2.gz HLHVVCXRWMKUHK-QMMMGPOBSA-N 1 0 220.263 1.227 50 0 BDAARO CC1CC[NH+](C[C@@H]2CCC(=O)N2C)CC1 ZINC000225522563 168182156 /nfs/dbraw/zinc/18/21/56/168182156.db2.gz IOVFTOCJZFIPLU-NSHDSACASA-N 1 0 210.321 1.339 50 0 BDAARO CCC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000012348950 168231990 /nfs/dbraw/zinc/23/19/90/168231990.db2.gz UOSBGTJOXSVASZ-SNVBAGLBSA-N 1 0 226.345 1.877 50 0 BDAARO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000052635160 411401574 /nfs/dbraw/zinc/40/15/74/411401574.db2.gz VNWBMBRMGGSPLD-NEPJUHHUSA-N 1 0 226.364 1.879 50 0 BDAARO CCN1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797617 170005229 /nfs/dbraw/zinc/00/52/29/170005229.db2.gz IHYHVOPKIDYLEC-STQMWFEESA-N 1 0 220.316 1.407 50 0 BDAARO CC[NH2+]CCOc1c(OC)cccc1OC ZINC000006728676 170116399 /nfs/dbraw/zinc/11/63/99/170116399.db2.gz BGPYYBGNEPKQLH-UHFFFAOYSA-N 1 0 225.288 1.692 50 0 BDAARO CC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000001841486 170126540 /nfs/dbraw/zinc/12/65/40/170126540.db2.gz FPAPZCJJNIDQMU-UHFFFAOYSA-N 1 0 202.257 1.638 50 0 BDAARO CC[NH2+]Cc1ccc(C(=O)N(C)C)cc1 ZINC000057218599 170126755 /nfs/dbraw/zinc/12/67/55/170126755.db2.gz GFVWUJZYQBKPTJ-UHFFFAOYSA-N 1 0 206.289 1.498 50 0 BDAARO CC[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000004843298 170130731 /nfs/dbraw/zinc/13/07/31/170130731.db2.gz GUOFJSISCZXFQC-UHFFFAOYSA-N 1 0 203.245 1.846 50 0 BDAARO CCO/C=C/C(=O)N(CC[NH+](C)C)C(C)C ZINC000328594901 170179699 /nfs/dbraw/zinc/17/96/99/170179699.db2.gz FUSSZAPVURIVPG-JXMROGBWSA-N 1 0 228.336 1.335 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000000140754 170231359 /nfs/dbraw/zinc/23/13/59/170231359.db2.gz UFUNPGDQFVGWDX-LLVKDONJSA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)NC1CC[NH+](CC)CC1 ZINC000004749899 170241063 /nfs/dbraw/zinc/24/10/63/170241063.db2.gz HMRHKULRAODIIC-UHFFFAOYSA-N 1 0 200.282 1.217 50 0 BDAARO CCOC(=O)N=c1[nH]c2c(s1)C[NH2+]CC2 ZINC000036233234 170243990 /nfs/dbraw/zinc/24/39/90/170243990.db2.gz CDMVCUJRGZWXEC-UHFFFAOYSA-N 1 0 227.289 1.357 50 0 BDAARO CCOC(=O)[C@@H](C)C[NH2+]Cc1ccccc1 ZINC000034088198 170245985 /nfs/dbraw/zinc/24/59/85/170245985.db2.gz CRLWGPSWMIFWRM-NSHDSACASA-N 1 0 221.300 1.975 50 0 BDAARO CCOC(=O)[C@@]1(N)CC[N@H+](Cc2ccccc2)C1 ZINC000035630188 170263154 /nfs/dbraw/zinc/26/31/54/170263154.db2.gz NAKFGHQPCHDUOT-CQSZACIVSA-N 1 0 248.326 1.153 50 0 BDAARO CCOC(=O)c1cccc(OC2CC[NH2+]CC2)c1 ZINC000038580812 170299138 /nfs/dbraw/zinc/29/91/38/170299138.db2.gz ICBKZZDSICXABJ-UHFFFAOYSA-N 1 0 249.310 1.994 50 0 BDAARO CCOC(=O)c1cnc2cccc[n+]2c1Cl ZINC000000114978 170302361 /nfs/dbraw/zinc/30/23/61/170302361.db2.gz YMMIZDJCVPWJSN-UHFFFAOYSA-N 1 0 237.666 1.650 50 0 BDAARO CCOC(CN1CCC[C@@H]1C(=O)OC)OCC ZINC000160303212 170315200 /nfs/dbraw/zinc/31/52/00/170315200.db2.gz DPQQCDVGAUZPIN-SNVBAGLBSA-N 1 0 245.319 1.023 50 0 BDAARO CCOC(C[N@@H+]1CCS[C@@H](C)C1)OCC ZINC000097094924 170316112 /nfs/dbraw/zinc/31/61/12/170316112.db2.gz KTPPETSWWDNALP-JTQLQIEISA-N 1 0 233.377 1.823 50 0 BDAARO CCOCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072270771 170398607 /nfs/dbraw/zinc/39/86/07/170398607.db2.gz UVFIPWWKVRCOLG-LLVKDONJSA-N 1 0 223.320 1.626 50 0 BDAARO Cc1cccc(Nc2nc(C)cc(NN)[nH+]2)c1 ZINC000044845881 411711386 /nfs/dbraw/zinc/71/13/86/411711386.db2.gz MGCYQNIMHFEIMS-UHFFFAOYSA-N 1 0 229.287 2.123 50 0 BDAARO CCOc1ccccc1OCC[NH2+]CCOC ZINC000002932137 170596650 /nfs/dbraw/zinc/59/66/50/170596650.db2.gz PZLLHGVENBAKLJ-UHFFFAOYSA-N 1 0 239.315 1.700 50 0 BDAARO CC[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000132688935 170913563 /nfs/dbraw/zinc/91/35/63/170913563.db2.gz MNZGELBQXQRQMZ-BDAKNGLRSA-N 1 0 228.336 1.186 50 0 BDAARO CC[C@@H]1Oc2cc([C@H](C)[NH3+])ccc2NC1=O ZINC000074942066 171152903 /nfs/dbraw/zinc/15/29/03/171152903.db2.gz VRQXDMHDNLLYPY-XVKPBYJWSA-N 1 0 220.272 1.816 50 0 BDAARO CC[C@H](C)[N@H+](C)CC(=O)Nc1nnc(C)s1 ZINC000069738257 171305057 /nfs/dbraw/zinc/30/50/57/171305057.db2.gz MVUDOKOCSYXFIE-ZETCQYMHSA-N 1 0 242.348 1.515 50 0 BDAARO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1c(C)n[nH]c1C ZINC000036736525 171372306 /nfs/dbraw/zinc/37/23/06/171372306.db2.gz IHYQDPXVEPWOIX-IMTBSYHQSA-N 1 0 224.308 1.338 50 0 BDAARO CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCCCC1 ZINC000011959245 171394643 /nfs/dbraw/zinc/39/46/43/171394643.db2.gz KFZSURZELUMBDI-ONGXEEELSA-N 1 0 212.337 1.809 50 0 BDAARO CCc1nccn1Cc1ccc(C[NH3+])cc1 ZINC000012399151 172026767 /nfs/dbraw/zinc/02/67/67/172026767.db2.gz GAEIWCJIKDCSSJ-UHFFFAOYSA-N 1 0 215.300 1.953 50 0 BDAARO CCn1ccnc1CN1CC[N@H+](C)C[C@@H]1C ZINC000069702792 172220341 /nfs/dbraw/zinc/22/03/41/172220341.db2.gz QYPCDYOKZCTECP-NSHDSACASA-N 1 0 222.336 1.039 50 0 BDAARO CCn1nc(C(F)(F)F)cc1COCC[NH3+] ZINC000012398986 172241731 /nfs/dbraw/zinc/24/17/31/172241731.db2.gz MDNDFLDNRIVVLJ-UHFFFAOYSA-N 1 0 237.225 1.397 50 0 BDAARO CN(C)C(=O)C[C@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000169676742 172375314 /nfs/dbraw/zinc/37/53/14/172375314.db2.gz APAIUJKPMWQLEO-LLVKDONJSA-N 1 0 240.347 1.014 50 0 BDAARO C[N@@H+]1CCC[C@H]1CCNC(=O)Nc1cccnc1 ZINC000299776802 173054199 /nfs/dbraw/zinc/05/41/99/173054199.db2.gz DDDJYXBGVWJDKY-LBPRGKRZSA-N 1 0 248.330 1.687 50 0 BDAARO CN(C[C@@]1(O)CCC[N@H+](C)C1)c1ccccc1 ZINC000041124028 173062871 /nfs/dbraw/zinc/06/28/71/173062871.db2.gz HPQPAGVJMAWUNH-CQSZACIVSA-N 1 0 234.343 1.580 50 0 BDAARO CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022455585 173081248 /nfs/dbraw/zinc/08/12/48/173081248.db2.gz DBGWPOIRMDKCHA-UHFFFAOYSA-N 1 0 204.317 1.477 50 0 BDAARO CN1CC[NH+](CCc2cccc(N)c2)CC1 ZINC000020192051 173082334 /nfs/dbraw/zinc/08/23/34/173082334.db2.gz BUKDRFCAGJUZMF-UHFFFAOYSA-N 1 0 219.332 1.059 50 0 BDAARO CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019536799 173085124 /nfs/dbraw/zinc/08/51/24/173085124.db2.gz YLWXBMKGZWALKM-UHFFFAOYSA-N 1 0 229.327 1.915 50 0 BDAARO CN1CCO[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000105035671 173102986 /nfs/dbraw/zinc/10/29/86/173102986.db2.gz JNMSFESNXSOUHX-KKTNHOPESA-N 1 0 246.354 1.620 50 0 BDAARO C[N@@H+]1CC[C@@H](OC(=O)c2ccccc2)C1 ZINC000071773754 173128595 /nfs/dbraw/zinc/12/85/95/173128595.db2.gz CRGMQKXGMWUBIG-LLVKDONJSA-N 1 0 205.257 1.548 50 0 BDAARO CN1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1=O ZINC000097212529 173154987 /nfs/dbraw/zinc/15/49/87/173154987.db2.gz LAZWSECFEGSKIR-OLZOCXBDSA-N 1 0 248.301 1.633 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000071908404 173274010 /nfs/dbraw/zinc/27/40/10/173274010.db2.gz UMBSILQZRHAKFN-LLVKDONJSA-N 1 0 212.337 1.491 50 0 BDAARO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048963147 173299059 /nfs/dbraw/zinc/29/90/59/173299059.db2.gz JIOSNSGURRVEHH-LBPRGKRZSA-N 1 0 218.300 1.397 50 0 BDAARO CNC(=O)[C@H]([NH2+]C)c1ccc(Cl)cc1 ZINC000034781293 173305201 /nfs/dbraw/zinc/30/52/01/173305201.db2.gz ODSUDGUYWWIADP-SECBINFHSA-N 1 0 212.680 1.347 50 0 BDAARO C[NH2+]C/C=C/COc1cccc(OC)c1 ZINC000016624327 173320691 /nfs/dbraw/zinc/32/06/91/173320691.db2.gz FSDWIYONRVKZQZ-ONEGZZNKSA-N 1 0 207.273 1.850 50 0 BDAARO C[NH2+]C1(c2nnnn2-c2ccccc2)CCCC1 ZINC000020198698 173321757 /nfs/dbraw/zinc/32/17/57/173321757.db2.gz FYRWFWJUXOSJIJ-UHFFFAOYSA-N 1 0 243.314 1.651 50 0 BDAARO C[NH2+]CC(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000237193409 173327519 /nfs/dbraw/zinc/32/75/19/173327519.db2.gz MLONGLNCSHUHNL-WCQYABFASA-N 1 0 248.326 1.194 50 0 BDAARO C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000040456456 173338575 /nfs/dbraw/zinc/33/85/75/173338575.db2.gz LNDGYTKISRFVOI-UHFFFAOYSA-N 1 0 200.282 1.073 50 0 BDAARO C[NH2+]CCCNC(=O)c1ccc(C(C)=O)cc1 ZINC000120939106 173348951 /nfs/dbraw/zinc/34/89/51/173348951.db2.gz JAMMDTCHICFXDH-UHFFFAOYSA-N 1 0 234.299 1.229 50 0 BDAARO C[NH2+]CCN(C)C(=O)c1cscc1C ZINC000086815131 173353075 /nfs/dbraw/zinc/35/30/75/173353075.db2.gz KATSFGOXQODBHK-UHFFFAOYSA-N 1 0 212.318 1.348 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000011593852 173368655 /nfs/dbraw/zinc/36/86/55/173368655.db2.gz NHOPGDPSLMBDQD-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000071142748 173369396 /nfs/dbraw/zinc/36/93/96/173369396.db2.gz DXIMJIINXDBMOW-LBPRGKRZSA-N 1 0 248.326 1.133 50 0 BDAARO C[NH2+]C[C@H](O)Cn1c(C)c(C)c2ccccc21 ZINC000000818932 173376555 /nfs/dbraw/zinc/37/65/55/173376555.db2.gz LRDKPZRTNVRHLP-LBPRGKRZSA-N 1 0 232.327 1.838 50 0 BDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC000237311682 173379152 /nfs/dbraw/zinc/37/91/52/173379152.db2.gz BLGOWYKUFKUWEN-LLVKDONJSA-N 1 0 235.331 1.395 50 0 BDAARO C[NH2+]Cc1nncn1-c1ccc(Cl)cc1 ZINC000061957978 173398743 /nfs/dbraw/zinc/39/87/43/173398743.db2.gz FXUIMRMOJTYABA-UHFFFAOYSA-N 1 0 222.679 1.640 50 0 BDAARO COCCCCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000095440463 174170423 /nfs/dbraw/zinc/17/04/23/174170423.db2.gz NFQLFRGXBWBSPX-TXEJJXNPSA-N 1 0 242.363 1.354 50 0 BDAARO COCC[NH2+]CCOc1ccc(F)cc1 ZINC000002930929 174333187 /nfs/dbraw/zinc/33/31/87/174333187.db2.gz RVADSAJOBJVECG-UHFFFAOYSA-N 1 0 213.252 1.441 50 0 BDAARO COCC[NH2+]Cc1cc(C)ccc1OC ZINC000007736192 174334646 /nfs/dbraw/zinc/33/46/46/174334646.db2.gz OLKUEGDYNXHUEP-UHFFFAOYSA-N 1 0 209.289 1.740 50 0 BDAARO COCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000019881426 174340012 /nfs/dbraw/zinc/34/00/12/174340012.db2.gz MXLZQVIPKPZWMR-SNVBAGLBSA-N 1 0 209.289 1.992 50 0 BDAARO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cc[nH]n2)C1(C)C ZINC000095463495 174785146 /nfs/dbraw/zinc/78/51/46/174785146.db2.gz ZZDPUBQGSLYFJB-DVVUODLYSA-N 1 0 223.320 1.559 50 0 BDAARO COc1cc(C[NH2+]C2CC2)ccc1OCCO ZINC000013730892 174982867 /nfs/dbraw/zinc/98/28/67/174982867.db2.gz MOXWJLLRZGUANY-UHFFFAOYSA-N 1 0 237.299 1.318 50 0 BDAARO COc1cc(OC)cc(N2CC[C@@H]([NH3+])C2)c1 ZINC000037240680 175010171 /nfs/dbraw/zinc/01/01/71/175010171.db2.gz SFWHADOYILCZHM-SECBINFHSA-N 1 0 222.288 1.241 50 0 BDAARO COc1cc(OCC[NH+](C)C)ccc1N ZINC000082523837 175012583 /nfs/dbraw/zinc/01/25/83/175012583.db2.gz ZVONEWZCSGCSMV-UHFFFAOYSA-N 1 0 210.277 1.218 50 0 BDAARO COc1cc([C@@H](C)[NH3+])ccc1OCCO ZINC000019966586 175012834 /nfs/dbraw/zinc/01/28/34/175012834.db2.gz QSNUDGAAHBRPNA-MRVPVSSYSA-N 1 0 211.261 1.086 50 0 BDAARO COc1ccc(C(=O)O[C@@H](C)C[NH+](C)C)cc1 ZINC000000215699 175065633 /nfs/dbraw/zinc/06/56/33/175065633.db2.gz JINHIODLNSNPKR-JTQLQIEISA-N 1 0 237.299 1.802 50 0 biogenic BDAARO COc1ccc(C(=S)N2CC[NH2+]CC2)cc1 ZINC000004318422 175067221 /nfs/dbraw/zinc/06/72/21/175067221.db2.gz FPEZNMUNQZAXNM-UHFFFAOYSA-N 1 0 236.340 1.276 50 0 BDAARO COc1ccc(C[N@H+](C)CCO)cc1OC ZINC000005027852 175095898 /nfs/dbraw/zinc/09/58/98/175095898.db2.gz RWZAEERCNRAKQU-UHFFFAOYSA-N 1 0 225.288 1.128 50 0 BDAARO COc1ccc(CN2C[C@@H]3[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000238855629 175103316 /nfs/dbraw/zinc/10/33/16/175103316.db2.gz SGOHAKLJRYWYME-ITGUQSILSA-N 1 0 218.300 1.084 50 0 BDAARO COc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000019413477 175104623 /nfs/dbraw/zinc/10/46/23/175104623.db2.gz HOVJBWJBLXEKEJ-LBPRGKRZSA-N 1 0 248.326 1.311 50 0 BDAARO COc1ccc(C[NH2+]C(C)(C)CO)cc1OC ZINC000004821031 175105627 /nfs/dbraw/zinc/10/56/27/175105627.db2.gz FGQCBLIJTQNHCO-UHFFFAOYSA-N 1 0 239.315 1.564 50 0 BDAARO COc1ccc(C[NH2+]Cc2cccn2C)cn1 ZINC000020520779 175108832 /nfs/dbraw/zinc/10/88/32/175108832.db2.gz KBXMCAACGYJTMJ-UHFFFAOYSA-N 1 0 231.299 1.719 50 0 BDAARO COc1ccc(Cl)cc1C[NH2+]CCO ZINC000006730021 175120367 /nfs/dbraw/zinc/12/03/67/175120367.db2.gz WFBPGLSXQNIWQZ-UHFFFAOYSA-N 1 0 215.680 1.431 50 0 BDAARO COc1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000006658212 175151531 /nfs/dbraw/zinc/15/15/31/175151531.db2.gz LQCLFIWEFVWKAG-LLVKDONJSA-N 1 0 206.289 1.859 50 0 BDAARO COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH3+])c1 ZINC000000057407 175168212 /nfs/dbraw/zinc/16/82/12/175168212.db2.gz WJAJPNHVVFWKKL-HQJQHLMTSA-N 1 0 211.261 1.084 50 0 world BDAARO COc1ccc(OCCCC[NH2+]CCO)cc1 ZINC000002902979 175172912 /nfs/dbraw/zinc/17/29/12/175172912.db2.gz FWUWQZDYLGUXPM-UHFFFAOYSA-N 1 0 239.315 1.436 50 0 BDAARO COc1ccc2c(c1)C(=O)C[C@]1(CC[NH2+]C1)O2 ZINC000036141059 175207159 /nfs/dbraw/zinc/20/71/59/175207159.db2.gz JVEYMIOXPRHDCX-ZDUSSCGKSA-N 1 0 233.267 1.393 50 0 BDAARO COc1ccc2c(ccn2CCC[NH3+])c1 ZINC000026461955 175222635 /nfs/dbraw/zinc/22/26/35/175222635.db2.gz JSSJIRBSIAJMNL-UHFFFAOYSA-N 1 0 204.273 1.999 50 0 BDAARO COc1cccc(C=O)c1OCC[NH+](C)C ZINC000006681931 175249139 /nfs/dbraw/zinc/24/91/39/175249139.db2.gz RSBAQYRFUAYLDM-UHFFFAOYSA-N 1 0 223.272 1.448 50 0 BDAARO COc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000019536649 175259055 /nfs/dbraw/zinc/25/90/55/175259055.db2.gz VZRVGYGKOWCUPU-UHFFFAOYSA-N 1 0 220.316 1.443 50 0 BDAARO COc1cccc(COC2CC[NH2+]CC2)c1 ZINC000034068146 175269702 /nfs/dbraw/zinc/26/97/02/175269702.db2.gz KGJJOJBLSHYPNW-UHFFFAOYSA-N 1 0 221.300 1.964 50 0 BDAARO COc1cccc(C[C@]2(CO)CCC[NH2+]C2)c1 ZINC000020444486 175272467 /nfs/dbraw/zinc/27/24/67/175272467.db2.gz QJJARMBDPBKROI-CQSZACIVSA-N 1 0 235.327 1.600 50 0 BDAARO COc1ccccc1[C@@H](C)N1CC[NH2+]CC1 ZINC000020264303 175345110 /nfs/dbraw/zinc/34/51/10/175345110.db2.gz SCYBWJSKOWKSRR-LLVKDONJSA-N 1 0 220.316 1.661 50 0 BDAARO CSCCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158409711 175475359 /nfs/dbraw/zinc/47/53/59/175475359.db2.gz SBDCJJIEUXUSBN-NXEZZACHSA-N 1 0 230.377 1.373 50 0 BDAARO CSCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000069013784 175484988 /nfs/dbraw/zinc/48/49/88/175484988.db2.gz CJJCKALYJZLYQG-MRVPVSSYSA-N 1 0 218.366 1.229 50 0 BDAARO C[C@@H](CNN[C@@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773090 175773422 /nfs/dbraw/zinc/77/34/22/175773422.db2.gz AMWQKRZOKPAZHA-KBPBESRZSA-N 1 0 249.402 1.910 50 0 BDAARO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC000004837767 175923303 /nfs/dbraw/zinc/92/33/03/175923303.db2.gz OTIMFDDQWBRHNR-KOLCDFICSA-N 1 0 232.283 1.095 50 0 BDAARO C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH3+])C1=O ZINC000049649258 176015091 /nfs/dbraw/zinc/01/50/91/176015091.db2.gz DABKZTKKXDLJCG-KWQFWETISA-N 1 0 222.263 1.446 50 0 BDAARO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000032668113 176078977 /nfs/dbraw/zinc/07/89/77/176078977.db2.gz ALDKSOPRCFWEIR-NEPJUHHUSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[NH2+]2)C1 ZINC000092742877 176093659 /nfs/dbraw/zinc/09/36/59/176093659.db2.gz LXTDAXNZJDWCHV-VXGBXAGGSA-N 1 0 240.347 1.997 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccco2)[C@H]1C[NH3+] ZINC000069726425 176095293 /nfs/dbraw/zinc/09/52/93/176095293.db2.gz PHJWMOISXVOMAE-ZJUUUORDSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccn1C ZINC000093739041 176205782 /nfs/dbraw/zinc/20/57/82/176205782.db2.gz FOXILAUISDUQKS-VXGBXAGGSA-N 1 0 222.332 1.618 50 0 BDAARO C[C@@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)c1cccnc1 ZINC000252656644 176257029 /nfs/dbraw/zinc/25/70/29/176257029.db2.gz KNJLQMMFNWMUBW-IJLUTSLNSA-N 1 0 247.342 1.394 50 0 BDAARO C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000088732432 176262190 /nfs/dbraw/zinc/26/21/90/176262190.db2.gz CYEGQMSSJSSRKF-SNVBAGLBSA-N 1 0 243.310 1.602 50 0 BDAARO C[C@@H]1CN(C)c2ccccc2N(C(=O)C[NH3+])C1 ZINC000237499816 176280308 /nfs/dbraw/zinc/28/03/08/176280308.db2.gz RDLLMTDVQMOOKW-SNVBAGLBSA-N 1 0 233.315 1.064 50 0 BDAARO 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COC(=O)N1CC[NH+](C[C@H]2C[C@H]2C2CC2)CC1 ZINC000888096029 635367489 /nfs/dbraw/zinc/36/74/89/635367489.db2.gz HQWDURVFTIHMEY-NEPJUHHUSA-N 1 0 238.331 1.417 50 0 BDAARO C[C@H]1[NH2+]CCN(C(=O)c2cccc(CO)c2)[C@H]1C ZINC000888096554 635370596 /nfs/dbraw/zinc/37/05/96/635370596.db2.gz IWZBDHDDOQCYBB-MNOVXSKESA-N 1 0 248.326 1.001 50 0 BDAARO CC[C@@H]1CCC[N@@H+]([C@H]2COCC[C@H]2O)C1 ZINC000252370410 636788527 /nfs/dbraw/zinc/78/85/27/636788527.db2.gz XVICTMDAKGGWOA-GRYCIOLGSA-N 1 0 213.321 1.258 50 0 BDAARO Cc1cnccc1-c1ccc(C2(O)C[NH2+]C2)cc1 ZINC000935616959 641447919 /nfs/dbraw/zinc/44/79/19/641447919.db2.gz HBNQRUSUCJJZJW-UHFFFAOYSA-N 1 0 240.306 1.848 50 0 BDAARO Cc1nc[nH]c1C[N@@H+]1CCCC[C@H]1CO ZINC000000216790 642758904 /nfs/dbraw/zinc/75/89/04/642758904.db2.gz LERVZUSDXAZSNS-JTQLQIEISA-N 1 0 209.293 1.065 50 0 BDAARO [NH3+][C@H]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000072158647 643217636 /nfs/dbraw/zinc/21/76/36/643217636.db2.gz NDFDCELFUUXPPK-NSHDSACASA-N 1 0 242.326 1.947 50 0 BDAARO CC[C@@H](Cn1ccnc1)[NH2+]CCCn1cccn1 ZINC000952962160 644445342 /nfs/dbraw/zinc/44/53/42/644445342.db2.gz BZCQAFVTGNORQV-ZDUSSCGKSA-N 1 0 247.346 1.538 50 0 BDAARO CC(C)(C)[C@@H]([NH3+])C1(O)CCSCC1 ZINC000958527814 644806200 /nfs/dbraw/zinc/80/62/00/644806200.db2.gz FCPJAHZMSLJOSP-MRVPVSSYSA-N 1 0 203.351 1.618 50 0 BDAARO CC(C)(C)C[C@H]([NH3+])[C@@]1(O)CCSC1 ZINC000958528964 644808213 /nfs/dbraw/zinc/80/82/13/644808213.db2.gz ZYEHJDCDVYNDMT-WCBMZHEXSA-N 1 0 203.351 1.618 50 0 BDAARO O=CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000000761381 712088037 /nfs/dbraw/zinc/08/80/37/712088037.db2.gz DLSSUDRSKMFPNR-LBPRGKRZSA-N 1 0 208.305 1.117 50 0 BDAARO CC[C@@H]1CCC(=O)C[C@H]1[NH+]1CCOCC1 ZINC000725363208 711664371 /nfs/dbraw/zinc/66/43/71/711664371.db2.gz ZICJAIVIOZVCNY-ZYHUDNBSSA-N 1 0 211.305 1.466 50 0 BDAARO COc1cc([N+](=O)[O-])cc2c(CC[NH3+])c[nH]c21 ZINC000034132419 711951020 /nfs/dbraw/zinc/95/10/20/711951020.db2.gz GRDFVNHLZCEGOR-UHFFFAOYSA-N 1 0 235.243 1.586 50 0 BDAARO [NH3+][C@H](CCS)C(=O)Nc1ccccc1 ZINC000034132695 711951326 /nfs/dbraw/zinc/95/13/26/711951326.db2.gz FPUZSQVFPXJSLJ-SECBINFHSA-N 1 0 210.302 1.272 50 0 BDAARO COC(=O)c1cc(C[NH3+])n2c1CCCC2 ZINC000708087381 712181279 /nfs/dbraw/zinc/18/12/79/712181279.db2.gz BHFHEIYSUOOREI-UHFFFAOYSA-N 1 0 208.261 1.070 50 0 BDAARO CC(C)OCCCNc1cc[nH+]c(CO)c1 ZINC000585092890 972130246 /nfs/dbraw/zinc/13/02/46/972130246.db2.gz SJTNSLQRKBAGMC-UHFFFAOYSA-N 1 0 224.304 1.801 50 0 BDAARO Cn1c2ccccc2nc1O[C@@H]1CC[N@H+](C)C1 ZINC000585651926 961150551 /nfs/dbraw/zinc/15/05/51/961150551.db2.gz RNEVZFZNRHAAAG-SNVBAGLBSA-N 1 0 231.299 1.656 50 0 BDAARO COc1ccc([C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000082940581 964820322 /nfs/dbraw/zinc/82/03/22/964820322.db2.gz NQXYVDTXOJUWOR-NWDGAFQWSA-N 1 0 207.273 1.133 50 0 BDAARO Cc1cnc(C)nc1N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000823727364 968559545 /nfs/dbraw/zinc/55/95/45/968559545.db2.gz NFXCXPZVHSXFIY-VXGBXAGGSA-N 1 0 234.347 1.988 50 0 BDAARO C[C@H](CN(C)CCO)[NH2+]C1(C2CCCC2)CC1 ZINC000828757290 968810777 /nfs/dbraw/zinc/81/07/77/968810777.db2.gz ISESPUJIYIAWOI-GFCCVEGCSA-N 1 0 240.391 1.611 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2cnc3ccccc3n2)C1 ZINC000585652776 973917528 /nfs/dbraw/zinc/91/75/28/973917528.db2.gz WCRKFJKWTQQSRQ-JTQLQIEISA-N 1 0 229.283 1.713 50 0 BDAARO Cc1ccc(OC[C@@H]2CCCC[N@H+]2C)nn1 ZINC000585650920 973919501 /nfs/dbraw/zinc/91/95/01/973919501.db2.gz HWTBZGJUMLFADP-NSHDSACASA-N 1 0 221.304 1.648 50 0 BDAARO Cc1nnc(OC[C@@H]2CCCC[N@H+]2C)s1 ZINC000585651906 973919750 /nfs/dbraw/zinc/91/97/50/973919750.db2.gz ITCIPMYKHZAMDK-VIFPVBQESA-N 1 0 227.333 1.710 50 0 BDAARO Cc1nccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])n1 ZINC000585652178 973920003 /nfs/dbraw/zinc/92/00/03/973920003.db2.gz LVUWDSXOPZFKSH-GXTWGEPZSA-N 1 0 241.294 1.789 50 0 BDAARO C=CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000952888355 974065270 /nfs/dbraw/zinc/06/52/70/974065270.db2.gz VXAIHIPQUQLGFM-WDEREUQCSA-N 1 0 210.321 1.504 50 0 BDAARO C[C@H]1C[C@H]([NH2+]Cc2cnsc2)CCO1 ZINC000687225795 985276012 /nfs/dbraw/zinc/27/60/12/985276012.db2.gz WZGAXPUOLGUNQU-WCBMZHEXSA-N 1 0 212.318 1.800 50 0 BDAARO O[C@@H]1C[N@@H+](C2CCCC2)C[C@H]1Cc1cnccn1 ZINC001529172831 990336495 /nfs/dbraw/zinc/33/64/95/990336495.db2.gz JBZDFSWJWFSVQB-BXUZGUMPSA-N 1 0 247.342 1.254 50 0 BDAARO CCCCn1ncc(C)c1NC(=O)[C@@H]1C=CC[NH2+]1 ZINC001529179168 990337063 /nfs/dbraw/zinc/33/70/63/990337063.db2.gz VVWRJIYAKBEGOQ-NSHDSACASA-N 1 0 248.330 1.458 50 0 BDAARO CCC(CC)([NH2+]C[C@H]1CC=CCC1)C(N)=O ZINC000195577893 168331177 /nfs/dbraw/zinc/33/11/77/168331177.db2.gz AUFFEBOZIQRZEH-NSHDSACASA-N 1 0 224.348 1.976 50 0 BDAARO Cc1cc(NCc2cccnc2)nc(N)[nH+]1 ZINC000000073355 178174452 /nfs/dbraw/zinc/17/44/52/178174452.db2.gz DSSCXCDTPABWJX-UHFFFAOYSA-N 1 0 215.260 1.374 50 0 BDAARO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(N)c12 ZINC000006660303 398223610 /nfs/dbraw/zinc/22/36/10/398223610.db2.gz VFORCWNNHXECFM-UHFFFAOYSA-N 1 0 247.346 1.582 50 0 BDAARO CSC1(CNC2=[NH+]CCCCN2)CCC1 ZINC000521396925 259303907 /nfs/dbraw/zinc/30/39/07/259303907.db2.gz GZXRTXICCPRGGV-UHFFFAOYSA-N 1 0 227.377 1.601 50 0 BDAARO Cn1ncc2c1CCC[C@H]2[NH2+]C1CCN(C)CC1 ZINC000037266975 361801390 /nfs/dbraw/zinc/80/13/90/361801390.db2.gz AGYNSBXPRDXEHX-CYBMUJFWSA-N 1 0 248.374 1.481 50 0 BDAARO CC[C@@H](O)C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000097112612 398237165 /nfs/dbraw/zinc/23/71/65/398237165.db2.gz ALQNMMYHBBMSAF-WZRBSPASSA-N 1 0 235.327 1.912 50 0 BDAARO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)ccn1 ZINC000097108707 398238100 /nfs/dbraw/zinc/23/81/00/398238100.db2.gz RZJIXBLIOHEUQF-JQWIXIFHSA-N 1 0 236.315 1.747 50 0 BDAARO Clc1cccc(CN2CC[NH2+]CC2)c1 ZINC000019230053 259308293 /nfs/dbraw/zinc/30/82/93/259308293.db2.gz JTEQMTYOCBFLNH-UHFFFAOYSA-N 1 0 210.708 1.745 50 0 BDAARO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])n1C ZINC000063193701 178386946 /nfs/dbraw/zinc/38/69/46/178386946.db2.gz RVNDHKMVJYHJTP-NEPJUHHUSA-N 1 0 249.358 1.675 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C)c(C)c1 ZINC000054370392 178391673 /nfs/dbraw/zinc/39/16/73/178391673.db2.gz VHNBPSRDGBXFNC-LBPRGKRZSA-N 1 0 232.327 1.737 50 0 BDAARO C[N@H+](CCc1ccccc1)CC(=O)N1CCCC1 ZINC000053150305 398270051 /nfs/dbraw/zinc/27/00/51/398270051.db2.gz ADTKWFDZOXGLHS-UHFFFAOYSA-N 1 0 246.354 1.783 50 0 BDAARO Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000070075986 178399924 /nfs/dbraw/zinc/39/99/24/178399924.db2.gz NPGIXBYVPUPUHW-QWRGUYRKSA-N 1 0 233.315 1.212 50 0 BDAARO c1cn([C@@H]2CCC[C@@H]2[NH2+]C2CCOCC2)cn1 ZINC000037106387 538961765 /nfs/dbraw/zinc/96/17/65/538961765.db2.gz XQLSHRWPTKXEHA-QWHCGFSZSA-N 1 0 235.331 1.745 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000004202418 342743599 /nfs/dbraw/zinc/74/35/99/342743599.db2.gz DIRUVVRMWMDZAE-VIFPVBQESA-N 1 0 214.309 1.653 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000004202981 342743937 /nfs/dbraw/zinc/74/39/37/342743937.db2.gz AKVIZYGPJIWKOS-RKDXNWHRSA-N 1 0 214.309 1.781 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH3+] ZINC000004202586 342744125 /nfs/dbraw/zinc/74/41/25/342744125.db2.gz SOGXYCNKQQJEED-QMMMGPOBSA-N 1 0 200.282 1.345 50 0 BDAARO [NH3+][C@@H](CO)c1cc(Cl)cc(Cl)c1 ZINC000004284376 342745978 /nfs/dbraw/zinc/74/59/78/342745978.db2.gz LRORZXIRKBZZAG-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO CC[C@H](OC[C@H](O)C[NH3+])c1ccccc1 ZINC000002454836 342720694 /nfs/dbraw/zinc/72/06/94/342720694.db2.gz DVMKGKGMWDJEAY-NEPJUHHUSA-N 1 0 209.289 1.474 50 0 BDAARO CCOc1ccc(C[NH2+]CCOC)cc1 ZINC000002555535 342723804 /nfs/dbraw/zinc/72/38/04/342723804.db2.gz HMFUEAILNGLZHU-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO [NH3+]Cc1ccccc1I ZINC000002563300 342724289 /nfs/dbraw/zinc/72/42/89/342724289.db2.gz RHQNNLRITZIWGM-UHFFFAOYSA-N 1 0 233.052 1.750 50 0 BDAARO COC(=O)c1ccccc1OCCC[NH+](C)C ZINC000002822326 342727304 /nfs/dbraw/zinc/72/73/04/342727304.db2.gz RZUXRDICAGZMSM-UHFFFAOYSA-N 1 0 237.299 1.804 50 0 BDAARO Cc1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000004785025 342752071 /nfs/dbraw/zinc/75/20/71/342752071.db2.gz RCHBRQWCEZIWHS-UHFFFAOYSA-N 1 0 220.316 1.215 50 0 BDAARO Cc1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000005126691 342758652 /nfs/dbraw/zinc/75/86/52/342758652.db2.gz ULJXLBQGZILJIY-UHFFFAOYSA-N 1 0 232.327 1.611 50 0 BDAARO CC(=O)[C@@H](C(=O)Nc1ccccc1)[C@H](C)[NH+](C)C ZINC000006929639 342786308 /nfs/dbraw/zinc/78/63/08/342786308.db2.gz DIQROJVJEOVKAC-GWCFXTLKSA-N 1 0 248.326 1.780 50 0 BDAARO Clc1cccc2c1CCN1CC[NH2+]C[C@@H]21 ZINC000019788477 342789264 /nfs/dbraw/zinc/78/92/64/342789264.db2.gz PCJHIOJAJRVRMN-LBPRGKRZSA-N 1 0 222.719 1.842 50 0 BDAARO Cc1ccc(N2C[C@@H](C[NH3+])OC2=O)cc1 ZINC000019669043 342789267 /nfs/dbraw/zinc/78/92/67/342789267.db2.gz XVUWQPJEQJZHGA-SNVBAGLBSA-N 1 0 206.245 1.279 50 0 BDAARO [NH3+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000083777319 398285450 /nfs/dbraw/zinc/28/54/50/398285450.db2.gz AKWFXFCXGOXDND-OLZOCXBDSA-N 1 0 223.291 1.858 50 0 BDAARO CCC(CC)[NH2+][C@@H]1C=CS(=O)(=O)C1 ZINC000065394380 168390936 /nfs/dbraw/zinc/39/09/36/168390936.db2.gz ZWULDANSRDNCFL-SECBINFHSA-N 1 0 203.307 1.075 50 0 BDAARO CCOc1cc(C[NH2+]CCOC)ccc1OC ZINC000008254350 342797338 /nfs/dbraw/zinc/79/73/38/342797338.db2.gz AQMKASMWCHHWBJ-UHFFFAOYSA-N 1 0 239.315 1.830 50 0 BDAARO CCOc1cc(C=O)ccc1OCC[NH+](C)C ZINC000009237704 342810945 /nfs/dbraw/zinc/81/09/45/342810945.db2.gz DXVVPLONEXQGLR-UHFFFAOYSA-N 1 0 237.299 1.838 50 0 BDAARO O=C(NC1CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000042933538 538979459 /nfs/dbraw/zinc/97/94/59/538979459.db2.gz SUTCJKRANWBZDX-UHFFFAOYSA-N 1 0 237.347 1.419 50 0 BDAARO [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 ZINC000011754551 342843031 /nfs/dbraw/zinc/84/30/31/342843031.db2.gz OPAAJZHHPZVQGC-LBPRGKRZSA-N 1 0 243.310 1.316 50 0 BDAARO CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cn1 ZINC000123266197 398297142 /nfs/dbraw/zinc/29/71/42/398297142.db2.gz QYLDHSYGUSJOCF-UHFFFAOYSA-N 1 0 240.282 1.246 50 0 BDAARO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCCC1 ZINC000012505328 342852695 /nfs/dbraw/zinc/85/26/95/342852695.db2.gz QCVANXRMOVLNQK-CYBMUJFWSA-N 1 0 230.311 1.323 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1cccc(C)c1C ZINC000013943607 342874433 /nfs/dbraw/zinc/87/44/33/342874433.db2.gz IHDUVJKGWOQEDO-NSHDSACASA-N 1 0 207.273 1.866 50 0 BDAARO CC[C@](C)([NH3+])c1nnnn1-c1cccc(C)c1 ZINC000004565501 342894087 /nfs/dbraw/zinc/89/40/87/342894087.db2.gz VDWDIBFBKRYERO-LBPRGKRZSA-N 1 0 231.303 1.555 50 0 BDAARO C[N@H+](CC1CCC1)C1(C(N)=O)CCCC1 ZINC000093213218 398313950 /nfs/dbraw/zinc/31/39/50/398313950.db2.gz RQHSGKQFLJFKHW-UHFFFAOYSA-N 1 0 210.321 1.516 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000015015149 342890632 /nfs/dbraw/zinc/89/06/32/342890632.db2.gz AHZSYFBVHQBLNO-CYBMUJFWSA-N 1 0 240.306 1.899 50 0 BDAARO [NH3+][C@H]1COc2ccc(Br)cc2C1 ZINC000016083026 342906038 /nfs/dbraw/zinc/90/60/38/342906038.db2.gz BUFGYKCIZBYJSH-MRVPVSSYSA-N 1 0 228.089 1.711 50 0 BDAARO CN(C/C=C/c1ccc(F)cc1)CC(N)=O ZINC000095982462 398344957 /nfs/dbraw/zinc/34/49/57/398344957.db2.gz UWWLLNNOKOFTOA-NSCUHMNNSA-N 1 0 222.263 1.256 50 0 BDAARO Fc1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000019334697 342945799 /nfs/dbraw/zinc/94/57/99/342945799.db2.gz RBDOLGPRWKKECN-UHFFFAOYSA-N 1 0 238.306 1.248 50 0 BDAARO Cc1cc(C)n(Cc2ccc(C(N)=[NH2+])cc2)n1 ZINC000019429619 342948607 /nfs/dbraw/zinc/94/86/07/342948607.db2.gz DLTVPQPBPBWRCY-UHFFFAOYSA-N 1 0 228.299 1.832 50 0 BDAARO [NH3+][C@@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000019507135 342949846 /nfs/dbraw/zinc/94/98/46/342949846.db2.gz SAEIUCCJXSRABA-GFCCVEGCSA-N 1 0 230.267 1.596 50 0 BDAARO Cc1ccc(OCCN2CC[NH2+]CC2)cc1C ZINC000019620924 342952263 /nfs/dbraw/zinc/95/22/63/342952263.db2.gz ICWHGXZRDRCHFG-UHFFFAOYSA-N 1 0 234.343 1.587 50 0 BDAARO O=C(CCc1ccccc1)N1CC[NH2+]CC1 ZINC000019679892 342953633 /nfs/dbraw/zinc/95/36/33/342953633.db2.gz VBXKDEVTVQJYTD-UHFFFAOYSA-N 1 0 218.300 1.051 50 0 BDAARO CN(C)c1nccc([C@@H]2CCCC[NH2+]2)n1 ZINC000019686330 342953637 /nfs/dbraw/zinc/95/36/37/342953637.db2.gz KYLWVTCPQYVPQR-VIFPVBQESA-N 1 0 206.293 1.357 50 0 BDAARO Cc1ccc(CNCC[NH2+]C[C@H](C)O)cc1 ZINC000019370650 342947454 /nfs/dbraw/zinc/94/74/54/342947454.db2.gz HIWVTHJOUYZDGL-LBPRGKRZSA-N 1 0 222.332 1.055 50 0 BDAARO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1C ZINC000019409948 342947746 /nfs/dbraw/zinc/94/77/46/342947746.db2.gz KQMLATCVWGNAHS-GFCCVEGCSA-N 1 0 218.300 1.994 50 0 BDAARO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)on1 ZINC000042505042 362004707 /nfs/dbraw/zinc/00/47/07/362004707.db2.gz DRJOIVZHDBSQAN-SNVBAGLBSA-N 1 0 237.303 1.197 50 0 BDAARO Cn1cc(Cl)cc1C(=O)N1CCC[NH2+]CC1 ZINC000020213953 342977551 /nfs/dbraw/zinc/97/75/51/342977551.db2.gz JETHPNKFGXZNJF-UHFFFAOYSA-N 1 0 241.722 1.114 50 0 BDAARO CC[NH+]1CCC(NCc2ccccn2)CC1 ZINC000019956983 342964332 /nfs/dbraw/zinc/96/43/32/342964332.db2.gz TXBULJOMSCUYSB-UHFFFAOYSA-N 1 0 219.332 1.656 50 0 BDAARO CC(C)c1nccn1-c1ccc(N)cn1 ZINC000019972511 342965629 /nfs/dbraw/zinc/96/56/29/342965629.db2.gz TYRTZKHJPINMJR-UHFFFAOYSA-N 1 0 202.261 1.973 50 0 BDAARO CC(C)(C)c1csc(CN2CC[NH2+]CC2)n1 ZINC000020221721 342977920 /nfs/dbraw/zinc/97/79/20/342977920.db2.gz JFJACYUTQSMDQE-UHFFFAOYSA-N 1 0 239.388 1.846 50 0 BDAARO C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000020230819 342978052 /nfs/dbraw/zinc/97/80/52/342978052.db2.gz JZMYRFZAMCXUIF-UHFFFAOYSA-N 1 0 220.316 1.238 50 0 in-vitro BDAARO Cc1ccc(NC(=O)N2CC[NH2+]CC2)cc1 ZINC000020284259 342980396 /nfs/dbraw/zinc/98/03/96/342980396.db2.gz CQLSOBHHDIYRAO-UHFFFAOYSA-N 1 0 219.288 1.432 50 0 BDAARO CC[NH+]1CCN(C(=O)/C=C/c2ccco2)CC1 ZINC000072273034 343127705 /nfs/dbraw/zinc/12/77/05/343127705.db2.gz RXPVDGJAPAEJJW-AATRIKPKSA-N 1 0 234.299 1.457 50 0 BDAARO O=c1[nH]cnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000030678408 343193135 /nfs/dbraw/zinc/19/31/35/343193135.db2.gz PVNGDFHKRAIVTC-UHFFFAOYSA-N 1 0 241.294 1.328 50 0 BDAARO [NH3+][C@@H]1COCc2ccc(Br)cc21 ZINC000030678327 343193159 /nfs/dbraw/zinc/19/31/59/343193159.db2.gz GNICKYODKFSWCS-SECBINFHSA-N 1 0 228.089 1.979 50 0 BDAARO C[C@H](O)C[NH+](C[C@H](C)O)CC1CCCCC1 ZINC000000757390 343269878 /nfs/dbraw/zinc/26/98/78/343269878.db2.gz IDKZBAVMSJFTQT-RYUDHWBXSA-N 1 0 229.364 1.630 50 0 BDAARO Cc1ccsc1C[NH+]1CCN(CCO)CC1 ZINC000019606903 343271395 /nfs/dbraw/zinc/27/13/95/343271395.db2.gz CMTNWTDDQNGNDX-UHFFFAOYSA-N 1 0 240.372 1.166 50 0 BDAARO C[C@@H](CO)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000035602161 343299226 /nfs/dbraw/zinc/29/92/26/343299226.db2.gz WIZHUUSXTOOWCZ-ZFWWWQNUSA-N 1 0 248.370 1.621 50 0 BDAARO Cc1nc(CN2CCC[NH2+]CC2)oc1C ZINC000037909129 343360402 /nfs/dbraw/zinc/36/04/02/343360402.db2.gz IMGDFWRPFCHFBW-UHFFFAOYSA-N 1 0 209.293 1.087 50 0 BDAARO C[C@H](C(N)=O)[N@H+](C)CCc1ccccc1 ZINC000048577532 343370909 /nfs/dbraw/zinc/37/09/09/343370909.db2.gz BQWAPJMKJXPEOZ-SNVBAGLBSA-N 1 0 206.289 1.035 50 0 BDAARO COc1cc(C[NH3+])c(Br)cc1O ZINC000038343231 343374370 /nfs/dbraw/zinc/37/43/70/343374370.db2.gz KNXQYRQIEZKBBG-UHFFFAOYSA-N 1 0 232.077 1.622 50 0 BDAARO Cc1ccc(CN2CC[N@@H+](C)[C@H](CCO)C2)o1 ZINC000039413500 343390097 /nfs/dbraw/zinc/39/00/97/343390097.db2.gz YYMGKCIHRLHNCI-GFCCVEGCSA-N 1 0 238.331 1.086 50 0 BDAARO Cn1cc(C[NH2+]C[C@@H](O)c2ccccc2F)cn1 ZINC000041159797 343416791 /nfs/dbraw/zinc/41/67/91/343416791.db2.gz PEIOGNGWDMHYAJ-CYBMUJFWSA-N 1 0 249.289 1.382 50 0 BDAARO O=C(OC[C@H]1CC[NH2+]C1)C(Cl)(Cl)Cl ZINC000042768684 343451139 /nfs/dbraw/zinc/45/11/39/343451139.db2.gz VOJXZUBHLHSDLZ-YFKPBYRVSA-N 1 0 246.521 1.509 50 0 BDAARO CC(=O)Nc1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC000042776276 343452533 /nfs/dbraw/zinc/45/25/33/343452533.db2.gz NQJQUBCRFLWMRI-GFCCVEGCSA-N 1 0 220.272 1.386 50 0 BDAARO CN(CC1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000042783286 343452965 /nfs/dbraw/zinc/45/29/65/343452965.db2.gz TYBSOQUCVOCLPN-GFCCVEGCSA-N 1 0 212.337 1.097 50 0 BDAARO CN(CC1CCOCC1)c1ncccc1C[NH3+] ZINC000042783572 343453606 /nfs/dbraw/zinc/45/36/06/343453606.db2.gz PUYOPWQMKSACQP-UHFFFAOYSA-N 1 0 235.331 1.403 50 0 BDAARO CCN(C(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000043861813 343485824 /nfs/dbraw/zinc/48/58/24/343485824.db2.gz JGRCDKUNLLBMTE-UHFFFAOYSA-N 1 0 228.336 1.995 50 0 BDAARO COc1cc(CC[NH3+])ccc1Br ZINC000044138524 343492927 /nfs/dbraw/zinc/49/29/27/343492927.db2.gz KNLHFRSNELASBY-UHFFFAOYSA-N 1 0 230.105 1.959 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000043220735 343466441 /nfs/dbraw/zinc/46/64/41/343466441.db2.gz LZBANXJWOBNBLH-LBPRGKRZSA-N 1 0 226.320 1.749 50 0 BDAARO CC[NH+]1CCC(NC(=O)Nc2cccnc2)CC1 ZINC000048354742 343578676 /nfs/dbraw/zinc/57/86/76/343578676.db2.gz USNSFRGMNYDARV-UHFFFAOYSA-N 1 0 248.330 1.687 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCC1 ZINC000058874040 343703276 /nfs/dbraw/zinc/70/32/76/343703276.db2.gz DUGNIVSCRZXNSK-GFCCVEGCSA-N 1 0 224.348 1.873 50 0 BDAARO CCn1cc(C[NH2+][C@@H](C)C(OC)OC)cn1 ZINC000234224527 343709350 /nfs/dbraw/zinc/70/93/50/343709350.db2.gz NMFMJMWXHWCJTE-VIFPVBQESA-N 1 0 227.308 1.000 50 0 BDAARO Fc1cnc(Nc2nc(C3CC3)c[nH]2)nc1 ZINC000585135015 344148165 /nfs/dbraw/zinc/14/81/65/344148165.db2.gz UJPBLVJEHNUFHR-UHFFFAOYSA-N 1 0 219.223 1.960 50 0 BDAARO CC1(C)C[N@H+](Cc2ccccc2)C[C@H](CO)O1 ZINC000091692670 344283599 /nfs/dbraw/zinc/28/35/99/344283599.db2.gz RKNCXMQRTZZKDM-CYBMUJFWSA-N 1 0 235.327 1.658 50 0 BDAARO CNc1ncccc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000092669329 344301296 /nfs/dbraw/zinc/30/12/96/344301296.db2.gz IPWXSOWWGFHXTC-CYBMUJFWSA-N 1 0 248.374 1.649 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000062666780 178681817 /nfs/dbraw/zinc/68/18/17/178681817.db2.gz UOLUILVZCZTJTF-JTQLQIEISA-N 1 0 222.263 1.307 50 0 BDAARO [NH3+][C@H]1CCCN(c2ccc(F)cc2)C1=O ZINC000070061658 537856162 /nfs/dbraw/zinc/85/61/62/537856162.db2.gz KOWYADOCYKQIDR-JTQLQIEISA-N 1 0 208.236 1.280 50 0 BDAARO [NH2+]=C1NC[C@@]2(CCc3cc(F)ccc32)O1 ZINC000166577035 344930844 /nfs/dbraw/zinc/93/08/44/344930844.db2.gz KRYTZQVSKDZPMU-LLVKDONJSA-N 1 0 206.220 1.312 50 0 BDAARO Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)C2CC2)C1 ZINC000409421028 344968594 /nfs/dbraw/zinc/96/85/94/344968594.db2.gz ZEPSWMYUTKJEPC-LBPRGKRZSA-N 1 0 247.342 1.758 50 0 BDAARO CC[C@@H](c1ccccc1)[NH+]1CCN(CCO)CC1 ZINC000057860326 345080533 /nfs/dbraw/zinc/08/05/33/345080533.db2.gz YOBSPSOAGALYTD-HNNXBMFYSA-N 1 0 248.370 1.748 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000227168529 133539177 /nfs/dbraw/zinc/53/91/77/133539177.db2.gz NSLQYSKWKOSMSS-DDHJBXDOSA-N 1 0 240.347 1.140 50 0 BDAARO COCCOC[C@@](C)([NH3+])c1ccccc1 ZINC000406011231 537906350 /nfs/dbraw/zinc/90/63/50/537906350.db2.gz VVRAOUWZHPNBOQ-GFCCVEGCSA-N 1 0 209.289 1.524 50 0 BDAARO CC(C)CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000095466159 345686244 /nfs/dbraw/zinc/68/62/44/345686244.db2.gz RIASLJFEEIQWNZ-OLZOCXBDSA-N 1 0 238.375 1.975 50 0 BDAARO CCC[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000075011762 537925149 /nfs/dbraw/zinc/92/51/49/537925149.db2.gz UTBIAVQUCWIUAP-WDEREUQCSA-N 1 0 210.321 1.339 50 0 BDAARO Cc1ccc2oc(CN3CC[NH2+]CC3)nc2c1 ZINC000035505401 178987759 /nfs/dbraw/zinc/98/77/59/178987759.db2.gz LHTVABYEPJAEMF-UHFFFAOYSA-N 1 0 231.299 1.541 50 0 BDAARO Cc1cccc(C)c1NC(=O)CN1CC[NH2+]CC1 ZINC000019976719 179041301 /nfs/dbraw/zinc/04/13/01/179041301.db2.gz NJKRFQIWDJSYOK-UHFFFAOYSA-N 1 0 247.342 1.147 50 0 BDAARO Cc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000000237782 179074547 /nfs/dbraw/zinc/07/45/47/179074547.db2.gz QOQGYHKPVCBIDG-UHFFFAOYSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1ccc([C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000000499784 346417397 /nfs/dbraw/zinc/41/73/97/346417397.db2.gz PWBRXJMRRWCPCJ-CQSZACIVSA-N 1 0 217.312 1.908 50 0 BDAARO Cc1cccc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000044493346 179146230 /nfs/dbraw/zinc/14/62/30/179146230.db2.gz JXCPUNPITQXVFL-NSHDSACASA-N 1 0 205.305 1.944 50 0 BDAARO Cc1cccc(OCC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000072328571 179163788 /nfs/dbraw/zinc/16/37/88/179163788.db2.gz JUMIALQMUNDFBD-GFCCVEGCSA-N 1 0 248.326 1.242 50 0 BDAARO Cc1occc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932080 347209041 /nfs/dbraw/zinc/20/90/41/347209041.db2.gz LCGHQHYUZCHXLG-LLVKDONJSA-N 1 0 234.299 1.508 50 0 BDAARO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)o1 ZINC000027932354 347290616 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/nfs/dbraw/zinc/27/14/16/179271416.db2.gz CNGYYZAESAMCRR-UHFFFAOYSA-N 1 0 220.316 1.691 50 0 BDAARO Cc1ccccc1C[NH+]1CCC(C(N)=O)CC1 ZINC000008317310 179271660 /nfs/dbraw/zinc/27/16/60/179271660.db2.gz USOOXQTUAKLRLZ-UHFFFAOYSA-N 1 0 232.327 1.692 50 0 BDAARO O[C@H]1COC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000195558918 347646186 /nfs/dbraw/zinc/64/61/86/347646186.db2.gz BJWQSQIUOIJNNJ-HOAMVYINSA-N 1 0 233.311 1.282 50 0 BDAARO Cc1ccccc1C[NH2+]CC[S@](C)=O ZINC000089689374 179280716 /nfs/dbraw/zinc/28/07/16/179280716.db2.gz JXOGPAZGYMXUDR-CQSZACIVSA-N 1 0 211.330 1.463 50 0 BDAARO Cc1ccccc1C[C@H](C)[NH2+]Cc1ncnn1C ZINC000096478852 179290971 /nfs/dbraw/zinc/29/09/71/179290971.db2.gz HHWDVZTYFUGVQF-LBPRGKRZSA-N 1 0 244.342 1.844 50 0 BDAARO C[C@@H](Nc1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000050163984 488365205 /nfs/dbraw/zinc/36/52/05/488365205.db2.gz JWPLLEZZORFMOM-ZJUUUORDSA-N 1 0 206.293 1.277 50 0 BDAARO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000019503209 179312379 /nfs/dbraw/zinc/31/23/79/179312379.db2.gz HDAIQFWPPDZQKO-LBPRGKRZSA-N 1 0 248.326 1.194 50 0 BDAARO CN(C)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000036906704 347970901 /nfs/dbraw/zinc/97/09/01/347970901.db2.gz JUYUCJOMOYUPQE-UHFFFAOYSA-N 1 0 247.342 1.234 50 0 BDAARO C=CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037006942 348009807 /nfs/dbraw/zinc/00/98/07/348009807.db2.gz NTDIANLVOKPZGR-CYBMUJFWSA-N 1 0 230.311 1.563 50 0 BDAARO Cc1ccsc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000050228730 179536816 /nfs/dbraw/zinc/53/68/16/179536816.db2.gz YXVKFAYVGUSPPM-QMMMGPOBSA-N 1 0 210.302 1.230 50 0 BDAARO COc1ccc([C@H](O)[C@H]2CCC[NH2+]2)cc1 ZINC000032011721 190984332 /nfs/dbraw/zinc/98/43/32/190984332.db2.gz CPOJMIWZUKSHFY-NEPJUHHUSA-N 1 0 207.273 1.481 50 0 BDAARO C[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725256147 538055538 /nfs/dbraw/zinc/05/55/38/538055538.db2.gz VDEHQPCRVXXZQR-MFKMUULPSA-N 1 0 240.347 1.995 50 0 BDAARO Cc1nc2cc(NC(=O)C3C[NH2+]C3)ccc2[nH]1 ZINC000072344624 180094005 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/nfs/dbraw/zinc/61/63/58/180616358.db2.gz IZZYTSSRGLIYNN-UHFFFAOYSA-N 1 0 201.273 1.909 50 0 BDAARO Cn1cc(-c2ccc(C[NH2+]CCCO)cc2)cn1 ZINC000032578288 180627072 /nfs/dbraw/zinc/62/70/72/180627072.db2.gz SHXCAAUFXZHPHB-UHFFFAOYSA-N 1 0 245.326 1.559 50 0 BDAARO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH2+]C1 ZINC000238860518 180636202 /nfs/dbraw/zinc/63/62/02/180636202.db2.gz ZPUMPEAGLZCEBQ-ZETCQYMHSA-N 1 0 233.237 1.906 50 0 BDAARO O=C1[O+]=NN(c2ccccc2)C1Br ZINC000002019784 351884486 /nfs/dbraw/zinc/88/44/86/351884486.db2.gz KIZKTBQGLPVCRL-UHFFFAOYSA-O 1 0 242.052 1.419 50 0 BDAARO CC(C)(C)[C@@H]1CO[n+]2ccccc2S1 ZINC000018191246 187587920 /nfs/dbraw/zinc/58/79/20/187587920.db2.gz MFMWVHWKNVLHTP-VIFPVBQESA-N 1 0 210.322 1.923 50 0 BDAARO CCn1c2c(c(=[NH2+])c3c1CCC3)CCC2 ZINC000000362067 187638354 /nfs/dbraw/zinc/63/83/54/187638354.db2.gz DBEMLFZVHLDULA-UHFFFAOYSA-N 1 0 202.301 1.965 50 0 BDAARO C(NC1=[NH+]CCCN1)[C@@H]1CCCCS1 ZINC000252485945 187677673 /nfs/dbraw/zinc/67/76/73/187677673.db2.gz HFPBNVNCPBEBGW-VIFPVBQESA-N 1 0 213.350 1.211 50 0 BDAARO Cn1ccc([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000083573623 180712461 /nfs/dbraw/zinc/71/24/61/180712461.db2.gz RFROTZNQHGIQJF-NSHDSACASA-N 1 0 205.236 1.607 50 0 BDAARO FC1(F)CCC([NH2+][C@H]2CCOC2)CC1 ZINC000306303375 180916033 /nfs/dbraw/zinc/91/60/33/180916033.db2.gz CTQQOPDSLCNJIJ-VIFPVBQESA-N 1 0 205.248 1.943 50 0 BDAARO O=C1C[C@@H]([NH2+]C2CC2)C(=O)N1c1ccccc1 ZINC000004163966 353264678 /nfs/dbraw/zinc/26/46/78/353264678.db2.gz YXHWQGQJCLZEHC-LLVKDONJSA-N 1 0 230.267 1.071 50 0 BDAARO CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]2CCCC[C@H]21 ZINC000004593288 188276267 /nfs/dbraw/zinc/27/62/67/188276267.db2.gz NEJWOOYTADGXMH-SDDRHHMPSA-N 1 0 210.321 1.385 50 0 BDAARO CC(C)N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000012481065 188279109 /nfs/dbraw/zinc/27/91/09/188279109.db2.gz CINROHPPTHQGJY-UHFFFAOYSA-N 1 0 206.289 1.626 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1 ZINC000011958371 188279780 /nfs/dbraw/zinc/27/97/80/188279780.db2.gz NHVVWMMAUCSGQC-LBPRGKRZSA-N 1 0 220.316 1.628 50 0 BDAARO CC(C)Cc1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000019089649 188280817 /nfs/dbraw/zinc/28/08/17/188280817.db2.gz APINFVMTWMDIIJ-SECBINFHSA-N 1 0 209.293 1.735 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019386675 188281234 /nfs/dbraw/zinc/28/12/34/188281234.db2.gz SIHLWNGPBLLVFA-LLVKDONJSA-N 1 0 218.300 1.416 50 0 BDAARO CNC(=O)CC[NH2+]Cc1ccccc1Cl ZINC000019737022 188281963 /nfs/dbraw/zinc/28/19/63/188281963.db2.gz VBHVITDRDLHPRT-UHFFFAOYSA-N 1 0 226.707 1.566 50 0 BDAARO OCC[NH2+]Cc1ccccc1Br ZINC000034937268 188285283 /nfs/dbraw/zinc/28/52/83/188285283.db2.gz GOTOOAFMQJAGTN-UHFFFAOYSA-N 1 0 230.105 1.531 50 0 BDAARO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000043506184 188295788 /nfs/dbraw/zinc/29/57/88/188295788.db2.gz OCZOFCPATYYMBA-WCQYABFASA-N 1 0 238.375 1.974 50 0 BDAARO C[NH+]1CCC(CNC(=O)Nc2ccncc2)CC1 ZINC000058357329 188302348 /nfs/dbraw/zinc/30/23/48/188302348.db2.gz DYVVHGLRIWEKLV-UHFFFAOYSA-N 1 0 248.330 1.545 50 0 BDAARO CC1(C)[NH2+]CC[C@H]1NCCNc1cccnc1 ZINC000067725158 188304741 /nfs/dbraw/zinc/30/47/41/188304741.db2.gz KXPYRLJNTZKEHN-GFCCVEGCSA-N 1 0 234.347 1.224 50 0 BDAARO CC(C)[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1C(=O)[O-] ZINC000091635623 188319350 /nfs/dbraw/zinc/31/93/50/188319350.db2.gz LLSRPNGVRZDJKO-VHSXEESVSA-N 1 0 228.336 1.012 50 0 BDAARO CCCN(C[C@@H]1CCCCO1)C(=O)CC[NH3+] ZINC000158927012 188334031 /nfs/dbraw/zinc/33/40/31/188334031.db2.gz AOWWHHGPNUIQMZ-NSHDSACASA-N 1 0 228.336 1.143 50 0 BDAARO C/C=C/C=C/C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000096423480 188364895 /nfs/dbraw/zinc/36/48/95/188364895.db2.gz KOFPGFZEZDFXMP-IVCOTGPOSA-N 1 0 222.332 1.671 50 0 BDAARO CC(C)N(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000096997850 188365568 /nfs/dbraw/zinc/36/55/68/188365568.db2.gz WWLBBXXISPAIAW-LLVKDONJSA-N 1 0 206.289 1.553 50 0 BDAARO CC(C)[N@H+](C)CC(=O)Nc1ccc2n[nH]nc2c1 ZINC000096473278 188366389 /nfs/dbraw/zinc/36/63/89/188366389.db2.gz OZLUBEPXPUGNLG-UHFFFAOYSA-N 1 0 247.302 1.237 50 0 BDAARO Fc1cccc(F)c1CO[C@H]1CC[NH2+]C1 ZINC000042782987 181000520 /nfs/dbraw/zinc/00/05/20/181000520.db2.gz MYNOXVGYHVAUIP-QMMMGPOBSA-N 1 0 213.227 1.843 50 0 BDAARO Fc1ccccc1-c1n[nH]c2c1C[NH2+]CC2 ZINC000020221834 181008931 /nfs/dbraw/zinc/00/89/31/181008931.db2.gz VOGZQPQAMQJQCG-UHFFFAOYSA-N 1 0 217.247 1.862 50 0 BDAARO Fc1ccccc1C1=NC2=[NH+]C=CCN2C1 ZINC000215765956 181010625 /nfs/dbraw/zinc/01/06/25/181010625.db2.gz MPPLJXVJYCTWDS-UHFFFAOYSA-N 1 0 215.231 1.814 50 0 BDAARO FC[C@H]1C[N@H+](Cc2ccccn2)CCCO1 ZINC000334646769 354437182 /nfs/dbraw/zinc/43/71/82/354437182.db2.gz LBBFGUFMRDTNBC-LBPRGKRZSA-N 1 0 224.279 1.642 50 0 BDAARO Cc1c[nH+]ccc1N1CC[C@@](O)(C(F)F)C1 ZINC000334798237 354553052 /nfs/dbraw/zinc/55/30/52/354553052.db2.gz SBTPDUJFBLFYCX-NSHDSACASA-N 1 0 228.242 1.596 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000252485873 363382562 /nfs/dbraw/zinc/38/25/62/363382562.db2.gz BHFNEAUFPOYSFB-RWMBFGLXSA-N 1 0 236.359 1.729 50 0 BDAARO NC(=[NH2+])c1cccc(OC(F)(F)F)c1 ZINC000008699936 181195772 /nfs/dbraw/zinc/19/57/72/181195772.db2.gz JPBVRRAGKXTOFS-UHFFFAOYSA-N 1 0 204.151 1.869 50 0 BDAARO NC(=O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119008287 181236602 /nfs/dbraw/zinc/23/66/02/181236602.db2.gz VADYSSCVUIQVPV-KBPBESRZSA-N 1 0 246.354 1.863 50 0 BDAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC2)[C@H](C)C1 ZINC000084779979 538534524 /nfs/dbraw/zinc/53/45/24/538534524.db2.gz WWCIIVSDMPWKPD-ZYHUDNBSSA-N 1 0 239.363 1.521 50 0 BDAARO OC[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000089598007 538581875 /nfs/dbraw/zinc/58/18/75/538581875.db2.gz VRQHIUTVTHDWHE-MWLCHTKSSA-N 1 0 215.362 1.633 50 0 BDAARO CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC000095465110 538607307 /nfs/dbraw/zinc/60/73/07/538607307.db2.gz HVGIETPQRCMMFS-UHFFFAOYSA-N 1 0 217.272 1.783 50 0 BDAARO c1cn(C2CC[NH+](CC3CCC3)CC2)nn1 ZINC000095994221 538614956 /nfs/dbraw/zinc/61/49/56/538614956.db2.gz AYTRYPVQLIYWBD-UHFFFAOYSA-N 1 0 220.320 1.715 50 0 BDAARO C[NH2+]Cc1cc(-c2ccc(N)cc2)n[nH]1 ZINC000685949488 538892475 /nfs/dbraw/zinc/89/24/75/538892475.db2.gz SOYXCLXVCFQFOW-UHFFFAOYSA-N 1 0 202.261 1.378 50 0 BDAARO C[C@H](CC[NH2+][C@@H]1CCCSC1)[S@](C)=O ZINC000221365096 358188226 /nfs/dbraw/zinc/18/82/26/358188226.db2.gz SFZPLFHIPZQDPK-RULNRJAQSA-N 1 0 235.418 1.629 50 0 BDAARO CC(C)C[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000044868983 358556900 /nfs/dbraw/zinc/55/69/00/358556900.db2.gz BMTIAJFGMBVAOS-UHFFFAOYSA-N 1 0 238.375 1.977 50 0 BDAARO CC(C)CN1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000253495362 359328914 /nfs/dbraw/zinc/32/89/14/359328914.db2.gz ASDWXQUVMVMUDF-UHFFFAOYSA-N 1 0 248.374 1.503 50 0 BDAARO C[C@@H](NC(=O)c1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000521398760 359701976 /nfs/dbraw/zinc/70/19/76/359701976.db2.gz KIIYYEIZGLYRJE-MNOVXSKESA-N 1 0 233.315 1.342 50 0 BDAARO C[C@H](CNC(=O)c1ccncc1)[NH+]1CCCC1 ZINC000036077097 360564008 /nfs/dbraw/zinc/56/40/08/360564008.db2.gz CLCJOJLJROOUJH-LLVKDONJSA-N 1 0 233.315 1.296 50 0 BDAARO Cc1ccsc1C(=O)N(C)C1CC[NH2+]CC1 ZINC000036283155 360800708 /nfs/dbraw/zinc/80/07/08/360800708.db2.gz ZVUPKRBCUKFJPP-UHFFFAOYSA-N 1 0 238.356 1.881 50 0 BDAARO O=C(NCc1ccccc1)C1(F)CC[NH2+]CC1 ZINC000169793067 361130918 /nfs/dbraw/zinc/13/09/18/361130918.db2.gz UKIZAVZWUVOLKH-UHFFFAOYSA-N 1 0 236.290 1.395 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(C)Cc1cccs1 ZINC000036873272 361573214 /nfs/dbraw/zinc/57/32/14/361573214.db2.gz WREXHYZGVSSMMB-JTQLQIEISA-N 1 0 226.345 1.834 50 0 BDAARO CCN1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1C ZINC000036901527 361577890 /nfs/dbraw/zinc/57/78/90/361577890.db2.gz KEJQOSRRPLTGBX-GFCCVEGCSA-N 1 0 222.336 1.292 50 0 BDAARO [NH3+]C1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000037757002 181344700 /nfs/dbraw/zinc/34/47/00/181344700.db2.gz JKXGKJVEEBYFMK-UHFFFAOYSA-N 1 0 216.288 1.490 50 0 BDAARO CCNC(=O)NCC1([NH3+])CCC(C)CC1 ZINC000725254972 541331986 /nfs/dbraw/zinc/33/19/86/541331986.db2.gz LZPHAIXXEXXMPN-UHFFFAOYSA-N 1 0 213.325 1.213 50 0 BDAARO [NH3+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000006677807 181362764 /nfs/dbraw/zinc/36/27/64/181362764.db2.gz RJNKDRCJNIVDII-UHFFFAOYSA-N 1 0 209.264 1.833 50 0 BDAARO [NH3+]CCCCCNC(=O)c1ccccc1 ZINC000002583722 181375391 /nfs/dbraw/zinc/37/53/91/181375391.db2.gz GCFYRWMWMMXAQR-UHFFFAOYSA-N 1 0 206.289 1.545 50 0 BDAARO [NH3+]CCN1CCC(Cc2ccccc2)CC1 ZINC000019367229 181392233 /nfs/dbraw/zinc/39/22/33/181392233.db2.gz PCNDXYHWLSHXMV-UHFFFAOYSA-N 1 0 218.344 1.900 50 0 in-vitro BDAARO [NH3+]CC[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000002585673 181410839 /nfs/dbraw/zinc/41/08/39/181410839.db2.gz ZKELBKKCCWEFAG-LBPRGKRZSA-N 1 0 248.326 1.994 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004240476 181430578 /nfs/dbraw/zinc/43/05/78/181430578.db2.gz NQGRCKNDDGCZPV-LBPRGKRZSA-N 1 0 234.299 1.746 50 0 BDAARO CCC[C@@](C)(O)C[NH2+]C[C@](C)(O)CCC ZINC000002164088 368369997 /nfs/dbraw/zinc/36/99/97/368369997.db2.gz BPDRKWSLLFOOON-VXGBXAGGSA-N 1 0 217.353 1.678 50 0 BDAARO CC(=O)N[C@](C)(C[NH3+])c1ccc2c(c1)CCCC2 ZINC000019808785 368371564 /nfs/dbraw/zinc/37/15/64/368371564.db2.gz HRYOEJISUYDPBS-OAHLLOKOSA-N 1 0 246.354 1.875 50 0 BDAARO c1cnn(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000063576923 368587848 /nfs/dbraw/zinc/58/78/48/368587848.db2.gz OWIXGMCLWKGGCH-CHWSQXEVSA-N 1 0 235.331 1.527 50 0 BDAARO C[C@H]1C[C@H]([NH2+]CC[S@](C)=O)C[C@@H](C)C1 ZINC000253369978 368938733 /nfs/dbraw/zinc/93/87/33/368938733.db2.gz KQUZTVRCEOWKGT-OXIWPEFWSA-N 1 0 217.378 1.779 50 0 BDAARO NC(=O)[C@H]1CCC[N@H+](CCC[C@H]2CCCO2)C1 ZINC000253369654 368939767 /nfs/dbraw/zinc/93/97/67/368939767.db2.gz GGAWLCRPCILIPT-RYUDHWBXSA-N 1 0 240.347 1.143 50 0 BDAARO [NH3+]Cc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1 ZINC000087804022 181479820 /nfs/dbraw/zinc/47/98/20/181479820.db2.gz JJKGTFCWJDMSKE-LLVKDONJSA-N 1 0 245.282 1.699 50 0 BDAARO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccn1 ZINC000621267774 370199491 /nfs/dbraw/zinc/19/94/91/370199491.db2.gz OJQNDCVEWRFOFS-LLVKDONJSA-N 1 0 235.331 1.380 50 0 BDAARO C[NH+](C)[C@H]1CCN(Cc2ccncc2F)C1 ZINC000114880622 370605682 /nfs/dbraw/zinc/60/56/82/370605682.db2.gz OLSDEWLMSKXOFJ-NSHDSACASA-N 1 0 223.295 1.357 50 0 BDAARO c1coc(C[NH2+][C@H]2CCn3nccc3C2)c1 ZINC000390829968 371239288 /nfs/dbraw/zinc/23/92/88/371239288.db2.gz HUPJZLKBADNCIT-JTQLQIEISA-N 1 0 217.272 1.581 50 0 BDAARO COC(=O)CC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000390834566 371240782 /nfs/dbraw/zinc/24/07/82/371240782.db2.gz DISXTXQRSUBIFT-LLVKDONJSA-N 1 0 211.305 1.838 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]12 ZINC000170078278 181592790 /nfs/dbraw/zinc/59/27/90/181592790.db2.gz NYPKXPQXBNXWNH-FBIMIBRVSA-N 1 0 236.340 1.557 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000019093112 181643644 /nfs/dbraw/zinc/64/36/44/181643644.db2.gz QXZQTLCDKRVYKB-NSHDSACASA-N 1 0 204.273 1.250 50 0 BDAARO [NH3+][C@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000050094076 181649957 /nfs/dbraw/zinc/64/99/57/181649957.db2.gz CWUPPLXXGRJCBZ-NSHDSACASA-N 1 0 226.283 1.875 50 0 BDAARO [NH3+][C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000095742993 181660354 /nfs/dbraw/zinc/66/03/54/181660354.db2.gz WENOQIOUQAFDMC-JSGCOSHPSA-N 1 0 246.310 1.746 50 0 BDAARO COC(=O)NCCCC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000096027394 371378500 /nfs/dbraw/zinc/37/85/00/371378500.db2.gz FWERZICOLISZGX-QWRGUYRKSA-N 1 0 228.336 1.995 50 0 BDAARO COc1ccc(CCNC(=O)C[NH2+]C2CC2)cc1 ZINC000003310790 371950975 /nfs/dbraw/zinc/95/09/75/371950975.db2.gz QRYBEIKQKHQHPM-UHFFFAOYSA-N 1 0 248.326 1.106 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccccn2)C1 ZINC000606441645 372102367 /nfs/dbraw/zinc/10/23/67/372102367.db2.gz HVHRZAVVEKFOOA-WSROAFLRSA-N 1 0 245.326 1.305 50 0 BDAARO O=C(C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000071373320 182021760 /nfs/dbraw/zinc/02/17/60/182021760.db2.gz XHVLUTQIIVXHCI-LLVKDONJSA-N 1 0 205.257 1.248 50 0 BDAARO OC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000068958188 373099349 /nfs/dbraw/zinc/09/93/49/373099349.db2.gz SJMUAEGSLCPXCD-FOSCPWQOSA-N 1 0 211.305 1.153 50 0 BDAARO Cc1occc1C(=O)NCCC[NH+]1CCCC1 ZINC000040465498 373280278 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/nfs/dbraw/zinc/05/26/58/206052658.db2.gz DVZSPWQSVSDIIK-ZDUSSCGKSA-N 1 0 247.342 1.546 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccco1 ZINC000046995098 182302656 /nfs/dbraw/zinc/30/26/56/182302656.db2.gz FOXWULJUWSIXDG-GHMZBOCLSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(N[C@@H]1CC[NH2+]C1)c1cc2c(s1)CCC2 ZINC000052092973 182304133 /nfs/dbraw/zinc/30/41/33/182304133.db2.gz ADOWQSLHWRQGDR-SECBINFHSA-N 1 0 236.340 1.329 50 0 BDAARO O=C(OCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000042768448 182602138 /nfs/dbraw/zinc/60/21/38/182602138.db2.gz XBGQTUUOQGLPMC-JTQLQIEISA-N 1 0 223.272 1.826 50 0 BDAARO O=C(OCC[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000042768308 182602635 /nfs/dbraw/zinc/60/26/35/182602635.db2.gz QYBJNWXZQWOIPU-NSHDSACASA-N 1 0 234.299 1.628 50 0 BDAARO O=C([C@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000016941882 182635388 /nfs/dbraw/zinc/63/53/88/182635388.db2.gz SMBBBQYTVUGYPP-LBPRGKRZSA-N 1 0 230.311 1.575 50 0 BDAARO O=C1CCC2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000079032963 182725873 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205.301 1.732 50 0 BDAARO CCCN(CCC)C(=O)n1cc[n+](C)c1 ZINC000032628708 169146045 /nfs/dbraw/zinc/14/60/45/169146045.db2.gz CRBPESYZOLIQBL-UHFFFAOYSA-N 1 0 210.301 1.403 50 0 BDAARO Oc1cccc(C[NH2+]CCCn2cccn2)c1 ZINC000067186406 183290266 /nfs/dbraw/zinc/29/02/66/183290266.db2.gz VQRUBQBZBYVHQB-UHFFFAOYSA-N 1 0 231.299 1.769 50 0 BDAARO c1cc(-c2nc(C[C@H]3CC[NH2+]C3)no2)ccn1 ZINC000083327442 183331135 /nfs/dbraw/zinc/33/11/35/183331135.db2.gz SYSWDLXTTZXWTK-SECBINFHSA-N 1 0 230.271 1.284 50 0 BDAARO CCC[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000004795228 169256205 /nfs/dbraw/zinc/25/62/05/169256205.db2.gz WPLYQDGNONRJFP-UHFFFAOYSA-N 1 0 232.327 1.571 50 0 BDAARO c1cc(N[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000043324421 183369721 /nfs/dbraw/zinc/36/97/21/183369721.db2.gz AANMWTKLRLIILV-SNVBAGLBSA-N 1 0 220.272 1.579 50 0 BDAARO CCC[NH2+]CCc1cccc2c1CC(=O)N2 ZINC000022056510 169261128 /nfs/dbraw/zinc/26/11/28/169261128.db2.gz VKDWFHAQOZYATG-UHFFFAOYSA-N 1 0 218.300 1.723 50 0 world BDAARO c1cc(OCCN2CC[NH2+]CC2)cc2c1CCC2 ZINC000019728620 183370707 /nfs/dbraw/zinc/37/07/07/183370707.db2.gz JFCRYNYBXQAVRP-UHFFFAOYSA-N 1 0 246.354 1.459 50 0 BDAARO c1cc(O[C@@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000014632257 183370713 /nfs/dbraw/zinc/37/07/13/183370713.db2.gz AEIMEMJKCBXSIK-CYBMUJFWSA-N 1 0 203.285 1.916 50 0 BDAARO CCCNC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000067964736 169234497 /nfs/dbraw/zinc/23/44/97/169234497.db2.gz GCYRHEIGCAXYPA-UHFFFAOYSA-N 1 0 225.336 1.182 50 0 BDAARO CCCNC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000012359915 169251923 /nfs/dbraw/zinc/25/19/23/169251923.db2.gz HSRLHUMODGJSCO-ZDUSSCGKSA-N 1 0 248.326 1.567 50 0 BDAARO c1ccc(CN2CC[C@]23CC[NH2+]C3)cc1 ZINC000091361799 183403659 /nfs/dbraw/zinc/40/36/59/183403659.db2.gz HVFOGWYVURWQFX-ZDUSSCGKSA-N 1 0 202.301 1.624 50 0 BDAARO CCSCC[C@@H](C)N(C)C(=O)[C@@H](C)[NH3+] ZINC000121643677 170640580 /nfs/dbraw/zinc/64/05/80/170640580.db2.gz MCLMRJIDUQYFBT-RKDXNWHRSA-N 1 0 218.366 1.324 50 0 BDAARO CCCOCCOCC[C@@H]1CCCC[NH2+]1 ZINC000042772128 169309910 /nfs/dbraw/zinc/30/99/10/169309910.db2.gz RVIMKOWBKYNDMI-LBPRGKRZSA-N 1 0 215.337 1.962 50 0 BDAARO c1ccc2c(c1)SCC[C@@H]2NC1=[NH+]CCN1 ZINC000058355131 183453867 /nfs/dbraw/zinc/45/38/67/183453867.db2.gz OMFJDJDOLLZHQK-JTQLQIEISA-N 1 0 233.340 1.772 50 0 BDAARO c1ccc2c(c1)OC[C@@H](C[NH2+]CC1CC1)O2 ZINC000036882458 183452304 /nfs/dbraw/zinc/45/23/04/183452304.db2.gz OEANJYLDOLHBSU-LLVKDONJSA-N 1 0 219.284 1.826 50 0 BDAARO c1nnc(C[C@@H]2CCC[NH2+]C2)n1CC1CC1 ZINC000169676632 183551948 /nfs/dbraw/zinc/55/19/48/183551948.db2.gz REGNDIRRMPNDOM-NSHDSACASA-N 1 0 220.320 1.230 50 0 BDAARO CCC[C@@](C)(CCC[NH3+])C1OCCO1 ZINC000039185808 169448428 /nfs/dbraw/zinc/44/84/28/169448428.db2.gz HIAAGLJAQBKBGQ-NSHDSACASA-N 1 0 201.310 1.905 50 0 BDAARO CCC[C@H](C)[NH2+]C1(CCO)CCOCC1 ZINC000096494878 169493124 /nfs/dbraw/zinc/49/31/24/169493124.db2.gz FQEYQWAWSQDUDZ-NSHDSACASA-N 1 0 215.337 1.696 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000000263815 383848501 /nfs/dbraw/zinc/84/85/01/383848501.db2.gz VIZVBQKOOJYGKL-SNVBAGLBSA-N 1 0 239.315 1.828 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]C2(CC2)C1 ZINC000066348112 383860680 /nfs/dbraw/zinc/86/06/80/383860680.db2.gz XXKCYKIJWLFVDG-UHFFFAOYSA-N 1 0 212.293 1.359 50 0 BDAARO [NH3+]CCc1ccccc1Br ZINC000000403524 383863638 /nfs/dbraw/zinc/86/36/38/383863638.db2.gz ITRNQMJXZUWZQL-UHFFFAOYSA-N 1 0 200.079 1.950 50 0 BDAARO C[NH+]1CCC(OC(=O)Cc2ccccc2)CC1 ZINC000000526354 383875664 /nfs/dbraw/zinc/87/56/64/383875664.db2.gz WWZHNPLTYCIJLH-UHFFFAOYSA-N 1 0 233.311 1.867 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH3+])CC1 ZINC000067425243 383922222 /nfs/dbraw/zinc/92/22/22/383922222.db2.gz IXTYMZYBENRBEC-GFCCVEGCSA-N 1 0 244.335 1.097 50 0 BDAARO [NH3+]CCSCc1ccc(Cl)nc1 ZINC000037035787 383932053 /nfs/dbraw/zinc/93/20/53/383932053.db2.gz MZWOYVMEXUAFHM-UHFFFAOYSA-N 1 0 202.710 1.927 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)NC2CCOCC2)c1 ZINC000036320118 383898031 /nfs/dbraw/zinc/89/80/31/383898031.db2.gz KBOUNTOUDKEIRE-UHFFFAOYSA-N 1 0 249.314 1.446 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1 ZINC000050245877 383985692 /nfs/dbraw/zinc/98/56/92/383985692.db2.gz ICQBGGWIJTXCMK-QMMMGPOBSA-N 1 0 240.253 1.386 50 0 BDAARO CC(C)N(Cc1nccn1C)[C@H]1CCC[NH2+]C1 ZINC000067755818 383943455 /nfs/dbraw/zinc/94/34/55/383943455.db2.gz DTCRLRJKPOLLDC-LBPRGKRZSA-N 1 0 236.363 1.383 50 0 BDAARO C[NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000037240670 383962639 /nfs/dbraw/zinc/96/26/39/383962639.db2.gz IMEMNAWEPMLHLD-JTQLQIEISA-N 1 0 236.315 1.502 50 0 BDAARO COC[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237181614 383972827 /nfs/dbraw/zinc/97/28/27/383972827.db2.gz OMYAMYVTGCCUEY-TUAOUCFPSA-N 1 0 240.347 1.141 50 0 BDAARO Cc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)n(C)n1 ZINC000334931238 383976587 /nfs/dbraw/zinc/97/65/87/383976587.db2.gz QHCTVMHJMZXSED-NXEZZACHSA-N 1 0 211.284 1.709 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000255106814 384006964 /nfs/dbraw/zinc/00/69/64/384006964.db2.gz COAIMXDGZOXBKM-FMFIFOJESA-N 1 0 244.338 1.829 50 0 BDAARO C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000004206254 384043790 /nfs/dbraw/zinc/04/37/90/384043790.db2.gz LKZAEAUQHSOIAY-VIFPVBQESA-N 1 0 202.261 1.548 50 0 BDAARO COc1ccccc1/C=C\C(=O)N1CC[C@@H]([NH3+])C1 ZINC000255330361 384079955 /nfs/dbraw/zinc/07/99/55/384079955.db2.gz VDQNZHYWTZKXEV-ZHRWSRJISA-N 1 0 246.310 1.268 50 0 BDAARO CCc1c(C)[nH+]c(N)nc1NCc1cc(C)n[nH]1 ZINC000091636534 384136164 /nfs/dbraw/zinc/13/61/64/384136164.db2.gz FPBATIRMAPXIDG-UHFFFAOYSA-N 1 0 246.318 1.573 50 0 BDAARO Cc1c(C(=O)N2C[C@H]([NH3+])[C@@H](C3CC3)C2)ccn1C ZINC000091382272 384125007 /nfs/dbraw/zinc/12/50/07/384125007.db2.gz ZBDNDQWGWIUVJU-OLZOCXBDSA-N 1 0 247.342 1.143 50 0 BDAARO C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000006020671 384142895 /nfs/dbraw/zinc/14/28/95/384142895.db2.gz IDARAQGFZJPPNW-VIFPVBQESA-N 1 0 207.273 1.956 50 0 BDAARO CC(C)[C@@H]1CC[C@@H](C)CC[N@@H+]1CC(N)=O ZINC000071910204 384160518 /nfs/dbraw/zinc/16/05/18/384160518.db2.gz 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/nfs/dbraw/zinc/77/96/18/384779618.db2.gz FMZRRIHWLOAPQX-ZDUSSCGKSA-N 1 0 220.316 1.279 50 0 BDAARO CN(C)CC[NH2+]Cc1cc2ccccc2n1C ZINC000022913553 384779875 /nfs/dbraw/zinc/77/98/75/384779875.db2.gz MVKUBRNRNDTHLE-UHFFFAOYSA-N 1 0 231.343 1.830 50 0 BDAARO CN(C)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000083285605 384758858 /nfs/dbraw/zinc/75/88/58/384758858.db2.gz ORTUNLBFVLRZSZ-UHFFFAOYSA-N 1 0 205.305 1.615 50 0 BDAARO C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)c1cccnc1 ZINC000125970823 384762821 /nfs/dbraw/zinc/76/28/21/384762821.db2.gz VTQYNTNFMPEQNC-QWRGUYRKSA-N 1 0 233.315 1.005 50 0 BDAARO CC[C@@H](C(=O)Nc1cc(C)ccn1)[NH+](C)C ZINC000084718739 384763890 /nfs/dbraw/zinc/76/38/90/384763890.db2.gz CSNASPQSYAAEIN-JTQLQIEISA-N 1 0 221.304 1.669 50 0 BDAARO CN(CCC[NH+](C)C)C(=O)NC(C)(C)C ZINC000095467169 384781365 /nfs/dbraw/zinc/78/13/65/384781365.db2.gz FBDKDTDFLCTPBI-UHFFFAOYSA-N 1 0 215.341 1.378 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000044541602 384788847 /nfs/dbraw/zinc/78/88/47/384788847.db2.gz IODCAZGGWIKBBA-LBPRGKRZSA-N 1 0 236.290 1.779 50 0 BDAARO O=C1N(Cc2cccnc2)CCC[C@@]12CC[NH2+]C2 ZINC000072151757 384789349 /nfs/dbraw/zinc/78/93/49/384789349.db2.gz QEHFYJGDVNACPL-AWEZNQCLSA-N 1 0 245.326 1.184 50 0 BDAARO COC(=O)c1ccc2[nH+]c(C)cc(N)c2c1 ZINC000026462976 384875331 /nfs/dbraw/zinc/87/53/31/384875331.db2.gz GCWAAIDZQLXZNW-UHFFFAOYSA-N 1 0 216.240 1.912 50 0 BDAARO COC(=O)C1=CC[N@H+](Cc2ccccc2)C1 ZINC000026895069 384887964 /nfs/dbraw/zinc/88/79/64/384887964.db2.gz KRKHGZZFPSTQSW-UHFFFAOYSA-N 1 0 217.268 1.602 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1csnc1C ZINC000072243095 384854018 /nfs/dbraw/zinc/85/40/18/384854018.db2.gz IPJPXRNNWMNANK-UHFFFAOYSA-N 1 0 241.360 1.523 50 0 BDAARO COc1cccc(C)c1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000583651331 384859997 /nfs/dbraw/zinc/85/99/97/384859997.db2.gz LDMPCSHHKVPCGQ-NSHDSACASA-N 1 0 248.326 1.311 50 0 BDAARO Cn1cncc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000119175678 384867104 /nfs/dbraw/zinc/86/71/04/384867104.db2.gz UHJBVRMHLARELY-UONOGXRCSA-N 1 0 243.310 1.168 50 0 BDAARO COc1ccc(F)c(N2CC[NH2+]CC2)c1 ZINC000084476696 384868246 /nfs/dbraw/zinc/86/82/46/384868246.db2.gz CMYIPUCTRFIJOB-UHFFFAOYSA-N 1 0 210.252 1.244 50 0 BDAARO CSCC[N@H+](C)[C@@H]1CCN(C(C)C)C1=O ZINC000095422872 384910405 /nfs/dbraw/zinc/91/04/05/384910405.db2.gz TWCDBLJOXQFSSB-SNVBAGLBSA-N 1 0 230.377 1.291 50 0 BDAARO CS[C@H](C)C[NH2+][C@H]1CCN(C(C)C)C1 ZINC000127941055 384925055 /nfs/dbraw/zinc/92/50/55/384925055.db2.gz ULAZLSDVKZZYMG-MNOVXSKESA-N 1 0 216.394 1.810 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C(F)(F)C1 ZINC000085210354 384927599 /nfs/dbraw/zinc/92/75/99/384927599.db2.gz APZOOTJWPGQYSZ-ZETCQYMHSA-N 1 0 236.262 1.590 50 0 BDAARO C1CC[C@@H](c2nnc3n2CCCC3)[NH2+]C1 ZINC000057217691 384930744 /nfs/dbraw/zinc/93/07/44/384930744.db2.gz IQNJOWIQIFYJMK-VIFPVBQESA-N 1 0 206.293 1.429 50 0 BDAARO O=C1OCC[C@H]1N1CCc2sccc2C1 ZINC000028174228 384931106 /nfs/dbraw/zinc/93/11/06/384931106.db2.gz GUZXYDWVRNSTCG-SECBINFHSA-N 1 0 223.297 1.422 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]CCOc1ccccc1 ZINC000086124215 384990272 /nfs/dbraw/zinc/99/02/72/384990272.db2.gz VMWGDNVUMNDEDR-CYBMUJFWSA-N 1 0 223.316 1.672 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000070392874 384994986 /nfs/dbraw/zinc/99/49/86/384994986.db2.gz AJWRAPQZIRBHQJ-CMPLNLGQSA-N 1 0 246.310 1.112 50 0 BDAARO C[NH+](C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000058393724 385003085 /nfs/dbraw/zinc/00/30/85/385003085.db2.gz WUEPFUZEYGOKJF-UHFFFAOYSA-N 1 0 232.327 1.984 50 0 BDAARO CC(C)n1c(=S)[nH]nc1C1CC[NH2+]CC1 ZINC000060276634 385077369 /nfs/dbraw/zinc/07/73/69/385077369.db2.gz FSTLSCPXJKWWNU-UHFFFAOYSA-N 1 0 226.349 1.989 50 0 BDAARO Fc1cccc(CCNC2=[NH+]CCCN2)c1 ZINC000225528220 385082148 /nfs/dbraw/zinc/08/21/48/385082148.db2.gz GOJKBNMUXHTGRI-UHFFFAOYSA-N 1 0 221.279 1.307 50 0 BDAARO Cc1c[nH]c(C[NH2+]CC(C)C)c(C)c1=O ZINC000058823406 385024956 /nfs/dbraw/zinc/02/49/56/385024956.db2.gz XHBQHHOGRTWQRV-UHFFFAOYSA-N 1 0 208.305 1.737 50 0 BDAARO c1cnc2sc(N3CC[NH2+]CC3)nc2c1 ZINC000032918569 385190120 /nfs/dbraw/zinc/19/01/20/385190120.db2.gz VXPIPAWSZNQVBH-UHFFFAOYSA-N 1 0 220.301 1.101 50 0 BDAARO c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000032915228 385190987 /nfs/dbraw/zinc/19/09/87/385190987.db2.gz LODPYENASSOOBD-OLZOCXBDSA-N 1 0 202.301 1.480 50 0 BDAARO COC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000106854702 385157180 /nfs/dbraw/zinc/15/71/80/385157180.db2.gz LTOHRHQKQDQRDC-VXGBXAGGSA-N 1 0 215.337 1.504 50 0 BDAARO CSC[C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000096423475 385163720 /nfs/dbraw/zinc/16/37/20/385163720.db2.gz JGSWJUSVWMZFJJ-WDEREUQCSA-N 1 0 244.404 1.538 50 0 BDAARO CC(C)[N@H+](CC[C@H]1COC(C)(C)O1)CC(N)=O ZINC000328597264 385164314 /nfs/dbraw/zinc/16/43/14/385164314.db2.gz GJWHRAHDXGOMRY-JTQLQIEISA-N 1 0 244.335 1.774 50 0 BDAARO CC(C)c1ncncc1C(=O)N1CCC[NH2+]CC1 ZINC000269129303 385243680 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/nfs/dbraw/zinc/88/98/68/385889868.db2.gz NQSFWBAVWYASRQ-CYBMUJFWSA-N 1 0 216.284 1.571 50 0 BDAARO CC(C)[C@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000232765439 385890392 /nfs/dbraw/zinc/89/03/92/385890392.db2.gz ISMKWEAFUHHREH-SKDRFNHKSA-N 1 0 226.295 1.888 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCCO1 ZINC000219341041 385928429 /nfs/dbraw/zinc/92/84/29/385928429.db2.gz IKLKEABMVKRUKY-GFCCVEGCSA-N 1 0 249.314 1.097 50 0 BDAARO CC[C@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000335014299 385971174 /nfs/dbraw/zinc/97/11/74/385971174.db2.gz PWWNMZXGIDSWCD-JTQLQIEISA-N 1 0 222.263 1.452 50 0 BDAARO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccc(F)c1 ZINC000132255501 386230236 /nfs/dbraw/zinc/23/02/36/386230236.db2.gz BKWOYYLDBCMEQF-JOYOIKCWSA-N 1 0 236.290 1.489 50 0 BDAARO Cc1ccc(CCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000052946127 386436289 /nfs/dbraw/zinc/43/62/89/386436289.db2.gz XJKAJWRWFCZPMB-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO O=C(c1ccccn1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299778819 386490332 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386742956 /nfs/dbraw/zinc/74/29/56/386742956.db2.gz AEQQPWJFPJRELC-VHSXEESVSA-N 1 0 228.311 1.287 50 0 BDAARO CCN(C)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000087645617 386944531 /nfs/dbraw/zinc/94/45/31/386944531.db2.gz ZOVRAVIXLZRVLR-ZYHUDNBSSA-N 1 0 220.316 1.801 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000049649141 387151467 /nfs/dbraw/zinc/15/14/67/387151467.db2.gz LSIFBMWPCIURGG-MRVPVSSYSA-N 1 0 228.654 1.543 50 0 BDAARO CC[C@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082370865 387154733 /nfs/dbraw/zinc/15/47/33/387154733.db2.gz PMPYKOTYYOFJRY-BDAKNGLRSA-N 1 0 214.309 1.733 50 0 BDAARO CC[C@H]1[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000082370867 387155290 /nfs/dbraw/zinc/15/52/90/387155290.db2.gz PMPYKOTYYOFJRY-IUCAKERBSA-N 1 0 214.309 1.733 50 0 BDAARO c1cc(O[C@H]2CC[NH2+]C2)ncc1C1CC1 ZINC000536952018 387163878 /nfs/dbraw/zinc/16/38/78/387163878.db2.gz ATJXACAUPYOEBV-NSHDSACASA-N 1 0 204.273 1.700 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C)C[NH2+][C@H]2C1 ZINC000095743110 387228791 /nfs/dbraw/zinc/22/87/91/387228791.db2.gz PXSDUVHLZMOBDQ-CABZTGNLSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1cc(C)cc(-c2nnc(CC[NH3+])o2)c1 ZINC000050283879 387275683 /nfs/dbraw/zinc/27/56/83/387275683.db2.gz AZVUYPGDAQPRAG-UHFFFAOYSA-N 1 0 217.272 1.855 50 0 BDAARO CSC[C@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000089544730 387304534 /nfs/dbraw/zinc/30/45/34/387304534.db2.gz JQHABQMKTDWKPA-VIFPVBQESA-N 1 0 227.377 1.912 50 0 BDAARO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)C(N)=O ZINC000191359004 387382370 /nfs/dbraw/zinc/38/23/70/387382370.db2.gz WLXOWWFKSBCFJX-YUTCNCBUSA-N 1 0 246.354 1.861 50 0 BDAARO CC(C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000122681043 387475183 /nfs/dbraw/zinc/47/51/83/387475183.db2.gz SBXDPJKYBSPBHQ-SNVBAGLBSA-N 1 0 200.326 1.474 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000238045724 387592163 /nfs/dbraw/zinc/59/21/63/387592163.db2.gz PHRMZIMBDVBNJD-KTRBRXNASA-N 1 0 248.301 1.789 50 0 BDAARO CCC[C@H](C)[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000192841309 387709011 /nfs/dbraw/zinc/70/90/11/387709011.db2.gz MQHUJUREPHNFRA-SRVKXCTJSA-N 1 0 215.337 1.911 50 0 BDAARO O=C(OCc1ccccc1)N1CC2(C1)CC[NH2+]C2 ZINC000095803828 387852036 /nfs/dbraw/zinc/85/20/36/387852036.db2.gz FORJRUCMUSZSIG-UHFFFAOYSA-N 1 0 246.310 1.619 50 0 BDAARO C=CC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000521394073 387915033 /nfs/dbraw/zinc/91/50/33/387915033.db2.gz IKYJDFNPVYNTMF-NSHDSACASA-N 1 0 210.321 1.553 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CCCn1cccn1 ZINC000065478033 387998816 /nfs/dbraw/zinc/99/88/16/387998816.db2.gz CDLCVPSKPJLLHT-UHFFFAOYSA-N 1 0 233.319 1.403 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000082370854 388032918 /nfs/dbraw/zinc/03/29/18/388032918.db2.gz IDQDGCULZZTIBP-DTWKUNHWSA-N 1 0 214.309 1.591 50 0 BDAARO CC[C@](C)(CCO)[NH2+]Cc1nccn1C ZINC000166037171 388253563 /nfs/dbraw/zinc/25/35/63/388253563.db2.gz ZCEREFXDOPLKLR-LLVKDONJSA-N 1 0 211.309 1.061 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC000075921592 388366437 /nfs/dbraw/zinc/36/64/37/388366437.db2.gz IADSUFVQROEZEH-MXWKQRLJSA-N 1 0 233.377 1.210 50 0 BDAARO C[C@@H](CNC(=O)C1(c2ccccc2)CC1)[NH+](C)C ZINC000071804278 388446230 /nfs/dbraw/zinc/44/62/30/388446230.db2.gz ANKGLEKBPCWZHC-LBPRGKRZSA-N 1 0 246.354 1.785 50 0 BDAARO CO[C@]1(C)C[C@H]([NH2+]C2CCOCC2)C1(C)C ZINC000072926263 388461050 /nfs/dbraw/zinc/46/10/50/388461050.db2.gz AQYPVTGCWRYHKJ-WCQYABFASA-N 1 0 227.348 1.959 50 0 BDAARO C[NH+](C)CCCNC(=O)Nc1ccc(F)cc1 ZINC000008770613 388408288 /nfs/dbraw/zinc/40/82/88/388408288.db2.gz GDSNUTWOEDPQPL-UHFFFAOYSA-N 1 0 239.294 1.899 50 0 BDAARO C[C@H]1CSCCN1CC[NH+]1CCCCC1 ZINC000172435858 388409700 /nfs/dbraw/zinc/40/97/00/388409700.db2.gz IXWPBOXRVUNLPF-LBPRGKRZSA-N 1 0 228.405 1.910 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069511856 388418812 /nfs/dbraw/zinc/41/88/12/388418812.db2.gz NZRPGTPZDOTSCY-NSHDSACASA-N 1 0 233.319 1.103 50 0 BDAARO Cn1cc([C@H]2CCC[N@@H+]2CC(C)(C)O)cn1 ZINC000069632375 388422816 /nfs/dbraw/zinc/42/28/16/388422816.db2.gz XMSKEJUEDAIMDJ-LLVKDONJSA-N 1 0 223.320 1.328 50 0 BDAARO Cc1occc1C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000070175966 388433321 /nfs/dbraw/zinc/43/33/21/388433321.db2.gz VIGYWYGMTFEZJJ-CABZTGNLSA-N 1 0 236.315 1.787 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@@H]2CC[NH3+])[nH]n1 ZINC000070378918 388436363 /nfs/dbraw/zinc/43/63/63/388436363.db2.gz XMXXTLOGAGJGDO-SNVBAGLBSA-N 1 0 236.319 1.062 50 0 BDAARO CO[C@@H]1C[C@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000308399173 388437661 /nfs/dbraw/zinc/43/76/61/388437661.db2.gz UYWLCTIRLWUZQC-NWDGAFQWSA-N 1 0 235.331 1.430 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000195575785 388496498 /nfs/dbraw/zinc/49/64/98/388496498.db2.gz LXIXPPOSKIWXKE-BFHYXJOUSA-N 1 0 241.375 1.918 50 0 BDAARO CCC(CC)n1nc(NC(=O)C[NH2+]C)cc1C ZINC000253426003 388592357 /nfs/dbraw/zinc/59/23/57/388592357.db2.gz FJYUATACOUSSIC-UHFFFAOYSA-N 1 0 238.335 1.711 50 0 BDAARO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000241383151 388595600 /nfs/dbraw/zinc/59/56/00/388595600.db2.gz MSWKGRVZRHEZEM-YNEHKIRRSA-N 1 0 225.332 1.820 50 0 BDAARO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000241383148 388595780 /nfs/dbraw/zinc/59/57/80/388595780.db2.gz MSWKGRVZRHEZEM-FRRDWIJNSA-N 1 0 225.332 1.820 50 0 BDAARO COC(=O)C(=C/C=C/[NH2+]C(C)(C)C)C(=O)OC ZINC000245197922 388571229 /nfs/dbraw/zinc/57/12/29/388571229.db2.gz XHOOGCKBHZSVDL-SOFGYWHQSA-N 1 0 241.287 1.161 50 0 BDAARO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000225397434 388679647 /nfs/dbraw/zinc/67/96/47/388679647.db2.gz BGPNEJHQFYHRGZ-VHSXEESVSA-N 1 0 240.328 1.574 50 0 BDAARO C[C@]1(c2nc(C3CC3)no2)CCC[NH2+]C1 ZINC000062871905 388657876 /nfs/dbraw/zinc/65/78/76/388657876.db2.gz ODXWKGJGMCRDPO-NSHDSACASA-N 1 0 207.277 1.588 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC000095956854 388794463 /nfs/dbraw/zinc/79/44/63/388794463.db2.gz VJFXBJZDKRYRJF-QMMMGPOBSA-N 1 0 208.261 1.376 50 0 BDAARO C[C@@H](C(=O)NC(C)(C)C)N(C)CCC[NH+](C)C ZINC000095995931 388801075 /nfs/dbraw/zinc/80/10/75/388801075.db2.gz HUDNQOFXAQMDLH-NSHDSACASA-N 1 0 243.395 1.173 50 0 BDAARO C[C@H](C(=O)NC(C)(C)C)N(C)CCC[NH+](C)C ZINC000095995932 388801154 /nfs/dbraw/zinc/80/11/54/388801154.db2.gz HUDNQOFXAQMDLH-LLVKDONJSA-N 1 0 243.395 1.173 50 0 BDAARO Cc1noc(C)c1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037408367 388759234 /nfs/dbraw/zinc/75/92/34/388759234.db2.gz MWBGWRCKXKXMNE-GFCCVEGCSA-N 1 0 249.358 1.865 50 0 BDAARO O=C1CCCN1C[C@H]1CCCC[N@@H+]1CC1CC1 ZINC000095418516 388767524 /nfs/dbraw/zinc/76/75/24/388767524.db2.gz NCEKXAFKTSITPG-CYBMUJFWSA-N 1 0 236.359 1.873 50 0 BDAARO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)N(C)CC ZINC000095462637 388774410 /nfs/dbraw/zinc/77/44/10/388774410.db2.gz QLNGLKHGGCZPQR-MNOVXSKESA-N 1 0 214.353 1.879 50 0 BDAARO C(C1CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000156627084 388816021 /nfs/dbraw/zinc/81/60/21/388816021.db2.gz DHNIHNMUBPSTLV-UHFFFAOYSA-N 1 0 224.348 1.193 50 0 BDAARO c1nnc([C@@H]2CCC[NH2+]2)n1C1CCCC1 ZINC000054526454 388837032 /nfs/dbraw/zinc/83/70/32/388837032.db2.gz WFRXIUVGRQDRCY-JTQLQIEISA-N 1 0 206.293 1.818 50 0 BDAARO COC[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000299750819 388846059 /nfs/dbraw/zinc/84/60/59/388846059.db2.gz OMYAMYVTGCCUEY-WOPDTQHZSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000082554155 132310424 /nfs/dbraw/zinc/31/04/24/132310424.db2.gz MGKXFWPDHPNPGE-SNVBAGLBSA-N 1 0 248.326 1.066 50 0 BDAARO CC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000000052575 132312527 /nfs/dbraw/zinc/31/25/27/132312527.db2.gz MJBNVFIETIHRNU-UHFFFAOYSA-N 1 0 222.263 1.438 50 0 BDAARO CCC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000000129109 132312806 /nfs/dbraw/zinc/31/28/06/132312806.db2.gz BHWXDRIZYFZLQF-UHFFFAOYSA-N 1 0 236.290 1.828 50 0 BDAARO CCCc1nc(C)cc(N2CC[NH+](C)CC2)n1 ZINC000016606540 132323359 /nfs/dbraw/zinc/32/33/59/132323359.db2.gz BIKVDJQIBMRATE-UHFFFAOYSA-N 1 0 234.347 1.489 50 0 BDAARO C[NH2+]CCN1CCN(c2ccccc2)CC1 ZINC000019685484 132325899 /nfs/dbraw/zinc/32/58/99/132325899.db2.gz JZEUDJSTGWNDCA-UHFFFAOYSA-N 1 0 219.332 1.028 50 0 BDAARO C[C@@H]([NH3+])c1ccccc1N1CCOCC1 ZINC000019871979 132328181 /nfs/dbraw/zinc/32/81/81/132328181.db2.gz CMFWBSAZPHINIF-SNVBAGLBSA-N 1 0 206.289 1.543 50 0 BDAARO COC(=O)c1cccc(N2CC[NH+](C)CC2)c1 ZINC000025725455 132333165 /nfs/dbraw/zinc/33/31/65/132333165.db2.gz LPOJJZXQESTVEV-UHFFFAOYSA-N 1 0 234.299 1.225 50 0 BDAARO C[C@@H]([NH3+])CCN1CCN(c2ccccc2)CC1 ZINC000032627479 132335558 /nfs/dbraw/zinc/33/55/58/132335558.db2.gz SSLLIGZEBJAXAP-CYBMUJFWSA-N 1 0 233.359 1.546 50 0 BDAARO C[C@H]([NH3+])CCN1CCN(c2ccccc2)CC1 ZINC000032627480 132335586 /nfs/dbraw/zinc/33/55/86/132335586.db2.gz SSLLIGZEBJAXAP-ZDUSSCGKSA-N 1 0 233.359 1.546 50 0 BDAARO O=C1CCc2ccccc2N1C1CC[NH2+]CC1 ZINC000034416648 132336442 /nfs/dbraw/zinc/33/64/42/132336442.db2.gz GFKGUVNWUQOLLX-UHFFFAOYSA-N 1 0 230.311 1.718 50 0 BDAARO COc1cc(F)ccc1N1CC[NH2+]CC1 ZINC000038951870 132346295 /nfs/dbraw/zinc/34/62/95/132346295.db2.gz WBXQIAKHNGXXCJ-UHFFFAOYSA-N 1 0 210.252 1.244 50 0 BDAARO c1cc2c(c(N3CC[NH2+]CC3)c1)CCN2 ZINC000062522982 132387668 /nfs/dbraw/zinc/38/76/68/132387668.db2.gz CZRGQQQYBVFZHL-UHFFFAOYSA-N 1 0 203.289 1.064 50 0 BDAARO CCCc1nc(C)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000065372802 132389653 /nfs/dbraw/zinc/38/96/53/132389653.db2.gz PYKUZMGWQKZFQY-TXEJJXNPSA-N 1 0 246.358 1.678 50 0 BDAARO NC(=[NH2+])[C@H]1CN(c2ccccc2)C(=O)NC1=O ZINC000063110788 132389779 /nfs/dbraw/zinc/38/97/79/132389779.db2.gz IXWAAVOKADHTFP-MRVPVSSYSA-N 1 0 232.243 1.135 50 0 BDAARO CNC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336008452 134049637 /nfs/dbraw/zinc/04/96/37/134049637.db2.gz KGCZRHXQAQZPTI-QMMMGPOBSA-N 1 0 220.263 1.100 50 0 BDAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccnc1 ZINC000030908738 398000826 /nfs/dbraw/zinc/00/08/26/398000826.db2.gz HQWJPGRCQMXGEU-ZDUSSCGKSA-N 1 0 242.326 1.982 50 0 BDAARO CC(C)=CC[NH2+][C@H]1CCc2ncnn2C1 ZINC000075603405 398130965 /nfs/dbraw/zinc/13/09/65/398130965.db2.gz FQAMXFFWHYTSAC-JTQLQIEISA-N 1 0 206.293 1.149 50 0 BDAARO CC(C)C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000006550640 167005961 /nfs/dbraw/zinc/00/59/61/167005961.db2.gz JYLDLRCXCSIDDJ-CYBMUJFWSA-N 1 0 228.380 1.589 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[NH2+]1 ZINC000034781541 176252686 /nfs/dbraw/zinc/25/26/86/176252686.db2.gz NUZXPHIQZUYMOR-RKDXNWHRSA-N 1 0 214.309 1.604 50 0 BDAARO Brc1cccc(O[C@@H]2CC[NH2+]C2)n1 ZINC000042783019 166101720 /nfs/dbraw/zinc/10/17/20/166101720.db2.gz UMYYYNHAAXQGAO-SSDOTTSWSA-N 1 0 243.104 1.585 50 0 BDAARO CC(=O)c1csc(NC(=O)C[C@H](C)[NH3+])n1 ZINC000070886103 166487760 /nfs/dbraw/zinc/48/77/60/166487760.db2.gz WLHPULBNCKTMEO-YFKPBYRVSA-N 1 0 227.289 1.022 50 0 BDAARO CC(C)CC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000309627184 166863680 /nfs/dbraw/zinc/86/36/80/166863680.db2.gz QJXCBRZVIHKYSP-LLVKDONJSA-N 1 0 224.348 1.823 50 0 BDAARO CC[NH+](CC)CCN1CCOC2(CCC2)C1 ZINC000097050918 169777862 /nfs/dbraw/zinc/77/78/62/169777862.db2.gz PCFDBYMGBPYPOT-UHFFFAOYSA-N 1 0 226.364 1.583 50 0 BDAARO CC(C)NC(=O)Nc1cccnc1N(C)C ZINC000064554170 167079143 /nfs/dbraw/zinc/07/91/43/167079143.db2.gz NPSOOMDDJTYIRU-UHFFFAOYSA-N 1 0 222.292 1.678 50 0 BDAARO CC(C)NC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC000032626972 167088493 /nfs/dbraw/zinc/08/84/93/167088493.db2.gz LIRIWSUNPZLBEM-VIFPVBQESA-N 1 0 221.304 1.291 50 0 BDAARO CC(C)OCCC[NH2+]Cc1ccncc1 ZINC000002598900 167223895 /nfs/dbraw/zinc/22/38/95/167223895.db2.gz VXJSWDKAIDAQOB-UHFFFAOYSA-N 1 0 208.305 1.986 50 0 BDAARO CC(C)[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000096997495 167383146 /nfs/dbraw/zinc/38/31/46/167383146.db2.gz RRYQFYQGWXRKIM-PWSUYJOCSA-N 1 0 220.316 1.847 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc[nH]1 ZINC000165412097 167518276 /nfs/dbraw/zinc/51/82/76/167518276.db2.gz LEIBBMTXIYJLOH-ZYHUDNBSSA-N 1 0 223.320 1.560 50 0 BDAARO COc1cc(C[NH2+][C@@H]2C[C@H]2C)cc2c1OCO2 ZINC000105438097 411038191 /nfs/dbraw/zinc/03/81/91/411038191.db2.gz GUEZTGKIENQHRN-PSASIEDQSA-N 1 0 235.283 1.922 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)SC ZINC000107320393 411133274 /nfs/dbraw/zinc/13/32/74/411133274.db2.gz IVXSZLGTZKQMEC-UWVGGRQHSA-N 1 0 232.393 1.584 50 0 BDAARO CC1(C)CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000036232556 167949065 /nfs/dbraw/zinc/94/90/65/167949065.db2.gz SUFWCJDPBFDCAU-LBPRGKRZSA-N 1 0 248.326 1.324 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000191121658 168102920 /nfs/dbraw/zinc/10/29/20/168102920.db2.gz HEAGBAXFHQWYDG-XUXIUFHCSA-N 1 0 239.359 1.406 50 0 BDAARO CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@]1(CO)CCOC1 ZINC000225516093 168105046 /nfs/dbraw/zinc/10/50/46/168105046.db2.gz OEKJLNAVXDTSLS-MELADBBJSA-N 1 0 239.359 1.720 50 0 BDAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(C)on1 ZINC000010030424 168298110 /nfs/dbraw/zinc/29/81/10/168298110.db2.gz DYUCXYVGXMLBSS-UHFFFAOYSA-N 1 0 225.292 1.700 50 0 BDAARO CC[N@@H+]1CCc2c(sc(N)c2C(=O)OC)C1 ZINC000000265910 170024447 /nfs/dbraw/zinc/02/44/47/170024447.db2.gz QDZJROJNKFKBEP-UHFFFAOYSA-N 1 0 240.328 1.495 50 0 BDAARO CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1 ZINC000019736954 170053007 /nfs/dbraw/zinc/05/30/07/170053007.db2.gz GYEOLMNODGTXRH-NSHDSACASA-N 1 0 220.316 1.863 50 0 BDAARO CCNC(=O)C[N@H+](CC)Cc1cccc(C)c1 ZINC000048364760 170057068 /nfs/dbraw/zinc/05/70/68/170057068.db2.gz HVVYQJRTXXLYRM-UHFFFAOYSA-N 1 0 234.343 1.953 50 0 BDAARO CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000000874233 170089770 /nfs/dbraw/zinc/08/97/70/170089770.db2.gz ITMWMUMGRHXBTK-NSHDSACASA-N 1 0 231.299 1.174 50 0 BDAARO CC[NH2+]Cc1ccccc1OCCOC ZINC000034658489 170129269 /nfs/dbraw/zinc/12/92/69/170129269.db2.gz DZXJGJIPNHTHNB-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO CCOC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000001608615 170191624 /nfs/dbraw/zinc/19/16/24/170191624.db2.gz QKHMFBKXTNQCTM-UHFFFAOYSA-N 1 0 233.311 1.871 50 0 endogenous,in-man BDAARO CCOC(=O)CCCC[NH+]1CCC(OC)CC1 ZINC000096417402 170199557 /nfs/dbraw/zinc/19/95/57/170199557.db2.gz TZMVMZJRWAQRCB-UHFFFAOYSA-N 1 0 243.347 1.831 50 0 BDAARO CCOC(=O)CC[N@@H+]1CCSC[C@H]1C ZINC000069761121 170205705 /nfs/dbraw/zinc/20/57/05/170205705.db2.gz ZZXATEJAHIDJMO-SECBINFHSA-N 1 0 217.334 1.377 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1ccc(OC)cc1F ZINC000096663747 170231474 /nfs/dbraw/zinc/23/14/74/170231474.db2.gz KENQBXUDSHKWTQ-LLVKDONJSA-N 1 0 241.262 1.787 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccccc1C ZINC000003678304 170233858 /nfs/dbraw/zinc/23/38/58/170233858.db2.gz MPRYVFLHNZNJLM-NSHDSACASA-N 1 0 207.273 1.948 50 0 BDAARO CCOC(=O)C[C@](C)([NH3+])c1ccccc1 ZINC000072210264 170234688 /nfs/dbraw/zinc/23/46/88/170234688.db2.gz CNNLAZCZKGITBA-LBPRGKRZSA-N 1 0 207.273 1.814 50 0 BDAARO CCOC(=O)N1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC000000216007 170239989 /nfs/dbraw/zinc/23/99/89/170239989.db2.gz OWVOYDCGWMWYSR-NWDGAFQWSA-N 1 0 240.347 1.949 50 0 BDAARO CCOC(=O)N[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000047796116 170243097 /nfs/dbraw/zinc/24/30/97/170243097.db2.gz CQXHXHJVHAICJP-LLVKDONJSA-N 1 0 228.336 1.853 50 0 BDAARO CCOC(=O)[C@@H](C[NH3+])Cc1ccccc1 ZINC000002511921 170251413 /nfs/dbraw/zinc/25/14/13/170251413.db2.gz IIBVGXXBKONSOJ-LLVKDONJSA-N 1 0 207.273 1.367 50 0 BDAARO CCOC(=O)[C@@]1(Cc2cccnc2)CCC[NH2+]C1 ZINC000002513086 170262964 /nfs/dbraw/zinc/26/29/64/170262964.db2.gz TZWRROFYPCCRQC-CQSZACIVSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)[C@H](C)Cc1cccc(C[NH3+])c1 ZINC000012359905 170264482 /nfs/dbraw/zinc/26/44/82/170264482.db2.gz CRAZCZJESBOUFQ-SNVBAGLBSA-N 1 0 221.300 1.887 50 0 BDAARO CCOCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000096010796 170347738 /nfs/dbraw/zinc/34/77/38/170347738.db2.gz RJQLRCQYPFFKCC-UHFFFAOYSA-N 1 0 223.276 1.123 50 0 BDAARO CCOCCCC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000095458098 170365108 /nfs/dbraw/zinc/36/51/08/170365108.db2.gz JKGLJGFKJNTKNN-RYUDHWBXSA-N 1 0 242.363 1.354 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000106791655 170398353 /nfs/dbraw/zinc/39/83/53/170398353.db2.gz LGYDDIZMOMOBJE-QWRGUYRKSA-N 1 0 201.310 1.258 50 0 BDAARO CCOc1cccc(O[C@H]2CC[NH2+]C2)c1 ZINC000014632288 170583842 /nfs/dbraw/zinc/58/38/42/170583842.db2.gz HSAXURXXFADKCT-LBPRGKRZSA-N 1 0 207.273 1.826 50 0 BDAARO CCc1nc(NCC[C@H]2CCC[N@H+](C)C2)no1 ZINC000534589528 411788032 /nfs/dbraw/zinc/78/80/32/411788032.db2.gz MSBIYXNFAARWJM-SNVBAGLBSA-N 1 0 238.335 1.776 50 0 BDAARO FC(F)(F)c1ccc(N[C@@H]2CC[NH2+]C2)nn1 ZINC000132510090 412017815 /nfs/dbraw/zinc/01/78/15/412017815.db2.gz FSYMTZCMZMACQA-ZCFIWIBFSA-N 1 0 232.209 1.269 50 0 BDAARO CC[C@@H]1CN(CC=C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000106906716 171079785 /nfs/dbraw/zinc/07/97/85/171079785.db2.gz JCBPPCUWIIQAGL-UONOGXRCSA-N 1 0 240.391 1.730 50 0 BDAARO CC[C@@](C)([NH2+]C)c1nnnn1-c1ccc(C)cc1 ZINC000004558172 171174523 /nfs/dbraw/zinc/17/45/23/171174523.db2.gz VESOVKWHKGJRAF-CYBMUJFWSA-N 1 0 245.330 1.815 50 0 BDAARO CC[C@H](C(=O)Nc1cc(C)ns1)[NH+](C)C ZINC000095436790 171234397 /nfs/dbraw/zinc/23/43/97/171234397.db2.gz NYWOHPRETVJKHM-MRVPVSSYSA-N 1 0 227.333 1.730 50 0 BDAARO CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000074920891 171321310 /nfs/dbraw/zinc/32/13/10/171321310.db2.gz FXBBJHFNEUBACG-JTQLQIEISA-N 1 0 212.337 1.633 50 0 BDAARO CCC[C@H](CNc1nccnc1OC)[NH+](C)C ZINC000534655499 412365843 /nfs/dbraw/zinc/36/58/43/412365843.db2.gz PKTNXKJFIZYZAR-SNVBAGLBSA-N 1 0 238.335 1.627 50 0 BDAARO CCc1ccc(CNC2=[NH+]CCN2)cc1 ZINC000069703500 171803431 /nfs/dbraw/zinc/80/34/31/171803431.db2.gz ROJKOSPCRUSYDY-UHFFFAOYSA-N 1 0 203.289 1.298 50 0 BDAARO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH3+])s1 ZINC000191988644 172057609 /nfs/dbraw/zinc/05/76/09/172057609.db2.gz QCTPEXURVHLNSM-WDSKDSINSA-N 1 0 228.321 1.022 50 0 BDAARO CCc1nnc(NC[C@@H]2CCCCC[NH2+]2)o1 ZINC000095354849 172060774 /nfs/dbraw/zinc/06/07/74/172060774.db2.gz LKVAHJHLQOEIHI-VIFPVBQESA-N 1 0 224.308 1.576 50 0 BDAARO CCn1c[n+](CCc2ccccc2)cn1 ZINC000252506026 172148830 /nfs/dbraw/zinc/14/88/30/172148830.db2.gz VWUMKYFYXTXZSQ-UHFFFAOYSA-N 1 0 202.281 1.433 50 0 BDAARO CCn1ccnc1CN1CC[N@H+](C)C[C@H]1C ZINC000241738561 172220082 /nfs/dbraw/zinc/22/00/82/172220082.db2.gz QYPCDYOKZCTECP-LLVKDONJSA-N 1 0 222.336 1.039 50 0 BDAARO CCn1ccnc1[C@H]([NH3+])c1ccccc1 ZINC000011735330 172230190 /nfs/dbraw/zinc/23/01/90/172230190.db2.gz GRNPAXFVCGEWKT-LLVKDONJSA-N 1 0 201.273 1.951 50 0 BDAARO CN(C)C(=[NH2+])SCCOC[C@@H]1CCCO1 ZINC000089310344 172353357 /nfs/dbraw/zinc/35/33/57/172353357.db2.gz OOGVQYLYOOUZBH-VIFPVBQESA-N 1 0 232.349 1.412 50 0 BDAARO CN(C)C(=O)C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000328586413 172369947 /nfs/dbraw/zinc/36/99/47/172369947.db2.gz PYERZTQAZUJEMW-GFCCVEGCSA-N 1 0 248.326 1.058 50 0 BDAARO CN(C)C(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020210006 172370781 /nfs/dbraw/zinc/37/07/81/172370781.db2.gz HGEBBBCUBHRWEJ-UHFFFAOYSA-N 1 0 226.707 1.518 50 0 BDAARO CN(C)c1ccc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000252495794 172554058 /nfs/dbraw/zinc/55/40/58/172554058.db2.gz PAJIQEFTVGFOHB-SNVBAGLBSA-N 1 0 220.320 1.085 50 0 BDAARO CN(C[C@]12C[C@H]1C[NH2+]C2)C(=O)OC(C)(C)C ZINC000095742843 172820989 /nfs/dbraw/zinc/82/09/89/172820989.db2.gz UCMUPBISLYTFNS-JOYOIKCWSA-N 1 0 226.320 1.463 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000006698223 173014681 /nfs/dbraw/zinc/01/46/81/173014681.db2.gz NENVVJIUSLJKEN-UHFFFAOYSA-N 1 0 218.300 1.464 50 0 BDAARO C[N@@H+]1CCCN(c2ccc(CO)cc2)CC1 ZINC000012370635 173018072 /nfs/dbraw/zinc/01/80/72/173018072.db2.gz DZPOSPVFLJMLQF-UHFFFAOYSA-N 1 0 220.316 1.321 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000069927866 173035057 /nfs/dbraw/zinc/03/50/57/173035057.db2.gz ZNVWMKBJQUROOG-OLZOCXBDSA-N 1 0 247.342 1.714 50 0 BDAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccco2)C1 ZINC000000187989 173045961 /nfs/dbraw/zinc/04/59/61/173045961.db2.gz KTNFUDPJGVBBNF-VIFPVBQESA-N 1 0 209.245 1.531 50 0 BDAARO Cn1c2ccccc2nc1CN1CC[NH+](C)CC1 ZINC000020051282 173091096 /nfs/dbraw/zinc/09/10/96/173091096.db2.gz XLMWJCUJGZARHH-UHFFFAOYSA-N 1 0 244.342 1.321 50 0 BDAARO CNC(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000015261663 173271703 /nfs/dbraw/zinc/27/17/03/173271703.db2.gz VIXGBSFOSDWJKQ-ZDUSSCGKSA-N 1 0 232.327 1.742 50 0 BDAARO C[NH2+]CCCC(=O)N1c2ccccc2C[C@H]1C ZINC000037610652 173343734 /nfs/dbraw/zinc/34/37/34/173343734.db2.gz QQZPKELECJJYOT-LLVKDONJSA-N 1 0 232.327 1.964 50 0 BDAARO C[NH2+]CCCC(=O)N1CCc2ccc(O)cc2C1 ZINC000037823155 173343826 /nfs/dbraw/zinc/34/38/26/173343826.db2.gz ZKXKEYMEFNOEOB-UHFFFAOYSA-N 1 0 248.326 1.277 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc[nH]c2C)C1 ZINC000237199253 173367649 /nfs/dbraw/zinc/36/76/49/173367649.db2.gz BLGOWYKUFKUWEN-NSHDSACASA-N 1 0 235.331 1.395 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC000071144021 173369931 /nfs/dbraw/zinc/36/99/31/173369931.db2.gz APSKBLXTXPVJDG-LBPRGKRZSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+]C[C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000040595975 173378435 /nfs/dbraw/zinc/37/84/35/173378435.db2.gz QCGBPULKGKNMQF-LLVKDONJSA-N 1 0 235.331 1.097 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000071144044 173380523 /nfs/dbraw/zinc/38/05/23/173380523.db2.gz AEMRGKCMDGIDSW-CYBMUJFWSA-N 1 0 246.354 1.985 50 0 BDAARO C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000019088090 173392174 /nfs/dbraw/zinc/39/21/74/173392174.db2.gz QIIZTLNXWXNDJW-UHFFFAOYSA-N 1 0 205.236 1.935 50 0 BDAARO C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000019088464 173394088 /nfs/dbraw/zinc/39/40/88/173394088.db2.gz NYSWMNMPUQMRJS-UHFFFAOYSA-N 1 0 201.273 1.900 50 0 BDAARO C[NH2+][C@@H](C)[C@@H](O)c1ccc2c(c1)CCCO2 ZINC000006468019 173416687 /nfs/dbraw/zinc/41/66/87/173416687.db2.gz NWZPIFDZTSJMEV-TVQRCGJNSA-N 1 0 221.300 1.653 50 0 BDAARO COC(=O)[C@H]1CC[NH2+][C@H]1c1ccccc1C ZINC000004237754 173817752 /nfs/dbraw/zinc/81/77/52/173817752.db2.gz GALNQGTTYINFJS-RYUDHWBXSA-N 1 0 219.284 1.819 50 0 BDAARO COCCCN1Cc2ccccc2C1=[NH2+] ZINC000005958158 174234723 /nfs/dbraw/zinc/23/47/23/174234723.db2.gz VOELTRHCHSWGLV-UHFFFAOYSA-N 1 0 204.273 1.864 50 0 BDAARO COCCCn1c(C)cnc1[C@H]1CC[NH2+]C1 ZINC000169676612 174266585 /nfs/dbraw/zinc/26/65/85/174266585.db2.gz USXXXOCIBNXVBX-NSHDSACASA-N 1 0 223.320 1.305 50 0 BDAARO COCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069033192 174307510 /nfs/dbraw/zinc/30/75/10/174307510.db2.gz UDPOYLGLZMMNEY-CYBMUJFWSA-N 1 0 226.364 1.583 50 0 BDAARO COCCN1CC[N@H+](CC(C)C)C[C@H]1C ZINC000069840632 174307785 /nfs/dbraw/zinc/30/77/85/174307785.db2.gz WPRVQOMCWJCWSA-GFCCVEGCSA-N 1 0 214.353 1.295 50 0 BDAARO COCCN1CC[NH+](CC2CCCC2)CC1 ZINC000069624033 174309604 /nfs/dbraw/zinc/30/96/04/174309604.db2.gz WSNQLYFBTICNLA-UHFFFAOYSA-N 1 0 226.364 1.441 50 0 BDAARO COCCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000040019957 174310557 /nfs/dbraw/zinc/31/05/57/174310557.db2.gz CLAPEJACVFEQBQ-UHFFFAOYSA-N 1 0 248.370 1.759 50 0 BDAARO COCCN1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000069819146 174310688 /nfs/dbraw/zinc/31/06/88/174310688.db2.gz YRUPTAMBKFTWQY-ZDUSSCGKSA-N 1 0 240.391 1.829 50 0 BDAARO COCCN1[C@H](C)C[NH+](CCSC)C[C@H]1C ZINC000095434257 174319708 /nfs/dbraw/zinc/31/97/08/174319708.db2.gz IJJGMTKXUGXNEA-VXGBXAGGSA-N 1 0 246.420 1.390 50 0 BDAARO COCC[NH2+]CCCOc1ccc(F)cc1 ZINC000049633198 174332058 /nfs/dbraw/zinc/33/20/58/174332058.db2.gz VVQXAWFDRZFEDD-UHFFFAOYSA-N 1 0 227.279 1.831 50 0 BDAARO COCC[NH2+]CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000237306651 174332492 /nfs/dbraw/zinc/33/24/92/174332492.db2.gz ULZBLAOVQLIGPQ-RYUDHWBXSA-N 1 0 242.363 1.165 50 0 BDAARO COCC[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000062733976 174335770 /nfs/dbraw/zinc/33/57/70/174335770.db2.gz HMDPPUAWIAGDAO-UHFFFAOYSA-N 1 0 239.271 1.160 50 0 BDAARO COCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000015424206 174336209 /nfs/dbraw/zinc/33/62/09/174336209.db2.gz NLFOLSCWDSUFTK-UHFFFAOYSA-N 1 0 204.273 1.904 50 0 BDAARO COCCOc1ccc([C@@H](C)[NH3+])cc1OC ZINC000019281221 174368476 /nfs/dbraw/zinc/36/84/76/174368476.db2.gz HHUKOJYUKSTZBZ-SECBINFHSA-N 1 0 225.288 1.740 50 0 BDAARO COCCSCC[NH+]1CCCCC1 ZINC000041366500 174375415 /nfs/dbraw/zinc/37/54/15/174375415.db2.gz DEIQZCSWHSFRFP-UHFFFAOYSA-N 1 0 203.351 1.852 50 0 BDAARO COC[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000008535132 174451034 /nfs/dbraw/zinc/45/10/34/174451034.db2.gz WYFLNXGASJSGFN-SECBINFHSA-N 1 0 204.273 1.862 50 0 BDAARO CO[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000050438121 174671918 /nfs/dbraw/zinc/67/19/18/174671918.db2.gz AXYSJDJPWBQTDT-DGCLKSJQSA-N 1 0 248.326 1.181 50 0 BDAARO COc1cc(OC)c(NC(=O)[C@H](C)[NH3+])cc1F ZINC000119029690 175007489 /nfs/dbraw/zinc/00/74/89/175007489.db2.gz VCRWWGAHLNIOSE-LURJTMIESA-N 1 0 242.250 1.129 50 0 BDAARO COc1cc([C@@H](C)[NH3+])ccc1S(C)(=O)=O ZINC000039947722 175012880 /nfs/dbraw/zinc/01/28/80/175012880.db2.gz JMWFOLYLQDCOJN-SSDOTTSWSA-N 1 0 229.301 1.118 50 0 BDAARO COc1cc2c(cc1OC)C[C@@H](C)[NH2+]C2 ZINC000004262281 175024455 /nfs/dbraw/zinc/02/44/55/175024455.db2.gz SRXUBSWMMKWIBE-MRVPVSSYSA-N 1 0 207.273 1.738 50 0 BDAARO COc1ccc(-c2nnc([C@H]3CC[NH2+]C3)o2)cc1 ZINC000049170080 175042023 /nfs/dbraw/zinc/04/20/23/175042023.db2.gz ZTIKEYXZRPGFEB-JTQLQIEISA-N 1 0 245.282 1.822 50 0 biogenic,in-vitro BDAARO COc1ccc(C(=O)OC[C@H]2CCC[NH2+]C2)cc1 ZINC000042768871 175065157 /nfs/dbraw/zinc/06/51/57/175065157.db2.gz QGXNQEMYQMZNOO-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO COc1ccc(C(=O)O[C@H](C)C[NH+](C)C)cc1 ZINC000000215701 175065247 /nfs/dbraw/zinc/06/52/47/175065247.db2.gz JINHIODLNSNPKR-SNVBAGLBSA-N 1 0 237.299 1.802 50 0 biogenic BDAARO COc1ccc(C)cc1-n1cnnc1C[NH3+] ZINC000067713759 175072837 /nfs/dbraw/zinc/07/28/37/175072837.db2.gz AYNYWNWGIMZTET-UHFFFAOYSA-N 1 0 218.260 1.043 50 0 BDAARO COc1ccc(C[NH3+])c(OC(F)F)c1 ZINC000040888160 175097650 /nfs/dbraw/zinc/09/76/50/175097650.db2.gz UJXXXXSYTLMOFI-UHFFFAOYSA-N 1 0 203.188 1.755 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cn1 ZINC000267194759 175099977 /nfs/dbraw/zinc/09/99/77/175099977.db2.gz IDDHSUNUAPQXAE-NSHDSACASA-N 1 0 222.288 1.047 50 0 BDAARO COc1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000000279562 175106126 /nfs/dbraw/zinc/10/61/26/175106126.db2.gz NDKSBLMWVDRHHO-UHFFFAOYSA-N 1 0 234.343 1.879 50 0 BDAARO COc1ccc(C[NH2+]CCO)cc1Cl ZINC000020927884 175106636 /nfs/dbraw/zinc/10/66/36/175106636.db2.gz RIWXCTYSUAPDDV-UHFFFAOYSA-N 1 0 215.680 1.431 50 0 BDAARO COc1ccc(C[NH2+]CCN(C)C)cc1Cl ZINC000020967692 175106712 /nfs/dbraw/zinc/10/67/12/175106712.db2.gz MKXNVUGJIGBXBS-UHFFFAOYSA-N 1 0 242.750 2.000 50 0 BDAARO COc1ccc([C@@H]2[C@H](CO)CC[N@@H+]2C)cc1 ZINC000101398077 175186488 /nfs/dbraw/zinc/18/64/88/175186488.db2.gz BNBDNQGLPMOONQ-WCQYABFASA-N 1 0 221.300 1.680 50 0 BDAARO COc1ccc([C@](C)(O)[C@@H]2CCC[NH2+]2)cc1 ZINC000069842456 175199676 /nfs/dbraw/zinc/19/96/76/175199676.db2.gz XAJLILFYLVEXSH-STQMWFEESA-N 1 0 221.300 1.655 50 0 BDAARO COc1ccc2c(c1)N1CC[NH+]=C1N2C ZINC000100657030 175211451 /nfs/dbraw/zinc/21/14/51/175211451.db2.gz BWXIMBKIVFMARG-UHFFFAOYSA-N 1 0 203.245 1.321 50 0 BDAARO COc1ccc2c(c1)OC(C)(C)[C@H]([NH3+])C2 ZINC000095918224 175212517 /nfs/dbraw/zinc/21/25/17/175212517.db2.gz ZHRSTDAYULTBQD-LLVKDONJSA-N 1 0 207.273 1.736 50 0 BDAARO COc1cccc(C2(O)CC[NH2+]CC2)c1 ZINC000000811127 175248785 /nfs/dbraw/zinc/24/87/85/175248785.db2.gz ACKHHBDZZHPXKZ-UHFFFAOYSA-N 1 0 207.273 1.266 50 0 BDAARO COc1cccc(CC[NH+]2CCCC2)c1N ZINC000000154212 175251681 /nfs/dbraw/zinc/25/16/81/175251681.db2.gz QXJOLMXARSDYNA-UHFFFAOYSA-N 1 0 220.316 1.916 50 0 BDAARO COc1cccc(C[NH2+]C[C@@H](C)O)c1OC ZINC000000249564 175264293 /nfs/dbraw/zinc/26/42/93/175264293.db2.gz KQOPFKSHQYCYNR-SECBINFHSA-N 1 0 225.288 1.174 50 0 BDAARO COc1cccc(C[C@@]2(CO)CCC[NH2+]C2)c1 ZINC000020444480 175271304 /nfs/dbraw/zinc/27/13/04/175271304.db2.gz QJJARMBDPBKROI-AWEZNQCLSA-N 1 0 235.327 1.600 50 0 BDAARO COc1cccc(N2CC[C@@H](C[NH3+])C2)c1 ZINC000011891660 175275387 /nfs/dbraw/zinc/27/53/87/175275387.db2.gz IVKRKJIBAHHXRF-JTQLQIEISA-N 1 0 206.289 1.480 50 0 BDAARO COc1cccc(NC[C@@H]2CCC[NH2+]2)c1 ZINC000019878357 175279221 /nfs/dbraw/zinc/27/92/21/175279221.db2.gz MGUVLNNQQPOZBC-NSHDSACASA-N 1 0 206.289 1.859 50 0 BDAARO COc1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000014632417 175284205 /nfs/dbraw/zinc/28/42/05/175284205.db2.gz LPKYNBRKPVLGDN-SNVBAGLBSA-N 1 0 207.273 1.684 50 0 BDAARO COc1cccc([C@H](C)N2CC[NH2+]CC2)c1 ZINC000020264309 175292880 /nfs/dbraw/zinc/29/28/80/175292880.db2.gz WQVUGNKAOOHKAL-NSHDSACASA-N 1 0 220.316 1.661 50 0 BDAARO COc1ccccc1CO[C@H]1CCC[NH2+]C1 ZINC000014631580 175332164 /nfs/dbraw/zinc/33/21/64/175332164.db2.gz SBSYXEBFPMSEJI-LBPRGKRZSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccccc1OC[C@@H](O)C[NH2+]C(C)C ZINC000001999512 175341769 /nfs/dbraw/zinc/34/17/69/175341769.db2.gz LFTFGCDECFPSQD-NSHDSACASA-N 1 0 239.315 1.433 50 0 world BDAARO COc1ccccc1[C@H](O)Cc1cc[n+](C)cc1 ZINC000000369333 175354704 /nfs/dbraw/zinc/35/47/04/175354704.db2.gz JNTIJYWTJIVWBI-CQSZACIVSA-N 1 0 244.314 1.796 50 0 BDAARO CSc1nc(-c2ccccc2)c[n+](C)n1 ZINC000001560296 175586608 /nfs/dbraw/zinc/58/66/08/175586608.db2.gz HFWDQBLOBYNNLE-UHFFFAOYSA-N 1 0 218.305 1.690 50 0 BDAARO C[C@@H]([NH2+]CC(C)(C)O)[C@H](C)n1cccn1 ZINC000069493314 176011413 /nfs/dbraw/zinc/01/14/13/176011413.db2.gz SFAXRQFPSLQWQQ-ZJUUUORDSA-N 1 0 211.309 1.193 50 0 BDAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@H](CO)C1 ZINC000097372967 176076652 /nfs/dbraw/zinc/07/66/52/176076652.db2.gz SVLQQXIJPAJIMQ-UPJWGTAASA-N 1 0 227.348 1.506 50 0 BDAARO C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000237390385 176089230 /nfs/dbraw/zinc/08/92/30/176089230.db2.gz KYNCUGOBBODYQY-IJLUTSLNSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)[C@@H]1C[NH3+] ZINC000226751741 176092352 /nfs/dbraw/zinc/09/23/52/176092352.db2.gz XSKJHARKBMIJML-IJLUTSLNSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000014193770 176096344 /nfs/dbraw/zinc/09/63/44/176096344.db2.gz USOZYHVFGPQFPQ-LLVKDONJSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1ccncc1 ZINC000069771942 176222428 /nfs/dbraw/zinc/22/24/28/176222428.db2.gz ZKWVYCKUMQPJEW-YPMHNXCESA-N 1 0 247.342 1.210 50 0 BDAARO C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)CC(C)(C)O1 ZINC000062902957 176259078 /nfs/dbraw/zinc/25/90/78/176259078.db2.gz VBTNZRDTPAVZNO-ZWNOBZJWSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@@H](C)O1 ZINC000017147610 176297044 /nfs/dbraw/zinc/29/70/44/176297044.db2.gz SSOPCJHJRAAACK-YRGRVCCFSA-N 1 0 235.327 1.829 50 0 BDAARO C[C@@H]1C[NH2+]CCN(C(=O)OC(C)(C)C)C1 ZINC000067175853 176326169 /nfs/dbraw/zinc/32/61/69/176326169.db2.gz KPOYZVQMOOKKQV-SECBINFHSA-N 1 0 214.309 1.463 50 0 BDAARO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccncc2)no1 ZINC000111256241 176329736 /nfs/dbraw/zinc/32/97/36/176329736.db2.gz XARGNYUKDIPGML-PSASIEDQSA-N 1 0 230.271 1.455 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000242263385 176385416 /nfs/dbraw/zinc/38/54/16/176385416.db2.gz XYOHEPPCIUBUHN-CHWFTXMASA-N 1 0 210.321 1.228 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046995558 176386659 /nfs/dbraw/zinc/38/66/59/176386659.db2.gz XBIRKIVJDHTDAJ-WRWGMCAJSA-N 1 0 222.332 1.385 50 0 BDAARO C[C@H]([NH3+])c1ccc(Br)nc1 ZINC000044138908 176775350 /nfs/dbraw/zinc/77/53/50/176775350.db2.gz COGGCXWSBTVYEV-YFKPBYRVSA-N 1 0 201.067 1.864 50 0 BDAARO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229582647 177008665 /nfs/dbraw/zinc/00/86/65/177008665.db2.gz TVYUXIAPFMRNSM-AEGPPILISA-N 1 0 249.354 1.955 50 0 BDAARO C[C@H](c1ccncc1)N1CCC([NH3+])CC1 ZINC000020521508 177051272 /nfs/dbraw/zinc/05/12/72/177051272.db2.gz BSKFVHPAVOWLBA-SNVBAGLBSA-N 1 0 205.305 1.566 50 0 BDAARO C[C@H]1CCCN(C(=O)C2CCC2)[C@H]1C[NH3+] ZINC000069726573 177091082 /nfs/dbraw/zinc/09/10/82/177091082.db2.gz TWHODMUGBDIUMO-ONGXEEELSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@H]1CO ZINC000334579023 177159489 /nfs/dbraw/zinc/15/94/89/177159489.db2.gz NIDJZPNUIOLXPR-WPRPVWTQSA-N 1 0 219.275 1.734 50 0 BDAARO C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)c2ccccc21 ZINC000187436118 177225038 /nfs/dbraw/zinc/22/50/38/177225038.db2.gz VIJGAVOZHNBSJC-GXFFZTMASA-N 1 0 246.310 1.125 50 0 BDAARO C[C@H]([NH3+])C(=O)N1C[C@@H](C)CN(C)c2ccccc21 ZINC000154735124 177240139 /nfs/dbraw/zinc/24/01/39/177240139.db2.gz XZVQHRQGOCHBGS-QWRGUYRKSA-N 1 0 247.342 1.453 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000002386540 177283125 /nfs/dbraw/zinc/28/31/25/177283125.db2.gz DATRVIMZZZVHMP-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 in-vitro BDAARO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C[NH3+] ZINC000237541715 177338536 /nfs/dbraw/zinc/33/85/36/177338536.db2.gz AOLYASDGYQUFIV-GXSJLCMTSA-N 1 0 236.290 1.489 50 0 BDAARO C[C@H]1C[C@H](C)CN(C(=O)n2cc[n+](C)c2)C1 ZINC000032628677 177357971 /nfs/dbraw/zinc/35/79/71/177357971.db2.gz YNEFSKHVKXFIMW-QWRGUYRKSA-N 1 0 222.312 1.259 50 0 BDAARO C[C@H]1Cc2ccccc2N1C(=O)Cn1ccnc1 ZINC000032860167 177389876 /nfs/dbraw/zinc/38/98/76/177389876.db2.gz DDODBGRGQYVCJU-NSHDSACASA-N 1 0 241.294 1.861 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OC[C@H]1CCOC1 ZINC000088273548 487714901 /nfs/dbraw/zinc/71/49/01/487714901.db2.gz KCPNATFHWIZSBD-RYUDHWBXSA-N 1 0 243.347 1.577 50 0 BDAARO Cc1cc[nH+]c(NC[C@@H](CO)[C@@H]2CCOC2)c1 ZINC000684601893 487945024 /nfs/dbraw/zinc/94/50/24/487945024.db2.gz JIZYWIPXJSTKCP-NEPJUHHUSA-N 1 0 236.315 1.447 50 0 BDAARO c1c[nH]c(CC[NH2+]C2CSCCSC2)n1 ZINC000534578693 323153847 /nfs/dbraw/zinc/15/38/47/323153847.db2.gz CCTRCXXMBQIAGK-UHFFFAOYSA-N 1 0 243.401 1.390 50 0 BDAARO CC1(NC(=O)[C@]2(C)CCCCO2)CC[NH2+]CC1 ZINC000534580404 323153871 /nfs/dbraw/zinc/15/38/71/323153871.db2.gz CUIWFVZUFHQFNC-ZDUSSCGKSA-N 1 0 240.347 1.204 50 0 BDAARO [NH3+]CC[C@@H]1CCCN(c2noc(C3CC3)n2)C1 ZINC000534588930 323154276 /nfs/dbraw/zinc/15/42/76/323154276.db2.gz ZSIWYTYZSZEFKQ-VIFPVBQESA-N 1 0 236.319 1.512 50 0 BDAARO CN(C/C=C/c1ccccc1)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000534588346 323154359 /nfs/dbraw/zinc/15/43/59/323154359.db2.gz PVTYTVDCYYNJGG-MRZGDXHCSA-N 1 0 242.322 1.686 50 0 BDAARO Cc1nc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)sc1C ZINC000534631050 323156847 /nfs/dbraw/zinc/15/68/47/323156847.db2.gz ZNLLAFAKZNPJAX-WDEREUQCSA-N 1 0 237.372 1.554 50 0 BDAARO [NH3+][C@H]1CCN(Cc2cccc(F)c2F)C1=O ZINC000084942358 323237324 /nfs/dbraw/zinc/23/73/24/323237324.db2.gz FLXOUOWGUXWXOY-VIFPVBQESA-N 1 0 226.226 1.024 50 0 BDAARO Cc1nccc(C[C@@H]2CCC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000245204452 324200279 /nfs/dbraw/zinc/20/02/79/324200279.db2.gz BIVAKOCSMKQQMP-OBJOEFQTSA-N 1 0 231.343 1.963 50 0 BDAARO CC[C@@H]1C(=O)NCC[N@H+]1C[C@@](C)(OC)C1CC1 ZINC000585117659 487502584 /nfs/dbraw/zinc/50/25/84/487502584.db2.gz QFMNRFFOZMXUSK-DGCLKSJQSA-N 1 0 240.347 1.012 50 0 BDAARO CC[N@H+](C)[C@H](C)C(=O)NCCC1(O)CCCC1 ZINC000670465588 487519327 /nfs/dbraw/zinc/51/93/27/487519327.db2.gz SBTFPMJPAGHCSB-LLVKDONJSA-N 1 0 242.363 1.138 50 0 BDAARO C[C@H](NC(=O)c1ccc[nH]1)C(C)(C)C[NH+](C)C ZINC000085290015 488158051 /nfs/dbraw/zinc/15/80/51/488158051.db2.gz XBIALINELMAHBV-JTQLQIEISA-N 1 0 237.347 1.721 50 0 BDAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1 ZINC000089857878 487877196 /nfs/dbraw/zinc/87/71/96/487877196.db2.gz HUCCLJWMKGZRPS-GJZGRUSLSA-N 1 0 240.306 1.830 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]CC[C@H]21 ZINC000066309112 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ZINC000071372320 592266007 /nfs/dbraw/zinc/26/60/07/592266007.db2.gz LKKXFOJWYTZUTH-AAEUAGOBSA-N 1 0 220.316 1.235 50 0 BDAARO [NH3+][C@H](c1ccsc1)[C@]1(O)CCSC1 ZINC000958528736 635551403 /nfs/dbraw/zinc/55/14/03/635551403.db2.gz TXKHEHSOKFDGFJ-BDAKNGLRSA-N 1 0 215.343 1.616 50 0 BDAARO c1cncc(CCCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252503710 635709224 /nfs/dbraw/zinc/70/92/24/635709224.db2.gz VFXRRTOOAVTEKM-HNNXBMFYSA-N 1 0 245.370 1.794 50 0 BDAARO CC(C)N1CC[N@@H+](C2CCCC2)C[C@H]1CCO ZINC000247963361 635667277 /nfs/dbraw/zinc/66/72/77/635667277.db2.gz AOSLOJJGQWCUCR-CQSZACIVSA-N 1 0 240.391 1.706 50 0 BDAARO CC(C)(C)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000070266513 642428728 /nfs/dbraw/zinc/42/87/28/642428728.db2.gz BATBBWMKUVUXPK-NSHDSACASA-N 1 0 224.348 1.729 50 0 BDAARO Nc1cncc(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067909691 642716654 /nfs/dbraw/zinc/71/66/54/642716654.db2.gz AQQYXFNBWMGHQM-GFCCVEGCSA-N 1 0 241.294 1.593 50 0 BDAARO c1csc(N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000067883909 642717856 /nfs/dbraw/zinc/71/78/56/642717856.db2.gz QQDXTDZAKBGBSK-UHFFFAOYSA-N 1 0 223.345 1.723 50 0 BDAARO c1cncc([C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)c1 ZINC000000187191 642750961 /nfs/dbraw/zinc/75/09/61/642750961.db2.gz AJFBYQYWGNVXSV-UONOGXRCSA-N 1 0 248.326 1.982 50 0 BDAARO CCCN1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000000757685 642804609 /nfs/dbraw/zinc/80/46/09/642804609.db2.gz ACCUNGAPAYSHEG-CQSZACIVSA-N 1 0 240.391 1.708 50 0 BDAARO c1ccc([C@H]2NCC[N@@H+]3CCC[C@H]23)cc1 ZINC000022035044 643405612 /nfs/dbraw/zinc/40/56/12/643405612.db2.gz WLVJVWZEFAATBB-CHWSQXEVSA-N 1 0 202.301 1.795 50 0 BDAARO CC(C)N(C)C[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000952974744 644446160 /nfs/dbraw/zinc/44/61/60/644446160.db2.gz OXVHLZAAOOYZPM-LLVKDONJSA-N 1 0 224.352 1.271 50 0 BDAARO [NH3+][C@@H](C1CCCC1)C1(O)CC(CF)(CF)C1 ZINC000958527684 644805878 /nfs/dbraw/zinc/80/58/78/644805878.db2.gz DPSWISQTIQTWJL-JTQLQIEISA-N 1 0 233.302 1.954 50 0 BDAARO [NH3+][C@H](C1CCC1)C1(O)CCSCC1 ZINC000958527940 644806086 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/nfs/dbraw/zinc/78/11/04/342781104.db2.gz KBOJIDBRNDVQJF-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO CCOc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000011754443 342842909 /nfs/dbraw/zinc/84/29/09/342842909.db2.gz FCDIGHCGJHTCJX-LBPRGKRZSA-N 1 0 234.299 1.776 50 0 BDAARO COc1cc(Cl)c(C)cc1NC(=O)CC[NH3+] ZINC000011755272 342843120 /nfs/dbraw/zinc/84/31/20/342843120.db2.gz XGAWIKZSQKNGLU-UHFFFAOYSA-N 1 0 242.706 1.944 50 0 BDAARO [NH3+][C@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920019 342844517 /nfs/dbraw/zinc/84/45/17/342844517.db2.gz AKPDJEPRKHDIBX-ZETCQYMHSA-N 1 0 226.226 1.024 50 0 BDAARO Fc1ccc2nc(N3CC[NH2+]CC3)sc2c1 ZINC000011919932 342844559 /nfs/dbraw/zinc/84/45/59/342844559.db2.gz SAAAUUMNBLXAFT-UHFFFAOYSA-N 1 0 237.303 1.845 50 0 BDAARO CC(C)(C)OC(=O)NC1(C(N)=[NH2+])CCCC1 ZINC000042463084 362002574 /nfs/dbraw/zinc/00/25/74/362002574.db2.gz LLLZGORJBDWVBF-UHFFFAOYSA-N 1 0 227.308 1.760 50 0 BDAARO O=c1[nH]c(-c2ccccc2)cn1C1CC[NH2+]CC1 ZINC000012359760 342850077 /nfs/dbraw/zinc/85/00/77/342850077.db2.gz OPCVKWIYGHICKG-UHFFFAOYSA-N 1 0 243.310 1.768 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@H]2C1 ZINC000012506753 342852883 /nfs/dbraw/zinc/85/28/83/342852883.db2.gz TUIAJQPTVCSWOB-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO C[C@@]1(c2ccccc2)CCC[N@H+](CCC(N)=O)C1 ZINC000091965268 398303969 /nfs/dbraw/zinc/30/39/69/398303969.db2.gz HIGUWDNQTQIIQS-OAHLLOKOSA-N 1 0 246.354 1.916 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000013566383 342867969 /nfs/dbraw/zinc/86/79/69/342867969.db2.gz FNFYZMMJAMAITB-RKDXNWHRSA-N 1 0 204.273 1.311 50 0 BDAARO CC(C)[N@H+](CCC(=O)NC1CC1)C1CC1 ZINC000032804046 342876869 /nfs/dbraw/zinc/87/68/69/342876869.db2.gz QHDRUXJZLFUKGV-UHFFFAOYSA-N 1 0 210.321 1.528 50 0 BDAARO Clc1ncccc1O[C@H]1CCC[NH2+]C1 ZINC000014631797 342883329 /nfs/dbraw/zinc/88/33/29/342883329.db2.gz MTWIRWGGSHIDHZ-QMMMGPOBSA-N 1 0 212.680 1.866 50 0 BDAARO COc1cc(CC(=[NH2+])NO)cc(OC)c1OC ZINC000014807431 342887778 /nfs/dbraw/zinc/88/77/78/342887778.db2.gz JFNDPKDCLLMJON-UHFFFAOYSA-N 1 0 240.259 1.211 50 0 BDAARO Cc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000019201107 342943415 /nfs/dbraw/zinc/94/34/15/342943415.db2.gz GZRKBYUICLDFCD-AWEZNQCLSA-N 1 0 233.359 1.242 50 0 BDAARO O=C(c1c(F)cccc1F)N1CC[NH2+]CC1 ZINC000019263615 342945035 /nfs/dbraw/zinc/94/50/35/342945035.db2.gz WFDYOKBYDJIGLN-UHFFFAOYSA-N 1 0 226.226 1.010 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000053145044 178469473 /nfs/dbraw/zinc/46/94/73/178469473.db2.gz XMOCDNAROYLOLO-CYBMUJFWSA-N 1 0 246.354 1.653 50 0 BDAARO Cc1ccsc1C[NH+]1CCN(C)CC1 ZINC000019536143 342951516 /nfs/dbraw/zinc/95/15/16/342951516.db2.gz NVJMIBYMKVPHAY-UHFFFAOYSA-N 1 0 210.346 1.804 50 0 BDAARO CN(C)c1ccc([C@H]2CCC[NH2+]C2)nc1 ZINC000019686624 342954198 /nfs/dbraw/zinc/95/41/98/342954198.db2.gz XIVYSBDUWQQLAL-JTQLQIEISA-N 1 0 205.305 1.615 50 0 BDAARO CC(C)[NH+]1CCN(Cc2ccco2)CC1 ZINC000019842524 342959305 /nfs/dbraw/zinc/95/93/05/342959305.db2.gz STDSAJCMQHNLAF-UHFFFAOYSA-N 1 0 208.305 1.806 50 0 BDAARO COc1cc(C[NH2+]C2CC2)cc(OC)c1 ZINC000019840830 342959609 /nfs/dbraw/zinc/95/96/09/342959609.db2.gz BTBDLUOYLCXSMK-UHFFFAOYSA-N 1 0 207.273 1.956 50 0 BDAARO Cc1cc(CCC2(O)CC[NH2+]CC2)on1 ZINC000019927070 342963477 /nfs/dbraw/zinc/96/34/77/342963477.db2.gz XVELIFOFOVKLCQ-UHFFFAOYSA-N 1 0 210.277 1.030 50 0 BDAARO Cn1ccnc1C[C@H]([NH3+])c1ccccc1 ZINC000020442313 342985344 /nfs/dbraw/zinc/98/53/44/342985344.db2.gz FCQJZGCFXNHCHP-NSHDSACASA-N 1 0 201.273 1.663 50 0 BDAARO C[NH+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000022028684 343037016 /nfs/dbraw/zinc/03/70/16/343037016.db2.gz SOTUMZCQANFRAM-ZDUSSCGKSA-N 1 0 204.317 1.823 50 0 BDAARO CC(C)N(C)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022219209 343044790 /nfs/dbraw/zinc/04/47/90/343044790.db2.gz VMZWKPUZWKGSLW-UHFFFAOYSA-N 1 0 242.344 1.174 50 0 BDAARO CC[NH+]1CCN(C(=O)/C=C/c2ccc(C)o2)CC1 ZINC000012408866 343052323 /nfs/dbraw/zinc/05/23/23/343052323.db2.gz JDDDFGSICKRJDW-VOTSOKGWSA-N 1 0 248.326 1.765 50 0 BDAARO Cc1cc(N[C@H](C)[C@@H](C)n2cccn2)nc(N)[nH+]1 ZINC000072269686 343116834 /nfs/dbraw/zinc/11/68/34/343116834.db2.gz OPBZFKHXXORSRH-NXEZZACHSA-N 1 0 246.318 1.625 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000022455224 343140169 /nfs/dbraw/zinc/14/01/69/343140169.db2.gz HAFDVCGIMRQIPE-NEPJUHHUSA-N 1 0 212.337 1.097 50 0 BDAARO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ncnn1C ZINC000095968760 343155207 /nfs/dbraw/zinc/15/52/07/343155207.db2.gz YHPAGHIITROUNT-UWVGGRQHSA-N 1 0 222.336 1.729 50 0 BDAARO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC1 ZINC000150688113 136273527 /nfs/dbraw/zinc/27/35/27/136273527.db2.gz AEUXIDISODZGBX-WDEREUQCSA-N 1 0 210.321 1.563 50 0 BDAARO C[C@H]1C[C@H]1c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573265 136280993 /nfs/dbraw/zinc/28/09/93/136280993.db2.gz LBBHKSIASQLRNT-WCBMZHEXSA-N 1 0 221.304 1.735 50 0 BDAARO [NH3+][C@H](CO)c1ccc(Cl)cc1Cl ZINC000034384617 343268979 /nfs/dbraw/zinc/26/89/79/343268979.db2.gz VWMOCFARWTYBNT-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO C[C@H]1CCC[C@@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757647 343269975 /nfs/dbraw/zinc/26/99/75/343269975.db2.gz YBANFNLAJNEODD-CMPLNLGQSA-N 1 0 224.348 1.762 50 0 BDAARO COC(=O)CC[C@]1(C)CN(C)[C@@H](C)CC1=O ZINC000016511778 343271219 /nfs/dbraw/zinc/27/12/19/343271219.db2.gz KIOGZDPPKUPOPV-JOYOIKCWSA-N 1 0 227.304 1.239 50 0 BDAARO CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000022574449 343272381 /nfs/dbraw/zinc/27/23/81/343272381.db2.gz HDPYXEGJWPVSKX-UHFFFAOYSA-N 1 0 216.328 1.401 50 0 BDAARO COC(=O)C[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000034624264 343276322 /nfs/dbraw/zinc/27/63/22/343276322.db2.gz YHEMYXIJYAOAST-ZDUSSCGKSA-N 1 0 248.326 1.024 50 0 BDAARO COCC(C)(C)CNC(=O)CC1CC[NH2+]CC1 ZINC000310330880 343279700 /nfs/dbraw/zinc/27/97/00/343279700.db2.gz KANUTVRXIXHADY-UHFFFAOYSA-N 1 0 242.363 1.165 50 0 BDAARO Cc1ccc([C@H](C[NH3+])N2CCOCC2)s1 ZINC000036906717 343327610 /nfs/dbraw/zinc/32/76/10/343327610.db2.gz SHUIZRBEIRLXDQ-JTQLQIEISA-N 1 0 226.345 1.389 50 0 BDAARO C[C@H](OC(C)(C)C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1 ZINC000072233381 343355723 /nfs/dbraw/zinc/35/57/23/343355723.db2.gz MOQSXZMCEOQADU-QJPTWQEYSA-N 1 0 226.364 1.626 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000037823110 343357005 /nfs/dbraw/zinc/35/70/05/343357005.db2.gz KEANJZSYMOYLBE-CYBMUJFWSA-N 1 0 246.310 1.029 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)CN1CCCC1 ZINC000038536675 343376234 /nfs/dbraw/zinc/37/62/34/343376234.db2.gz YDLCAQYNXGDYTM-ZDUSSCGKSA-N 1 0 204.317 1.652 50 0 BDAARO C[C@H](C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000037245793 343340868 /nfs/dbraw/zinc/34/08/68/343340868.db2.gz KTRIMZPQYWSEMI-MRVPVSSYSA-N 1 0 213.302 1.152 50 0 BDAARO OC1(c2ccccn2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000670473119 487535330 /nfs/dbraw/zinc/53/53/30/487535330.db2.gz MKVPNVZMEDUACL-GFCCVEGCSA-N 1 0 248.326 1.154 50 0 BDAARO C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000039091282 343382000 /nfs/dbraw/zinc/38/20/00/343382000.db2.gz ZAAYKTCDODPVPD-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]CC12CCC2 ZINC000039186911 343386518 /nfs/dbraw/zinc/38/65/18/343386518.db2.gz HKOSEKNVWYWWGV-SECBINFHSA-N 1 0 226.320 1.653 50 0 BDAARO CC1(C)CN(Cc2ccccc2)CC[NH2+]1 ZINC000041213198 343416757 /nfs/dbraw/zinc/41/67/57/343416757.db2.gz PODCZDOPRYMUSK-UHFFFAOYSA-N 1 0 204.317 1.870 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000042750239 343450809 /nfs/dbraw/zinc/45/08/09/343450809.db2.gz OGAFPCPHUIPWEO-CYBMUJFWSA-N 1 0 240.347 1.997 50 0 BDAARO O=C(OCC1CC[NH2+]CC1)C1CCCC1 ZINC000042769353 343451104 /nfs/dbraw/zinc/45/11/04/343451104.db2.gz RSRXLWQVGNOVGJ-UHFFFAOYSA-N 1 0 211.305 1.719 50 0 BDAARO CC(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)cc1 ZINC000042771470 343451581 /nfs/dbraw/zinc/45/15/81/343451581.db2.gz UXHWTRAMCKOQMJ-LLVKDONJSA-N 1 0 219.284 1.878 50 0 BDAARO Cn1ccnc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471618 343474710 /nfs/dbraw/zinc/47/47/10/343474710.db2.gz GWDHIPVROCENHN-SECBINFHSA-N 1 0 211.334 1.512 50 0 BDAARO Cn1ccnc1SC[C@H]1CCC[NH2+]C1 ZINC000043471619 343474745 /nfs/dbraw/zinc/47/47/45/343474745.db2.gz GWDHIPVROCENHN-VIFPVBQESA-N 1 0 211.334 1.512 50 0 BDAARO CC(C)c1noc(CC2CC[NH2+]CC2)n1 ZINC000045893414 343535668 /nfs/dbraw/zinc/53/56/68/343535668.db2.gz XAOAYKBMXLDZNF-UHFFFAOYSA-N 1 0 209.293 1.735 50 0 BDAARO CC1(C)C(NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000086240713 343615547 /nfs/dbraw/zinc/61/55/47/343615547.db2.gz OTHGKSDWUQXVEG-QMMMGPOBSA-N 1 0 210.321 1.289 50 0 BDAARO CC[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000096452815 343742220 /nfs/dbraw/zinc/74/22/20/343742220.db2.gz RDQFWOVOHYJPSJ-YPMHNXCESA-N 1 0 243.347 1.027 50 0 BDAARO CC[C@@H](O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000096502734 343753992 /nfs/dbraw/zinc/75/39/92/343753992.db2.gz AIIIIAIJRGKZPA-GMTAPVOTSA-N 1 0 201.310 1.305 50 0 BDAARO O=C(NCc1cc(Cl)ccn1)[C@H]1CCC[NH2+]1 ZINC000097234176 344102511 /nfs/dbraw/zinc/10/25/11/344102511.db2.gz YMFUPERQFJXVTE-SNVBAGLBSA-N 1 0 239.706 1.103 50 0 BDAARO COc1cccc(C[NH2+]CC2OCCCO2)c1 ZINC000585137173 344149024 /nfs/dbraw/zinc/14/90/24/344149024.db2.gz LDQKGYLIUPMFET-UHFFFAOYSA-N 1 0 237.299 1.548 50 0 BDAARO CCc1cnc(N(C)C[C@H]2CCCC[N@@H+]2C)nc1 ZINC000095371152 344335275 /nfs/dbraw/zinc/33/52/75/344335275.db2.gz NMTKZSVNHXYJAV-CYBMUJFWSA-N 1 0 248.374 1.960 50 0 BDAARO C[C@H]1CCC[N@H+](CCOC(C)(C)C)[C@H]1CO ZINC000110699808 345690774 /nfs/dbraw/zinc/69/07/74/345690774.db2.gz KZYPVBJSAGRHSP-RYUDHWBXSA-N 1 0 229.364 1.894 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)COC ZINC000061745534 345904643 /nfs/dbraw/zinc/90/46/43/345904643.db2.gz YUSUERYQLDEGLG-NWDGAFQWSA-N 1 0 242.363 1.402 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000685939518 537928297 /nfs/dbraw/zinc/92/82/97/537928297.db2.gz NFLYKUNPBFDIJV-QMVSFRDZSA-N 1 0 248.370 1.585 50 0 BDAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CC(N)=O)[C@@H]12 ZINC000685945196 537935256 /nfs/dbraw/zinc/93/52/56/537935256.db2.gz GNVFJLRIGNOVOF-SCVCMEIPSA-N 1 0 210.321 1.372 50 0 BDAARO [NH3+][C@@H]1Cc2n[nH]cc2[C@H](C(F)(F)F)C1 ZINC000685944680 537934701 /nfs/dbraw/zinc/93/47/01/537934701.db2.gz NYGXCMYDQWYVCJ-UJURSFKZSA-N 1 0 205.183 1.329 50 0 BDAARO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000005722060 346075033 /nfs/dbraw/zinc/07/50/33/346075033.db2.gz QXPOPAWVLRBGAF-WOPDTQHZSA-N 1 0 224.348 1.823 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000005722066 346075142 /nfs/dbraw/zinc/07/51/42/346075142.db2.gz QXPOPAWVLRBGAF-UTUOFQBUSA-N 1 0 224.348 1.823 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000004987590 179075928 /nfs/dbraw/zinc/07/59/28/179075928.db2.gz SQBMCTNPBWEBOQ-ZDUSSCGKSA-N 1 0 232.327 1.692 50 0 BDAARO Cc1cccc(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105472286 179094492 /nfs/dbraw/zinc/09/44/92/179094492.db2.gz PBZCXQCJXOYEJV-AWEZNQCLSA-N 1 0 234.343 1.415 50 0 BDAARO CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000098018561 346732025 /nfs/dbraw/zinc/73/20/25/346732025.db2.gz MRZDGMJFEZTNMD-UHFFFAOYSA-N 1 0 205.305 1.614 50 0 BDAARO Cc1cccc(OCCCN2CC[NH2+]CC2)c1 ZINC000019801385 179164291 /nfs/dbraw/zinc/16/42/91/179164291.db2.gz XQRPQFIUFGJJOQ-UHFFFAOYSA-N 1 0 234.343 1.669 50 0 BDAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000000280058 179171229 /nfs/dbraw/zinc/17/12/29/179171229.db2.gz FOJUPLVVORCPSM-ZDUSSCGKSA-N 1 0 235.327 1.831 50 0 BDAARO Cc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000002528773 179246883 /nfs/dbraw/zinc/24/68/83/179246883.db2.gz UWLVXFDJDRTPDH-UHFFFAOYSA-N 1 0 204.273 1.040 50 0 BDAARO Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000020055654 179298496 /nfs/dbraw/zinc/29/84/96/179298496.db2.gz NPRSRDVKENPKIM-GFCCVEGCSA-N 1 0 248.326 1.702 50 0 BDAARO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH3+] ZINC000040430851 179335377 /nfs/dbraw/zinc/33/53/77/179335377.db2.gz QHESFWGARJPJSQ-ZJUUUORDSA-N 1 0 206.289 1.519 50 0 BDAARO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH3+] ZINC000040430855 179336239 /nfs/dbraw/zinc/33/62/39/179336239.db2.gz QHESFWGARJPJSQ-UWVGGRQHSA-N 1 0 206.289 1.519 50 0 BDAARO Cc1ccccc1[C@H]([NH3+])CN1CCOCC1 ZINC000023071432 179343756 /nfs/dbraw/zinc/34/37/56/179343756.db2.gz RPJPQRYASAVQHY-CYBMUJFWSA-N 1 0 220.316 1.327 50 0 BDAARO CC(C)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000065588275 191001842 /nfs/dbraw/zinc/00/18/42/191001842.db2.gz ZARXNPGJPAKMOY-LBPRGKRZSA-N 1 0 224.348 1.633 50 0 BDAARO CCNC(=O)NC[C@@](C)([NH3+])C(C)(C)C ZINC000725255223 538050684 /nfs/dbraw/zinc/05/06/84/538050684.db2.gz WQISMMBIURCAPM-SNVBAGLBSA-N 1 0 201.314 1.069 50 0 BDAARO Cc1nc2c(ncnc2N(C)CCC[NH+](C)C)o1 ZINC000063855678 180065791 /nfs/dbraw/zinc/06/57/91/180065791.db2.gz YEGLVUHTQDNRKU-UHFFFAOYSA-N 1 0 249.318 1.314 50 0 BDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccsc1)CC2 ZINC000069778477 180113390 /nfs/dbraw/zinc/11/33/90/180113390.db2.gz AMKWFZRKGACMCE-NSHDSACASA-N 1 0 248.355 1.753 50 0 BDAARO Cc1nccn1CCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000336711418 180235691 /nfs/dbraw/zinc/23/56/91/180235691.db2.gz RFCAKSBLBVMVIO-ZDUSSCGKSA-N 1 0 237.347 1.550 50 0 BDAARO Cc1n[nH]cc1C[NH2+]CCN1CCC(C)CC1 ZINC000040447613 350364605 /nfs/dbraw/zinc/36/46/05/350364605.db2.gz AKXYFSUQXBGAHA-UHFFFAOYSA-N 1 0 236.363 1.540 50 0 BDAARO C[C@@H](CN1CCCC1=O)[NH2+]CC(C)(C)C ZINC000041051432 350409172 /nfs/dbraw/zinc/40/91/72/350409172.db2.gz MNCNEAMMGDXWRU-JTQLQIEISA-N 1 0 212.337 1.633 50 0 BDAARO CCN(C)c1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000725264790 538091647 /nfs/dbraw/zinc/09/16/47/538091647.db2.gz XELMMDLBJGPGNV-UHFFFAOYSA-N 1 0 230.315 1.992 50 0 BDAARO Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@@H]3C)cc12 ZINC000105436922 180365453 /nfs/dbraw/zinc/36/54/53/180365453.db2.gz DHSVIWYUJZLACA-QPUJVOFHSA-N 1 0 230.315 1.775 50 0 BDAARO Cc1nn(CCC[NH3+])cc1Br ZINC000002558402 180387637 /nfs/dbraw/zinc/38/76/37/180387637.db2.gz PXLXYGZGMUHEBV-UHFFFAOYSA-N 1 0 218.098 1.303 50 0 BDAARO Cc1ccc(C[N@H+]2CCc3nncn3CC2)cc1 ZINC000014988600 350606741 /nfs/dbraw/zinc/60/67/41/350606741.db2.gz WXGSNJJUBBVUQW-UHFFFAOYSA-N 1 0 242.326 1.645 50 0 BDAARO Cn1cc[n+](CCCCCC[S@@](C)=O)c1 ZINC000096024081 180680342 /nfs/dbraw/zinc/68/03/42/180680342.db2.gz GLOCUOKWMXFRIJ-HNNXBMFYSA-N 1 0 229.369 1.252 50 0 BDAARO Cn1ccc(C[NH+]2CCCCCC2)cc1=O ZINC000042112545 180691448 /nfs/dbraw/zinc/69/14/48/180691448.db2.gz VYJMZMHUVFCHCA-UHFFFAOYSA-N 1 0 220.316 1.761 50 0 BDAARO CCN1CCC[N@H+](CCC[C@H](C)O)CC1 ZINC000225353728 363135716 /nfs/dbraw/zinc/13/57/16/363135716.db2.gz FCFWWGPHKKCXDP-LBPRGKRZSA-N 1 0 214.353 1.175 50 0 BDAARO [NH3+][C@@H]1COc2c1cccc2Br ZINC000019875256 363145559 /nfs/dbraw/zinc/14/55/59/363145559.db2.gz PYXLHRQWAAAYSM-SSDOTTSWSA-N 1 0 214.062 1.841 50 0 BDAARO Cn1cnnc1SCC[C@H]1CCCC[NH2+]1 ZINC000043499389 180796707 /nfs/dbraw/zinc/79/67/07/180796707.db2.gz VFFNYBDIHGROKV-SECBINFHSA-N 1 0 226.349 1.439 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000034384620 363207280 /nfs/dbraw/zinc/20/72/80/363207280.db2.gz LXYGOSJYDNZVTO-QMMMGPOBSA-N 1 0 206.072 1.986 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CC[NH2+]C[C@H]1C ZINC000178495343 188253228 /nfs/dbraw/zinc/25/32/28/188253228.db2.gz LHBWRYPAVILGFU-SBDDDAINSA-N 1 0 244.338 1.829 50 0 BDAARO [NH3+]Cc1cccnc1-n1cnc2ccccc21 ZINC000019260434 188280569 /nfs/dbraw/zinc/28/05/69/188280569.db2.gz GXJFRPGUUIVNAL-UHFFFAOYSA-N 1 0 224.267 1.879 50 0 BDAARO c1ccc2c(c1)CC([NH+]1CCOCC1)C2 ZINC000023282292 188282889 /nfs/dbraw/zinc/28/28/89/188282889.db2.gz SEPNVQUAJQEYCQ-UHFFFAOYSA-N 1 0 203.285 1.486 50 0 BDAARO COc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000022942123 188282906 /nfs/dbraw/zinc/28/29/06/188282906.db2.gz XCAHYEUISIUALY-NSHDSACASA-N 1 0 206.289 1.228 50 0 BDAARO CC(C)=CC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000069840815 188285447 /nfs/dbraw/zinc/28/54/47/188285447.db2.gz XVYUKXUYTAKXNB-GFCCVEGCSA-N 1 0 220.320 1.709 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCSC1 ZINC000037175077 188287239 /nfs/dbraw/zinc/28/72/39/188287239.db2.gz UOHQYWMZEIRKRG-VHSXEESVSA-N 1 0 230.377 1.324 50 0 BDAARO c1cnn(CC2(C[NH2+][C@@H]3CCCNC3)CC2)c1 ZINC000067433135 188304522 /nfs/dbraw/zinc/30/45/22/188304522.db2.gz SNHHBDOAPHTFAZ-GFCCVEGCSA-N 1 0 234.347 1.005 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC12C[NH2+]C2 ZINC000095743105 188320842 /nfs/dbraw/zinc/32/08/42/188320842.db2.gz LKJGBDFOUJLYHT-QMMMGPOBSA-N 1 0 212.293 1.263 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH3+])C1 ZINC000091691278 188319297 /nfs/dbraw/zinc/31/92/97/188319297.db2.gz OTKNVRVCUGATSZ-LBPRGKRZSA-N 1 0 228.336 1.982 50 0 BDAARO CC(=O)Nc1cc2ccccc2[n+](C)c1 ZINC000001679175 188334351 /nfs/dbraw/zinc/33/43/51/188334351.db2.gz SGGYLRGFXUGCKX-UHFFFAOYSA-O 1 0 201.249 1.623 50 0 BDAARO Cc1ccc(OCCC[NH2+]CCO)c(C)c1 ZINC000002901275 188356781 /nfs/dbraw/zinc/35/67/81/188356781.db2.gz SAFXJMBTTCBXEI-UHFFFAOYSA-N 1 0 223.316 1.654 50 0 BDAARO C([C@H]1CCOC1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000336708565 188358926 /nfs/dbraw/zinc/35/89/26/188358926.db2.gz VCDLHXWNWGLPBI-JHJVBQTASA-N 1 0 225.332 1.666 50 0 BDAARO Fc1ccc(CN2CC[NH2+]CC2)c(F)c1 ZINC000022942241 180966758 /nfs/dbraw/zinc/96/67/58/180966758.db2.gz GGARUFCQRZCXHK-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO Cc1cc(N2CCO[C@@H](CF)C2)cc[nH+]1 ZINC000334658566 354454112 /nfs/dbraw/zinc/45/41/12/354454112.db2.gz IFHFMXUUTKCZAC-NSHDSACASA-N 1 0 210.252 1.565 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000405692991 354842762 /nfs/dbraw/zinc/84/27/62/354842762.db2.gz DWZMTVBMIJZWLS-YRGRVCCFSA-N 1 0 234.343 1.946 50 0 BDAARO NC(=[NH2+])NCCCOC1CCCCCCC1 ZINC000095918049 181189203 /nfs/dbraw/zinc/18/92/03/181189203.db2.gz UUCDHHHDVBPLHX-UHFFFAOYSA-N 1 0 227.352 1.989 50 0 BDAARO NC(=[NH2+])NCCOc1ccc(Cl)cc1 ZINC000002006049 181189723 /nfs/dbraw/zinc/18/97/23/181189723.db2.gz DCJWVDMQVPGGEX-UHFFFAOYSA-N 1 0 213.668 1.202 50 0 BDAARO NC(=[NH2+])NC(=[NH2+])Nc1ccc2ccccc2c1 ZINC000000470739 181188014 /nfs/dbraw/zinc/18/80/14/181188014.db2.gz RDLIBCPWPNCFBW-UHFFFAOYSA-N 1 0 227.271 1.670 50 0 BDAARO NC(=[NH2+])Nc1cccc(OC(F)F)c1 ZINC000038478254 181190689 /nfs/dbraw/zinc/19/06/89/181190689.db2.gz KKRVBGQKTCJMIY-UHFFFAOYSA-N 1 0 201.176 1.593 50 0 BDAARO NC(=[NH2+])NCc1ccc(F)cc1Cl ZINC000072329879 181190812 /nfs/dbraw/zinc/19/08/12/181190812.db2.gz WTIITEFBBUDTOU-UHFFFAOYSA-N 1 0 201.632 1.462 50 0 BDAARO CCCCC[C@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 ZINC000055158116 168746594 /nfs/dbraw/zinc/74/65/94/168746594.db2.gz YCUZPMGVUVYLFU-RYUDHWBXSA-N 1 0 242.388 1.830 50 0 biogenic BDAARO NC(=[NH2+])c1ccccc1OC(F)(F)F ZINC000000122328 181195768 /nfs/dbraw/zinc/19/57/68/181195768.db2.gz BTANPKGHNRNSDV-UHFFFAOYSA-N 1 0 204.151 1.869 50 0 BDAARO CN1CCC([NH2+]C2CCSCC2)CC1 ZINC000035120870 355836264 /nfs/dbraw/zinc/83/62/64/355836264.db2.gz IWQQMDMNXIGDLD-UHFFFAOYSA-N 1 0 214.378 1.566 50 0 BDAARO NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000008816532 181214196 /nfs/dbraw/zinc/21/41/96/181214196.db2.gz XPLUZOPBGFGZGE-UHFFFAOYSA-N 1 0 210.321 1.661 50 0 BDAARO [NH3+][C@H]1COc2ccc(Br)cc21 ZINC000008699624 356367698 /nfs/dbraw/zinc/36/76/98/356367698.db2.gz XZTALTPLRPQESS-ZETCQYMHSA-N 1 0 214.062 1.841 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000097113834 181267353 /nfs/dbraw/zinc/26/73/53/181267353.db2.gz PAFZDPYUOHVBSR-VXGBXAGGSA-N 1 0 233.315 1.215 50 0 BDAARO NC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000066472829 181267985 /nfs/dbraw/zinc/26/79/85/181267985.db2.gz GPOBOYYAZZOPIX-QWRGUYRKSA-N 1 0 208.305 1.435 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000000217812 181269764 /nfs/dbraw/zinc/26/97/64/181269764.db2.gz GFLFGLIJRVRQSR-GFCCVEGCSA-N 1 0 224.348 1.764 50 0 BDAARO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccncc1F ZINC000336207126 134132941 /nfs/dbraw/zinc/13/29/41/134132941.db2.gz XYCOFLDZHCWHIX-LLVKDONJSA-N 1 0 224.279 1.566 50 0 BDAARO C[N@H+](CC1CCC1)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000252511399 363489759 /nfs/dbraw/zinc/48/97/59/363489759.db2.gz GJULPFBKSSPPMM-NWDGAFQWSA-N 1 0 245.388 1.684 50 0 BDAARO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccn1C ZINC000075092942 356820291 /nfs/dbraw/zinc/82/02/91/356820291.db2.gz DPUUWNIDSLGAPY-CYBMUJFWSA-N 1 0 238.331 1.847 50 0 BDAARO CC(C)[N@H+](CCNC(=O)NC1CC1)C1CC1 ZINC000075127171 356858734 /nfs/dbraw/zinc/85/87/34/356858734.db2.gz MCQVAVYXHCBEIO-UHFFFAOYSA-N 1 0 225.336 1.321 50 0 BDAARO CC[NH+](CC)CCNc1ncnc2c1cnn2C ZINC000001718453 357174365 /nfs/dbraw/zinc/17/43/65/357174365.db2.gz FWNADWXPXBMOGT-UHFFFAOYSA-N 1 0 248.334 1.117 50 0 BDAARO C[NH2+]Cc1cc(-c2cccc(N)c2)n[nH]1 ZINC000685948768 538891869 /nfs/dbraw/zinc/89/18/69/538891869.db2.gz BWZKBTVEIXIOEX-UHFFFAOYSA-N 1 0 202.261 1.378 50 0 BDAARO C[C@H]1CCC[C@H](OCC(=O)N2CC[NH2+]CC2)C1 ZINC000020516159 357936601 /nfs/dbraw/zinc/93/66/01/357936601.db2.gz UVCJRMFLEDPTDY-RYUDHWBXSA-N 1 0 240.347 1.014 50 0 BDAARO CC(C)CNC(=[NH2+])NCCc1ccccc1 ZINC000052041240 358076451 /nfs/dbraw/zinc/07/64/51/358076451.db2.gz KPKBUUOTFHYIAP-UHFFFAOYSA-N 1 0 219.332 1.999 50 0 BDAARO CC(C)[C@H](CNC(=O)C1CCC1)[NH+](C)C ZINC000042030072 200655240 /nfs/dbraw/zinc/65/52/40/200655240.db2.gz MFSMMHBLNFYMAF-NSHDSACASA-N 1 0 212.337 1.489 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@@H]1C(C)=CCC[C@H]1C ZINC000249083046 361187731 /nfs/dbraw/zinc/18/77/31/361187731.db2.gz LXIXPPOSKIWXKE-MGPQQGTHSA-N 1 0 241.375 1.918 50 0 BDAARO C[C@H](C[NH2+][C@H]1CCCC1(C)C)[S@](C)=O ZINC000170062598 361386912 /nfs/dbraw/zinc/38/69/12/361386912.db2.gz XWDYMQYLCFKLFC-BFVZDQMLSA-N 1 0 217.378 1.922 50 0 BDAARO C[C@@H]1CN(C2CC(C(F)F)C2)C[C@@H](C)[NH2+]1 ZINC000170086367 361389974 /nfs/dbraw/zinc/38/99/74/361389974.db2.gz HJWYWQRVGZQMFK-LGUIWLBCSA-N 1 0 218.291 1.712 50 0 BDAARO [NH3+]C1(c2ccc(Br)cc2)CC(O)C1 ZINC000066054590 181334278 /nfs/dbraw/zinc/33/42/78/181334278.db2.gz BRHRYGHDIMFVQX-UHFFFAOYSA-N 1 0 242.116 1.758 50 0 BDAARO [NH3+]C1(c2cccc(C(F)(F)F)c2)COC1 ZINC000071792978 181335529 /nfs/dbraw/zinc/33/55/29/181335529.db2.gz RQVISRRMGVHPRR-UHFFFAOYSA-N 1 0 217.190 1.890 50 0 BDAARO [NH3+]C1(c2nc(C3CC3)cc(=O)[nH]2)CCCC1 ZINC000071009226 181334844 /nfs/dbraw/zinc/33/48/44/181334844.db2.gz NKTKWVKXIBJLTB-UHFFFAOYSA-N 1 0 219.288 1.375 50 0 BDAARO CC[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000036770001 361418289 /nfs/dbraw/zinc/41/82/89/361418289.db2.gz VVNHDJPJKOPMMB-STQMWFEESA-N 1 0 248.326 1.324 50 0 BDAARO CC[C@@H](c1ccccc1)n1c(CC[NH3+])n[nH]c1=O ZINC000065407098 361483406 /nfs/dbraw/zinc/48/34/06/361483406.db2.gz HACCUAIJHAUQDU-NSHDSACASA-N 1 0 246.314 1.072 50 0 BDAARO [NH3+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000008939845 181343910 /nfs/dbraw/zinc/34/39/10/181343910.db2.gz GCPJCVVJLVJNTM-UHFFFAOYSA-N 1 0 233.315 1.048 50 0 BDAARO [NH3+]C1CCN(C(=O)CSC(F)(F)F)CC1 ZINC000157589583 181344062 /nfs/dbraw/zinc/34/40/62/181344062.db2.gz GSRUXGGJUPYGTP-UHFFFAOYSA-N 1 0 242.266 1.189 50 0 BDAARO CC1CCC([NH3+])(CNC(=O)NC(C)(C)C)CC1 ZINC000725255139 541332277 /nfs/dbraw/zinc/33/22/77/541332277.db2.gz UJXMUBMQTZKRKV-UHFFFAOYSA-N 1 0 241.379 1.992 50 0 BDAARO CN(C(=O)[C@@H]1C[C@@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000170687900 364023781 /nfs/dbraw/zinc/02/37/81/364023781.db2.gz PKYOCHKYCMIIDT-QZQCMHJZSA-N 1 0 248.370 1.774 50 0 BDAARO CC[C@@H](OC)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000065842012 364032784 /nfs/dbraw/zinc/03/27/84/364032784.db2.gz BELCXOAPSHYPIZ-GFCCVEGCSA-N 1 0 240.347 1.154 50 0 BDAARO [NH3+]CCC(=O)Nc1nc2ccccc2s1 ZINC000019437418 181370534 /nfs/dbraw/zinc/37/05/34/181370534.db2.gz TWCZQKXKFCZZRI-UHFFFAOYSA-N 1 0 221.285 1.584 50 0 BDAARO [NH3+]CCCC(=O)N1CCC[C@H]1C1CCC1 ZINC000157378293 181371815 /nfs/dbraw/zinc/37/18/15/181371815.db2.gz XHYXWSZTCWZRQC-NSHDSACASA-N 1 0 210.321 1.516 50 0 BDAARO [NH3+]CCCC(=O)Nc1ccc2n[nH]cc2c1 ZINC000037020167 181373417 /nfs/dbraw/zinc/37/34/17/181373417.db2.gz XWEKVOLKMDWODS-UHFFFAOYSA-N 1 0 218.260 1.240 50 0 BDAARO [NH3+]CCCCN1C(=O)c2ccccc2C1=O ZINC000019274350 181376373 /nfs/dbraw/zinc/37/63/73/181376373.db2.gz GZCFMVCWRGPDLV-UHFFFAOYSA-N 1 0 218.256 1.022 50 0 BDAARO C1CC1N1CC[C@H]([NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000250877480 541441008 /nfs/dbraw/zinc/44/10/08/541441008.db2.gz UMGSGAJJBJCECI-AEGPPILISA-N 1 0 249.402 1.440 50 0 BDAARO [NH3+]CC[C@@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000020271955 181405393 /nfs/dbraw/zinc/40/53/93/181405393.db2.gz GBOVZHSRGUTWQT-ZETCQYMHSA-N 1 0 210.664 1.725 50 0 BDAARO CCCCCC[C@@H]([NH3+])COCCOC ZINC000232960295 541508612 /nfs/dbraw/zinc/50/86/12/541508612.db2.gz WZNUSOKAWGXODA-LLVKDONJSA-N 1 0 203.326 1.947 50 0 BDAARO CC[C@@](C)(NC(=O)C[NH2+]C)c1ccccc1 ZINC000225488042 370859390 /nfs/dbraw/zinc/85/93/90/370859390.db2.gz ULUYFJNFUZPXJQ-CYBMUJFWSA-N 1 0 220.316 1.647 50 0 BDAARO C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000012923636 367931155 /nfs/dbraw/zinc/93/11/55/367931155.db2.gz PWXKZEOYIGIWCG-WCQYABFASA-N 1 0 232.327 1.945 50 0 BDAARO C[C@@H](Cc1ccccc1)[n+]1cc(=[NH2+])o[n-]1 ZINC000005735329 368371457 /nfs/dbraw/zinc/37/14/57/368371457.db2.gz IHPFOUMJKIFVEX-VIFPVBQESA-N 1 0 204.253 1.178 50 0 BDAARO c1ccc2[nH]c(CCC[NH2+][C@@H]3CCOC3)nc2c1 ZINC000088693795 368381821 /nfs/dbraw/zinc/38/18/21/368381821.db2.gz OISGABZDXHPYKA-LLVKDONJSA-N 1 0 245.326 1.874 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000328596367 181463405 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/nfs/dbraw/zinc/38/38/81/371383881.db2.gz YCIMVFRVDXCXDH-UHFFFAOYSA-N 1 0 207.273 1.747 50 0 BDAARO O=C(/C=C\c1ccccc1F)N1CC[NH2+]CC1 ZINC000606441716 372102084 /nfs/dbraw/zinc/10/20/84/372102084.db2.gz BZSFEHTXSBFEPQ-WAYWQWQTSA-N 1 0 234.274 1.271 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C\c2ccccn2)C[C@H](C)[NH2+]1 ZINC000606441965 372103386 /nfs/dbraw/zinc/10/33/86/372103386.db2.gz SOZVITYTAFQRKW-MRJODMTISA-N 1 0 245.326 1.304 50 0 BDAARO O=C(C[NH2+]CC1CC1)N1CCc2ccccc2C1 ZINC000037611945 181977218 /nfs/dbraw/zinc/97/72/18/181977218.db2.gz AROIPIDEXUTOEF-UHFFFAOYSA-N 1 0 244.338 1.571 50 0 BDAARO O=C(C[C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000238853792 182019641 /nfs/dbraw/zinc/01/96/41/182019641.db2.gz LCVZDXWQCIJGNN-LLVKDONJSA-N 1 0 210.321 1.389 50 0 BDAARO O=C(NC1CC1)c1csc2c1CC[NH2+]C2 ZINC000012428272 182102117 /nfs/dbraw/zinc/10/21/17/182102117.db2.gz SUCMJLORUBTBAO-UHFFFAOYSA-N 1 0 222.313 1.286 50 0 BDAARO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058209395 182098385 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NWMSMYZUMFBOQG-UHFFFAOYSA-N 1 0 245.537 1.225 50 0 BDAARO O=C(NCCC[NH+]1CCCCC1)c1ccncc1 ZINC000040465425 182167569 /nfs/dbraw/zinc/16/75/69/182167569.db2.gz FTDOVNPRPQCGIT-UHFFFAOYSA-N 1 0 247.342 1.687 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)c1cccnc1 ZINC000040510067 182185798 /nfs/dbraw/zinc/18/57/98/182185798.db2.gz YRAUEABTJRTBLU-UHFFFAOYSA-N 1 0 247.342 1.687 50 0 BDAARO Cc1ccc(CC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000041028155 374079289 /nfs/dbraw/zinc/07/92/89/374079289.db2.gz FHWGIQIDINIGJI-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO O=C(NCc1ccc(Cl)cn1)[C@@H]1CCC[NH2+]1 ZINC000225485566 182249868 /nfs/dbraw/zinc/24/98/68/182249868.db2.gz RTQXSCYCQKERMS-JTQLQIEISA-N 1 0 239.706 1.103 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000036287121 182295112 /nfs/dbraw/zinc/29/51/12/182295112.db2.gz GPTIFNWADGFGIY-LLVKDONJSA-N 1 0 244.294 1.915 50 0 BDAARO CC(C)[C@](C)(O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194452727 206090110 /nfs/dbraw/zinc/09/01/10/206090110.db2.gz OMDXDLGXKIHUSC-NWDGAFQWSA-N 1 0 213.321 1.676 50 0 BDAARO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1O ZINC000044679239 182335000 /nfs/dbraw/zinc/33/50/00/182335000.db2.gz SQRBRQZQCMXFQG-JTQLQIEISA-N 1 0 246.310 1.359 50 0 BDAARO O=C(Nc1ccc(F)cc1)N[C@@H]1CC[NH2+]C1 ZINC000036288043 182355543 /nfs/dbraw/zinc/35/55/43/182355543.db2.gz OVNHILGOFGACGM-SNVBAGLBSA-N 1 0 223.251 1.309 50 0 BDAARO O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000037045095 182364042 /nfs/dbraw/zinc/36/40/42/182364042.db2.gz KPKWINPWAWXHOU-GFCCVEGCSA-N 1 0 246.310 1.702 50 0 BDAARO OC1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000020439039 183021299 /nfs/dbraw/zinc/02/12/99/183021299.db2.gz XNOZKVAOXOLUBS-UHFFFAOYSA-N 1 0 209.264 1.483 50 0 BDAARO OC1(CNc2ccc(F)cc2)CC[NH2+]CC1 ZINC000071289242 183022253 /nfs/dbraw/zinc/02/22/53/183022253.db2.gz WRXBMRKWIWQHRW-UHFFFAOYSA-N 1 0 224.279 1.352 50 0 BDAARO OC1(c2cccc3cnccc32)CC[NH2+]CC1 ZINC000061123451 183022968 /nfs/dbraw/zinc/02/29/68/183022968.db2.gz BVCCBNRYICMUQQ-UHFFFAOYSA-N 1 0 228.295 1.806 50 0 BDAARO OCC1CC[NH+](CCc2ccccc2)CC1 ZINC000019089185 183041563 /nfs/dbraw/zinc/04/15/63/183041563.db2.gz GBSSHKIMVABZLJ-UHFFFAOYSA-N 1 0 219.328 1.933 50 0 BDAARO OCC1(CCOc2ccccc2)CC[NH2+]CC1 ZINC000067432555 183034630 /nfs/dbraw/zinc/03/46/30/183034630.db2.gz GZCWNWBLSQNZPC-UHFFFAOYSA-N 1 0 235.327 1.818 50 0 BDAARO OCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000177689297 183074771 /nfs/dbraw/zinc/07/47/71/183074771.db2.gz GLGDGDYXBDYEGA-LBPRGKRZSA-N 1 0 209.264 1.955 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](OC)C1 ZINC000154416648 169005997 /nfs/dbraw/zinc/00/59/97/169005997.db2.gz PGEXQASYADFSLS-MNOVXSKESA-N 1 0 228.336 1.141 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000229306598 183119888 /nfs/dbraw/zinc/11/98/88/183119888.db2.gz OSEAZCIPVIVMLF-QWHCGFSZSA-N 1 0 239.290 1.316 50 0 BDAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[NH2+]C1 ZINC000067946815 183135041 /nfs/dbraw/zinc/13/50/41/183135041.db2.gz HWKMJZATYFTOHH-CYBMUJFWSA-N 1 0 223.291 1.730 50 0 BDAARO OC[C@H]1CCCN1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000095418524 183150415 /nfs/dbraw/zinc/15/04/15/183150415.db2.gz CMYSWGZBOWGVBG-UONOGXRCSA-N 1 0 238.375 1.318 50 0 BDAARO OC[C@H]1CCC[N@@H+]1CCc1cccs1 ZINC000069811714 183150795 /nfs/dbraw/zinc/15/07/95/183150795.db2.gz SIKNWAPLPNBUDM-SNVBAGLBSA-N 1 0 211.330 1.747 50 0 BDAARO OC[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1 ZINC000062620191 183155352 /nfs/dbraw/zinc/15/53/52/183155352.db2.gz FSVACMCTFSIBDE-GFCCVEGCSA-N 1 0 240.734 1.106 50 0 BDAARO O[C@@H](C[n+]1ccccc1)c1ccccc1 ZINC000000337498 183183532 /nfs/dbraw/zinc/18/35/32/183183532.db2.gz ACVOAOZMIDJCBK-ZDUSSCGKSA-N 1 0 200.261 1.708 50 0 BDAARO O[C@@]12CCC[NH2+][C@H]1c1ccccc1CC2 ZINC000071773146 183217691 /nfs/dbraw/zinc/21/76/91/183217691.db2.gz TUNXXKUKSSFOOH-QWHCGFSZSA-N 1 0 203.285 1.788 50 0 BDAARO O[C@H](C1=[NH+]CCN1)c1ccc(Cl)cc1 ZINC000003199973 183218311 /nfs/dbraw/zinc/21/83/11/183218311.db2.gz KLOAJGDBVFVYMH-VIFPVBQESA-N 1 0 210.664 1.375 50 0 BDAARO O[C@H](COc1ccccc1)C[NH+]1CCCC1 ZINC000000338041 183226371 /nfs/dbraw/zinc/22/63/71/183226371.db2.gz XEDQVFQFJYJTOY-LBPRGKRZSA-N 1 0 221.300 1.522 50 0 BDAARO O[C@H]1[C@H]2CC[C@H](C2)[C@H]1C[NH+]1CCCCC1 ZINC000004786691 183249373 /nfs/dbraw/zinc/24/93/73/183249373.db2.gz RJEAJPVKZCYCBQ-XQHKEYJVSA-N 1 0 209.333 1.879 50 0 BDAARO O[C@H]1[C@@H]2CC[C@H]1[N@H+](Cc1ccccc1)C2 ZINC000079030349 183249506 /nfs/dbraw/zinc/24/95/06/183249506.db2.gz GRNDIXAFZQOWOE-UPJWGTAASA-N 1 0 203.285 1.642 50 0 BDAARO CCCN(CCC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000019413528 169144768 /nfs/dbraw/zinc/14/47/68/169144768.db2.gz IFOGRTARYAMRPA-NSHDSACASA-N 1 0 212.337 1.635 50 0 BDAARO S=c1[nH]nc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000060276630 183315272 /nfs/dbraw/zinc/31/52/72/183315272.db2.gz VUVPDJDBDLPITM-SSDOTTSWSA-N 1 0 224.333 1.743 50 0 BDAARO c1[nH]c2ncccc2c1C1CC[NH2+]CC1 ZINC000006059159 183329395 /nfs/dbraw/zinc/32/93/95/183329395.db2.gz OUNKWLVIJBPPIF-UHFFFAOYSA-N 1 0 201.273 1.982 50 0 BDAARO c1cc(-c2n[nH]c(C[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000169676329 183332192 /nfs/dbraw/zinc/33/21/92/183332192.db2.gz XCCKALHKOBYWIJ-VIFPVBQESA-N 1 0 229.287 1.019 50 0 BDAARO CCC[N@@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000056895836 169208380 /nfs/dbraw/zinc/20/83/80/169208380.db2.gz AUEVEUXXTNLXSB-UHFFFAOYSA-N 1 0 239.344 1.197 50 0 BDAARO CCC[N@@H+]1CC[C@H](CNCc2cncn2C)C1 ZINC000236788517 169209387 /nfs/dbraw/zinc/20/93/87/169209387.db2.gz HLFGNPGVHICWKJ-GFCCVEGCSA-N 1 0 236.363 1.242 50 0 BDAARO CCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000048557332 169210965 /nfs/dbraw/zinc/21/09/65/169210965.db2.gz FBGCCGVDWBPTDK-LBPRGKRZSA-N 1 0 218.300 1.309 50 0 BDAARO CCC[NH2+]CC(=O)Nc1ccc2c(c1)OCO2 ZINC000007780858 169256119 /nfs/dbraw/zinc/25/61/19/169256119.db2.gz WKAXADHAGLGBMG-UHFFFAOYSA-N 1 0 236.271 1.353 50 0 BDAARO c1nnc(C[NH2+]CC2CC2)n1-c1ccccc1 ZINC000054526721 183386325 /nfs/dbraw/zinc/38/63/25/183386325.db2.gz IIWLASZKQHSINT-UHFFFAOYSA-N 1 0 228.299 1.767 50 0 BDAARO c1cc2c(c([C@@H]3CCC[NH2+]3)c1)OCCO2 ZINC000036330515 183367187 /nfs/dbraw/zinc/36/71/87/183367187.db2.gz KWCSDLHWGQZNOR-JTQLQIEISA-N 1 0 205.257 1.882 50 0 BDAARO c1cc(O[C@H]2CC[NH2+]C2)cc2c1CCC2 ZINC000014632258 183370304 /nfs/dbraw/zinc/37/03/04/183370304.db2.gz AEIMEMJKCBXSIK-ZDUSSCGKSA-N 1 0 203.285 1.916 50 0 BDAARO CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000007486486 169235797 /nfs/dbraw/zinc/23/57/97/169235797.db2.gz KPCOZRRDHKNIBX-JTQLQIEISA-N 1 0 241.335 1.097 50 0 BDAARO CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000041044049 169236656 /nfs/dbraw/zinc/23/66/56/169236656.db2.gz XOPXVMVFEDDLGG-UHFFFAOYSA-N 1 0 213.325 1.357 50 0 BDAARO c1ccc(-c2nc([C@@H]3CC[NH2+]C3)no2)cc1 ZINC000169676340 183382066 /nfs/dbraw/zinc/38/20/66/183382066.db2.gz GTJHFUBSIRLRBS-SNVBAGLBSA-N 1 0 215.256 1.814 50 0 BDAARO c1ccc(-c2n[nH]c([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000042013515 183382675 /nfs/dbraw/zinc/38/26/75/183382675.db2.gz YZRMJEUPVCOVSO-NSHDSACASA-N 1 0 228.299 1.939 50 0 BDAARO c1ccc(C[C@H]([NH2+]CC2OCCO2)C2CC2)cc1 ZINC000097373855 183410494 /nfs/dbraw/zinc/41/04/94/183410494.db2.gz NGRDIRFAGXCVBS-AWEZNQCLSA-N 1 0 247.338 1.970 50 0 BDAARO CCCO[C@@H]1CCCN(C(=O)CCC[NH3+])CC1 ZINC000236896973 169310478 /nfs/dbraw/zinc/31/04/78/169310478.db2.gz QBZZMTCIDABNNJ-GFCCVEGCSA-N 1 0 242.363 1.533 50 0 BDAARO c1cnc(SC[C@H]2CCCC[NH2+]2)nc1 ZINC000043495314 183484461 /nfs/dbraw/zinc/48/44/61/183484461.db2.gz OMHSTFYXXRHORM-SECBINFHSA-N 1 0 209.318 1.711 50 0 BDAARO CCC[C@@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000046275253 169349954 /nfs/dbraw/zinc/34/99/54/169349954.db2.gz PGJSSCNFPGWKFG-NXEZZACHSA-N 1 0 200.326 1.489 50 0 BDAARO CCC[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000070626873 169383631 /nfs/dbraw/zinc/38/36/31/169383631.db2.gz LKZBYZJNGSHFDB-QMMMGPOBSA-N 1 0 202.298 1.639 50 0 BDAARO CCC[C@@H]([NH2+]C)C(=O)c1ccc2c(c1)OCO2 ZINC000064859569 169399282 /nfs/dbraw/zinc/39/92/82/169399282.db2.gz DFMLULIEUUXXSA-SNVBAGLBSA-N 1 0 235.283 1.986 50 0 in-vitro BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@]12CC[NH2+]C2 ZINC000039093678 166668207 /nfs/dbraw/zinc/66/82/07/166668207.db2.gz MWTHZUMWDMOWQO-KWQFWETISA-N 1 0 212.293 1.263 50 0 BDAARO C[NH+](C)CCc1c[nH]c2cccc(O)c12 ZINC000000002001 383817962 /nfs/dbraw/zinc/81/79/62/383817962.db2.gz SPCIYGNTAMCTRO-UHFFFAOYSA-N 1 0 204.273 1.978 50 0 endogenous,in-man BDAARO COC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000000315188 383853104 /nfs/dbraw/zinc/85/31/04/383853104.db2.gz HDGDSGGAXRHUMI-UHFFFAOYSA-N 1 0 209.245 1.662 50 0 BDAARO CN(C)[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@H]1CO ZINC000257180524 383859653 /nfs/dbraw/zinc/85/96/53/383859653.db2.gz KYIULMUSSYMKGR-TZMCWYRMSA-N 1 0 240.391 1.564 50 0 BDAARO CCOc1ccccc1CN1CC[NH2+][C@H](C)C1 ZINC000088058730 383877796 /nfs/dbraw/zinc/87/77/96/383877796.db2.gz YHAJOCNYYYZFTC-GFCCVEGCSA-N 1 0 234.343 1.879 50 0 BDAARO CCCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000127742098 383908820 /nfs/dbraw/zinc/90/88/20/383908820.db2.gz GGQARMYOIQQIDB-SNVBAGLBSA-N 1 0 200.326 1.618 50 0 BDAARO c1cnc(-c2noc([C@@H]3CCCC[NH2+]3)n2)nc1 ZINC000036814780 383909499 /nfs/dbraw/zinc/90/94/99/383909499.db2.gz CWBQBSJQFNMMIS-QMMMGPOBSA-N 1 0 231.259 1.341 50 0 BDAARO S=C1NC2(CC[NH2+]CC2)N=C1c1ccccc1 ZINC000067172591 383911817 /nfs/dbraw/zinc/91/18/17/383911817.db2.gz UGCCKCAITKYRJD-UHFFFAOYSA-N 1 0 245.351 1.897 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccs1 ZINC000036871736 383917585 /nfs/dbraw/zinc/91/75/85/383917585.db2.gz ICBPNXNIIVHBPZ-JGVFFNPUSA-N 1 0 212.318 1.663 50 0 BDAARO C[NH+](C)[C@H](CNc1ncccc1F)C1CC1 ZINC000091481313 383918765 /nfs/dbraw/zinc/91/87/65/383918765.db2.gz OYJQUAXRFOZQCK-LLVKDONJSA-N 1 0 223.295 1.973 50 0 BDAARO C[C@H]([NH2+]CC1CC1)c1nnc2ccccn21 ZINC000036969167 383924805 /nfs/dbraw/zinc/92/48/05/383924805.db2.gz PMSAJNMGOOWWMY-VIFPVBQESA-N 1 0 216.288 1.790 50 0 BDAARO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)C(C)(C)C ZINC000036259408 383893648 /nfs/dbraw/zinc/89/36/48/383893648.db2.gz CYHXMDGVHQPUBV-BBBLOLIVSA-N 1 0 210.321 1.241 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000002576616 383978734 /nfs/dbraw/zinc/97/87/34/383978734.db2.gz SFAIJGZFZQBGLO-MNOVXSKESA-N 1 0 239.702 1.816 50 0 BDAARO C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000037469109 383982340 /nfs/dbraw/zinc/98/23/40/383982340.db2.gz ANGMPBYFQOMNSG-GFCCVEGCSA-N 1 0 217.247 1.925 50 0 BDAARO Cc1cc(C)cc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000050245870 383985408 /nfs/dbraw/zinc/98/54/08/383985408.db2.gz SRQBLXNWADZHQH-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO CC(C)CCNc1ncnc2c1CC[NH2+]C2 ZINC000067740373 383938881 /nfs/dbraw/zinc/93/88/81/383938881.db2.gz KSYFFUDPIKNWJQ-UHFFFAOYSA-N 1 0 220.320 1.580 50 0 BDAARO CCCc1cc(=O)[nH]c(C2([NH3+])CCCCC2)n1 ZINC000068577006 384000530 /nfs/dbraw/zinc/00/05/30/384000530.db2.gz DICBKEDAHWGKNX-UHFFFAOYSA-N 1 0 235.331 1.841 50 0 BDAARO c1ccc(Cc2ncc3c(n2)CC[NH2+]CC3)cc1 ZINC000068150324 383975175 /nfs/dbraw/zinc/97/51/75/383975175.db2.gz CZWQBSKNHUVZLI-UHFFFAOYSA-N 1 0 239.322 1.756 50 0 in-vivo BDAARO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1 ZINC000158573556 384020240 /nfs/dbraw/zinc/02/02/40/384020240.db2.gz QNVFOUAMZDXEEL-ABAIWWIYSA-N 1 0 225.357 1.885 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000255131456 384005808 /nfs/dbraw/zinc/00/58/08/384005808.db2.gz COAIMXDGZOXBKM-FWWRYZNZSA-N 1 0 244.338 1.829 50 0 BDAARO [NH3+]C[C@@H](O)COc1cccc2ccccc21 ZINC000003471216 384011976 /nfs/dbraw/zinc/01/19/76/384011976.db2.gz ZFMCITCRZXLMDJ-LLVKDONJSA-N 1 0 217.268 1.538 50 0 world BDAARO [NH3+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000003882680 384031218 /nfs/dbraw/zinc/03/12/18/384031218.db2.gz WSMYALRGSVSHQK-UHFFFAOYSA-N 1 0 223.663 1.891 50 0 BDAARO COC(=O)[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000004343305 384056771 /nfs/dbraw/zinc/05/67/71/384056771.db2.gz NTUORBPSIHMIFV-CYBMUJFWSA-N 1 0 233.311 1.867 50 0 BDAARO COC(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040817 384062278 /nfs/dbraw/zinc/06/22/78/384062278.db2.gz HBWLHCVQNMENEP-UHFFFAOYSA-N 1 0 234.299 1.637 50 0 BDAARO CC[C@H]([NH3+])CCNC(=O)OC(C)(C)C ZINC000039952155 384124387 /nfs/dbraw/zinc/12/43/87/384124387.db2.gz NMZBDDOBSIZYCI-QMMMGPOBSA-N 1 0 202.298 1.639 50 0 BDAARO COC(=O)c1cc(Br)ccc1C[NH3+] ZINC000039951711 384124895 /nfs/dbraw/zinc/12/48/95/384124895.db2.gz APRBPDMQILLKPH-UHFFFAOYSA-N 1 0 244.088 1.694 50 0 BDAARO CCOC[C@@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000071904873 384145980 /nfs/dbraw/zinc/14/59/80/384145980.db2.gz FTWOSKPPYSBXQF-LBPRGKRZSA-N 1 0 227.348 1.504 50 0 BDAARO O=C1NCC[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000064034256 384150629 /nfs/dbraw/zinc/15/06/29/384150629.db2.gz RUXGTEQSWKODCG-OAHLLOKOSA-N 1 0 244.338 1.789 50 0 BDAARO c1ncn2c1CN(Cc1ccccc1)CC2 ZINC000040443077 384151672 /nfs/dbraw/zinc/15/16/72/384151672.db2.gz LPAGGGGZFFUSJX-UHFFFAOYSA-N 1 0 213.284 1.899 50 0 BDAARO O=S(=O)(CCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000040449882 384153828 /nfs/dbraw/zinc/15/38/28/384153828.db2.gz LYOBDBAPSLWXGY-LBPRGKRZSA-N 1 0 239.340 1.006 50 0 BDAARO O=C1c2cc(F)ccc2CN1[C@H]1CC[NH2+]C1 ZINC000040449768 384155092 /nfs/dbraw/zinc/15/50/92/384155092.db2.gz YVNXICYAFHSLDL-JTQLQIEISA-N 1 0 220.247 1.143 50 0 BDAARO CC(C)(C)OC(=O)N1CC([NH2+]C2CC2)C1 ZINC000070906077 384140291 /nfs/dbraw/zinc/14/02/91/384140291.db2.gz HWISGVCRMIUTMA-UHFFFAOYSA-N 1 0 212.293 1.358 50 0 BDAARO [NH3+]Cc1ccc(OC2COC2)c(C(F)(F)F)c1 ZINC000071792149 384180151 /nfs/dbraw/zinc/18/01/51/384180151.db2.gz OEDRYPAHSXKING-UHFFFAOYSA-N 1 0 247.216 1.942 50 0 BDAARO COc1ccc([C@@H]([NH3+])c2nccn2C)cc1 ZINC000007986297 384189143 /nfs/dbraw/zinc/18/91/43/384189143.db2.gz NGFVORJRIAJDAY-LLVKDONJSA-N 1 0 217.272 1.477 50 0 BDAARO c1ccc(OCc2noc(C3C[NH2+]C3)n2)cc1 ZINC000092699536 384189303 /nfs/dbraw/zinc/18/93/03/384189303.db2.gz YIGVCGRQMCUSMW-UHFFFAOYSA-N 1 0 231.255 1.335 50 0 BDAARO c1ccc(OCCO[C@@H]2CCC[NH2+]C2)cc1 ZINC000042775876 384243448 /nfs/dbraw/zinc/24/34/48/384243448.db2.gz QAADPSPDYUIHRA-CYBMUJFWSA-N 1 0 221.300 1.834 50 0 BDAARO CC[C@@H]1C[N@H+](CC)CCN1c1nc(C)ns1 ZINC000408519718 384277894 /nfs/dbraw/zinc/27/78/94/384277894.db2.gz TVJFPJFAUDMKPI-SNVBAGLBSA-N 1 0 240.376 1.767 50 0 BDAARO Cc1nsc(N2CC[C@H]([NH+](C)C)[C@H]2C)n1 ZINC000408518490 384272940 /nfs/dbraw/zinc/27/29/40/384272940.db2.gz KPHBZVNQNSLBPE-APPZFPTMSA-N 1 0 226.349 1.375 50 0 BDAARO OCCOCC[NH2+]Cc1cccc(Cl)c1 ZINC000010436200 384273028 /nfs/dbraw/zinc/27/30/28/384273028.db2.gz UOCQMOXGIICFLU-UHFFFAOYSA-N 1 0 229.707 1.439 50 0 BDAARO c1ccc(OCCO[C@@H]2CC[NH2+]C2)cc1 ZINC000042775883 384241793 /nfs/dbraw/zinc/24/17/93/384241793.db2.gz BPGICBLCBBOZHF-GFCCVEGCSA-N 1 0 207.273 1.444 50 0 BDAARO COC(=O)c1ccc(OCCC[NH+](C)C)cc1 ZINC000012370627 384314238 /nfs/dbraw/zinc/31/42/38/384314238.db2.gz SRXQDDFKGDLAJM-UHFFFAOYSA-N 1 0 237.299 1.804 50 0 BDAARO COc1ccc([C@H]([NH3+])c2nccn2C)cc1OC ZINC000011735166 384295147 /nfs/dbraw/zinc/29/51/47/384295147.db2.gz NHMUKGGWACKCJY-LBPRGKRZSA-N 1 0 247.298 1.485 50 0 BDAARO [NH3+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000011891813 384300671 /nfs/dbraw/zinc/30/06/71/384300671.db2.gz DLKSTTMQPSJCID-MRVPVSSYSA-N 1 0 212.243 1.750 50 0 BDAARO [NH3+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000011891810 384301916 /nfs/dbraw/zinc/30/19/16/384301916.db2.gz DLKSTTMQPSJCID-QMMMGPOBSA-N 1 0 212.243 1.750 50 0 BDAARO C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000095202016 384364668 /nfs/dbraw/zinc/36/46/68/384364668.db2.gz YYIDBXQVSDIOBF-MRVPVSSYSA-N 1 0 243.104 1.195 50 0 BDAARO C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000095202015 384366048 /nfs/dbraw/zinc/36/60/48/384366048.db2.gz YYIDBXQVSDIOBF-QMMMGPOBSA-N 1 0 243.104 1.195 50 0 BDAARO C[C@]1(CO)COCCN1Cc1ccccc1 ZINC000095347849 384367934 /nfs/dbraw/zinc/36/79/34/384367934.db2.gz WBPZLUWUMMIRCP-ZDUSSCGKSA-N 1 0 221.300 1.270 50 0 BDAARO CC[C@@H](CO)[NH+]1CCN(c2cccc(C)n2)CC1 ZINC000097096510 384334159 /nfs/dbraw/zinc/33/41/59/384334159.db2.gz XWTNTHCFTSJZBF-ZDUSSCGKSA-N 1 0 249.358 1.283 50 0 BDAARO CC(C)(C)OC(=O)N[C@@]1(C)CCC[NH2+]C1 ZINC000095743097 384393582 /nfs/dbraw/zinc/39/35/82/384393582.db2.gz IKLFTJQKKCELGD-NSHDSACASA-N 1 0 214.309 1.653 50 0 BDAARO c1cnc2c(c1)cccc2O[C@@H]1CC[NH2+]C1 ZINC000014632273 384398455 /nfs/dbraw/zinc/39/84/55/384398455.db2.gz OYPNCTYUXIJFQM-LLVKDONJSA-N 1 0 214.268 1.976 50 0 BDAARO CC1(C(=O)NCc2ccccc2)CC[NH2+]CC1 ZINC000014984826 384412889 /nfs/dbraw/zinc/41/28/89/384412889.db2.gz UYNOTHVIYDVVKL-UHFFFAOYSA-N 1 0 232.327 1.693 50 0 BDAARO c1cn(CC2CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000096032239 384421750 /nfs/dbraw/zinc/42/17/50/384421750.db2.gz YBJCYZMJTCHDPI-NSHDSACASA-N 1 0 205.305 1.760 50 0 BDAARO CC(C)(C)OC(=O)NCC1CC(C[NH3+])C1 ZINC000095630783 384385578 /nfs/dbraw/zinc/38/55/78/384385578.db2.gz IJXVAVJJPSTQHE-UHFFFAOYSA-N 1 0 214.309 1.496 50 0 BDAARO COC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000079047990 384481957 /nfs/dbraw/zinc/48/19/57/384481957.db2.gz NOZPVSPICUEDBC-LBPRGKRZSA-N 1 0 205.257 1.091 50 0 BDAARO CS[C@@H]1CCC[C@H]1N(C)C(=O)CCC[NH3+] ZINC000097019183 384497535 /nfs/dbraw/zinc/49/75/35/384497535.db2.gz RVUVDZGWPBUKQR-NXEZZACHSA-N 1 0 230.377 1.468 50 0 BDAARO c1c(COc2ccccc2)nnn1C1C[NH2+]C1 ZINC000409421789 384504076 /nfs/dbraw/zinc/50/40/76/384504076.db2.gz RRYXTTCQMRMIGF-UHFFFAOYSA-N 1 0 230.271 1.001 50 0 BDAARO CC(C)N(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000096997851 384488583 /nfs/dbraw/zinc/48/85/83/384488583.db2.gz WWLBBXXISPAIAW-NSHDSACASA-N 1 0 206.289 1.553 50 0 BDAARO O=C(C(F)F)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000019220037 384512723 /nfs/dbraw/zinc/51/27/23/384512723.db2.gz YZYGYMKUQKEHTF-SNVBAGLBSA-N 1 0 246.301 1.586 50 0 BDAARO O=Cc1ccc(OCCCN2CCOCC2)cc1 ZINC000019201452 384513680 /nfs/dbraw/zinc/51/36/80/384513680.db2.gz VQOGMXOCLIIIMA-UHFFFAOYSA-N 1 0 249.310 1.600 50 0 BDAARO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)no1 ZINC000097370314 384514685 /nfs/dbraw/zinc/51/46/85/384514685.db2.gz AIKYQSSXBJSUHV-WDEREUQCSA-N 1 0 249.314 1.149 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000019514073 384528160 /nfs/dbraw/zinc/52/81/60/384528160.db2.gz NTNPSBQLMFHLCP-CYBMUJFWSA-N 1 0 232.327 1.555 50 0 BDAARO Cn1nc([C@@H]2CC[NH2+]C2)c2cccnc21 ZINC000019686679 384530809 /nfs/dbraw/zinc/53/08/09/384530809.db2.gz UBSDVSNPIBAIJF-MRVPVSSYSA-N 1 0 202.261 1.045 50 0 BDAARO CN(C)CC[NH2+]Cc1cccc(Cl)c1 ZINC000019691183 384531544 /nfs/dbraw/zinc/53/15/44/384531544.db2.gz GBKJHWRWDOWQDG-UHFFFAOYSA-N 1 0 212.724 1.991 50 0 BDAARO CC[N@H+](CCCc1ccccc1)[C@H]1COC[C@@H]1O ZINC000097532277 384531918 /nfs/dbraw/zinc/53/19/18/384531918.db2.gz WFYGWAYYFNYHJJ-GJZGRUSLSA-N 1 0 249.354 1.701 50 0 BDAARO [NH3+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000019771636 384538728 /nfs/dbraw/zinc/53/87/28/384538728.db2.gz HQHPLUZEYNYOLB-GFCCVEGCSA-N 1 0 224.279 1.158 50 0 BDAARO [NH3+]C[C@@H]1CCN(Cc2nc3ccccc3[nH]2)C1 ZINC000050247963 384611743 /nfs/dbraw/zinc/61/17/43/384611743.db2.gz KQJCNVRABDDBPB-JTQLQIEISA-N 1 0 230.315 1.344 50 0 BDAARO COc1cc(N)ccc1OCC[NH+](C)C ZINC000050505249 384629380 /nfs/dbraw/zinc/62/93/80/384629380.db2.gz FEPHOXJKLRZETQ-UHFFFAOYSA-N 1 0 210.277 1.218 50 0 BDAARO c1ccc2c(c1)CC[C@H](N1CC[NH2+]CC1)C2 ZINC000020999720 384647175 /nfs/dbraw/zinc/64/71/75/384647175.db2.gz KEFHPVYDYSDBRR-AWEZNQCLSA-N 1 0 216.328 1.449 50 0 BDAARO CCCCN(Cc1ccccc1F)C(=O)C[NH3+] ZINC000076620606 384698022 /nfs/dbraw/zinc/69/80/22/384698022.db2.gz KXLVZDKKBJBMJQ-UHFFFAOYSA-N 1 0 238.306 1.913 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000269200113 384699442 /nfs/dbraw/zinc/69/94/42/384699442.db2.gz VAJJIVLAFMLAOW-CDCCAWJDSA-N 1 0 210.321 1.553 50 0 BDAARO [NH3+]Cc1ccc(N2CCCCCC2)nc1 ZINC000021961631 384710752 /nfs/dbraw/zinc/71/07/52/384710752.db2.gz VAYROBVVUDIZIS-UHFFFAOYSA-N 1 0 205.305 1.921 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000103533387 384779360 /nfs/dbraw/zinc/77/93/60/384779360.db2.gz OVVBOBKSGLYQRG-OCAPTIKFSA-N 1 0 200.282 1.248 50 0 BDAARO C[NH+](C)CCn1cnc2cc(N)ccc21 ZINC000052842593 384750031 /nfs/dbraw/zinc/75/00/31/384750031.db2.gz YLOBSTTUHFWDNB-UHFFFAOYSA-N 1 0 204.277 1.180 50 0 BDAARO CC[N@H+](C/C=C/c1ccccc1)[C@H]1CCNC1=O ZINC000282379977 384750370 /nfs/dbraw/zinc/75/03/70/384750370.db2.gz OKCUERLRLQJWCC-MRZGDXHCSA-N 1 0 244.338 1.910 50 0 BDAARO CCc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000083833940 384756808 /nfs/dbraw/zinc/75/68/08/384756808.db2.gz SVDKPEGIBJJJQR-UHFFFAOYSA-N 1 0 204.273 1.679 50 0 BDAARO C[C@@H](CSC(C)(C)C)[NH2+]CC[S@](C)=O ZINC000167813494 384821503 /nfs/dbraw/zinc/82/15/03/384821503.db2.gz XATDPMOSFHNKPS-LKFCYVNXSA-N 1 0 237.434 1.875 50 0 BDAARO C[NH+](C)[C@H]1CCCN(c2ncc(F)cn2)CC1 ZINC000072146854 384787745 /nfs/dbraw/zinc/78/77/45/384787745.db2.gz OXZYEDURULAYCD-NSHDSACASA-N 1 0 238.310 1.536 50 0 BDAARO C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000083684263 384789447 /nfs/dbraw/zinc/78/94/47/384789447.db2.gz KHJXMCNXAIISCX-SECBINFHSA-N 1 0 220.272 1.924 50 0 BDAARO Cc1ccnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000061859328 384795128 /nfs/dbraw/zinc/79/51/28/384795128.db2.gz GMEVBTZDVBCRCS-VXGBXAGGSA-N 1 0 232.331 1.824 50 0 BDAARO [NH3+]Cc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000026421077 384873444 /nfs/dbraw/zinc/87/34/44/384873444.db2.gz NFOWSCWZZCYRON-UHFFFAOYSA-N 1 0 218.212 1.529 50 0 BDAARO [NH3+]Cc1nncn1-c1ccc(Cl)cc1 ZINC000056894966 384922010 /nfs/dbraw/zinc/92/20/10/384922010.db2.gz XKVCEPWIVRHUMV-UHFFFAOYSA-N 1 0 208.652 1.379 50 0 BDAARO Cc1ccnc(Nc2ccc(NCC[NH3+])nn2)c1 ZINC000206578726 384994425 /nfs/dbraw/zinc/99/44/25/384994425.db2.gz JOPPJJBPJZZSBE-UHFFFAOYSA-N 1 0 244.302 1.294 50 0 BDAARO C[C@H](C(N)=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000058315804 384996185 /nfs/dbraw/zinc/99/61/85/384996185.db2.gz FFBVMGCMWDEINQ-SNVBAGLBSA-N 1 0 248.301 1.789 50 0 BDAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000023280185 384996099 /nfs/dbraw/zinc/99/60/99/384996099.db2.gz XBSBBFKKDNXOBK-CYBMUJFWSA-N 1 0 249.310 1.430 50 0 BDAARO C1C[NH+](C2C3CC4CC(C3)CC2C4)CCN1 ZINC000032508936 385168896 /nfs/dbraw/zinc/16/88/96/385168896.db2.gz LBXYGEXAYYPYSE-UHFFFAOYSA-N 1 0 220.360 1.716 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000269067059 385207669 /nfs/dbraw/zinc/20/76/69/385207669.db2.gz OTYMYAQDQPEUAZ-SCRDCRAPSA-N 1 0 246.354 1.813 50 0 BDAARO C[C@@H]([NH2+]C(C)(C)C(=O)N(C)C)c1ccccn1 ZINC000096494821 385235989 /nfs/dbraw/zinc/23/59/89/385235989.db2.gz DQPZQAACSOEEQG-SNVBAGLBSA-N 1 0 235.331 1.599 50 0 BDAARO Cc1ccoc1C(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000065534636 385322491 /nfs/dbraw/zinc/32/24/91/385322491.db2.gz FIPJOJHHVZHQJK-MNOVXSKESA-N 1 0 234.299 1.555 50 0 BDAARO O=C1Nc2ccccc2[C@@]12CCC[NH2+]C2 ZINC000033994111 385274105 /nfs/dbraw/zinc/27/41/05/385274105.db2.gz SVSIGYKHPRVZCP-LBPRGKRZSA-N 1 0 202.257 1.260 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)c(C)c1 ZINC000000514567 385380382 /nfs/dbraw/zinc/38/03/82/385380382.db2.gz NEYKIQGSEQXLLS-UHFFFAOYSA-N 1 0 220.316 1.595 50 0 BDAARO CO[C@H]1CN(C2CC[NH2+]CC2)[C@H]1c1ccncc1 ZINC000169676706 385417039 /nfs/dbraw/zinc/41/70/39/385417039.db2.gz KTLFQINJTCPHFR-KBPBESRZSA-N 1 0 247.342 1.205 50 0 BDAARO Cc1ccc(CC[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000584906963 385465409 /nfs/dbraw/zinc/46/54/09/385465409.db2.gz NKFDNQOPUBBZRO-ZDUSSCGKSA-N 1 0 232.327 1.345 50 0 BDAARO Cc1ccc([C@@H]2CCC[N@@H+]2CC(N)=O)cc1 ZINC000012865346 385500287 /nfs/dbraw/zinc/50/02/87/385500287.db2.gz GICUWMNIYIEDJL-LBPRGKRZSA-N 1 0 218.300 1.617 50 0 BDAARO CCCn1c[n+](Cc2ccc(C)cc2)cn1 ZINC000252481438 385650887 /nfs/dbraw/zinc/65/08/87/385650887.db2.gz CMFGZMHKCYMKLY-UHFFFAOYSA-N 1 0 216.308 1.937 50 0 BDAARO C[C@@H]([NH3+])C(=O)c1ccc(Br)cc1 ZINC000058114650 385653143 /nfs/dbraw/zinc/65/31/43/385653143.db2.gz QYLHFDPIVWASPH-ZCFIWIBFSA-N 1 0 228.089 1.979 50 0 BDAARO CO[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000182748991 385700678 /nfs/dbraw/zinc/70/06/78/385700678.db2.gz MMGLONDXLKWPQQ-LBPRGKRZSA-N 1 0 223.320 1.384 50 0 BDAARO C[C@H](Cc1ccccc1)NNCCC[NH+](C)C ZINC000071773109 385939639 /nfs/dbraw/zinc/93/96/39/385939639.db2.gz XGIITDYLRBIRTB-CYBMUJFWSA-N 1 0 235.375 1.664 50 0 BDAARO CC(F)(F)c1cccc(NC(=O)C[NH3+])c1 ZINC000335012876 385968422 /nfs/dbraw/zinc/96/84/22/385968422.db2.gz KOBYUOQZTGPXIQ-UHFFFAOYSA-N 1 0 214.215 1.696 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000063193449 386367753 /nfs/dbraw/zinc/36/77/53/386367753.db2.gz URMPFFHQGBNZQP-PWSUYJOCSA-N 1 0 233.315 1.424 50 0 BDAARO Cc1cc(NC(=O)N[C@H](C)C[NH3+])ccc1F ZINC000335274542 386329751 /nfs/dbraw/zinc/32/97/51/386329751.db2.gz BOZLYTOYNRRWNE-MRVPVSSYSA-N 1 0 225.267 1.603 50 0 BDAARO c1cncc(N2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000013975455 386501195 /nfs/dbraw/zinc/50/11/95/386501195.db2.gz NXIPMBQVNTWEEX-GFCCVEGCSA-N 1 0 203.289 1.414 50 0 in-man BDAARO CO[C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000004126790 386516174 /nfs/dbraw/zinc/51/61/74/386516174.db2.gz JHNPINNCWRZNEN-LLVKDONJSA-N 1 0 209.245 1.104 50 0 BDAARO COC[C@H](O)C[N@H+](C)C1C[C@H](C)C[C@@H](C)C1 ZINC000239359625 386541425 /nfs/dbraw/zinc/54/14/25/386541425.db2.gz AEXZOQLIHGGEOU-NQBHXWOUSA-N 1 0 229.364 1.750 50 0 BDAARO COC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952580 386547778 /nfs/dbraw/zinc/54/77/78/386547778.db2.gz NKGPFPCZUQEXIM-LLVKDONJSA-N 1 0 240.347 1.108 50 0 BDAARO C[C@H](O)CN1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000106840960 386637031 /nfs/dbraw/zinc/63/70/31/386637031.db2.gz NXHMGKAEFFOXRS-STQMWFEESA-N 1 0 240.391 1.564 50 0 BDAARO C[NH+](C)C1(CNC(=O)c2ccncc2)CCCC1 ZINC000046708019 386710352 /nfs/dbraw/zinc/71/03/52/386710352.db2.gz GWSLAZWCUNKBCB-UHFFFAOYSA-N 1 0 247.342 1.686 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1F ZINC000088058885 386734893 /nfs/dbraw/zinc/73/48/93/386734893.db2.gz WQYUPLNKMXMXFV-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)o1 ZINC000185171999 387013653 /nfs/dbraw/zinc/01/36/53/387013653.db2.gz MOOXXHLODCNFJL-CYZMBNFOSA-N 1 0 248.326 1.706 50 0 BDAARO Cc1ncc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000333193195 387020802 /nfs/dbraw/zinc/02/08/02/387020802.db2.gz VOLBMQHFUOWHTJ-SNVBAGLBSA-N 1 0 249.318 1.047 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000053202650 387021033 /nfs/dbraw/zinc/02/10/33/387021033.db2.gz GIWRWPHZCDZELZ-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO C[C@H](O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC000053932009 387094175 /nfs/dbraw/zinc/09/41/75/387094175.db2.gz FPFWZFYSEGTOGN-NSHDSACASA-N 1 0 221.300 1.572 50 0 BDAARO Cc1cc(C)c(C(=O)NC2CC[NH2+]CC2)o1 ZINC000262522235 387159569 /nfs/dbraw/zinc/15/95/69/387159569.db2.gz XRNAJEGDASOZSC-UHFFFAOYSA-N 1 0 222.288 1.378 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@@H](O)[C@H](C)C1 ZINC000191840958 387160552 /nfs/dbraw/zinc/16/05/52/387160552.db2.gz JBUVYFZUJLISHT-CHWSQXEVSA-N 1 0 228.380 1.421 50 0 BDAARO Cc1cc2n3c(n[n+]2c(C)c1)nc(C)cc3C ZINC000012478106 387251441 /nfs/dbraw/zinc/25/14/41/387251441.db2.gz IDCPDCMDXWOSBO-UHFFFAOYSA-N 1 0 227.291 1.702 50 0 BDAARO C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000229703111 387194982 /nfs/dbraw/zinc/19/49/82/387194982.db2.gz QWNJCRWEAKARAU-OUAUKWLOSA-N 1 0 224.348 1.631 50 0 BDAARO CC(C)=CC[NH2+]C1(C(N)=O)CCCCC1 ZINC000088545391 387366391 /nfs/dbraw/zinc/36/63/91/387366391.db2.gz MFMPUGSUACYCTA-UHFFFAOYSA-N 1 0 210.321 1.730 50 0 BDAARO c1cnn([C@H]2CCC[N@@H+]([C@H]3CCOC3)C2)c1 ZINC000336553961 387375907 /nfs/dbraw/zinc/37/59/07/387375907.db2.gz ONIKGHANEVHOAU-RYUDHWBXSA-N 1 0 221.304 1.309 50 0 BDAARO COC(=O)c1cc([C@@H]2CCC[NH2+]2)ccc1OC ZINC000026470144 387391738 /nfs/dbraw/zinc/39/17/38/387391738.db2.gz AXDIHIAKNYUVPD-NSHDSACASA-N 1 0 235.283 1.906 50 0 BDAARO CC(C)(C)NC(=[NH2+])NCc1nccs1 ZINC000052043414 387422899 /nfs/dbraw/zinc/42/28/99/387422899.db2.gz ZJVJVRZERXGPHK-UHFFFAOYSA-N 1 0 212.322 1.556 50 0 BDAARO OC[C@]1(F)CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000334480323 387491279 /nfs/dbraw/zinc/49/12/79/387491279.db2.gz UXZLRAVUCAXMMF-NEPJUHHUSA-N 1 0 213.296 1.892 50 0 BDAARO FC1(F)CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000306303374 387600813 /nfs/dbraw/zinc/60/08/13/387600813.db2.gz CTQQOPDSLCNJIJ-SECBINFHSA-N 1 0 205.248 1.943 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1ccco1 ZINC000035702142 387770574 /nfs/dbraw/zinc/77/05/74/387770574.db2.gz IDTGMOSSOXBFFP-NSHDSACASA-N 1 0 224.304 1.611 50 0 BDAARO O=C1Nc2ccccc2CC12CC[NH2+]CC2 ZINC000079387591 387855443 /nfs/dbraw/zinc/85/54/43/387855443.db2.gz JOKQGBFPIZRFLU-UHFFFAOYSA-N 1 0 216.284 1.551 50 0 BDAARO CC[N@H+](C)CCNC(=O)c1sc(C)nc1C ZINC000065453622 387943667 /nfs/dbraw/zinc/94/36/67/387943667.db2.gz JHNZNKVEGTYEDA-UHFFFAOYSA-N 1 0 241.360 1.441 50 0 BDAARO CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@H](C)[NH3+] ZINC000225341595 387944045 /nfs/dbraw/zinc/94/40/45/387944045.db2.gz PTQYFNJOKSJNHQ-HBNTYKKESA-N 1 0 242.363 1.386 50 0 BDAARO Cc1occc1C(=O)NCC[NH2+]C1CC1 ZINC000054265888 388058973 /nfs/dbraw/zinc/05/89/73/388058973.db2.gz YQVDXLWKGVLXSJ-UHFFFAOYSA-N 1 0 208.261 1.070 50 0 BDAARO COC(=O)c1oc(C[NH2+]C(C)(C)CO)cc1C ZINC000065550602 388085212 /nfs/dbraw/zinc/08/52/12/388085212.db2.gz RCZWCZUQPNFDGR-UHFFFAOYSA-N 1 0 241.287 1.235 50 0 BDAARO Nc1cc(N)[nH+]c(S[C@H]2C=CCCC2)n1 ZINC000065621835 388170582 /nfs/dbraw/zinc/17/05/82/388170582.db2.gz ZOOHSTMXAGKSCX-ZETCQYMHSA-N 1 0 222.317 1.842 50 0 BDAARO C[C@@](O)(CCCO)C[NH2+]C1CCCC1 ZINC000065385157 388260680 /nfs/dbraw/zinc/26/06/80/388260680.db2.gz PIPFFVAMDVQKAA-LLVKDONJSA-N 1 0 201.310 1.042 50 0 BDAARO COc1ccc(F)cc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000152546631 388227932 /nfs/dbraw/zinc/22/79/32/388227932.db2.gz BVBZTTXTFYFBAU-VIFPVBQESA-N 1 0 238.262 1.008 50 0 BDAARO CC[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000170602818 388242395 /nfs/dbraw/zinc/24/23/95/388242395.db2.gz TZJBVZDAICEWAB-CYBMUJFWSA-N 1 0 233.359 1.998 50 0 BDAARO C1=CCC([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000132554644 388362726 /nfs/dbraw/zinc/36/27/26/388362726.db2.gz CNBWCSMRUGBPCC-UHFFFAOYSA-N 1 0 223.316 1.980 50 0 BDAARO c1cc(CN2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000089884967 388369924 /nfs/dbraw/zinc/36/99/24/388369924.db2.gz OPGSYXVRPHELMP-UHFFFAOYSA-N 1 0 244.298 1.392 50 0 BDAARO [NH3+]CCOc1ccccc1C(=O)N1CCCC1 ZINC000217338359 388370506 /nfs/dbraw/zinc/37/05/06/388370506.db2.gz LVCCLYVIMZUHCD-UHFFFAOYSA-N 1 0 234.299 1.260 50 0 BDAARO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)C[NH3+] ZINC000377144892 388405729 /nfs/dbraw/zinc/40/57/29/388405729.db2.gz MBSGPBMSGZVDSU-SUNKGSAMSA-N 1 0 248.326 1.322 50 0 BDAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CCOCCO ZINC000076146661 388380611 /nfs/dbraw/zinc/38/06/11/388380611.db2.gz LXPBTSFLLDYSGY-QWRGUYRKSA-N 1 0 233.377 1.211 50 0 BDAARO c1cc(C[NH2+]CCn2cncn2)cs1 ZINC000065934378 388453362 /nfs/dbraw/zinc/45/33/62/388453362.db2.gz GJZLLOFZKGBNOU-UHFFFAOYSA-N 1 0 208.290 1.129 50 0 BDAARO C1[C@H](C2CCCCC2)[C@H]1NC1=[NH+]CCCN1 ZINC000195530947 388477001 /nfs/dbraw/zinc/47/70/01/388477001.db2.gz XVIACNPTRXUMFI-NEPJUHHUSA-N 1 0 221.348 1.894 50 0 BDAARO Cc1cnn([C@H](C)[C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069463746 388416745 /nfs/dbraw/zinc/41/67/45/388416745.db2.gz GUIYQEAUQYMLOD-GHMZBOCLSA-N 1 0 233.319 1.654 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069512861 388418521 /nfs/dbraw/zinc/41/85/21/388418521.db2.gz DCDJUANTMBJFLG-JTQLQIEISA-N 1 0 219.292 1.093 50 0 BDAARO CC[C@H](CNC(=O)c1ccccn1)[NH+]1CCCC1 ZINC000040522405 388419799 /nfs/dbraw/zinc/41/97/99/388419799.db2.gz MDKDIFPOPSWVGA-GFCCVEGCSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@@H]21 ZINC000195542312 388480020 /nfs/dbraw/zinc/48/00/20/388480020.db2.gz BGLHZGJZCRWPCM-RHYQMDGZSA-N 1 0 224.348 1.761 50 0 BDAARO CC(C)(C)[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000054396930 388436591 /nfs/dbraw/zinc/43/65/91/388436591.db2.gz VFYVUSLOCXQTDQ-LBPRGKRZSA-N 1 0 220.316 1.849 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@H](CCO)C(C)C)o1 ZINC000195563997 388487932 /nfs/dbraw/zinc/48/79/32/388487932.db2.gz WGADTWHVHVKMRK-WCBMZHEXSA-N 1 0 227.308 1.436 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCO[C@H]1C ZINC000253369707 388589430 /nfs/dbraw/zinc/58/94/30/388589430.db2.gz GZVGDQZSELVZSH-GRYCIOLGSA-N 1 0 223.320 1.429 50 0 BDAARO Cc1n[nH]cc1C[NH2+]CCc1cccnc1 ZINC000037718070 388592279 /nfs/dbraw/zinc/59/22/79/388592279.db2.gz OAPPZNDRJUMELE-UHFFFAOYSA-N 1 0 216.288 1.445 50 0 BDAARO C[N@@H+]1CCC(N)=C(C(=O)Nc2ccccc2)C1 ZINC000105970685 388594314 /nfs/dbraw/zinc/59/43/14/388594314.db2.gz CFPUDCLRRPAOAX-LLVKDONJSA-N 1 0 231.299 1.597 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(CCC(C)C)C1CC1 ZINC000037807045 388575540 /nfs/dbraw/zinc/57/55/40/388575540.db2.gz HNDQODGVCVRQSN-NSHDSACASA-N 1 0 212.337 1.761 50 0 BDAARO CCC1(CC)[C@H]([NH2+]C[C@H](C)O)C[C@H]1OC ZINC000108329826 388619750 /nfs/dbraw/zinc/61/97/50/388619750.db2.gz YKJRALUXLKEMFP-HBNTYKKESA-N 1 0 215.337 1.551 50 0 BDAARO Cc1ccc2[nH]c3c(c(=O)c2c1)C[N@H+](C)CC3 ZINC000085345705 388684118 /nfs/dbraw/zinc/68/41/18/388684118.db2.gz SRSMPQBKIXKCST-UHFFFAOYSA-N 1 0 228.295 1.824 50 0 BDAARO CC(C)[N@H+](CC(N)=O)Cc1ccc2nonc2c1 ZINC000328595883 388738706 /nfs/dbraw/zinc/73/87/06/388738706.db2.gz IUOBSOORMXEAGL-UHFFFAOYSA-N 1 0 248.286 1.968 50 0 BDAARO Cn1ccc2c1cccc2C(=O)NCC[NH+](C)C ZINC000079191217 388746596 /nfs/dbraw/zinc/74/65/96/388746596.db2.gz ISDOYOLQWMCDRG-UHFFFAOYSA-N 1 0 245.326 1.470 50 0 biogenic BDAARO C[C@H](C[NH3+])N(C)C(=O)Cc1cc(F)ccc1F ZINC000095971617 388797659 /nfs/dbraw/zinc/79/76/59/388797659.db2.gz XEBKBAGSNOBODZ-MRVPVSSYSA-N 1 0 242.269 1.313 50 0 BDAARO CSCC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000095973125 388798321 /nfs/dbraw/zinc/79/83/21/388798321.db2.gz YIXSZUHOJSAXRI-LLVKDONJSA-N 1 0 240.376 1.353 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000096005933 388802839 /nfs/dbraw/zinc/80/28/39/388802839.db2.gz JGCUQQWTFCIAMA-ZJUUUORDSA-N 1 0 213.321 1.964 50 0 BDAARO C[C@@H]1[C@@H]([NH2+]CCO)C[C@@H]1c1ccccc1 ZINC000096009138 388803225 /nfs/dbraw/zinc/80/32/25/388803225.db2.gz GCUJBNIVAOTURQ-DRZSPHRISA-N 1 0 205.301 1.761 50 0 BDAARO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000095420681 388769306 /nfs/dbraw/zinc/76/93/06/388769306.db2.gz ZEDWTGAPDOWRGE-CMPLNLGQSA-N 1 0 249.358 1.734 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000125520243 388788646 /nfs/dbraw/zinc/78/86/46/388788646.db2.gz COAIMXDGZOXBKM-YBJDMEARSA-N 1 0 244.338 1.829 50 0 BDAARO CC[NH+](CC)CCN(C)c1cnn(C)c1 ZINC000097050833 388831346 /nfs/dbraw/zinc/83/13/46/388831346.db2.gz QQDXIXPGCOAEJK-UHFFFAOYSA-N 1 0 210.325 1.198 50 0 BDAARO COC(=O)[C@@H](F)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000252487892 388859784 /nfs/dbraw/zinc/85/97/84/388859784.db2.gz IDKRJUFWKAAYKA-QWRGUYRKSA-N 1 0 229.295 1.786 50 0 BDAARO COC[C@H]1CN(c2cc[nH+]cc2C)CCO1 ZINC000192623744 132240536 /nfs/dbraw/zinc/24/05/36/132240536.db2.gz OAKSITFKFRYUGY-LLVKDONJSA-N 1 0 222.288 1.242 50 0 BDAARO [NH3+]CCc1ccc(N2CCOCC2)cc1 ZINC000002513330 132314863 /nfs/dbraw/zinc/31/48/63/132314863.db2.gz USKPIYGGLOVZND-UHFFFAOYSA-N 1 0 206.289 1.024 50 0 BDAARO C[C@@H](C[NH3+])N1CCN(c2ccccc2)CC1 ZINC000019392260 132324641 /nfs/dbraw/zinc/32/46/41/132324641.db2.gz RVMULKARZNWVBY-LBPRGKRZSA-N 1 0 219.332 1.156 50 0 BDAARO Cc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000000244784 132292548 /nfs/dbraw/zinc/29/25/48/132292548.db2.gz UFECJGNJNUSSNX-UHFFFAOYSA-N 1 0 242.326 1.690 50 0 BDAARO [NH3+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000019414971 132324694 /nfs/dbraw/zinc/32/46/94/132324694.db2.gz IGFLLQNIGPBMTN-UHFFFAOYSA-N 1 0 204.273 1.662 50 0 BDAARO C[C@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000019277869 132324721 /nfs/dbraw/zinc/32/47/21/132324721.db2.gz LCLHNYGLGZONQC-LBPRGKRZSA-N 1 0 219.332 1.156 50 0 BDAARO NC(=[NH2+])c1ccc(N2CCCCC2)nc1 ZINC000019508209 132325747 /nfs/dbraw/zinc/32/57/47/132325747.db2.gz JJGIOWNLYSRISR-UHFFFAOYSA-N 1 0 204.277 1.356 50 0 BDAARO Nc1cccc(N2CC[NH+](C3CC3)CC2)c1 ZINC000020265170 132330451 /nfs/dbraw/zinc/33/04/51/132330451.db2.gz CAPXXFJTKXIQSN-UHFFFAOYSA-N 1 0 217.316 1.553 50 0 BDAARO C[C@H]1CCCCN1c1ncccc1C[NH3+] ZINC000022213541 132332628 /nfs/dbraw/zinc/33/26/28/132332628.db2.gz KVIWSTMOQOLQKW-JTQLQIEISA-N 1 0 205.305 1.919 50 0 BDAARO C[C@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000022220881 132332705 /nfs/dbraw/zinc/33/27/05/132332705.db2.gz OCELIUHQIMCMKY-JTQLQIEISA-N 1 0 205.305 1.777 50 0 BDAARO c1coc(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000026420658 132333542 /nfs/dbraw/zinc/33/35/42/132333542.db2.gz JOJLWRSXVULWEK-UHFFFAOYSA-N 1 0 230.271 1.146 50 0 BDAARO CC(C)COc1cccc(N2CC[NH+](C)CC2)n1 ZINC000028225745 132334036 /nfs/dbraw/zinc/33/40/36/132334036.db2.gz KFLQUSLBERJMQX-UHFFFAOYSA-N 1 0 249.358 1.868 50 0 BDAARO C[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000032090295 132335178 /nfs/dbraw/zinc/33/51/78/132335178.db2.gz UIDUTTRCQOJTAK-NSHDSACASA-N 1 0 238.306 1.329 50 0 BDAARO FC(F)(F)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC000037408734 132344319 /nfs/dbraw/zinc/34/43/19/132344319.db2.gz ROLJHVUEZZXDFL-UHFFFAOYSA-N 1 0 246.232 1.995 50 0 BDAARO COc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1 ZINC000040175320 132347102 /nfs/dbraw/zinc/34/71/02/132347102.db2.gz FJTOXVYVSOGWQA-UHFFFAOYSA-N 1 0 243.310 1.653 50 0 BDAARO NC(=[NH2+])[C@@H]1CN(c2ccccc2)C(=O)NC1=O ZINC000063110789 132389845 /nfs/dbraw/zinc/38/98/45/132389845.db2.gz IXWAAVOKADHTFP-QMMMGPOBSA-N 1 0 232.243 1.135 50 0 BDAARO C[C@@H]1CN(C(=O)CC[NH3+])c2ccc(F)cc2O1 ZINC000084788357 132426683 /nfs/dbraw/zinc/42/66/83/132426683.db2.gz XSTSEDVBDHXRTD-MRVPVSSYSA-N 1 0 238.262 1.288 50 0 BDAARO Cc1nc2ccccc2c(N2CC[NH2+]CC2)n1 ZINC000002200425 132446820 /nfs/dbraw/zinc/44/68/20/132446820.db2.gz YSIQEDGYIBDSSH-UHFFFAOYSA-N 1 0 228.299 1.348 50 0 BDAARO O[C@]1(C(F)F)CC[N@H+](Cc2ccco2)C1 ZINC000336207029 134132185 /nfs/dbraw/zinc/13/21/85/134132185.db2.gz FYQXNTYRMXPLIL-SNVBAGLBSA-N 1 0 217.215 1.482 50 0 BDAARO C[C@@H]1C[N@@H+](C[C@H]2CCCCO2)C[C@H](C)O1 ZINC000180288150 134328473 /nfs/dbraw/zinc/32/84/73/134328473.db2.gz GOUMEBZCQCSBQA-GRYCIOLGSA-N 1 0 213.321 1.665 50 0 BDAARO CSC[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000253393600 135127159 /nfs/dbraw/zinc/12/71/59/135127159.db2.gz SJGDZAHHCYMHQE-GARJFASQSA-N 1 0 244.404 1.571 50 0 BDAARO COc1ccc2c(c1)[n+](=O)c1c(n2O)CCCC1 ZINC000334157093 135321905 /nfs/dbraw/zinc/32/19/05/135321905.db2.gz MCAKBHFMCYYGJI-UHFFFAOYSA-N 1 0 247.274 1.681 50 0 BDAARO C[C@@H](NC(=O)Nc1cncc(F)c1)[C@H](C)[NH3+] ZINC000335179675 135933925 /nfs/dbraw/zinc/93/39/25/135933925.db2.gz XLKAMVQUUGBZAE-NKWVEPMBSA-N 1 0 226.255 1.078 50 0 BDAARO C[NH+](C)CCCOC(=O)c1cccs1 ZINC000001798487 397774681 /nfs/dbraw/zinc/77/46/81/397774681.db2.gz YHTCAUSLOMKNKJ-UHFFFAOYSA-N 1 0 213.302 1.857 50 0 BDAARO Cc1occc1C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000070175968 397977982 /nfs/dbraw/zinc/97/79/82/397977982.db2.gz VIGYWYGMTFEZJJ-JOYOIKCWSA-N 1 0 236.315 1.787 50 0 BDAARO C[N@H+](CC(=O)Nc1ccncc1)C1CCCC1 ZINC000058167917 398071075 /nfs/dbraw/zinc/07/10/75/398071075.db2.gz HYOCHERUWDQIFQ-UHFFFAOYSA-N 1 0 233.315 1.895 50 0 BDAARO COCCC[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000075606622 398130941 /nfs/dbraw/zinc/13/09/41/398130941.db2.gz PQKHWDNIWZLAJY-WDEREUQCSA-N 1 0 211.309 1.459 50 0 BDAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1ccco1)C2 ZINC000670471204 487529655 /nfs/dbraw/zinc/52/96/55/487529655.db2.gz KYGSKKJZFZHNBI-RYUDHWBXSA-N 1 0 248.326 1.836 50 0 BDAARO CC(C)Oc1ccc([C@H](C[NH3+])CC(N)=O)cc1 ZINC000000518357 167301306 /nfs/dbraw/zinc/30/13/06/167301306.db2.gz FECWMCGBKDFAHF-NSHDSACASA-N 1 0 236.315 1.392 50 0 biogenic BDAARO FCC1C[NH+](Cc2ccc3c[nH]nc3c2)C1 ZINC000335247303 487612735 /nfs/dbraw/zinc/61/27/35/487612735.db2.gz BTFBULMYANLYTP-UHFFFAOYSA-N 1 0 219.263 1.964 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC([NH3+])C[C@H]2C1 ZINC000076675039 410062009 /nfs/dbraw/zinc/06/20/09/410062009.db2.gz DPYIUHWPQGIBSS-IUCAKERBSA-N 1 0 226.320 1.591 50 0 BDAARO Brc1ccc(OC2C[NH2+]C2)cc1 ZINC000002548668 166097580 /nfs/dbraw/zinc/09/75/80/166097580.db2.gz FWLCPBKLVSGXQV-UHFFFAOYSA-N 1 0 228.089 1.800 50 0 BDAARO Brc1ccc([C@@H]2C[NH2+]CCN2)cc1 ZINC000089222291 166099178 /nfs/dbraw/zinc/09/91/78/166099178.db2.gz ZXWFFOCOSVMOPB-JTQLQIEISA-N 1 0 241.132 1.683 50 0 BDAARO CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH3+] ZINC000095742941 166642684 /nfs/dbraw/zinc/64/26/84/166642684.db2.gz MHRFRDWLNRHXMY-ZETCQYMHSA-N 1 0 236.262 1.590 50 0 BDAARO CC(C)(C)OC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000020285674 166659471 /nfs/dbraw/zinc/65/94/71/166659471.db2.gz XVXPJMGYUOYFOT-UHFFFAOYSA-N 1 0 226.320 1.781 50 0 BDAARO CCN(CC)CC[N@@H+]1CCC[C@@]1(C)CO ZINC000097135280 169777510 /nfs/dbraw/zinc/77/75/10/169777510.db2.gz UDZARAPHNOQNIZ-LBPRGKRZSA-N 1 0 214.353 1.175 50 0 BDAARO CC(C)NC(=O)C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000042123271 167051242 /nfs/dbraw/zinc/05/12/42/167051242.db2.gz WJJTZRISDSICRT-JTQLQIEISA-N 1 0 224.348 1.774 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000002451065 167111722 /nfs/dbraw/zinc/11/17/22/167111722.db2.gz IMHNLBMRIAQKAX-CYBMUJFWSA-N 1 0 223.316 1.562 50 0 BDAARO CC(C)[C@@H](C)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000070534255 167348964 /nfs/dbraw/zinc/34/89/64/167348964.db2.gz IRUXBDVBSZWLAP-GHMZBOCLSA-N 1 0 212.337 1.476 50 0 BDAARO C[N@H+](CC(=O)N1CCOCC1)C1CCCCC1 ZINC000066215879 411204500 /nfs/dbraw/zinc/20/45/00/411204500.db2.gz AXTBIXGNTVNPRA-UHFFFAOYSA-N 1 0 240.347 1.110 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044501641 167827691 /nfs/dbraw/zinc/82/76/91/167827691.db2.gz NFKVRSYKBWFTIP-GULOHRGCSA-N 1 0 210.321 1.459 50 0 BDAARO O=C1Nc2ccc(F)cc2C2(C[NH2+]C2)O1 ZINC000261508449 411320866 /nfs/dbraw/zinc/32/08/66/411320866.db2.gz SONRVANAEBUVIT-UHFFFAOYSA-N 1 0 208.192 1.186 50 0 BDAARO CC1=C(C)[N+](=O)[C@@]2(O)CCCC[C@]2(C)N1O ZINC000013133385 168087014 /nfs/dbraw/zinc/08/70/14/168087014.db2.gz UFRVCKXTIFWVNH-WDEREUQCSA-N 1 0 227.284 1.743 50 0 BDAARO CC1CC[NH+](CCNC(=O)c2cccnc2)CC1 ZINC000044941607 168181341 /nfs/dbraw/zinc/18/13/41/168181341.db2.gz TUDSBINCVBZPQD-UHFFFAOYSA-N 1 0 247.342 1.543 50 0 BDAARO CCC(=O)NCc1ccccc1Cn1ccnc1 ZINC000032859984 168232792 /nfs/dbraw/zinc/23/27/92/168232792.db2.gz BGEPBWUQZAPBCE-UHFFFAOYSA-N 1 0 243.310 1.958 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]([NH3+])COC(C)C)cn1 ZINC000659318177 411392964 /nfs/dbraw/zinc/39/29/64/411392964.db2.gz ZRVIOPGTRZQLMF-NSHDSACASA-N 1 0 237.303 1.081 50 0 BDAARO CC[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000019536566 169995621 /nfs/dbraw/zinc/99/56/21/169995621.db2.gz QXEUVNKKZMSAGO-UHFFFAOYSA-N 1 0 222.307 1.963 50 0 BDAARO CCNC(=O)C[N@H+](CC)CCSCC ZINC000071921409 170055982 /nfs/dbraw/zinc/05/59/82/170055982.db2.gz WBPYIANQFZJCFG-UHFFFAOYSA-N 1 0 218.366 1.198 50 0 BDAARO CCNC(=O)COc1cccc([C@@H](C)[NH3+])c1 ZINC000022215823 170068587 /nfs/dbraw/zinc/06/85/87/170068587.db2.gz MBTBZNHAURSRON-SECBINFHSA-N 1 0 222.288 1.221 50 0 BDAARO CC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000061288898 170107919 /nfs/dbraw/zinc/10/79/19/170107919.db2.gz OBHQLWXQDNMTKX-UHFFFAOYSA-N 1 0 212.337 1.681 50 0 BDAARO CC[NH2+]C[C@@H](O)COc1ccc(C)cc1OC ZINC000003117205 170118926 /nfs/dbraw/zinc/11/89/26/170118926.db2.gz GLLCAPGOMRQWDH-LLVKDONJSA-N 1 0 239.315 1.353 50 0 BDAARO CC[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000003327350 170138193 /nfs/dbraw/zinc/13/81/93/170138193.db2.gz NWIGWRRGIBDVBP-JTQLQIEISA-N 1 0 206.289 1.932 50 0 BDAARO CCNc1c(N)c[nH+]cc1Br ZINC000042750174 170171468 /nfs/dbraw/zinc/17/14/68/170171468.db2.gz GMVUJEJUOUSPCP-UHFFFAOYSA-N 1 0 216.082 1.858 50 0 BDAARO CCOC(=O)CC1=CSC2=NCCN12 ZINC000000091663 170197985 /nfs/dbraw/zinc/19/79/85/170197985.db2.gz IWXSEVRNVJJFOY-UHFFFAOYSA-N 1 0 212.274 1.199 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000038314374 170230855 /nfs/dbraw/zinc/23/08/55/170230855.db2.gz BBVPEOYCQVUHMT-NSHDSACASA-N 1 0 207.273 1.510 50 0 BDAARO CCOC(=O)C[C@H]1[NH2+]CCc2ccccc21 ZINC000021867011 170234182 /nfs/dbraw/zinc/23/41/82/170234182.db2.gz JNBDCWJGYVMSIN-GFCCVEGCSA-N 1 0 219.284 1.827 50 0 BDAARO CCOC(=O)[C@@]1(Cc2ccncc2)CCC[NH2+]C1 ZINC000002513087 170263018 /nfs/dbraw/zinc/26/30/18/170263018.db2.gz UHEMKEWUSZCAAU-CQSZACIVSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)[C@H]([NH3+])C1CCC(F)(F)CC1 ZINC000095774671 170273774 /nfs/dbraw/zinc/27/37/74/170273774.db2.gz KQQNGTCKYDTLDL-MRVPVSSYSA-N 1 0 221.247 1.702 50 0 BDAARO CCOC(=O)[C@H]1CCCC[C@]12[NH2+]CCS2 ZINC000095933051 170280108 /nfs/dbraw/zinc/28/01/08/170280108.db2.gz YALOUAXWOGQLRS-MWLCHTKSSA-N 1 0 229.345 1.772 50 0 BDAARO CCOC(=O)c1ccc(N2CCC[NH2+]CC2)nc1 ZINC000022176582 170296053 /nfs/dbraw/zinc/29/60/53/170296053.db2.gz SBGWSGCOWAHBCE-UHFFFAOYSA-N 1 0 249.314 1.058 50 0 BDAARO CCOC(=O)c1ccccc1OC[C@@H]1CC[NH2+]C1 ZINC000042771207 170300120 /nfs/dbraw/zinc/30/01/20/170300120.db2.gz JXZWKAYSTNVHIQ-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO CCOC(CN1CCOCC12CCC2)OCC ZINC000097141161 170314994 /nfs/dbraw/zinc/31/49/94/170314994.db2.gz ANTPIMMOYNQTDU-UHFFFAOYSA-N 1 0 243.347 1.640 50 0 BDAARO CCOCCCNC1=[NH+][C@@H](CC)CS1 ZINC000003885641 170380519 /nfs/dbraw/zinc/38/05/19/170380519.db2.gz SKWVJJJQXOOGAN-VIFPVBQESA-N 1 0 216.350 1.884 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000071920058 170397803 /nfs/dbraw/zinc/39/78/03/170397803.db2.gz ZHHJFRXPADBSCU-VXGBXAGGSA-N 1 0 215.337 1.648 50 0 BDAARO CCOCC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374542574 170398319 /nfs/dbraw/zinc/39/83/19/170398319.db2.gz VQKKIADTNRVPEM-SNVBAGLBSA-N 1 0 224.308 1.021 50 0 BDAARO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CCC1CC1 ZINC000182676705 170794121 /nfs/dbraw/zinc/79/41/21/170794121.db2.gz GSMCCVIZSQYQCV-KOLCDFICSA-N 1 0 212.337 1.618 50 0 BDAARO CC(C)[C@H](O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661958850 411920053 /nfs/dbraw/zinc/92/00/53/411920053.db2.gz YOSDPSCSWOZPPN-GFCCVEGCSA-N 1 0 239.359 1.839 50 0 BDAARO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)N(C)CC ZINC000095462638 171388510 /nfs/dbraw/zinc/38/85/10/171388510.db2.gz QLNGLKHGGCZPQR-QWRGUYRKSA-N 1 0 214.353 1.879 50 0 BDAARO CC[C@H]1C[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000022130172 171668255 /nfs/dbraw/zinc/66/82/55/171668255.db2.gz VNZZRCPXJDZCIR-UWVGGRQHSA-N 1 0 228.336 1.899 50 0 BDAARO CCc1csc(CN[C@H]2CCC[NH2+]C2)n1 ZINC000067956069 171930655 /nfs/dbraw/zinc/93/06/55/171930655.db2.gz LIPFMTLEXGTWHS-JTQLQIEISA-N 1 0 225.361 1.547 50 0 BDAARO CCc1oc(C(=O)N2CCC([NH3+])CC2)cc1C ZINC000237075331 172109715 /nfs/dbraw/zinc/10/97/15/172109715.db2.gz LBJVJOVRNHNCKU-UHFFFAOYSA-N 1 0 236.315 1.714 50 0 BDAARO CCn1c(C)cc(C(=O)N2CCC[NH2+]CC2)c1C ZINC000237201968 172135996 /nfs/dbraw/zinc/13/59/96/172135996.db2.gz ITOCHKSFAOPIJP-UHFFFAOYSA-N 1 0 249.358 1.560 50 0 BDAARO CCn1c(CCCCC[NH3+])nnc1SC ZINC000004206542 172143607 /nfs/dbraw/zinc/14/36/07/172143607.db2.gz FKKQDRISFZLVNQ-UHFFFAOYSA-N 1 0 228.365 1.691 50 0 BDAARO CCn1nccc1C[NH2+]CCC(C)(C)O ZINC000274733315 172271693 /nfs/dbraw/zinc/27/16/93/172271693.db2.gz IANXSMQYHKAKCI-UHFFFAOYSA-N 1 0 211.309 1.154 50 0 BDAARO CN(C(=O)C1CC[NH2+]CC1)C1CCCCC1 ZINC000019412699 172299237 /nfs/dbraw/zinc/29/92/37/172299237.db2.gz LKYPMTTUGYIDGD-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)C1CCOCC1 ZINC000036321017 172331652 /nfs/dbraw/zinc/33/16/52/172331652.db2.gz UAGHYIRYZJDVBP-CYBMUJFWSA-N 1 0 248.326 1.324 50 0 BDAARO CN(C)C(=O)C(C)(C)[NH2+]C[C@@H]1CC=CCC1 ZINC000095433991 172353437 /nfs/dbraw/zinc/35/34/37/172353437.db2.gz MPCJJSIILVUAIR-LLVKDONJSA-N 1 0 224.348 1.799 50 0 BDAARO CN(C)C(=O)CCCCCCCC[NH3+] ZINC000005215592 172356491 /nfs/dbraw/zinc/35/64/91/172356491.db2.gz YSHVLEPEHBMIMP-UHFFFAOYSA-N 1 0 200.326 1.764 50 0 BDAARO C[NH+](C)CCCNC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000002773387 172440083 /nfs/dbraw/zinc/44/00/83/172440083.db2.gz CRFRLGAHNGYWIG-KBPBESRZSA-N 1 0 246.354 1.858 50 0 BDAARO C[N@@H+]1CCCN(C(=O)CCc2ccco2)CC1 ZINC000032820123 173011773 /nfs/dbraw/zinc/01/17/73/173011773.db2.gz MGJQHCPADIXVOO-UHFFFAOYSA-N 1 0 236.315 1.376 50 0 BDAARO C[N@@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000012381414 173012504 /nfs/dbraw/zinc/01/25/04/173012504.db2.gz VTJDSCXHNGYGDB-UHFFFAOYSA-N 1 0 212.337 1.587 50 0 BDAARO C[N@@H+]1CCC[C@H](OC(=O)c2ccccc2)C1 ZINC000039203852 173046730 /nfs/dbraw/zinc/04/67/30/173046730.db2.gz YWDRCXARSAQKAK-LBPRGKRZSA-N 1 0 219.284 1.938 50 0 BDAARO C[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000019823075 173089409 /nfs/dbraw/zinc/08/94/09/173089409.db2.gz FPSSOSDLJGHUJK-UHFFFAOYSA-N 1 0 208.280 1.573 50 0 BDAARO CNC(=O)C(C)(C)C[NH2+][C@@H](C)C1(C)CC1 ZINC000134886979 173220563 /nfs/dbraw/zinc/22/05/63/173220563.db2.gz LPYVYOFNRFLOEF-VIFPVBQESA-N 1 0 212.337 1.537 50 0 BDAARO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C=CCCC1 ZINC000242304960 173299490 /nfs/dbraw/zinc/29/94/90/173299490.db2.gz YTPMHXFZITVUMD-TUAOUCFPSA-N 1 0 222.332 1.599 50 0 BDAARO C[NH2+]CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000035018048 173332535 /nfs/dbraw/zinc/33/25/35/173332535.db2.gz BYUUKMXAXDECEP-LLVKDONJSA-N 1 0 246.354 1.962 50 0 BDAARO C[NH2+]CC1(F)CN(C(=O)OC(C)(C)C)C1 ZINC000095743460 173337590 /nfs/dbraw/zinc/33/75/90/173337590.db2.gz OKKSSXCNTJURBZ-UHFFFAOYSA-N 1 0 218.272 1.165 50 0 BDAARO C[NH2+]CCCNC(=O)c1cc2ccccc2[nH]1 ZINC000013956839 173349243 /nfs/dbraw/zinc/34/92/43/173349243.db2.gz MYZSITRTXZZMHX-UHFFFAOYSA-N 1 0 231.299 1.507 50 0 BDAARO C[NH2+]CCN(C)C(=O)c1cc(F)ccc1C ZINC000069801649 173351858 /nfs/dbraw/zinc/35/18/58/173351858.db2.gz RRRRIFKFRKJGMA-UHFFFAOYSA-N 1 0 224.279 1.426 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 ZINC000269186445 173369165 /nfs/dbraw/zinc/36/91/65/173369165.db2.gz GLDASHBYNZASMT-ZDUSSCGKSA-N 1 0 247.342 1.143 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2OC)C1 ZINC000071143962 173369772 /nfs/dbraw/zinc/36/97/72/173369772.db2.gz IZXKEQNDNRFLEH-NSHDSACASA-N 1 0 248.326 1.377 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cncc(C)c1 ZINC000122579295 173379908 /nfs/dbraw/zinc/37/99/08/173379908.db2.gz GERXOWGABVVUSF-GFCCVEGCSA-N 1 0 233.315 1.214 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2cccnc2)C1 ZINC000178996654 173380519 /nfs/dbraw/zinc/38/05/19/173380519.db2.gz RIFPLLIEXOXHEJ-MUBLQREKSA-N 1 0 245.326 1.163 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(OC)c2)C1 ZINC000071144010 173380808 /nfs/dbraw/zinc/38/08/08/173380808.db2.gz YWKZDOOCCDQEQE-LLVKDONJSA-N 1 0 248.326 1.377 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C)n2)C1 ZINC000053202634 173432453 /nfs/dbraw/zinc/43/24/53/173432453.db2.gz ZLRUVKDTWZZDGQ-LLVKDONJSA-N 1 0 233.315 1.214 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1ccccc1C ZINC000020579352 173796302 /nfs/dbraw/zinc/79/63/02/173796302.db2.gz RZYQLWMZOHZAMK-NSHDSACASA-N 1 0 207.273 1.285 50 0 BDAARO COC(=O)c1cccc(O[C@@H]2CC[NH2+]C2)c1 ZINC000014632185 173897108 /nfs/dbraw/zinc/89/71/08/173897108.db2.gz LADDVOFIZGVTHO-LLVKDONJSA-N 1 0 221.256 1.214 50 0 BDAARO COCCCCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000096461822 174178302 /nfs/dbraw/zinc/17/83/02/174178302.db2.gz IGXNGSLAUNRFRV-UHFFFAOYSA-N 1 0 242.363 1.356 50 0 BDAARO COCCCCC[NH2+][C@H](C)[C@@H](C)CO ZINC000095941351 174184340 /nfs/dbraw/zinc/18/43/40/174184340.db2.gz YDTLSCPIBFAYMI-WDEREUQCSA-N 1 0 203.326 1.410 50 0 BDAARO COCCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000037232462 174246721 /nfs/dbraw/zinc/24/67/21/174246721.db2.gz JOVMPGNLILJCMN-UHFFFAOYSA-N 1 0 246.314 1.598 50 0 BDAARO COCC[N@H+](C)CCOc1ccc(OC)cc1 ZINC000053400536 174279769 /nfs/dbraw/zinc/27/97/69/174279769.db2.gz YMUJCIAZUNINGR-UHFFFAOYSA-N 1 0 239.315 1.652 50 0 BDAARO COCCN(CC(C)C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091539420 174287282 /nfs/dbraw/zinc/28/72/82/174287282.db2.gz IPYJEPWKOZWAIX-VXGBXAGGSA-N 1 0 242.363 1.245 50 0 BDAARO COCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000053778371 174309443 /nfs/dbraw/zinc/30/94/43/174309443.db2.gz MQMHOYXDJHIYGD-UHFFFAOYSA-N 1 0 234.343 1.451 50 0 BDAARO COCC[N@@H+]1CCN(CC=C(C)C)C[C@@H]1C ZINC000069847454 174309823 /nfs/dbraw/zinc/30/98/23/174309823.db2.gz RXIWXBQBGGUKSI-ZDUSSCGKSA-N 1 0 226.364 1.605 50 0 BDAARO COCC[N@@H+]1CC[C@H](OC(C)=O)[C@@H](C)[C@@H]1C ZINC000002492551 174316199 /nfs/dbraw/zinc/31/61/99/174316199.db2.gz IJRVCTCXVNZQPX-NHCYSSNCSA-N 1 0 229.320 1.295 50 0 BDAARO CO[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000088058873 174671557 /nfs/dbraw/zinc/67/15/57/174671557.db2.gz SLDHIJNCYFZXOV-WCQYABFASA-N 1 0 248.326 1.194 50 0 BDAARO COc1cc(CN2CC[NH2+]CC2)cc(OC)c1 ZINC000019801361 174981209 /nfs/dbraw/zinc/98/12/09/174981209.db2.gz QBONNKXMYASOKV-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COc1cc2cc(CC[NH3+])c(=O)[nH]c2c(OC)c1 ZINC000011980477 175007815 /nfs/dbraw/zinc/00/78/15/175007815.db2.gz PQZMYPRNVWHUHF-UHFFFAOYSA-N 1 0 248.282 1.047 50 0 BDAARO COc1cc(OC)cc([C@H](O)C[NH2+]C(C)C)c1 ZINC000012336854 175011040 /nfs/dbraw/zinc/01/10/40/175011040.db2.gz AOFVOHIPSQYJEE-CYBMUJFWSA-N 1 0 239.315 1.735 50 0 BDAARO COc1ccc(-c2nc3c([nH]2)C[NH2+]CC3)cc1F ZINC000097402440 175040772 /nfs/dbraw/zinc/04/07/72/175040772.db2.gz IXHXQFYUAJXQSV-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO COc1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000000109796 175053095 /nfs/dbraw/zinc/05/30/95/175053095.db2.gz ZYKYHSIACDLOCE-UHFFFAOYSA-N 1 0 219.284 1.878 50 0 BDAARO COc1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC000004312869 175056100 /nfs/dbraw/zinc/05/61/00/175056100.db2.gz ZQYJMOCUSKKLCT-UHFFFAOYSA-N 1 0 234.299 1.259 50 0 BDAARO COc1ccc(C(=O)[C@@H]2CCC[NH2+]2)cc1C ZINC000011630665 175065628 /nfs/dbraw/zinc/06/56/28/175065628.db2.gz KZXYNEFWZFRCRN-NSHDSACASA-N 1 0 219.284 1.938 50 0 BDAARO COc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000011630749 175065657 /nfs/dbraw/zinc/06/56/57/175065657.db2.gz ZAYJPPSSBDHUAG-LLVKDONJSA-N 1 0 249.310 1.886 50 0 BDAARO COc1ccc(C)c2cc(C[NH3+])c(=O)[nH]c12 ZINC000011980234 175071386 /nfs/dbraw/zinc/07/13/86/175071386.db2.gz ANLQUZFRCZXJHZ-UHFFFAOYSA-N 1 0 218.256 1.304 50 0 BDAARO COc1ccc(C)cc1C[NH+]1CCC(O)CC1 ZINC000048343985 175075125 /nfs/dbraw/zinc/07/51/25/175075125.db2.gz QCYVUEZOOLDIGR-UHFFFAOYSA-N 1 0 235.327 1.960 50 0 BDAARO COc1ccc(CCCN2CC[NH2+]CC2)cc1 ZINC000019801381 175089641 /nfs/dbraw/zinc/08/96/41/175089641.db2.gz ZOZAKSDQKLIMRN-UHFFFAOYSA-N 1 0 234.343 1.533 50 0 BDAARO COc1ccc(CC[C@@H](C)[NH3+])c(OC)c1 ZINC000000518636 175092544 /nfs/dbraw/zinc/09/25/44/175092544.db2.gz UKBLOGXWMZKKOJ-SECBINFHSA-N 1 0 209.289 1.984 50 0 biogenic BDAARO COc1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000001705872 175106023 /nfs/dbraw/zinc/10/60/23/175106023.db2.gz OGOJQUAOZLKENI-UHFFFAOYSA-N 1 0 209.289 1.556 50 0 BDAARO COc1ccc(C[C@@H](C)C[NH3+])cc1OC ZINC000011975099 175115041 /nfs/dbraw/zinc/11/50/41/175115041.db2.gz DKJSHDOWDCAAQI-SECBINFHSA-N 1 0 209.289 1.841 50 0 BDAARO COc1ccc(N(C(=O)C[NH3+])[C@H](C)C2CC2)cc1 ZINC000237248324 175135168 /nfs/dbraw/zinc/13/51/68/175135168.db2.gz RCPSFJYGKORFBJ-SNVBAGLBSA-N 1 0 248.326 1.785 50 0 BDAARO COc1ccc([C@@H]2C[C@H](C)N(C(=O)C[NH3+])C2)cc1 ZINC000237229045 175185593 /nfs/dbraw/zinc/18/55/93/175185593.db2.gz CAWLSRYSNYYPGW-CMPLNLGQSA-N 1 0 248.326 1.358 50 0 BDAARO COc1cccc(-c2noc(CC[NH3+])n2)c1 ZINC000020268676 175238530 /nfs/dbraw/zinc/23/85/30/175238530.db2.gz LHDJWHZTTVJUIU-UHFFFAOYSA-N 1 0 219.244 1.246 50 0 BDAARO COc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000071375436 175277372 /nfs/dbraw/zinc/27/73/72/175277372.db2.gz CLLXKBDFWHIYEL-NSHDSACASA-N 1 0 248.326 1.976 50 0 BDAARO COc1cccc([C@H](O)C[NH2+]C(C)C)c1 ZINC000012359670 175294726 /nfs/dbraw/zinc/29/47/26/175294726.db2.gz JZRMOFFUDLPSGK-GFCCVEGCSA-N 1 0 209.289 1.727 50 0 biogenic,in-vitro BDAARO COc1ccccc1-c1noc(C2C[NH2+]C2)n1 ZINC000048981077 175311483 /nfs/dbraw/zinc/31/14/83/175311483.db2.gz YYNJBCWYODRRPQ-UHFFFAOYSA-N 1 0 231.255 1.432 50 0 BDAARO COc1ccccc1CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246259 175320786 /nfs/dbraw/zinc/32/07/86/175320786.db2.gz WVRZZEJHWSIIHA-NSHDSACASA-N 1 0 248.326 1.045 50 0 BDAARO COc1ccccc1COC[C@H]1CC[NH2+]C1 ZINC000042771862 175332053 /nfs/dbraw/zinc/33/20/53/175332053.db2.gz RKAOFEAINXJGGY-NSHDSACASA-N 1 0 221.300 1.821 50 0 BDAARO COc1ccccc1C[C@H](C)[NH2+]CCN(C)C ZINC000022455711 175332998 /nfs/dbraw/zinc/33/29/98/175332998.db2.gz XNEYBSOUVRTVLD-LBPRGKRZSA-N 1 0 236.359 1.777 50 0 BDAARO COc1ccccc1C[n+]1cccc(C(N)=O)c1 ZINC000013135444 175334774 /nfs/dbraw/zinc/33/47/74/175334774.db2.gz AZWSDYYQLVXIFZ-UHFFFAOYSA-O 1 0 243.286 1.130 50 0 BDAARO COc1ccccc1NC1=NC(C)(C)NC(=[NH2+])N1 ZINC000003194663 175337105 /nfs/dbraw/zinc/33/71/05/175337105.db2.gz FGYZNLXWFDNKDG-UHFFFAOYSA-N 1 0 247.302 1.327 50 0 BDAARO CSCCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158409574 175476097 /nfs/dbraw/zinc/47/60/97/175476097.db2.gz SBDCJJIEUXUSBN-UWVGGRQHSA-N 1 0 230.377 1.373 50 0 BDAARO C[C@@H]([NH3+])[C@@H](O)c1ccc(Br)cc1 ZINC000020216878 175809431 /nfs/dbraw/zinc/80/94/31/175809431.db2.gz CLWNDLFWAFLCSS-HZGVNTEJSA-N 1 0 230.105 1.830 50 0 BDAARO C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000097108768 175877447 /nfs/dbraw/zinc/87/74/47/175877447.db2.gz OVBDUJMULIVHQI-YPMHNXCESA-N 1 0 237.347 1.510 50 0 BDAARO C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000083996116 176022288 /nfs/dbraw/zinc/02/22/88/176022288.db2.gz FRYGAYBIZYRVJX-NTZNESFSSA-N 1 0 248.326 1.322 50 0 BDAARO C[C@@H](c1ccccn1)[N@H+](C)CC(C)(CO)CO ZINC000095443003 176026333 /nfs/dbraw/zinc/02/63/33/176026333.db2.gz NYCCWNBQUAENEG-NSHDSACASA-N 1 0 238.331 1.065 50 0 BDAARO C[C@@H]1CCCN(C(=O)C2CCC2)[C@H]1C[NH3+] ZINC000069726570 176090939 /nfs/dbraw/zinc/09/09/39/176090939.db2.gz TWHODMUGBDIUMO-KOLCDFICSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)[C@@H]1C ZINC000237372269 176159973 /nfs/dbraw/zinc/15/99/73/176159973.db2.gz BUXCMGQFLAVFFM-BZPMIXESSA-N 1 0 246.354 1.986 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000237374099 176161725 /nfs/dbraw/zinc/16/17/25/176161725.db2.gz FXJSYDRITUJHMZ-NQBHXWOUSA-N 1 0 232.327 1.943 50 0 BDAARO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cccn1C ZINC000093739039 176228053 /nfs/dbraw/zinc/22/80/53/176228053.db2.gz FOXILAUISDUQKS-NEPJUHHUSA-N 1 0 222.332 1.618 50 0 BDAARO C[C@@H]1CN(C(=O)CC[NH3+])[C@H](c2ccccc2)CO1 ZINC000237410064 176245481 /nfs/dbraw/zinc/24/54/81/176245481.db2.gz WYZKQAIULGZMIN-YPMHNXCESA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1CN(CCOc2ccccc2F)CC[NH2+]1 ZINC000033359725 176292666 /nfs/dbraw/zinc/29/26/66/176292666.db2.gz HYKNUCXDWWXWKP-LLVKDONJSA-N 1 0 238.306 1.498 50 0 BDAARO C[C@@H]1CN(C[C@H]2CCCCC[NH2+]2)C[C@@H](C)O1 ZINC000216195031 176300746 /nfs/dbraw/zinc/30/07/46/176300746.db2.gz ZEFSYICWVYTDPY-JHJVBQTASA-N 1 0 226.364 1.628 50 0 BDAARO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000082164336 176414854 /nfs/dbraw/zinc/41/48/54/176414854.db2.gz WKMNQHVVKMVXIL-BDAKNGLRSA-N 1 0 214.309 1.509 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCC[NH2+]C1 ZINC000019409878 176452033 /nfs/dbraw/zinc/45/20/33/176452033.db2.gz NCQGMKPOEJHWRJ-YPMHNXCESA-N 1 0 244.338 1.964 50 0 BDAARO C[C@H]([NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000110647114 176754455 /nfs/dbraw/zinc/75/44/55/176754455.db2.gz ACHKJWIXQAMFSJ-NSHDSACASA-N 1 0 232.327 1.886 50 0 BDAARO C[C@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH2+]2)C1 ZINC000092742874 177093879 /nfs/dbraw/zinc/09/38/79/177093879.db2.gz LXTDAXNZJDWCHV-RYUDHWBXSA-N 1 0 240.347 1.997 50 0 BDAARO C[C@H]1CC[C@@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757193 177192578 /nfs/dbraw/zinc/19/25/78/177192578.db2.gz UIRHXVCMGIHNGY-GXSJLCMTSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccncc1 ZINC000069490683 177256491 /nfs/dbraw/zinc/25/64/91/177256491.db2.gz FJNHWCPRAHWMHH-NEPJUHHUSA-N 1 0 220.316 1.733 50 0 BDAARO C[C@@H]1COC[C@H](C)N1C(=O)CC1CC[NH2+]CC1 ZINC000237634614 177298367 /nfs/dbraw/zinc/29/83/67/177298367.db2.gz CZRVWMGONRIJPT-PHIMTYICSA-N 1 0 240.347 1.012 50 0 BDAARO C[C@H]1C[C@@H](C(=O)Nc2nccs2)CC[NH2+]1 ZINC000235711913 177309829 /nfs/dbraw/zinc/30/98/29/177309829.db2.gz SCEPGQLFOPZKJT-YUMQZZPRSA-N 1 0 225.317 1.470 50 0 BDAARO c1cnc2oc(N3CCC[NH2+]CC3)nc2c1 ZINC000034924888 487673252 /nfs/dbraw/zinc/67/32/52/487673252.db2.gz JQIDNOGDORBKGQ-UHFFFAOYSA-N 1 0 218.260 1.023 50 0 BDAARO C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CN(C)CCO1 ZINC000097103980 487831862 /nfs/dbraw/zinc/83/18/62/487831862.db2.gz KXSABBSWPRZXQW-NEPJUHHUSA-N 1 0 228.380 1.731 50 0 BDAARO CCNC(=O)C[N@@H+]1CC[C@H](OCCC(C)C)C1 ZINC000083689202 487927879 /nfs/dbraw/zinc/92/78/79/487927879.db2.gz VXRBODKKNIOQFZ-LBPRGKRZSA-N 1 0 242.363 1.260 50 0 BDAARO CC[N@H+](C)C1(CNC(=O)CCOC)CCCC1 ZINC000534581169 323153809 /nfs/dbraw/zinc/15/38/09/323153809.db2.gz TUPXGHBGQYQRLM-UHFFFAOYSA-N 1 0 242.363 1.404 50 0 BDAARO CN(Cc1ccoc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000534638546 323157059 /nfs/dbraw/zinc/15/70/59/323157059.db2.gz LOAKSDNCTXGDRT-LBPRGKRZSA-N 1 0 236.315 1.628 50 0 BDAARO C1COC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000071012449 487961149 /nfs/dbraw/zinc/96/11/49/487961149.db2.gz WJUITBOGBUJFFH-NXEZZACHSA-N 1 0 201.335 1.651 50 0 BDAARO Cc1cc(C[NH2+][C@@H](C)[C@@H](C)n2cccn2)on1 ZINC000084124341 488008314 /nfs/dbraw/zinc/00/83/14/488008314.db2.gz LWFFXWTUTRDUGE-WDEREUQCSA-N 1 0 234.303 1.919 50 0 BDAARO COC[C@@H](O)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000092256835 488088294 /nfs/dbraw/zinc/08/82/94/488088294.db2.gz SQQHJGUZQXEXTL-LBPRGKRZSA-N 1 0 241.306 1.573 50 0 BDAARO CCC1=NO[C@@H](CN2CCc3nc(C)[nH]c3C2)C1 ZINC000670433920 487485519 /nfs/dbraw/zinc/48/55/19/487485519.db2.gz DXHUNOPLFRMNKB-LLVKDONJSA-N 1 0 248.330 1.631 50 0 BDAARO NC(=O)C1([NH2+][C@H]2CCCOC2)CCCCCC1 ZINC000670444427 487492128 /nfs/dbraw/zinc/49/21/28/487492128.db2.gz JXBSNVOCRXYLEF-NSHDSACASA-N 1 0 240.347 1.333 50 0 BDAARO Cc1nc[nH]c1CN1C[C@H]2CCC[C@@H](C1)[N@H+](C)C2 ZINC000670445134 487493661 /nfs/dbraw/zinc/49/36/61/487493661.db2.gz RQPATKFQOUCXTD-STQMWFEESA-N 1 0 248.374 1.634 50 0 BDAARO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CCOCC1 ZINC000670446531 487495123 /nfs/dbraw/zinc/49/51/23/487495123.db2.gz OYGHQQPOEVHFMU-VXGBXAGGSA-N 1 0 240.347 1.012 50 0 BDAARO CC[C@@H]1C(=O)NCC[N@H+]1C[C@](C)(OC)C1CC1 ZINC000585117661 487502545 /nfs/dbraw/zinc/50/25/45/487502545.db2.gz QFMNRFFOZMXUSK-YPMHNXCESA-N 1 0 240.347 1.012 50 0 BDAARO Cc1ccccc1CN(C)[C@H]1CCOC1=O ZINC000048235568 490174841 /nfs/dbraw/zinc/17/48/41/490174841.db2.gz YELKDOWVNGUBRT-LBPRGKRZSA-N 1 0 219.284 1.742 50 0 BDAARO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccccc1)C2 ZINC000071788780 490277953 /nfs/dbraw/zinc/27/79/53/490277953.db2.gz QMEHNBRSMIVHJT-HNNXBMFYSA-N 1 0 244.338 1.789 50 0 BDAARO C[C@@]1(C(=O)Nc2ncccc2O)CCC[NH2+]C1 ZINC000135893122 490478004 /nfs/dbraw/zinc/47/80/04/490478004.db2.gz VYNKOGAAPQLCSQ-GFCCVEGCSA-N 1 0 235.287 1.115 50 0 BDAARO CC(C)OCCC[NH2+]Cc1cccnc1 ZINC000002598899 519764425 /nfs/dbraw/zinc/76/44/25/519764425.db2.gz JQNHRXMVGPRKSX-UHFFFAOYSA-N 1 0 208.305 1.986 50 0 BDAARO Cc1ccc(/C=C\C(=O)N[C@@H]2CCC[NH2+]C2)o1 ZINC000493816270 534251487 /nfs/dbraw/zinc/25/14/87/534251487.db2.gz GSLHDTHNWADLEE-JMEBYUIHSA-N 1 0 234.299 1.469 50 0 BDAARO C1CCN2[C@H](C1)[C@H]1CCC[NH2+][C@H]1N1CCCC[C@@H]21 ZINC000252427678 518580198 /nfs/dbraw/zinc/58/01/98/518580198.db2.gz BJPDKJGEOOTNHF-KBXIAJHMSA-N 1 0 249.402 1.992 50 0 BDAARO CC[NH+](CC)CC(=O)NCCc1cccs1 ZINC000057996063 520577981 /nfs/dbraw/zinc/57/79/81/520577981.db2.gz HGXNOQKQXJELAB-UHFFFAOYSA-N 1 0 240.372 1.749 50 0 BDAARO C[NH+](C)CCNC(=O)CSc1ccccc1 ZINC000002636165 521777318 /nfs/dbraw/zinc/77/73/18/521777318.db2.gz SBXWVNZZDFATGS-UHFFFAOYSA-N 1 0 238.356 1.457 50 0 BDAARO C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000241515563 524086060 /nfs/dbraw/zinc/08/60/60/524086060.db2.gz OGHGHPZBORJKGP-NWDGAFQWSA-N 1 0 240.347 1.014 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178584525 524151759 /nfs/dbraw/zinc/15/17/59/524151759.db2.gz ICPIWSLVADDXNP-GJBLVYBDSA-N 1 0 244.338 1.815 50 0 BDAARO Cc1cccc(CC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000084516189 524340636 /nfs/dbraw/zinc/34/06/36/524340636.db2.gz SKWWSUBJNNBDMV-GFCCVEGCSA-N 1 0 232.327 1.358 50 0 BDAARO COc1ccccc1[C@@H]1CCCN1C(=O)CC[NH3+] ZINC000083906196 524749789 /nfs/dbraw/zinc/74/97/89/524749789.db2.gz QLQMFEKRLPHKNQ-LBPRGKRZSA-N 1 0 248.326 1.708 50 0 BDAARO C[C@H](O)CN1CC[N@H+](CC2CCCC2)C[C@H]1C ZINC000247186128 525769096 /nfs/dbraw/zinc/76/90/96/525769096.db2.gz NXHMGKAEFFOXRS-OLZOCXBDSA-N 1 0 240.391 1.564 50 0 BDAARO Cc1cncc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000088451720 526179032 /nfs/dbraw/zinc/17/90/32/526179032.db2.gz WPVFLEOCHIBPPL-AAEUAGOBSA-N 1 0 247.342 1.589 50 0 BDAARO Cc1nsc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000252517543 526716468 /nfs/dbraw/zinc/71/64/68/526716468.db2.gz LCQJZTOZBSFLBE-UWVGGRQHSA-N 1 0 238.360 1.885 50 0 BDAARO CN1CCCc2c(N)c3c([nH+]c21)CCCC3 ZINC000000227962 536395109 /nfs/dbraw/zinc/39/51/09/536395109.db2.gz MTYQLBXYRWSILA-UHFFFAOYSA-N 1 0 217.316 1.925 50 0 BDAARO CC(C)(C)OC(=O)N1CC(C(C)(C)[NH3+])C1 ZINC000147006437 583127113 /nfs/dbraw/zinc/12/71/13/583127113.db2.gz JSBUPLLZKZGROS-UHFFFAOYSA-N 1 0 214.309 1.591 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@H]([NH3+])C[C@H]1C ZINC000757209071 586438023 /nfs/dbraw/zinc/43/80/23/586438023.db2.gz FOMAYWCETVDHGL-GLXFQSAKSA-N 1 0 244.342 1.869 50 0 BDAARO C[NH2+][C@H](C)CNC(=O)c1csc(Cl)n1 ZINC000864095786 589344758 /nfs/dbraw/zinc/34/47/58/589344758.db2.gz BWBZYQCYDHQXTO-RXMQYKEDSA-N 1 0 233.724 1.134 50 0 BDAARO NC(=O)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000097095346 631271067 /nfs/dbraw/zinc/27/10/67/631271067.db2.gz IFUXYQGISZWIHU-KBPBESRZSA-N 1 0 246.354 1.863 50 0 BDAARO C[C@@]12CC[N@H+](Cc3cn[nH]n3)C[C@@H]1C2(F)F ZINC000336275605 635901278 /nfs/dbraw/zinc/90/12/78/635901278.db2.gz XGSKPDKVGOHKHZ-DTWKUNHWSA-N 1 0 228.246 1.282 50 0 BDAARO Cc1ccc(CCC[N@@H+](C)C[C@H](O)CO)cc1 ZINC000019799135 633800012 /nfs/dbraw/zinc/80/00/12/633800012.db2.gz RJVYGCTVIWGUGM-AWEZNQCLSA-N 1 0 237.343 1.213 50 0 BDAARO COC[C@H](C)[NH2+]CCc1nncn1C(C)C ZINC000129657504 640518116 /nfs/dbraw/zinc/51/81/16/640518116.db2.gz CCKWGHLNNWSKJY-JTQLQIEISA-N 1 0 226.324 1.026 50 0 BDAARO CCc1n[nH]c(C[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000019742274 643044213 /nfs/dbraw/zinc/04/42/13/643044213.db2.gz JNYAZLMVWNBZHW-LLVKDONJSA-N 1 0 237.347 1.627 50 0 BDAARO CN(C)c1ncccc1C[NH2+]C[C@H]1CCOC1 ZINC000020205349 643058186 /nfs/dbraw/zinc/05/81/86/643058186.db2.gz QZDVBMZNXPGZGJ-LLVKDONJSA-N 1 0 235.331 1.274 50 0 BDAARO C[C@@H](CN(C)CCO)[NH2+]Cc1cccc(F)c1 ZINC000952973854 644446775 /nfs/dbraw/zinc/44/67/75/644446775.db2.gz SBISKFNPVRWOAG-NSHDSACASA-N 1 0 240.322 1.228 50 0 BDAARO C[C@@H]1SCC[C@]1(O)[C@@H]([NH3+])C(C)(C)C ZINC000958527989 644806582 /nfs/dbraw/zinc/80/65/82/644806582.db2.gz KZGMCXVPYMRNCI-OYNCUSHFSA-N 1 0 203.351 1.616 50 0 BDAARO [NH3+][C@@H](C1CCCC1)[C@]1(O)CCSC1 ZINC000958528159 644806280 /nfs/dbraw/zinc/80/62/80/644806280.db2.gz KEGQCYDURRXOQQ-UWVGGRQHSA-N 1 0 201.335 1.372 50 0 BDAARO [NH3+][C@H](c1nccs1)[C@]1(O)CCSC1 ZINC000958527615 644806648 /nfs/dbraw/zinc/80/66/48/644806648.db2.gz BIZBKNWUSQWMBQ-SVRRBLITSA-N 1 0 216.331 1.011 50 0 BDAARO NC(=O)c1ccc(NNC2CCCC2)[nH+]c1 ZINC000536955593 711799144 /nfs/dbraw/zinc/79/91/44/711799144.db2.gz ZURPBJWNKSXNIM-UHFFFAOYSA-N 1 0 220.276 1.040 50 0 BDAARO C[C@@H]1CN(C(=N)C(F)(F)F)C[C@@H](C)[NH2+]1 ZINC000725325680 710755432 /nfs/dbraw/zinc/75/54/32/710755432.db2.gz AGDWXLMFJKFXKD-PHDIDXHHSA-N 1 0 209.215 1.208 50 0 BDAARO O=C1CC2(CN1)CCN(c1cc[nH+]cc1)CC2 ZINC000077489849 710914148 /nfs/dbraw/zinc/91/41/48/710914148.db2.gz QYZVCQDMHBKCGX-UHFFFAOYSA-N 1 0 231.299 1.188 50 0 BDAARO Cc1n[nH]cc1CCC[NH2+]Cc1cscn1 ZINC000048556815 711771038 /nfs/dbraw/zinc/77/10/38/711771038.db2.gz XIOSAPOZDIJZFX-UHFFFAOYSA-N 1 0 236.344 1.897 50 0 BDAARO FC(F)(F)c1ccnc(C2C[NH2+]C2)n1 ZINC000707907666 712172968 /nfs/dbraw/zinc/17/29/68/712172968.db2.gz VGESVYINJPDGAL-UHFFFAOYSA-N 1 0 203.167 1.182 50 0 BDAARO CC[NH+](CC)C[C@]1(C)NCCc2nc[nH]c21 ZINC000065384062 712390342 /nfs/dbraw/zinc/39/03/42/712390342.db2.gz WXQTXMCDQNWCMK-LBPRGKRZSA-N 1 0 222.336 1.112 50 0 BDAARO CC[C@H]1COC[C@@H]1[NH2+]Cc1scnc1C ZINC000699482532 965912671 /nfs/dbraw/zinc/91/26/71/965912671.db2.gz DUUCGQVECMEDEQ-UWVGGRQHSA-N 1 0 226.345 1.966 50 0 BDAARO O=C1NCC[C@]12CCC[N@@H+]2C1CCCCC1 ZINC000585117345 972148913 /nfs/dbraw/zinc/14/89/13/972148913.db2.gz ZCAHHXQOPCFUMZ-CYBMUJFWSA-N 1 0 222.332 1.674 50 0 BDAARO CCOc1ccc(C[NH2+]CC(OC)OC)cc1 ZINC000037388267 957741866 /nfs/dbraw/zinc/74/18/66/957741866.db2.gz ZBANIMRVIZIGRZ-UHFFFAOYSA-N 1 0 239.315 1.794 50 0 BDAARO CC(C)S(=O)(=O)NCC1([NH+](C)C)CCCC1 ZINC000108879837 964409520 /nfs/dbraw/zinc/40/95/20/964409520.db2.gz XXRMDCNBCZPMDS-UHFFFAOYSA-N 1 0 248.392 1.189 50 0 BDAARO Cc1nccn1CC[C@H](C)[NH2+]CCc1ncc[nH]1 ZINC000821181750 968484815 /nfs/dbraw/zinc/48/48/15/968484815.db2.gz KNZZNSHRQKBIEN-NSHDSACASA-N 1 0 247.346 1.526 50 0 BDAARO Cc1cc(C[N@H+](C)C[C@@H]2CCC(=O)O2)ccn1 ZINC000823714988 968556848 /nfs/dbraw/zinc/55/68/48/968556848.db2.gz CSBFXZVCAHTYEX-LBPRGKRZSA-N 1 0 234.299 1.527 50 0 BDAARO C[N@H+](CCC1(O)CCCC1)C[C@@H]1CCC(=O)O1 ZINC000823688759 968557319 /nfs/dbraw/zinc/55/73/19/968557319.db2.gz AFUGCINXHVRCRJ-NSHDSACASA-N 1 0 241.331 1.319 50 0 BDAARO Cc1ccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])nn1 ZINC000585650899 973916080 /nfs/dbraw/zinc/91/60/80/973916080.db2.gz HKVGNPKVGXUFND-GXTWGEPZSA-N 1 0 241.294 1.789 50 0 BDAARO COC(=O)CCC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000234530419 343975587 /nfs/dbraw/zinc/97/55/87/343975587.db2.gz IJWPMOZAUYWHEL-MWLCHTKSSA-N 1 0 215.293 1.097 50 0 BDAARO Cc1cc(C)nc(SC[C@@H]2CCC[NH2+]2)n1 ZINC000051608111 177948066 /nfs/dbraw/zinc/94/80/66/177948066.db2.gz QZBKNNNLJYRQFB-JTQLQIEISA-N 1 0 223.345 1.938 50 0 BDAARO C[C@@]([NH2+]C1CC1)(C(N)=O)C1CCCCC1 ZINC000037946673 346809058 /nfs/dbraw/zinc/80/90/58/346809058.db2.gz WIIOXIFCUPCABY-LBPRGKRZSA-N 1 0 210.321 1.563 50 0 BDAARO COC(=O)[C@]12C[C@H]3C[C@H](C[C@@H](C1)[C@@H]3[NH3+])C2 ZINC000231916481 398144879 /nfs/dbraw/zinc/14/48/79/398144879.db2.gz IXBLQWDWMIYKKE-DANLNYFGSA-N 1 0 209.289 1.313 50 0 BDAARO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000074996929 178004591 /nfs/dbraw/zinc/00/45/91/178004591.db2.gz MNPPUVIAYSPDMQ-OLZOCXBDSA-N 1 0 235.331 1.652 50 0 BDAARO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C(C)C)C2)[nH]n1 ZINC000092020808 178007832 /nfs/dbraw/zinc/00/78/32/178007832.db2.gz OWCLOJZGEPHAMW-NEPJUHHUSA-N 1 0 222.336 1.133 50 0 BDAARO Cc1cc(C[NH2+][C@H]2CCC(=O)NC2(C)C)ccn1 ZINC000336223145 178038734 /nfs/dbraw/zinc/03/87/34/178038734.db2.gz FTMNGZDIKOPXQL-LBPRGKRZSA-N 1 0 247.342 1.537 50 0 BDAARO CCc1cc(N2CC([NH+](C)C)C2)nc(C)n1 ZINC000241657616 398161080 /nfs/dbraw/zinc/16/10/80/398161080.db2.gz PXTNLKRMCFKVTJ-UHFFFAOYSA-N 1 0 220.320 1.098 50 0 BDAARO Cc1cc(N2CCC[C@H](C)CC2)nc(N)[nH+]1 ZINC000071842029 178116006 /nfs/dbraw/zinc/11/60/06/178116006.db2.gz FSCHBCONUGSMIV-VIFPVBQESA-N 1 0 220.320 1.994 50 0 BDAARO Cc1cc(NN)[nH+]c(-c2ccc(F)cc2)n1 ZINC000045918615 178177722 /nfs/dbraw/zinc/17/77/22/178177722.db2.gz IVIAEKCZWBACFZ-UHFFFAOYSA-N 1 0 218.235 1.877 50 0 BDAARO Cc1cncc(NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000097104572 398231602 /nfs/dbraw/zinc/23/16/02/398231602.db2.gz CQRLBTFLCYHYNC-LLVKDONJSA-N 1 0 234.347 1.929 50 0 BDAARO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCO2)ccn1 ZINC000097108709 398238019 /nfs/dbraw/zinc/23/80/19/398238019.db2.gz RZJIXBLIOHEUQF-CMPLNLGQSA-N 1 0 236.315 1.747 50 0 BDAARO Cc1nc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)c[nH]1 ZINC000067868215 178282241 /nfs/dbraw/zinc/28/22/41/178282241.db2.gz HSHCSBLHNAVKLQ-NSHDSACASA-N 1 0 243.310 1.956 50 0 BDAARO Cc1ccc(-c2ccc(NN)[nH+]n2)cc1 ZINC000002555519 178325289 /nfs/dbraw/zinc/32/52/89/178325289.db2.gz MORPXDYMWBGQNW-UHFFFAOYSA-N 1 0 200.245 1.738 50 0 BDAARO Cc1cc2nnn([C@@H](C)C[NH3+])c2cc1C ZINC000057834469 178307574 /nfs/dbraw/zinc/30/75/74/178307574.db2.gz PSRUCRXDUUPBHT-VIFPVBQESA-N 1 0 204.277 1.568 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc1C ZINC000037539617 178379936 /nfs/dbraw/zinc/37/99/36/178379936.db2.gz VSYVKVNFCRYZSP-CYBMUJFWSA-N 1 0 232.327 1.737 50 0 BDAARO Cc1ccc(C(=O)N2CCC([NH3+])CC2)c(C)n1 ZINC000055329921 178384368 /nfs/dbraw/zinc/38/43/68/178384368.db2.gz IWBSAWIAVYNKJM-UHFFFAOYSA-N 1 0 233.315 1.262 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)c(C)c1 ZINC000054370394 178391869 /nfs/dbraw/zinc/39/18/69/178391869.db2.gz VHNBPSRDGBXFNC-GFCCVEGCSA-N 1 0 232.327 1.737 50 0 BDAARO CC(C)c1ccc(NC(=S)NC(N)=[NH2+])cc1 ZINC000000138303 342676740 /nfs/dbraw/zinc/67/67/40/342676740.db2.gz PYFLVHHBKVXORO-UHFFFAOYSA-N 1 0 236.344 1.990 50 0 BDAARO C[n+]1cnc(C(C)(C)C)c(Br)c1 ZINC000000331196 342683594 /nfs/dbraw/zinc/68/35/94/342683594.db2.gz CLAMNBNKARZVRW-UHFFFAOYSA-N 1 0 230.129 1.966 50 0 BDAARO CSc1ccc(C[NH2+]C[C@H](C)O)cc1 ZINC000000360576 342684958 /nfs/dbraw/zinc/68/49/58/342684958.db2.gz BAEDSFSLXSDZME-VIFPVBQESA-N 1 0 211.330 1.879 50 0 BDAARO CCOc1ccccc1OC[C@@H]1C[NH2+]CCO1 ZINC000000000833 342669526 /nfs/dbraw/zinc/66/95/26/342669526.db2.gz YWPHCCPCQOJSGZ-NSHDSACASA-N 1 0 237.299 1.453 50 0 world BDAARO COc1cc(CC[NH3+])cc(OC)c1OC ZINC000000001689 342669578 /nfs/dbraw/zinc/66/95/78/342669578.db2.gz RHCSKNNOAZULRK-UHFFFAOYSA-N 1 0 211.261 1.214 50 0 biogenic,in-vivo BDAARO CCn1ccnc1C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000071882021 342670654 /nfs/dbraw/zinc/67/06/54/342670654.db2.gz UHVYLMDTSSZQQK-RYUDHWBXSA-N 1 0 247.346 1.839 50 0 BDAARO CCOc1ccccc1C[NH2+]C[C@@H](C)O ZINC000000576445 342690448 /nfs/dbraw/zinc/69/04/48/342690448.db2.gz DKTNCPNDCUMXIN-SNVBAGLBSA-N 1 0 209.289 1.556 50 0 BDAARO COC(=O)[C@@H]1CCN(Cc2ccccc2)CC1=O ZINC000001680221 342708575 /nfs/dbraw/zinc/70/85/75/342708575.db2.gz ZBQNYNWPYXTUTB-GFCCVEGCSA-N 1 0 247.294 1.251 50 0 BDAARO COCC1(C[NH2+][C@@H](C)Cn2ccnc2C)CC1 ZINC000584901230 342713609 /nfs/dbraw/zinc/71/36/09/342713609.db2.gz BZLLTQGWLFUVNJ-NSHDSACASA-N 1 0 237.347 1.596 50 0 BDAARO c1csc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000004002723 342740526 /nfs/dbraw/zinc/74/05/26/342740526.db2.gz FYUSKUJSMSAABJ-JTQLQIEISA-N 1 0 205.286 1.706 50 0 BDAARO CC(C)(C)OC(=O)NCCC1CC[NH2+]CC1 ZINC000004202261 342743708 /nfs/dbraw/zinc/74/37/08/342743708.db2.gz RQRMFFGCUUGYPC-UHFFFAOYSA-N 1 0 228.336 1.901 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000004203933 342743890 /nfs/dbraw/zinc/74/38/90/342743890.db2.gz WIEJVMZWPIUWHO-MRVPVSSYSA-N 1 0 200.282 1.121 50 0 BDAARO CSCC[C@H]([NH3+])c1nnc2ccccn21 ZINC000004218865 342744629 /nfs/dbraw/zinc/74/46/29/342744629.db2.gz UWRILAHKMPTJPB-QMMMGPOBSA-N 1 0 222.317 1.482 50 0 BDAARO [NH3+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000004343461 342746882 /nfs/dbraw/zinc/74/68/82/342746882.db2.gz HFHIPHFTQUFQFH-JTQLQIEISA-N 1 0 214.272 1.603 50 0 BDAARO CC[NH+](CC)CCc1nnc(N)s1 ZINC000004512019 342748588 /nfs/dbraw/zinc/74/85/88/342748588.db2.gz JHUJNSGTROUQNM-UHFFFAOYSA-N 1 0 200.311 1.005 50 0 BDAARO C[C@@H](O)C[NH2+]CCCOc1ccccc1F ZINC000002881464 342727475 /nfs/dbraw/zinc/72/74/75/342727475.db2.gz UYJPZHWSGCRPKJ-SNVBAGLBSA-N 1 0 227.279 1.565 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(SC)cc1 ZINC000004599221 342749598 /nfs/dbraw/zinc/74/95/98/342749598.db2.gz UDZBDPGRFQAORG-SNVBAGLBSA-N 1 0 225.313 1.971 50 0 BDAARO CCOc1ccc(OCCC[NH2+]CCO)cc1 ZINC000003000813 342729087 /nfs/dbraw/zinc/72/90/87/342729087.db2.gz CHRWWVYSSOSVOG-UHFFFAOYSA-N 1 0 239.315 1.436 50 0 BDAARO O=C1C=CC[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000003881784 342738847 /nfs/dbraw/zinc/73/88/47/342738847.db2.gz AAGFPTSOPGCENQ-JLNYLFASSA-N 1 0 246.354 1.648 50 0 biogenic,in-vitro BDAARO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000004725574 342751243 /nfs/dbraw/zinc/75/12/43/342751243.db2.gz PJQBQLWAAJNUTO-NSHDSACASA-N 1 0 232.327 1.863 50 0 BDAARO CC[C@H]1C[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000006780198 342782772 /nfs/dbraw/zinc/78/27/72/342782772.db2.gz VNZZRCPXJDZCIR-VHSXEESVSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCCCC1 ZINC000040460106 538971228 /nfs/dbraw/zinc/97/12/28/538971228.db2.gz BYHGPQHFCNKHAS-NSHDSACASA-N 1 0 224.348 1.920 50 0 BDAARO CCOc1cc(C[NH2+]CCO)ccc1OC ZINC000008254349 342797272 /nfs/dbraw/zinc/79/72/72/342797272.db2.gz GKMGSVIDVTZDSN-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO O=C(c1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000011630767 342841942 /nfs/dbraw/zinc/84/19/42/342841942.db2.gz DYUQTSPDXNGKOK-UHFFFAOYSA-N 1 0 247.294 1.640 50 0 BDAARO NC(=[NH2+])c1ccc(-n2cccn2)cc1Cl ZINC000061856803 398299330 /nfs/dbraw/zinc/29/93/30/398299330.db2.gz LRRRXWXGOYMJMP-UHFFFAOYSA-N 1 0 220.663 1.810 50 0 BDAARO C[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000012370279 342850498 /nfs/dbraw/zinc/85/04/98/342850498.db2.gz NQYIUMFIFGLIIN-UHFFFAOYSA-N 1 0 201.273 1.651 50 0 BDAARO C[NH+]1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000012381426 342850634 /nfs/dbraw/zinc/85/06/34/342850634.db2.gz PUUZOWGFZAGVEM-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO CC(C)(C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000012381482 342850657 /nfs/dbraw/zinc/85/06/57/342850657.db2.gz RBSFXHPVVMLFJI-NSHDSACASA-N 1 0 246.310 1.707 50 0 BDAARO C[C@@H](C[NH3+])Cn1cc(Br)cn1 ZINC000012397757 342851308 /nfs/dbraw/zinc/85/13/08/342851308.db2.gz WIZVAGSZZSJQEO-LURJTMIESA-N 1 0 218.098 1.240 50 0 BDAARO COc1ccc([C@@H]([NH3+])CO)cc1Cl ZINC000012404639 342851511 /nfs/dbraw/zinc/85/15/11/342851511.db2.gz CBAZHIJEXPNXOM-QMMMGPOBSA-N 1 0 201.653 1.341 50 0 BDAARO CN1C(=O)[C@H](Cc2ccccc2)NC1(C)C ZINC000012955131 342862000 /nfs/dbraw/zinc/86/20/00/342862000.db2.gz UACYWOJLWBDSHG-NSHDSACASA-N 1 0 218.300 1.395 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000015440595 342896282 /nfs/dbraw/zinc/89/62/82/342896282.db2.gz JLQUEGAVLHIIBF-SNVBAGLBSA-N 1 0 209.245 1.258 50 0 BDAARO Clc1cccc2nc(N3CC[NH2+]CC3)oc21 ZINC000014988076 342890340 /nfs/dbraw/zinc/89/03/40/342890340.db2.gz TWCCPNKMEBWDPV-UHFFFAOYSA-N 1 0 237.690 1.891 50 0 BDAARO CCCCCS(=O)(=O)CCCC[NH3+] ZINC000058251596 398323516 /nfs/dbraw/zinc/32/35/16/398323516.db2.gz LDOXEIIKJMFBNK-UHFFFAOYSA-N 1 0 207.339 1.330 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000392426574 398330883 /nfs/dbraw/zinc/33/08/83/398330883.db2.gz WNAZYNKTBYHFMX-CPOMMVLXSA-N 1 0 220.320 1.952 50 0 BDAARO CN(C)c1nccnc1[C@@H]1CCC[NH2+]C1 ZINC000019686759 342953923 /nfs/dbraw/zinc/95/39/23/342953923.db2.gz KMKNQPHBGIQUGD-SECBINFHSA-N 1 0 206.293 1.010 50 0 BDAARO Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000019772567 342957159 /nfs/dbraw/zinc/95/71/59/342957159.db2.gz GZJVTMVMILIYHD-GFCCVEGCSA-N 1 0 239.340 1.272 50 0 BDAARO Fc1cccc(CN2CC[NH2+]CC2)c1F ZINC000020028484 342966584 /nfs/dbraw/zinc/96/65/84/342966584.db2.gz GBODJTRKPPKFDZ-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO O=C(C[NH2+]CC1CC1)Nc1cccc(F)c1 ZINC000020037574 342966993 /nfs/dbraw/zinc/96/69/93/342966993.db2.gz IMTRTBRQQSOHBV-UHFFFAOYSA-N 1 0 222.263 1.764 50 0 BDAARO C[C@H]1C[C@@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948546 342989927 /nfs/dbraw/zinc/98/99/27/342989927.db2.gz RZZMOAWLZHJQET-ZZIFITQXSA-N 1 0 236.359 1.774 50 0 BDAARO O=C(c1ccc2ccccc2c1)N1CC[NH2+]CC1 ZINC000020281169 342980420 /nfs/dbraw/zinc/98/04/20/342980420.db2.gz AVNWRHYYFFLLRK-UHFFFAOYSA-N 1 0 240.306 1.885 50 0 BDAARO O=C(c1cc(F)ccc1F)N1CC[NH2+]CC1 ZINC000021952736 343029616 /nfs/dbraw/zinc/02/96/16/343029616.db2.gz MNUKRHGVCYWYPM-UHFFFAOYSA-N 1 0 226.226 1.010 50 0 BDAARO CC(=O)N1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000023281604 343063173 /nfs/dbraw/zinc/06/31/73/343063173.db2.gz WSEPXPOQRZDWKN-CYBMUJFWSA-N 1 0 246.354 1.954 50 0 BDAARO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000043506181 343102784 /nfs/dbraw/zinc/10/27/84/343102784.db2.gz OCZOFCPATYYMBA-AAEUAGOBSA-N 1 0 238.375 1.974 50 0 BDAARO C[C@H](C[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000013771974 343104112 /nfs/dbraw/zinc/10/41/12/343104112.db2.gz COBNTSYACIFRCW-TZMCWYRMSA-N 1 0 246.354 1.987 50 0 BDAARO Cc1cc(N[C@@H](C)[C@@H](C)n2cccn2)nc(N)[nH+]1 ZINC000072269685 343116830 /nfs/dbraw/zinc/11/68/30/343116830.db2.gz OPBZFKHXXORSRH-VHSXEESVSA-N 1 0 246.318 1.625 50 0 BDAARO COc1ccc([C@H](C[NH3+])N(C)C)cc1OC ZINC000032497098 343236464 /nfs/dbraw/zinc/23/64/64/343236464.db2.gz UEMUYGSFWRCGFY-JTQLQIEISA-N 1 0 224.304 1.265 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000032627140 343239050 /nfs/dbraw/zinc/23/90/50/343239050.db2.gz MAKONFGDMPDBED-OUAUKWLOSA-N 1 0 240.347 1.899 50 0 BDAARO CCN1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000000280473 343269434 /nfs/dbraw/zinc/26/94/34/343269434.db2.gz KIDHIAQSMIHXPR-LBPRGKRZSA-N 1 0 226.364 1.175 50 0 BDAARO CCc1ccc(OCCCC[NH2+]CCO)cc1 ZINC000016667337 343271029 /nfs/dbraw/zinc/27/10/29/343271029.db2.gz JKULZWCJTWIABU-UHFFFAOYSA-N 1 0 237.343 1.990 50 0 BDAARO CCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019634011 343271497 /nfs/dbraw/zinc/27/14/97/343271497.db2.gz UUBRHDXZUFIDGG-ZDUSSCGKSA-N 1 0 208.349 1.980 50 0 BDAARO C[C@@H]1C[N@H+](C)CC[C@@]1(O)C(=O)c1ccccc1 ZINC000004480557 343273324 /nfs/dbraw/zinc/27/33/24/343273324.db2.gz FVSPEICUIGLILX-RISCZKNCSA-N 1 0 233.311 1.572 50 0 BDAARO CCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 ZINC000055502005 343274346 /nfs/dbraw/zinc/27/43/46/343274346.db2.gz IQFCOMPTRVPQIV-WDEREUQCSA-N 1 0 228.361 1.440 50 0 biogenic BDAARO COC(C)(C)C[C@H](C)[NH2+]CCn1ccnc1C ZINC000310430908 343279626 /nfs/dbraw/zinc/27/96/26/343279626.db2.gz RRDFIQWRGWFOOY-NSHDSACASA-N 1 0 239.363 1.985 50 0 BDAARO [NH3+][C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000036406173 343318264 /nfs/dbraw/zinc/31/82/64/343318264.db2.gz ADMDDEDHCSXWCJ-VIFPVBQESA-N 1 0 210.664 1.404 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000037022728 343331329 /nfs/dbraw/zinc/33/13/29/343331329.db2.gz NCJWFUVOHXYXCM-MNOVXSKESA-N 1 0 210.321 1.530 50 0 BDAARO O=C1CC2(CCCC2)C(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000035280500 343292420 /nfs/dbraw/zinc/29/24/20/343292420.db2.gz WRBHNCZNGVKSBU-SNVBAGLBSA-N 1 0 236.315 1.058 50 0 BDAARO O=C1CC2(CC[NH2+]CC2)Oc2ccc(O)cc21 ZINC000035287478 343292869 /nfs/dbraw/zinc/29/28/69/343292869.db2.gz OFTCDZWONRFBSP-UHFFFAOYSA-N 1 0 233.267 1.480 50 0 BDAARO c1ccc2c(c1)CC(N1CC[NH2+]CC1)C2 ZINC000038086763 343369659 /nfs/dbraw/zinc/36/96/59/343369659.db2.gz KZTQJRQEVNIIDS-UHFFFAOYSA-N 1 0 202.301 1.059 50 0 BDAARO O=C([C@H]1C[C@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000038478291 343375465 /nfs/dbraw/zinc/37/54/65/343375465.db2.gz YCLPEQPVIBGQNZ-ZJUUUORDSA-N 1 0 236.340 1.283 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766350 343353916 /nfs/dbraw/zinc/35/39/16/343353916.db2.gz MHGWFYMJMBEVAT-JTQLQIEISA-N 1 0 233.315 1.573 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000039093832 343381829 /nfs/dbraw/zinc/38/18/29/343381829.db2.gz PIFXVPWOUHXSLO-BDAKNGLRSA-N 1 0 214.309 1.639 50 0 BDAARO CCC[C@](C)(CCC[NH3+])C1OCCO1 ZINC000039185809 343386685 /nfs/dbraw/zinc/38/66/85/343386685.db2.gz HIAAGLJAQBKBGQ-LLVKDONJSA-N 1 0 201.310 1.905 50 0 BDAARO CN(C)[C@@H](C[NH3+])c1cn(C)c2ccccc12 ZINC000041230474 343417356 /nfs/dbraw/zinc/41/73/56/343417356.db2.gz ZJZKBTKAHBXKSR-ZDUSSCGKSA-N 1 0 217.316 1.740 50 0 BDAARO Cc1ccc(NC(=O)N2CC[NH2+]CC2)cc1C ZINC000041261131 343418011 /nfs/dbraw/zinc/41/80/11/343418011.db2.gz OCGLIUMBNHAMTA-UHFFFAOYSA-N 1 0 233.315 1.741 50 0 BDAARO O=C(OC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000042768431 343451052 /nfs/dbraw/zinc/45/10/52/343451052.db2.gz XIZORANKTGWNJD-SECBINFHSA-N 1 0 209.245 1.436 50 0 BDAARO O=C(OCC[C@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000042768830 343451258 /nfs/dbraw/zinc/45/12/58/343451258.db2.gz ZLEUALVNBGSONP-GFCCVEGCSA-N 1 0 241.331 1.488 50 0 BDAARO O=C(OC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000042769478 343451308 /nfs/dbraw/zinc/45/13/08/343451308.db2.gz YDNBRKOJHSABET-SNVBAGLBSA-N 1 0 220.272 1.238 50 0 BDAARO COc1cc(CO[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000042783005 343453221 /nfs/dbraw/zinc/45/32/21/343453221.db2.gz SFHZQLBMPWMVQB-LLVKDONJSA-N 1 0 237.299 1.582 50 0 BDAARO CCN(C)C(=O)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000049582234 343604009 /nfs/dbraw/zinc/60/40/09/343604009.db2.gz ZAVRZWQGRZAOAF-CYBMUJFWSA-N 1 0 232.327 1.855 50 0 BDAARO O=C(CCc1cccc(F)c1)N1CC[NH2+]CC1 ZINC000049597389 343604399 /nfs/dbraw/zinc/60/43/99/343604399.db2.gz FIIMKEJKXDDVAQ-UHFFFAOYSA-N 1 0 236.290 1.190 50 0 BDAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(N)=O ZINC000000517532 346959021 /nfs/dbraw/zinc/95/90/21/346959021.db2.gz RODFWRRWTVZHGA-DGCLKSJQSA-N 1 0 245.326 1.681 50 0 biogenic BDAARO O=C1CCCN1CCC[NH2+]Cc1cccs1 ZINC000013727395 346964474 /nfs/dbraw/zinc/96/44/74/346964474.db2.gz MJSMTSRQPVMWBQ-UHFFFAOYSA-N 1 0 238.356 1.850 50 0 BDAARO c1cn2c(n1)CC[C@H](C[NH2+][C@H]1CCSC1)C2 ZINC000309593512 343935159 /nfs/dbraw/zinc/93/51/59/343935159.db2.gz HQODKOXYKBHZHH-MNOVXSKESA-N 1 0 237.372 1.541 50 0 BDAARO C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cccnc2)C1(C)C ZINC000585140250 344172608 /nfs/dbraw/zinc/17/26/08/344172608.db2.gz AUVKODFOUVHIKV-NWDGAFQWSA-N 1 0 247.342 1.540 50 0 BDAARO C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cccnc2)C1(C)C ZINC000585140252 344172872 /nfs/dbraw/zinc/17/28/72/344172872.db2.gz AUVKODFOUVHIKV-VXGBXAGGSA-N 1 0 247.342 1.540 50 0 BDAARO Cc1cc(-n2cccn2)ccc1NC(N)=[NH2+] ZINC000585138640 344149704 /nfs/dbraw/zinc/14/97/04/344149704.db2.gz VQOIFVPMHAHULV-UHFFFAOYSA-N 1 0 215.260 1.486 50 0 BDAARO CC(C)Oc1cc(-n2cccn2)ccc1C(N)=[NH2+] ZINC000585139220 344151382 /nfs/dbraw/zinc/15/13/82/344151382.db2.gz CFQUMDRCTTWNGT-UHFFFAOYSA-N 1 0 244.298 1.944 50 0 BDAARO C[C@@H]1C[C@@H](CN(C)Cc2nc[nH]n2)CCO1 ZINC000408145065 344159905 /nfs/dbraw/zinc/15/99/05/344159905.db2.gz PKSMCXUEDYQTHS-ZJUUUORDSA-N 1 0 224.308 1.052 50 0 BDAARO CC[N@@H+]1CCC[C@H](CNCc2c[nH]nc2C)C1 ZINC000097160166 344162637 /nfs/dbraw/zinc/16/26/37/344162637.db2.gz GNLAAPMTRFBZII-GFCCVEGCSA-N 1 0 236.363 1.540 50 0 BDAARO COC(=O)C[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000004811770 344274499 /nfs/dbraw/zinc/27/44/99/344274499.db2.gz WBPGFNAPPVSFEJ-NSHDSACASA-N 1 0 207.273 1.600 50 0 BDAARO COc1ccc(C[NH+]2CCC(O)CC2)cc1C ZINC000000239617 344655971 /nfs/dbraw/zinc/65/59/71/344655971.db2.gz SRPUJVPPRSDHFN-UHFFFAOYSA-N 1 0 235.327 1.960 50 0 BDAARO CN(C)C(=O)OCC[N@@H+]1CCC2(CCCC2)C1 ZINC000158746636 344737828 /nfs/dbraw/zinc/73/78/28/344737828.db2.gz DRBYJHLKJGGWJT-UHFFFAOYSA-N 1 0 240.347 1.951 50 0 BDAARO Cc1ccccc1N1CCC[C@@H]([NH3+])C1=O ZINC000070061977 537857291 /nfs/dbraw/zinc/85/72/91/537857291.db2.gz UDWIUYVUFJKMQK-SNVBAGLBSA-N 1 0 204.273 1.449 50 0 BDAARO c1cnn(C[C@@H]2CCC[N@@H+]2C[C@H]2CCCCO2)c1 ZINC000248130800 345345715 /nfs/dbraw/zinc/34/57/15/345345715.db2.gz YMUZQQRZFXONHJ-UONOGXRCSA-N 1 0 249.358 1.917 50 0 BDAARO [NH3+][C@H]1C[C@@H]1c1ccc(Br)nc1 ZINC000146249684 345756687 /nfs/dbraw/zinc/75/66/87/345756687.db2.gz NWLHGQAKWNDXPX-RQJHMYQMSA-N 1 0 213.078 1.659 50 0 BDAARO Cc1ccc2c(c1)ncn([C@@H]1CCC[NH2+]C1)c2=O ZINC000032500767 178937864 /nfs/dbraw/zinc/93/78/64/178937864.db2.gz TUIBVGCFNPRJTH-LLVKDONJSA-N 1 0 243.310 1.629 50 0 BDAARO C[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000685939517 537929276 /nfs/dbraw/zinc/92/92/76/537929276.db2.gz NFLYKUNPBFDIJV-IKOXMDCHSA-N 1 0 248.370 1.585 50 0 BDAARO Cc1cc(C)cc(NC(=O)C[NH2+]CCCO)c1 ZINC000003339005 346236809 /nfs/dbraw/zinc/23/68/09/346236809.db2.gz OISZORFZRKQCAA-UHFFFAOYSA-N 1 0 236.315 1.214 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1C ZINC000050228282 179010874 /nfs/dbraw/zinc/01/08/74/179010874.db2.gz QDYVWQNKXUEGQJ-NSHDSACASA-N 1 0 218.300 1.477 50 0 BDAARO Cc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1F ZINC000125870321 179011276 /nfs/dbraw/zinc/01/12/76/179011276.db2.gz VVDAJEGLCVZFHJ-SECBINFHSA-N 1 0 222.263 1.307 50 0 BDAARO Cc1cccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000070076542 179013893 /nfs/dbraw/zinc/01/38/93/179013893.db2.gz RZYZSMRZDMUGTN-PHIMTYICSA-N 1 0 233.315 1.212 50 0 BDAARO Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000019270414 179016446 /nfs/dbraw/zinc/01/64/46/179016446.db2.gz UGEBFSCMMRTCHZ-UHFFFAOYSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1cccc(C)c1-n1nnnc1C(C)(C)[NH3+] ZINC000035511676 179028509 /nfs/dbraw/zinc/02/85/09/179028509.db2.gz DLQRPSFGSYAMGH-UHFFFAOYSA-N 1 0 231.303 1.473 50 0 BDAARO Cc1cccc(C)c1N[NH+]=C(N)N(C)C ZINC000006071689 179044152 /nfs/dbraw/zinc/04/41/52/179044152.db2.gz IRRZFNMHMZYHIW-UHFFFAOYSA-N 1 0 206.293 1.716 50 0 BDAARO Cc1cccc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000019814004 179140521 /nfs/dbraw/zinc/14/05/21/179140521.db2.gz UQZKVMVFUAGCDX-JTQLQIEISA-N 1 0 219.288 1.328 50 0 BDAARO [NH3+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000036949534 346801022 /nfs/dbraw/zinc/80/10/22/346801022.db2.gz OPEIEIUCYFMKJD-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 BDAARO C[C@H](O)[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000110695201 347341839 /nfs/dbraw/zinc/34/18/39/347341839.db2.gz JEVHLBXGBCKQKP-TUAOUCFPSA-N 1 0 213.321 1.116 50 0 BDAARO COCC1(C[NH2+][C@H]2CCNC(=O)CC2)CCC1 ZINC000396744973 362832916 /nfs/dbraw/zinc/83/29/16/362832916.db2.gz XHYXLGLJAFDVAA-LLVKDONJSA-N 1 0 240.347 1.061 50 0 BDAARO Cc1ccccc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000041028240 179246815 /nfs/dbraw/zinc/24/68/15/179246815.db2.gz IDSVVYHDAKKHTM-LLVKDONJSA-N 1 0 218.300 1.558 50 0 BDAARO Cc1ccccc1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000094345293 179251546 /nfs/dbraw/zinc/25/15/46/179251546.db2.gz PWYNMVCKSQNNIZ-DGCLKSJQSA-N 1 0 232.327 1.723 50 0 BDAARO c1c(C2CC2)[nH]nc1N1CC[NH+](C2CCC2)CC1 ZINC000194780664 347581033 /nfs/dbraw/zinc/58/10/33/347581033.db2.gz JHYUNFKUVCPOHM-UHFFFAOYSA-N 1 0 246.358 1.962 50 0 BDAARO Cc1ccccc1CC(=O)NC1CC[NH+](C)CC1 ZINC000006698264 179257349 /nfs/dbraw/zinc/25/73/49/179257349.db2.gz JSVDKDKIATWWLM-UHFFFAOYSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1ccccc1C[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849990 179288367 /nfs/dbraw/zinc/28/83/67/179288367.db2.gz MCMYYQAAAIHSOE-HIFRSBDPSA-N 1 0 249.354 1.667 50 0 BDAARO Cc1ccccc1OCCC[NH2+]C[C@H](C)O ZINC000002879824 179309473 /nfs/dbraw/zinc/30/94/73/179309473.db2.gz QGZFVSLFXSIRCS-LBPRGKRZSA-N 1 0 223.316 1.734 50 0 BDAARO C[C@H](Nc1cnccn1)[C@@H]1CCC[NH2+]C1 ZINC000050163981 488365209 /nfs/dbraw/zinc/36/52/09/488365209.db2.gz JWPLLEZZORFMOM-VHSXEESVSA-N 1 0 206.293 1.277 50 0 BDAARO Cc1ccccc1[C@H]1CN(C(=O)C[NH3+])[C@H](C)CO1 ZINC000237532618 179349599 /nfs/dbraw/zinc/34/95/99/179349599.db2.gz KYJYGOHTVPELHN-DGCLKSJQSA-N 1 0 248.326 1.242 50 0 BDAARO Cc1ccccc1[C@H]1CCN(CC[NH3+])C1 ZINC000023093520 179346615 /nfs/dbraw/zinc/34/66/15/179346615.db2.gz NJVXTICIQNKNSS-LBPRGKRZSA-N 1 0 204.317 1.743 50 0 BDAARO Cc1ccc[nH+]c1NNC=C1C=CC=N1 ZINC000038812227 179395092 /nfs/dbraw/zinc/39/50/92/179395092.db2.gz PXKAZBFPWMMURA-NTMALXAHSA-N 1 0 200.245 1.789 50 0 BDAARO Nc1c[nH+]c(N2CCCCCC2)cc1N ZINC000669383005 538006727 /nfs/dbraw/zinc/00/67/27/538006727.db2.gz QNNHKSNZCPLCHK-UHFFFAOYSA-N 1 0 206.293 1.626 50 0 BDAARO Cc1cncc(NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000097104573 179680215 /nfs/dbraw/zinc/68/02/15/179680215.db2.gz CQRLBTFLCYHYNC-NSHDSACASA-N 1 0 234.347 1.929 50 0 BDAARO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ncnn1C ZINC000247250750 349115807 /nfs/dbraw/zinc/11/58/07/349115807.db2.gz YHPAGHIITROUNT-IAZYJMLFSA-N 1 0 222.336 1.729 50 0 BDAARO Cc1cscc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333204305 179807312 /nfs/dbraw/zinc/80/73/12/179807312.db2.gz YPSVHJPNYWPNMC-VIFPVBQESA-N 1 0 239.344 1.930 50 0 BDAARO CC(C)(CO)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000061997368 191001048 /nfs/dbraw/zinc/00/10/48/191001048.db2.gz YFZYUTRLOMRWGU-NSHDSACASA-N 1 0 243.734 1.734 50 0 BDAARO Cc1nc([C@H]2CCCC[NH2+]2)cc(N(C)C)n1 ZINC000019686830 180055638 /nfs/dbraw/zinc/05/56/38/180055638.db2.gz DEDRFYJMHMRKOS-SNVBAGLBSA-N 1 0 220.320 1.666 50 0 BDAARO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccccn1 ZINC000098013106 191061709 /nfs/dbraw/zinc/06/17/09/191061709.db2.gz IYEUCLZXFMVMTO-GFCCVEGCSA-N 1 0 219.332 1.860 50 0 BDAARO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cnn(C)c1 ZINC000105447502 191067068 /nfs/dbraw/zinc/06/70/68/191067068.db2.gz QNXVRGRHRGLTNH-LLVKDONJSA-N 1 0 245.326 1.847 50 0 BDAARO c1c(CN2CCCCC2)nn2c1C[NH2+]CCC2 ZINC000601013352 350329958 /nfs/dbraw/zinc/32/99/58/350329958.db2.gz PCNHHANLKNLINB-UHFFFAOYSA-N 1 0 234.347 1.362 50 0 BDAARO Cc1nn(C)cc1[C@H](C)Nc1cc(C[NH3+])ncn1 ZINC000067965047 180383461 /nfs/dbraw/zinc/38/34/61/180383461.db2.gz UWLWGTNPWUABCO-QMMMGPOBSA-N 1 0 246.318 1.150 50 0 BDAARO CC1(C)CC[NH+](CCS(C)(=O)=O)CC1 ZINC000240412628 350777100 /nfs/dbraw/zinc/77/71/00/350777100.db2.gz FNLXQTYTVOMIKF-UHFFFAOYSA-N 1 0 219.350 1.153 50 0 BDAARO CC[N@@H+]1CCC[C@H]1Cn1c2ccccc2[nH]c1=O ZINC000258246899 351064933 /nfs/dbraw/zinc/06/49/33/351064933.db2.gz XOEWPPGEHWSBMW-NSHDSACASA-N 1 0 245.326 1.814 50 0 BDAARO Cc1ccc(C[NH2+]CCN2CCOCC2)cc1C ZINC000034991135 351376960 /nfs/dbraw/zinc/37/69/60/351376960.db2.gz RJACLYREYDYTDZ-UHFFFAOYSA-N 1 0 248.370 1.725 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000082370873 187603494 /nfs/dbraw/zinc/60/34/94/187603494.db2.gz DLQDCEVLPYUFGY-MRVPVSSYSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H](CC(=O)NC1=NCCS1)n1ccnc1 ZINC000012546415 352082356 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CC(=O)c1c(C)n(O)c2ccc(C)cc2[n+]1=O ZINC000103962443 188335729 /nfs/dbraw/zinc/33/57/29/188335729.db2.gz DHOWLMVUKKOKBT-UHFFFAOYSA-N 1 0 233.247 1.613 50 0 BDAARO CC(C)[NH+]1CCN(C(=O)NC2CCCC2)CC1 ZINC000013328282 188342692 /nfs/dbraw/zinc/34/26/92/188342692.db2.gz DSLBTVRYUZXPHN-UHFFFAOYSA-N 1 0 239.363 1.665 50 0 BDAARO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000188036310 188349030 /nfs/dbraw/zinc/34/90/30/188349030.db2.gz VFLKSEIXNVVQNI-CYBMUJFWSA-N 1 0 237.347 1.783 50 0 BDAARO CC(C)(C)[C@H]([NH2+]CCc1ccccc1)C(N)=O ZINC000096444990 188364825 /nfs/dbraw/zinc/36/48/25/188364825.db2.gz KGVWNXHINBFZRF-GFCCVEGCSA-N 1 0 234.343 1.719 50 0 BDAARO O=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCC[N@@H+]1C3 ZINC000001408501 353417194 /nfs/dbraw/zinc/41/71/94/353417194.db2.gz JYIJIIVLEOETIQ-FQUUOJAGSA-N 1 0 248.370 1.872 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1scnc1C ZINC000046737065 353824327 /nfs/dbraw/zinc/82/43/27/353824327.db2.gz KUNKTPPFZQUFBZ-UHFFFAOYSA-N 1 0 241.360 1.523 50 0 BDAARO 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358512057 /nfs/dbraw/zinc/51/20/57/358512057.db2.gz HQQMIJMMLHPWCZ-UHFFFAOYSA-N 1 0 228.336 1.012 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1ccc(N)cc1C ZINC000008703600 357337154 /nfs/dbraw/zinc/33/71/54/357337154.db2.gz IHFYWSGSCRNJNI-UHFFFAOYSA-N 1 0 235.331 1.858 50 0 BDAARO COC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2 ZINC000685943972 538887026 /nfs/dbraw/zinc/88/70/26/538887026.db2.gz RERMJJARGFBWCN-CCNFQMFXSA-N 1 0 215.318 1.163 50 0 BDAARO Nc1cc(F)ccc1-c1cc(C[NH3+])[nH]n1 ZINC000685949368 538892297 /nfs/dbraw/zinc/89/22/97/538892297.db2.gz OZHDCVXUNLNJIK-UHFFFAOYSA-N 1 0 206.224 1.257 50 0 BDAARO C[C@H]1C[N@H+](C)CCN1Cc1nc2ccccc2o1 ZINC000089939312 360049331 /nfs/dbraw/zinc/04/93/31/360049331.db2.gz AUFHJNFYMBSRGG-NSHDSACASA-N 1 0 245.326 1.964 50 0 BDAARO CC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000238061978 360543467 /nfs/dbraw/zinc/54/34/67/360543467.db2.gz VCHMFUOHDGZSMX-WCQYABFASA-N 1 0 216.284 1.499 50 0 BDAARO Cc1ccc(CC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000006726992 360682668 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/nfs/dbraw/zinc/36/13/56/181361356.db2.gz UPGYLWOGKQCUJS-UHFFFAOYSA-N 1 0 242.116 1.676 50 0 BDAARO [NH3+]CCC(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000225465759 181368675 /nfs/dbraw/zinc/36/86/75/181368675.db2.gz CRNRXLHFAUTWSU-SECBINFHSA-N 1 0 238.253 1.573 50 0 BDAARO [NH3+]CCCCCS(=O)(=O)c1ccccc1 ZINC000082789722 181375015 /nfs/dbraw/zinc/37/50/15/181375015.db2.gz OFXOECVAVANOEP-UHFFFAOYSA-N 1 0 227.329 1.589 50 0 BDAARO [NH3+]CCOCc1ccc(-c2cc[nH]n2)cc1 ZINC000067920060 181399208 /nfs/dbraw/zinc/39/92/08/181399208.db2.gz ACBGPLTUZVLUPN-UHFFFAOYSA-N 1 0 217.272 1.552 50 0 BDAARO C[NH2+]CC(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000440566093 201492479 /nfs/dbraw/zinc/49/24/79/201492479.db2.gz CVOAYUCDMHLRKF-UHFFFAOYSA-N 1 0 241.360 1.890 50 0 BDAARO [NH3+]C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000004240474 181430132 /nfs/dbraw/zinc/43/01/32/181430132.db2.gz PAIJQGYSIGOWOF-ZDUSSCGKSA-N 1 0 248.326 1.994 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)Cc2cccc(F)c2)C1 ZINC000050246125 181433395 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/nfs/dbraw/zinc/93/96/50/371939650.db2.gz UDQVIFGFZOORCE-RIJLIZGSSA-N 1 0 222.679 1.735 50 0 BDAARO C[NH+]1CCC(NC(=O)NC2CCCC2)CC1 ZINC000031022921 372003797 /nfs/dbraw/zinc/00/37/97/372003797.db2.gz SPXJETPCWUGXQT-UHFFFAOYSA-N 1 0 225.336 1.322 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000606441796 372103491 /nfs/dbraw/zinc/10/34/91/372103491.db2.gz VOZCHRUSXBPHJY-WAYWQWQTSA-N 1 0 244.338 1.748 50 0 BDAARO COC(=O)N1CCC([NH2+]CC(C)(C)C)CC1 ZINC000066989547 372651149 /nfs/dbraw/zinc/65/11/49/372651149.db2.gz IFTNRTGFWJEVNN-UHFFFAOYSA-N 1 0 228.336 1.853 50 0 BDAARO CCCCS(=O)(=O)NCC1CC[NH+](C)CC1 ZINC000038572954 372705954 /nfs/dbraw/zinc/70/59/54/372705954.db2.gz HOTXCIBMBMFOBD-UHFFFAOYSA-N 1 0 248.392 1.048 50 0 BDAARO O=C(C[C@H]1COCC[NH2+]1)c1cccs1 ZINC000072314766 182030500 /nfs/dbraw/zinc/03/05/00/182030500.db2.gz WCTHKLKZKKEHEP-QMMMGPOBSA-N 1 0 211.286 1.309 50 0 BDAARO O=C(C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000071373321 182030683 /nfs/dbraw/zinc/03/06/83/182030683.db2.gz 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1.478 50 0 BDAARO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC000069706027 373626058 /nfs/dbraw/zinc/62/60/58/373626058.db2.gz FHERIUISABXXRP-LBPRGKRZSA-N 1 0 243.314 1.086 50 0 BDAARO O=C(NCCC[NH+]1CCCC1)c1ccccc1O ZINC000044895504 182167709 /nfs/dbraw/zinc/16/77/09/182167709.db2.gz LWWJDCZYXCHUIF-UHFFFAOYSA-N 1 0 248.326 1.608 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1ccncc1 ZINC000003024957 182184094 /nfs/dbraw/zinc/18/40/94/182184094.db2.gz ACFXHPDMPYSHFO-UHFFFAOYSA-N 1 0 233.315 1.297 50 0 BDAARO O=C(NCC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019505859 182199348 /nfs/dbraw/zinc/19/93/48/182199348.db2.gz MANQMTCNSJFKMR-ZDUSSCGKSA-N 1 0 232.327 1.949 50 0 BDAARO O=C(NC[C@H]1Cc2ccccc21)[C@@H]1CCCC[NH2+]1 ZINC000037566081 182248154 /nfs/dbraw/zinc/24/81/54/182248154.db2.gz SWNAVRLADYNPTB-OCCSQVGLSA-N 1 0 244.338 1.585 50 0 BDAARO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC000041926579 374226245 /nfs/dbraw/zinc/22/62/45/374226245.db2.gz VMFXVGOYNWMJKV-WDEREUQCSA-N 1 0 212.337 1.489 50 0 BDAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH2+]CC2 ZINC000070251777 182262926 /nfs/dbraw/zinc/26/29/26/182262926.db2.gz RNVQFUPLVJWBGE-LLVKDONJSA-N 1 0 234.299 1.286 50 0 BDAARO O=C(Nc1cccc(F)c1)[C@H]1CCC[NH2+]1 ZINC000019413178 182369123 /nfs/dbraw/zinc/36/91/23/182369123.db2.gz XDFDVNKFADRWQG-SNVBAGLBSA-N 1 0 208.236 1.516 50 0 BDAARO OC1CC[NH+](CCc2ccccc2F)CC1 ZINC000041242534 183029506 /nfs/dbraw/zinc/02/95/06/183029506.db2.gz TYQLPMXQRSLOAN-UHFFFAOYSA-N 1 0 223.291 1.825 50 0 BDAARO OCC1CC[NH+](Cc2cccs2)CC1 ZINC000012370795 183041321 /nfs/dbraw/zinc/04/13/21/183041321.db2.gz KAZWOHUGLHRSDG-UHFFFAOYSA-N 1 0 211.330 1.952 50 0 BDAARO OCCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000069879558 183056948 /nfs/dbraw/zinc/05/69/48/183056948.db2.gz LPUCXZBWZQSUKA-LBPRGKRZSA-N 1 0 223.291 1.997 50 0 BDAARO OCCC[NH2+]C1(c2nccs2)CCCC1 ZINC000083215440 183057179 /nfs/dbraw/zinc/05/71/79/183057179.db2.gz MCOCMHCJMLFCJB-UHFFFAOYSA-N 1 0 226.345 1.884 50 0 BDAARO OCCN1c2ccccc2N2CCC[NH+]=C12 ZINC000005785767 183072714 /nfs/dbraw/zinc/07/27/14/183072714.db2.gz MWJATWQMRFQBFZ-UHFFFAOYSA-N 1 0 217.272 1.065 50 0 BDAARO OCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000022468734 183074560 /nfs/dbraw/zinc/07/45/60/183074560.db2.gz TYTBAKXZCQCARG-UHFFFAOYSA-N 1 0 226.364 1.177 50 0 BDAARO OCC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000096424553 183094676 /nfs/dbraw/zinc/09/46/76/183094676.db2.gz JCTUMQILLNXMBO-NSHDSACASA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000000209109 183148735 /nfs/dbraw/zinc/14/87/35/183148735.db2.gz GFONFNSZYRSLMG-GFCCVEGCSA-N 1 0 249.310 1.762 50 0 BDAARO OC[C@H]1CCC[N@@H+]1C[C@H]1CCCC1(F)F ZINC000336144596 183151221 /nfs/dbraw/zinc/15/12/21/183151221.db2.gz GYGPZKMKPGLRHK-NXEZZACHSA-N 1 0 219.275 1.879 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000005331411 183151274 /nfs/dbraw/zinc/15/12/74/183151274.db2.gz FNXJMDSDUPCAOP-LBPRGKRZSA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000042684539 183155735 /nfs/dbraw/zinc/15/57/35/183155735.db2.gz ILNWBWLNHRKSFQ-CYBMUJFWSA-N 1 0 221.300 1.270 50 0 BDAARO CCCN(C(=O)CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000037469941 169040442 /nfs/dbraw/zinc/04/04/42/169040442.db2.gz HILRUCAAAZALEO-MRVPVSSYSA-N 1 0 238.253 1.539 50 0 BDAARO CCCN(C(=O)CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000037469942 169041183 /nfs/dbraw/zinc/04/11/83/169041183.db2.gz HILRUCAAAZALEO-QMMMGPOBSA-N 1 0 238.253 1.539 50 0 BDAARO O[C@@H](C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000012960020 183180441 /nfs/dbraw/zinc/18/04/41/183180441.db2.gz NKTRJOFXPSASPC-VIFPVBQESA-N 1 0 219.206 1.699 50 0 BDAARO O[C@@H](COc1ccccc1)C[NH+]1CCCCC1 ZINC000000037904 183181730 /nfs/dbraw/zinc/18/17/30/183181730.db2.gz QPMPQYGUAKDGAE-CYBMUJFWSA-N 1 0 235.327 1.912 50 0 in-vitro BDAARO O[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC000019940149 183198373 /nfs/dbraw/zinc/19/83/73/183198373.db2.gz UBPAKIJNGDJPMD-LLVKDONJSA-N 1 0 211.330 1.747 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000052172719 183231075 /nfs/dbraw/zinc/23/10/75/183231075.db2.gz ONMYUCNDOMJZAC-RYUDHWBXSA-N 1 0 213.321 1.306 50 0 BDAARO Oc1cccc([C@@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000019797542 183294560 /nfs/dbraw/zinc/29/45/60/183294560.db2.gz OPAWZAUQYPUFQR-AWEZNQCLSA-N 1 0 244.294 1.610 50 0 BDAARO S=c1[nH]cnc2c1ncn2C[NH+]1CCCCC1 ZINC000017355182 183314952 /nfs/dbraw/zinc/31/49/52/183314952.db2.gz JSSLMMRNHVEVHL-UHFFFAOYSA-N 1 0 249.343 1.932 50 0 BDAARO c1cn2c(n1)[C@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084615154 183349624 /nfs/dbraw/zinc/34/96/24/183349624.db2.gz OXYKYMSZFZTWLK-ZDUSSCGKSA-N 1 0 242.326 1.945 50 0 BDAARO c1cc2c(ccnc2N2CCC[NH2+]CC2)o1 ZINC000004287706 183378450 /nfs/dbraw/zinc/37/84/50/183378450.db2.gz JGVLLHBTSVQMHS-UHFFFAOYSA-N 1 0 217.272 1.628 50 0 BDAARO c1ccc(-c2nnc([C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000042013529 183382087 /nfs/dbraw/zinc/38/20/87/183382087.db2.gz QCEJBMDFLLICFF-JTQLQIEISA-N 1 0 214.272 1.896 50 0 BDAARO c1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)nc1 ZINC000063084499 183382351 /nfs/dbraw/zinc/38/23/51/183382351.db2.gz SBNNHMGQUDULPB-SNVBAGLBSA-N 1 0 244.298 1.674 50 0 BDAARO CCCOCC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000089960247 169303297 /nfs/dbraw/zinc/30/32/97/169303297.db2.gz JZABZBOYPBPQQZ-LBPRGKRZSA-N 1 0 242.363 1.212 50 0 BDAARO c1ccc2c(c1)nnn2C[NH+]1CCCCC1 ZINC000000040764 183456312 /nfs/dbraw/zinc/45/63/12/183456312.db2.gz MPBMIGLZRPKNKA-UHFFFAOYSA-N 1 0 216.288 1.875 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cccnc1 ZINC000036873331 169387031 /nfs/dbraw/zinc/38/70/31/169387031.db2.gz UGZKVRIZKCQDOV-LLVKDONJSA-N 1 0 221.304 1.167 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000192843710 169490543 /nfs/dbraw/zinc/49/05/43/169490543.db2.gz VJKRDPNZJKYCSF-LBPRGKRZSA-N 1 0 242.363 1.356 50 0 BDAARO CCC[C@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000006757526 169530309 /nfs/dbraw/zinc/53/03/09/169530309.db2.gz MRFBWCJMRGMVNO-BQBZGAKWSA-N 1 0 216.306 1.345 50 0 BDAARO CCOCC[NH2+]Cc1ccc(OC)cc1 ZINC000035098215 383827279 /nfs/dbraw/zinc/82/72/79/383827279.db2.gz YSACNBFCGVPBBC-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO CN(C)CC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000034991098 383822581 /nfs/dbraw/zinc/82/25/81/383822581.db2.gz AORMUYFAUKNBBY-UHFFFAOYSA-N 1 0 244.342 1.524 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000000182929 383842847 /nfs/dbraw/zinc/84/28/47/383842847.db2.gz DXCDSZMJJVOLIM-SNVBAGLBSA-N 1 0 209.289 1.820 50 0 BDAARO C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1=O ZINC000000393560 383860857 /nfs/dbraw/zinc/86/08/57/383860857.db2.gz WFFCWXMFKGCIGF-QWRGUYRKSA-N 1 0 212.337 1.095 50 0 in-vitro BDAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000035735853 383871764 /nfs/dbraw/zinc/87/17/64/383871764.db2.gz WANKLARNWVNQJV-WCQYABFASA-N 1 0 248.326 1.782 50 0 BDAARO [NH3+][C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000091546466 383918100 /nfs/dbraw/zinc/91/81/00/383918100.db2.gz BUANGQNRIZHFLG-ZWNOBZJWSA-N 1 0 230.311 1.656 50 0 BDAARO CC[C@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034994755 383888993 /nfs/dbraw/zinc/88/89/93/383888993.db2.gz AJXNCCRPVSQURY-ZIAGYGMSSA-N 1 0 219.328 1.904 50 0 BDAARO [NH3+]CCc1cn2cc(C(F)(F)F)ccc2n1 ZINC000036243581 383890526 /nfs/dbraw/zinc/89/05/26/383890526.db2.gz JKNDDHPIHLMVTH-UHFFFAOYSA-N 1 0 229.205 1.854 50 0 BDAARO CC(=O)NCc1cc(F)ccc1-n1ccnc1C ZINC000071886026 383896883 /nfs/dbraw/zinc/89/68/83/383896883.db2.gz RGYZPXYSWRZCSF-UHFFFAOYSA-N 1 0 247.273 1.956 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000002038543 383946745 /nfs/dbraw/zinc/94/67/45/383946745.db2.gz KAFHLYIMFOUYGL-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH3+])cc1 ZINC000068576925 384000476 /nfs/dbraw/zinc/00/04/76/384000476.db2.gz QOXXAOXFOLCNBY-SECBINFHSA-N 1 0 213.302 1.116 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)[C@H]1C ZINC000269222948 383953871 /nfs/dbraw/zinc/95/38/71/383953871.db2.gz BUXCMGQFLAVFFM-DYEKYZERSA-N 1 0 246.354 1.986 50 0 BDAARO O=C(c1ccc[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067868102 383953983 /nfs/dbraw/zinc/95/39/83/383953983.db2.gz WPVUOQUYGBAASW-ZDUSSCGKSA-N 1 0 233.315 1.230 50 0 BDAARO CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+]C ZINC000002508349 383968342 /nfs/dbraw/zinc/96/83/42/383968342.db2.gz USWVWJSAJAEEHQ-SNVBAGLBSA-N 1 0 207.273 1.956 50 0 in-vitro BDAARO O=C(CC[NH+]1CCCC1)NC1CCCC1 ZINC000060460002 384051196 /nfs/dbraw/zinc/05/11/96/384051196.db2.gz GLJFQLKFKOKPBJ-UHFFFAOYSA-N 1 0 210.321 1.531 50 0 BDAARO Cc1nnc2sc(-c3ccc(C[NH3+])cc3)nn12 ZINC000004487974 384063839 /nfs/dbraw/zinc/06/38/39/384063839.db2.gz WYXRKZMSYYCHSL-UHFFFAOYSA-N 1 0 245.311 1.620 50 0 BDAARO Cc1cc(C)c(N2CC[C@H]([NH3+])C2=O)c(C)c1 ZINC000070061984 384075754 /nfs/dbraw/zinc/07/57/54/384075754.db2.gz QWDBPCCXEXIGAV-NSHDSACASA-N 1 0 218.300 1.676 50 0 BDAARO C[C@@H]([NH3+])c1ccc(N2CCOC2=O)cc1 ZINC000038343285 384081591 /nfs/dbraw/zinc/08/15/91/384081591.db2.gz NOQQJKCCOAPYQL-MRVPVSSYSA-N 1 0 206.245 1.663 50 0 BDAARO [NH3+]Cc1ccnn1CCc1ccccc1 ZINC000070631071 384126443 /nfs/dbraw/zinc/12/64/43/384126443.db2.gz DWUJGNZVNJLBKP-UHFFFAOYSA-N 1 0 201.273 1.585 50 0 BDAARO CC(C)(C)OC(=O)N[C@H](C(N)=[NH2+])C1CC1 ZINC000070650199 384128033 /nfs/dbraw/zinc/12/80/33/384128033.db2.gz MKUXUJGTYKATFM-ZETCQYMHSA-N 1 0 213.281 1.226 50 0 BDAARO CC(C)[C@]1(O)C[N@H+](Cc2ncc[nH]2)C[C@H]1C ZINC000091548383 384132297 /nfs/dbraw/zinc/13/22/97/384132297.db2.gz ZJVGGFFCIATZFE-ZYHUDNBSSA-N 1 0 223.320 1.249 50 0 BDAARO O=S(=O)(CCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000040449880 384155194 /nfs/dbraw/zinc/15/51/94/384155194.db2.gz LYOBDBAPSLWXGY-GFCCVEGCSA-N 1 0 239.340 1.006 50 0 BDAARO [NH3+]C[C@@H](CO)c1ccc(Br)cc1 ZINC000071534507 384172229 /nfs/dbraw/zinc/17/22/29/384172229.db2.gz XOLHDBQTWXTIAC-QMMMGPOBSA-N 1 0 230.105 1.484 50 0 BDAARO [NH3+]CCc1cn(Cc2ccccc2)cn1 ZINC000040641215 384160089 /nfs/dbraw/zinc/16/00/89/384160089.db2.gz HJAAETDYBWUJCC-UHFFFAOYSA-N 1 0 201.273 1.433 50 0 BDAARO c1ccc2c(c1)C[C@H](C1CC[NH2+]CC1)O2 ZINC000002553934 384168392 /nfs/dbraw/zinc/16/83/92/384168392.db2.gz KDBAMHHAMQBFCQ-CYBMUJFWSA-N 1 0 203.285 1.990 50 0 BDAARO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[NH2+]1 ZINC000071790826 384180205 /nfs/dbraw/zinc/18/02/05/384180205.db2.gz DWPWUTVKBYXVLI-QWRGUYRKSA-N 1 0 211.305 1.718 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](F)[C@H](C[NH3+])C1 ZINC000072267106 384204483 /nfs/dbraw/zinc/20/44/83/384204483.db2.gz XGPKBQDMQMWFFR-BDAKNGLRSA-N 1 0 232.299 1.540 50 0 BDAARO O=C1CC[N@H+](Cc2cccc(F)c2)CCN1 ZINC000054867666 384214716 /nfs/dbraw/zinc/21/47/16/384214716.db2.gz JWETZXHKSXXXKK-UHFFFAOYSA-N 1 0 222.263 1.148 50 0 BDAARO CCOCCOCC[C@H]1CCC[NH2+]C1 ZINC000042771614 384243368 /nfs/dbraw/zinc/24/33/68/384243368.db2.gz DELOHVRANFGRNX-LLVKDONJSA-N 1 0 201.310 1.429 50 0 BDAARO C[C@H]1SCCN(C(=O)CCC[NH3+])[C@@H]1C ZINC000157708805 384265569 /nfs/dbraw/zinc/26/55/69/384265569.db2.gz SRARLJLXORQYSQ-RKDXNWHRSA-N 1 0 216.350 1.078 50 0 BDAARO C[C@H]1SCCN(C(=O)CCC[NH3+])[C@H]1C ZINC000157708947 384265648 /nfs/dbraw/zinc/26/56/48/384265648.db2.gz SRARLJLXORQYSQ-DTWKUNHWSA-N 1 0 216.350 1.078 50 0 BDAARO Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237600520 384309604 /nfs/dbraw/zinc/30/96/04/384309604.db2.gz WNUWHFJEWVWNCB-NWDGAFQWSA-N 1 0 248.326 1.322 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(Br)cc1 ZINC000012336308 384310955 /nfs/dbraw/zinc/31/09/55/384310955.db2.gz RETMUAMXYIIWAQ-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO Cc1cnn(C)c1C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000335461479 384287942 /nfs/dbraw/zinc/28/79/42/384287942.db2.gz JVFVQWVLAHBIPG-ZJUUUORDSA-N 1 0 211.284 1.709 50 0 BDAARO CSCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000023282217 384302087 /nfs/dbraw/zinc/30/20/87/384302087.db2.gz ROVISEVTHMLOQI-NXEZZACHSA-N 1 0 203.351 1.849 50 0 BDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000044682146 384352633 /nfs/dbraw/zinc/35/26/33/384352633.db2.gz OGIPSHDJYIEDKG-RKDXNWHRSA-N 1 0 214.309 1.733 50 0 BDAARO Cc1noc(CN(C)CCC2CCOCC2)n1 ZINC000120483122 384355904 /nfs/dbraw/zinc/35/59/04/384355904.db2.gz HENVRRPBRQSUGG-UHFFFAOYSA-N 1 0 239.319 1.627 50 0 BDAARO CC[NH+](CC)[C@@H](C(N)=O)c1ccccc1 ZINC000095202013 384366924 /nfs/dbraw/zinc/36/69/24/384366924.db2.gz GCJFHFOHKMTRKU-LLVKDONJSA-N 1 0 206.289 1.555 50 0 BDAARO COC(=O)c1cccc2c3c([nH]c21)CC[NH2+]C3 ZINC000012481109 384323153 /nfs/dbraw/zinc/32/31/53/384323153.db2.gz VNHMHKRFKYAGSJ-UHFFFAOYSA-N 1 0 230.267 1.600 50 0 BDAARO CC(C)(C)OC(=O)NCC1([NH3+])CCC1 ZINC000095742761 384392464 /nfs/dbraw/zinc/39/24/64/384392464.db2.gz WFPKQHOVCRLVAG-UHFFFAOYSA-N 1 0 200.282 1.393 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(CC(C[NH3+])C2)C1 ZINC000095743138 384392641 /nfs/dbraw/zinc/39/26/41/384392641.db2.gz XLVAGFMRBBLZLW-UHFFFAOYSA-N 1 0 226.320 1.592 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC12C[NH2+]C2 ZINC000095743104 384393392 /nfs/dbraw/zinc/39/33/92/384393392.db2.gz LKJGBDFOUJLYHT-MRVPVSSYSA-N 1 0 212.293 1.263 50 0 BDAARO C(C[C@@H]1CCC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000014632356 384399049 /nfs/dbraw/zinc/39/90/49/384399049.db2.gz KZTXXCCGELOEEL-RYUDHWBXSA-N 1 0 213.321 1.572 50 0 BDAARO [NH3+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000095882042 384404348 /nfs/dbraw/zinc/40/43/48/384404348.db2.gz DKKLHJPVCAKOMY-JTQLQIEISA-N 1 0 232.262 1.358 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccsc1 ZINC000095942466 384416450 /nfs/dbraw/zinc/41/64/50/384416450.db2.gz SKHDMTAEEVBFQP-DTWKUNHWSA-N 1 0 211.286 1.224 50 0 BDAARO FC1(F)CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000306212066 384416784 /nfs/dbraw/zinc/41/67/84/384416784.db2.gz JZBINXAXUOQSPQ-IUCAKERBSA-N 1 0 205.248 1.943 50 0 BDAARO CCO[C@@H]1C[C@H](N(C)C(=O)C[NH3+])C1(CC)CC ZINC000121858964 384442481 /nfs/dbraw/zinc/44/24/81/384442481.db2.gz QCKOSMDSLSCDIY-WDEREUQCSA-N 1 0 242.363 1.387 50 0 BDAARO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000122628348 384497920 /nfs/dbraw/zinc/49/79/20/384497920.db2.gz ISMKWEAFUHHREH-BXKDBHETSA-N 1 0 226.295 1.888 50 0 BDAARO Cc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000019735589 384535232 /nfs/dbraw/zinc/53/52/32/384535232.db2.gz CPMJSSANBOUJPZ-LBPRGKRZSA-N 1 0 204.317 1.961 50 0 BDAARO [NH3+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000019261428 384512519 /nfs/dbraw/zinc/51/25/19/384512519.db2.gz OJHPTRVTZGOWAO-LBPRGKRZSA-N 1 0 240.734 1.672 50 0 in-vivo BDAARO Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000019276836 384515916 /nfs/dbraw/zinc/51/59/16/384515916.db2.gz PBZRSXZRJDXLLM-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO [NH3+]C[C@@H](c1ccccc1F)N1CCOCC1 ZINC000019282447 384516482 /nfs/dbraw/zinc/51/64/82/384516482.db2.gz GOYHVBHGFOQIQB-LBPRGKRZSA-N 1 0 224.279 1.158 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000019396175 384519212 /nfs/dbraw/zinc/51/92/12/384519212.db2.gz ZVSRKMYNSBZEDC-MRVPVSSYSA-N 1 0 249.232 1.695 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000019406036 384519304 /nfs/dbraw/zinc/51/93/04/384519304.db2.gz BYKVUFAYHUFLEA-MRVPVSSYSA-N 1 0 201.216 1.075 50 0 BDAARO CCc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000019410737 384521381 /nfs/dbraw/zinc/52/13/81/384521381.db2.gz KQZCGABKDTUGOI-LBPRGKRZSA-N 1 0 218.300 1.940 50 0 BDAARO O=c1cc(C[NH+]2CCCCC2)[nH]cc1O ZINC000097673683 384541726 /nfs/dbraw/zinc/54/17/26/384541726.db2.gz HQVXGKKTYNXGKB-UHFFFAOYSA-N 1 0 208.261 1.066 50 0 BDAARO [NH3+]C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019843432 384546130 /nfs/dbraw/zinc/54/61/30/384546130.db2.gz LUURPVUDUOREFV-NSHDSACASA-N 1 0 205.305 1.252 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000050228872 384607414 /nfs/dbraw/zinc/60/74/14/384607414.db2.gz MFYRCAHFLPMSEM-VIFPVBQESA-N 1 0 205.261 1.252 50 0 BDAARO Cc1noc(C)c1CN1CCC([NH3+])CC1 ZINC000020521420 384620670 /nfs/dbraw/zinc/62/06/70/384620670.db2.gz MJMULZSJRSNEKM-UHFFFAOYSA-N 1 0 209.293 1.215 50 0 BDAARO COC(=O)[C@](C)(C[NH3+])c1ccc(F)cc1 ZINC000098096547 384592933 /nfs/dbraw/zinc/59/29/33/384592933.db2.gz BXMAZMPTTPAMES-LLVKDONJSA-N 1 0 211.236 1.215 50 0 BDAARO COC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000050974634 384654026 /nfs/dbraw/zinc/65/40/26/384654026.db2.gz UBXOGDCEHWDILC-AWEZNQCLSA-N 1 0 249.310 1.187 50 0 BDAARO Cc1nc(-c2ccncc2)[nH+]c(NN)c1C ZINC000051153649 384657462 /nfs/dbraw/zinc/65/74/62/384657462.db2.gz VCZLSQPSWBIHSE-UHFFFAOYSA-N 1 0 215.260 1.441 50 0 BDAARO COc1cc(N)ccc1OCC[NH+]1CCCC1 ZINC000022012928 384724466 /nfs/dbraw/zinc/72/44/66/384724466.db2.gz VBPMITJBSXBGOI-UHFFFAOYSA-N 1 0 236.315 1.752 50 0 BDAARO c1ccc2c(c1)CC[C@@H]([NH+]1CCOCC1)C2 ZINC000022007627 384724485 /nfs/dbraw/zinc/72/44/85/384724485.db2.gz XUNWLSIZOQCHMX-CQSZACIVSA-N 1 0 217.312 1.876 50 0 BDAARO Cc1cc(C)nc(OC2CC[NH2+]CC2)n1 ZINC000051865438 384695034 /nfs/dbraw/zinc/69/50/34/384695034.db2.gz RONCYNMBBPQIQM-UHFFFAOYSA-N 1 0 207.277 1.224 50 0 BDAARO Cc1csc(C[NH2+][C@H](C)Cn2cccn2)n1 ZINC000082725382 384707525 /nfs/dbraw/zinc/70/75/25/384707525.db2.gz LIVFVYJVDBQRAX-SECBINFHSA-N 1 0 236.344 1.826 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000178574708 384750784 /nfs/dbraw/zinc/75/07/84/384750784.db2.gz DBIXCYCRBQPHRB-ZYOFXKKJSA-N 1 0 248.301 1.646 50 0 BDAARO CCC1(C(=O)NCCC[NH2+]C)CCCC1 ZINC000087315654 384779722 /nfs/dbraw/zinc/77/97/22/384779722.db2.gz DRUGKQANBSOBCN-UHFFFAOYSA-N 1 0 212.337 1.683 50 0 BDAARO Cc1ccccc1[C@@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000083889170 384756081 /nfs/dbraw/zinc/75/60/81/384756081.db2.gz OJBMYOANXHUUBB-ZDUSSCGKSA-N 1 0 248.326 1.244 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C[NH3+])[C@@H]2C1 ZINC000103535047 384779966 /nfs/dbraw/zinc/77/99/66/384779966.db2.gz BZUMXXCFQUZQAV-AYMMMOKOSA-N 1 0 212.293 1.058 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2cc(F)ccc2C1 ZINC000083886288 384757576 /nfs/dbraw/zinc/75/75/76/384757576.db2.gz AGAGVLJELHHTMP-ZDUSSCGKSA-N 1 0 248.301 1.462 50 0 BDAARO Cc1ccc(C[C@H]2CCCN2C(=O)C[NH3+])cc1 ZINC000083888436 384757767 /nfs/dbraw/zinc/75/77/67/384757767.db2.gz UYBCXUAJHAINKI-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO COC[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000053172006 384765493 /nfs/dbraw/zinc/76/54/93/384765493.db2.gz XHXLNIRXMTWEBN-JTQLQIEISA-N 1 0 211.280 1.993 50 0 BDAARO [NH3+][C@@H]1CC[C@@H](C(=O)NCCC(F)(F)F)C1 ZINC000085013021 384770378 /nfs/dbraw/zinc/77/03/78/384770378.db2.gz RFDHMAXBMSMKPG-RNFRBKRXSA-N 1 0 224.226 1.182 50 0 BDAARO c1ccc(OCCNC2=[NH+]CCC2)cc1 ZINC000079458694 384896099 /nfs/dbraw/zinc/89/60/99/384896099.db2.gz QCPDNGVQJSGSOM-UHFFFAOYSA-N 1 0 204.273 1.847 50 0 BDAARO CO[C@H]1C[N@H+](Cc2cncs2)CC[C@@H]1C ZINC000188310623 384898340 /nfs/dbraw/zinc/89/83/40/384898340.db2.gz UXYBJSJEXNRBGO-ONGXEEELSA-N 1 0 226.345 2.000 50 0 BDAARO [NH3+]Cc1cc(Br)cc2n[nH]cc21 ZINC000086032147 384979634 /nfs/dbraw/zinc/97/96/34/384979634.db2.gz ZEVLHWXCTIUJHA-UHFFFAOYSA-N 1 0 226.077 1.784 50 0 BDAARO COC(=O)c1ccc(CSCC[NH3+])o1 ZINC000004334503 384963008 /nfs/dbraw/zinc/96/30/08/384963008.db2.gz QWULQPRQZMFWSE-UHFFFAOYSA-N 1 0 215.274 1.258 50 0 BDAARO c1cc2c(c(N3CC[NH2+]CC3)c1)CCC2 ZINC000085221622 385057098 /nfs/dbraw/zinc/05/70/98/385057098.db2.gz GJOBEWYDAQTKDU-UHFFFAOYSA-N 1 0 202.301 1.585 50 0 BDAARO COC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000062161088 385076064 /nfs/dbraw/zinc/07/60/64/385076064.db2.gz WUGXJICEYRNAIA-LBPRGKRZSA-N 1 0 220.316 1.940 50 0 BDAARO Cc1cnc([C@H]2CCCO2)n1C1CC[NH2+]CC1 ZINC000257174434 385039186 /nfs/dbraw/zinc/03/91/86/385039186.db2.gz GWQXEFCNPUIEME-GFCCVEGCSA-N 1 0 235.331 1.968 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706072 385183386 /nfs/dbraw/zinc/18/33/86/385183386.db2.gz FZQBFZQBXQAESY-SSDOTTSWSA-N 1 0 247.216 1.394 50 0 BDAARO C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C[NH3+] ZINC000269061107 385186174 /nfs/dbraw/zinc/18/61/74/385186174.db2.gz KHRRBQVDIKCTEE-AAEUAGOBSA-N 1 0 232.327 1.425 50 0 BDAARO Cn1cccc1C[NH2+]C1(CCO)CCOCC1 ZINC000096474737 385186602 /nfs/dbraw/zinc/18/66/02/385186602.db2.gz KPWMTERXAVHBCW-UHFFFAOYSA-N 1 0 238.331 1.046 50 0 BDAARO C[C@@H](CC[NH3+])N(C)C(=O)OC(C)(C)C ZINC000062152120 385162260 /nfs/dbraw/zinc/16/22/60/385162260.db2.gz XFKPVODVJHKDHG-QMMMGPOBSA-N 1 0 202.298 1.591 50 0 BDAARO C[C@H](O)CCN(C)CC[NH+]1CCCCC1 ZINC000096441474 385167570 /nfs/dbraw/zinc/16/75/70/385167570.db2.gz VMVIBSZJIYNJKZ-LBPRGKRZSA-N 1 0 214.353 1.175 50 0 BDAARO COC[C@](C)(CCO)[NH2+][C@@H]1C=CCCC1 ZINC000096461294 385180429 /nfs/dbraw/zinc/18/04/29/385180429.db2.gz JXPIGIQHTAOZTF-NEPJUHHUSA-N 1 0 213.321 1.472 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000269067057 385207495 /nfs/dbraw/zinc/20/74/95/385207495.db2.gz OTYMYAQDQPEUAZ-OUCADQQQSA-N 1 0 246.354 1.813 50 0 BDAARO CCSC[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000096483382 385220720 /nfs/dbraw/zinc/22/07/20/385220720.db2.gz HWAVZVUSWVFIER-LLVKDONJSA-N 1 0 244.404 1.682 50 0 BDAARO [NH3+]Cc1cc(Br)cnc1Cl ZINC000063772263 385233709 /nfs/dbraw/zinc/23/37/09/385233709.db2.gz ARXDICGBQGSYGZ-UHFFFAOYSA-N 1 0 221.485 1.956 50 0 BDAARO O=C1Nc2ccccc2[C@]12CCC[NH2+]C2 ZINC000033994112 385272959 /nfs/dbraw/zinc/27/29/59/385272959.db2.gz SVSIGYKHPRVZCP-GFCCVEGCSA-N 1 0 202.257 1.260 50 0 BDAARO O=C1C[N@@H+]2CC[C@H]1[C@@H](c1ccccc1)C2 ZINC000006475863 385286110 /nfs/dbraw/zinc/28/61/10/385286110.db2.gz YPNBQPYSEMXOHR-NWDGAFQWSA-N 1 0 201.269 1.675 50 0 BDAARO C[NH+](C)CCNC(=O)C1=Cc2ccccc2OC1 ZINC000021941849 385325573 /nfs/dbraw/zinc/32/55/73/385325573.db2.gz UOCPTRQUUKYSQO-UHFFFAOYSA-N 1 0 246.310 1.140 50 0 BDAARO c1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n[nH]1 ZINC000168990648 385398320 /nfs/dbraw/zinc/39/83/20/385398320.db2.gz BBYZZQVNIDVMHI-XQQFMLRXSA-N 1 0 247.342 1.847 50 0 BDAARO [NH3+]C[C@H](O)CNc1ccc2ccccc2c1 ZINC000095918121 385890324 /nfs/dbraw/zinc/89/03/24/385890324.db2.gz NQSFWBAVWYASRQ-ZDUSSCGKSA-N 1 0 216.284 1.571 50 0 BDAARO CCSCC[C@@H](C)N(C)C(=O)[C@H](C)[NH3+] ZINC000121643130 385860422 /nfs/dbraw/zinc/86/04/22/385860422.db2.gz MCLMRJIDUQYFBT-BDAKNGLRSA-N 1 0 218.366 1.324 50 0 BDAARO C[NH+](C)C[C@H]1COCCN(Cc2ccoc2)C1 ZINC000216277858 385863475 /nfs/dbraw/zinc/86/34/75/385863475.db2.gz PJZOCLIHFQEYFA-CYBMUJFWSA-N 1 0 238.331 1.290 50 0 BDAARO CC[NH+](CC)CCNNC1CCCCC1 ZINC000071773102 385875407 /nfs/dbraw/zinc/87/54/07/385875407.db2.gz LYJRMOPJOXVSOB-UHFFFAOYSA-N 1 0 213.369 1.755 50 0 BDAARO C[C@@H](CNN[C@H](C)Cc1ccccc1)C[NH+](C)C ZINC000071773091 385938759 /nfs/dbraw/zinc/93/87/59/385938759.db2.gz AMWQKRZOKPAZHA-UONOGXRCSA-N 1 0 249.402 1.910 50 0 BDAARO C[C@@H](Cc1ccccc1)NNCCC[NH+](C)C ZINC000071773108 385939835 /nfs/dbraw/zinc/93/98/35/385939835.db2.gz XGIITDYLRBIRTB-ZDUSSCGKSA-N 1 0 235.375 1.664 50 0 BDAARO CCC1(C(=O)N2CCC([NH3+])CC2)CCCC1 ZINC000087315278 386107377 /nfs/dbraw/zinc/10/73/77/386107377.db2.gz NDNPWJSORQNPDJ-UHFFFAOYSA-N 1 0 224.348 1.907 50 0 BDAARO C[C@H](O)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000334450657 386090324 /nfs/dbraw/zinc/09/03/24/386090324.db2.gz SEHZNQFIGJJSNH-QMMMGPOBSA-N 1 0 207.264 1.877 50 0 BDAARO COc1cc(CCC[NH3+])cc(OC)c1O ZINC000039169509 386201130 /nfs/dbraw/zinc/20/11/30/386201130.db2.gz GSVYQKPSPVNUNT-UHFFFAOYSA-N 1 0 211.261 1.301 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCc1ccncc1 ZINC000132577299 386247371 /nfs/dbraw/zinc/24/73/71/386247371.db2.gz MDTIIHQJDAAXAR-ZDUSSCGKSA-N 1 0 247.342 1.354 50 0 BDAARO FC(F)(F)c1ccc2c(n1)CC[NH2+]C2 ZINC000090557527 386315797 /nfs/dbraw/zinc/31/57/97/386315797.db2.gz XTHCVKRDECVOHA-UHFFFAOYSA-N 1 0 202.179 1.746 50 0 BDAARO FC(F)(F)c1ccc2c(n1)C[NH2+]CC2 ZINC000090557528 386316160 /nfs/dbraw/zinc/31/61/60/386316160.db2.gz KXEOITUVISETBJ-UHFFFAOYSA-N 1 0 202.179 1.746 50 0 BDAARO CN1CCC([NH2+][C@@H](CO)Cc2ccccc2)CC1 ZINC000063218067 386403224 /nfs/dbraw/zinc/40/32/24/386403224.db2.gz XIZJCVZDVFPTBT-OAHLLOKOSA-N 1 0 248.370 1.274 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(-c3cnccn3)ccc2O1 ZINC000299773871 386488990 /nfs/dbraw/zinc/48/89/90/386488990.db2.gz FOADLLLIAPVUTP-LLVKDONJSA-N 1 0 227.267 1.406 50 0 BDAARO CC(C)[N@H+](C)CCNC(=O)c1ccccc1O ZINC000054134689 386554703 /nfs/dbraw/zinc/55/47/03/386554703.db2.gz ZQWJDSQSTWTCIW-UHFFFAOYSA-N 1 0 236.315 1.462 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)ccc1F ZINC000063058156 386665609 /nfs/dbraw/zinc/66/56/09/386665609.db2.gz TXZSPKLWBDMJJG-LLVKDONJSA-N 1 0 236.290 1.697 50 0 BDAARO C[C@](CO)([NH2+]Cc1ncc[nH]1)C1CCCCC1 ZINC000330661831 386816152 /nfs/dbraw/zinc/81/61/52/386816152.db2.gz CNPFKQOUMSSDQQ-CYBMUJFWSA-N 1 0 237.347 1.831 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000053202407 387020796 /nfs/dbraw/zinc/02/07/96/387020796.db2.gz KARHKERLCWXMKJ-NSHDSACASA-N 1 0 236.315 1.720 50 0 BDAARO Cc1ccc(O)c(CN2CC[N@@H+](C)CC2(C)C)n1 ZINC000093457238 387191286 /nfs/dbraw/zinc/19/12/86/387191286.db2.gz TZWRLIOLONVHBK-UHFFFAOYSA-N 1 0 249.358 1.622 50 0 BDAARO CCOCC[N@@H+]1CC[C@H](OC(C)=O)[C@@H](C)C1 ZINC000006576970 387220935 /nfs/dbraw/zinc/22/09/35/387220935.db2.gz MHUCZGOYYLQXQM-JQWIXIFHSA-N 1 0 229.320 1.296 50 0 BDAARO [NH3+][C@@H](c1ccccc1)c1cccc(=O)[nH]1 ZINC000139618827 387312280 /nfs/dbraw/zinc/31/22/80/387312280.db2.gz VWAAALJNGHUMGC-LBPRGKRZSA-N 1 0 200.241 1.423 50 0 BDAARO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1 ZINC000103342063 387397471 /nfs/dbraw/zinc/39/74/71/387397471.db2.gz HQSXHGIEXVQPEY-GWCFXTLKSA-N 1 0 236.315 1.753 50 0 BDAARO CCSC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CC ZINC000119361381 387474236 /nfs/dbraw/zinc/47/42/36/387474236.db2.gz OWIILXFCLGWFDB-BDAKNGLRSA-N 1 0 218.366 1.324 50 0 BDAARO CC(=O)CCc1ccc(ON2CC[NH2+]CC2)cc1 ZINC000426656955 387584194 /nfs/dbraw/zinc/58/41/94/387584194.db2.gz NPSDXMOOXKRREC-UHFFFAOYSA-N 1 0 248.326 1.407 50 0 BDAARO Cc1cnn(C)c1C[NH+]1CCC(CF)CC1 ZINC000295104721 387745850 /nfs/dbraw/zinc/74/58/50/387745850.db2.gz UAGKZKANQBCRBN-UHFFFAOYSA-N 1 0 225.311 1.910 50 0 BDAARO C=CC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000521394072 387915305 /nfs/dbraw/zinc/91/53/05/387915305.db2.gz IKYJDFNPVYNTMF-LLVKDONJSA-N 1 0 210.321 1.553 50 0 BDAARO Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1F ZINC000063055880 177812563 /nfs/dbraw/zinc/81/25/63/177812563.db2.gz FENHWVQRRDPGLL-NSHDSACASA-N 1 0 236.290 1.616 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@@H](O)[C@@H](C)C1 ZINC000249006996 387988670 /nfs/dbraw/zinc/98/86/70/387988670.db2.gz JBUVYFZUJLISHT-QWHCGFSZSA-N 1 0 228.380 1.421 50 0 BDAARO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)ccc1F ZINC000063055872 177803996 /nfs/dbraw/zinc/80/39/96/177803996.db2.gz RLELOEKOPJCGDB-SNVBAGLBSA-N 1 0 222.263 1.226 50 0 BDAARO CC[C@H](CNC(=O)c1ccoc1)[NH+]1CCCC1 ZINC000042498814 388095060 /nfs/dbraw/zinc/09/50/60/388095060.db2.gz NPNZUZVIGFUEFK-GFCCVEGCSA-N 1 0 236.315 1.884 50 0 BDAARO Cn1cc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC000070632269 388147356 /nfs/dbraw/zinc/14/73/56/388147356.db2.gz ZAEOAHGCDBPDOF-UHFFFAOYSA-N 1 0 213.284 1.733 50 0 BDAARO CS(=O)(=O)c1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000083131566 388153163 /nfs/dbraw/zinc/15/31/63/388153163.db2.gz VBRYZFMXLYMOQN-UHFFFAOYSA-N 1 0 238.312 1.073 50 0 BDAARO Cc1nc(C(=O)NCC[NH+]2CCCC2)c(C)o1 ZINC000065293397 388256063 /nfs/dbraw/zinc/25/60/63/388256063.db2.gz NEEOHCHOZURGCD-UHFFFAOYSA-N 1 0 237.303 1.117 50 0 BDAARO Cn1ccnc1N1CC[NH+](CCC2CC2)CC1 ZINC000170591058 388238319 /nfs/dbraw/zinc/23/83/19/388238319.db2.gz WDXPHVMIQLAACX-UHFFFAOYSA-N 1 0 234.347 1.342 50 0 BDAARO C[C@H](CO)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037258164 388242200 /nfs/dbraw/zinc/24/22/00/388242200.db2.gz VBQGFAMFQOTPSQ-LLVKDONJSA-N 1 0 235.331 1.021 50 0 BDAARO C[N@H+](CCn1ccnn1)Cc1ccc(F)cc1 ZINC000170604862 388243435 /nfs/dbraw/zinc/24/34/35/388243435.db2.gz HEKGYGLDFNMQDQ-UHFFFAOYSA-N 1 0 234.278 1.549 50 0 BDAARO CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000037262830 388245433 /nfs/dbraw/zinc/24/54/33/388245433.db2.gz VBYFMUOQFLICQV-MNOVXSKESA-N 1 0 228.336 1.058 50 0 BDAARO CN(CCC[NH3+])C(=O)Cc1cccc(Cl)c1 ZINC000132813591 388369354 /nfs/dbraw/zinc/36/93/54/388369354.db2.gz PEHRPKVSYWACOM-UHFFFAOYSA-N 1 0 240.734 1.690 50 0 BDAARO C[C@H](CNC(=O)Nc1cn[nH]c1)[NH+]1CCCC1 ZINC000089901146 388370819 /nfs/dbraw/zinc/37/08/19/388370819.db2.gz CRCQXNGIELGGQU-SECBINFHSA-N 1 0 237.307 1.016 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000133706762 388388437 /nfs/dbraw/zinc/38/84/37/388388437.db2.gz SJRCDSGTDHLDSW-KTRBRXNASA-N 1 0 245.326 1.305 50 0 BDAARO O=C(c1ccc(F)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122443481 388393980 /nfs/dbraw/zinc/39/39/80/388393980.db2.gz HKPIOVLECFFSMH-OLZOCXBDSA-N 1 0 248.301 1.792 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CCC[C@H]([NH3+])C1 ZINC000255005457 388395658 /nfs/dbraw/zinc/39/56/58/388395658.db2.gz GWJAXXQSAIPEBV-CKXPSTMWSA-N 1 0 244.338 1.958 50 0 BDAARO CCc1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 ZINC000070953232 388441927 /nfs/dbraw/zinc/44/19/27/388441927.db2.gz OUJWDAZELOJYTN-UHFFFAOYSA-N 1 0 207.277 1.060 50 0 BDAARO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cccn2)on1 ZINC000071875571 388447012 /nfs/dbraw/zinc/44/70/12/388447012.db2.gz SXGPLJJFXSFSIA-LBPRGKRZSA-N 1 0 246.314 1.844 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC000195531515 388478145 /nfs/dbraw/zinc/47/81/45/388478145.db2.gz IADSUFVQROEZEH-GMTAPVOTSA-N 1 0 233.377 1.210 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]C[C@@H]2CCCCO2)c1 ZINC000069464381 388417528 /nfs/dbraw/zinc/41/75/28/388417528.db2.gz VXCHKZTYOUJLSL-OLZOCXBDSA-N 1 0 237.347 1.739 50 0 BDAARO Cc1noc(C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000040489567 388417878 /nfs/dbraw/zinc/41/78/78/388417878.db2.gz NUKMPXYUTGEZSZ-RKDXNWHRSA-N 1 0 209.293 1.856 50 0 BDAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccncc1 ZINC000069531616 388419352 /nfs/dbraw/zinc/41/93/52/388419352.db2.gz ZUNOIAHSHRIFMG-NSHDSACASA-N 1 0 245.326 1.296 50 0 BDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069582390 388421411 /nfs/dbraw/zinc/42/14/11/388421411.db2.gz GVRTVVOAQCJPLR-NWDGAFQWSA-N 1 0 247.346 1.664 50 0 BDAARO c1cncc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000069590039 388421541 /nfs/dbraw/zinc/42/15/41/388421541.db2.gz AESLNEAQYQLLJH-CQSZACIVSA-N 1 0 247.342 1.034 50 0 BDAARO COC[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000195543454 388479459 /nfs/dbraw/zinc/47/94/59/388479459.db2.gz HUFCTXNUIDZTCU-WDEREUQCSA-N 1 0 242.363 1.245 50 0 BDAARO CC(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069725121 388425354 /nfs/dbraw/zinc/42/53/54/388425354.db2.gz YJWPUCDOXDYKGG-GHMZBOCLSA-N 1 0 212.337 1.618 50 0 BDAARO CSCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069877483 388428484 /nfs/dbraw/zinc/42/84/84/388428484.db2.gz AXZMEPUJJQFTQK-QWRGUYRKSA-N 1 0 242.388 1.435 50 0 BDAARO Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)o1 ZINC000041297750 388435213 /nfs/dbraw/zinc/43/52/13/388435213.db2.gz YQDDBNQHOAEBSU-UHFFFAOYSA-N 1 0 224.304 1.658 50 0 BDAARO CO[C@H]1C[C@@H]([NH2+]CCn2ccnc2)C12CCC2 ZINC000308399172 388437626 /nfs/dbraw/zinc/43/76/26/388437626.db2.gz UYWLCTIRLWUZQC-NEPJUHHUSA-N 1 0 235.331 1.430 50 0 BDAARO Fc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000095067832 388591064 /nfs/dbraw/zinc/59/10/64/388591064.db2.gz YQBRLJWIIUWSJF-LBPRGKRZSA-N 1 0 208.280 1.667 50 0 BDAARO Cc1cc(F)c(C(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC000237649983 388595634 /nfs/dbraw/zinc/59/56/34/388595634.db2.gz SAROLALAUGDIPJ-MRVPVSSYSA-N 1 0 240.253 1.446 50 0 BDAARO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)NC ZINC000233984869 388595740 /nfs/dbraw/zinc/59/57/40/388595740.db2.gz GSTKSZOSMKSBOY-VHSXEESVSA-N 1 0 230.377 1.386 50 0 BDAARO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262638492 256862194 /nfs/dbraw/zinc/86/21/94/256862194.db2.gz QHPQFGRSHBFWIM-WHOHXGKFSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)n1cccc1 ZINC000096004699 388801712 /nfs/dbraw/zinc/80/17/12/388801712.db2.gz CXZBEOXRJWEUES-CHWSQXEVSA-N 1 0 249.358 1.459 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000157333142 388833157 /nfs/dbraw/zinc/83/31/57/388833157.db2.gz NSRDIFZCOPXXFO-DGCLKSJQSA-N 1 0 222.332 1.683 50 0 BDAARO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236871 388835596 /nfs/dbraw/zinc/83/55/96/388835596.db2.gz YBXPPECFUCGNBT-ZJUUUORDSA-N 1 0 226.345 1.736 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000299747204 388845473 /nfs/dbraw/zinc/84/54/73/388845473.db2.gz CIVRZTKJHNIDGS-RYDUCSDGSA-N 1 0 236.359 1.761 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000055718923 388845878 /nfs/dbraw/zinc/84/58/78/388845878.db2.gz UXERNLWKJFOGRW-IEBDPFPHSA-N 1 0 210.321 1.099 50 0 BDAARO [O-][n+]1cc(Cl)cc(Cl)c1N1CC[NH2+]CC1 ZINC000000140958 132312903 /nfs/dbraw/zinc/31/29/03/132312903.db2.gz MHOMPTFJLJHYDE-UHFFFAOYSA-N 1 0 248.113 1.036 50 0 BDAARO c1ccc2c(c1)ncnc2N1CC[NH2+]CC1 ZINC000002226722 132314730 /nfs/dbraw/zinc/31/47/30/132314730.db2.gz KLTHGJYCURVMAK-UHFFFAOYSA-N 1 0 214.272 1.039 50 0 BDAARO [NH3+]CCCN1CCN(c2ccc(F)cc2)CC1 ZINC000004245220 132316272 /nfs/dbraw/zinc/31/62/72/132316272.db2.gz ZIMZCTNITGRQJE-UHFFFAOYSA-N 1 0 237.322 1.297 50 0 BDAARO C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[NH2+]1 ZINC000015443069 132323076 /nfs/dbraw/zinc/32/30/76/132323076.db2.gz QJUQPDWOTZCCLR-QMMMGPOBSA-N 1 0 245.248 1.899 50 0 BDAARO CC(C)COc1cccc(N2CC[NH2+]CC2)n1 ZINC000019015197 132324076 /nfs/dbraw/zinc/32/40/76/132324076.db2.gz FTLURDYNTODIEK-UHFFFAOYSA-N 1 0 235.331 1.526 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000019486542 132325518 /nfs/dbraw/zinc/32/55/18/132325518.db2.gz HINSYONMYUFBCT-SECBINFHSA-N 1 0 204.273 1.313 50 0 BDAARO Cc1nc(N2CC[NH2+]CC2)cc(C(F)(F)F)n1 ZINC000020135893 132330196 /nfs/dbraw/zinc/33/01/96/132330196.db2.gz KKOCPUHZKUYMRV-UHFFFAOYSA-N 1 0 246.236 1.213 50 0 BDAARO C[C@H]1CCCN(c2ccc(C[NH3+])cn2)C1 ZINC000021954107 132332029 /nfs/dbraw/zinc/33/20/29/132332029.db2.gz UJKIIDCDVROYAU-JTQLQIEISA-N 1 0 205.305 1.777 50 0 BDAARO c1cc(N2CC[NH2+]CC2)ccc1-c1cncnc1 ZINC000032541411 132335621 /nfs/dbraw/zinc/33/56/21/132335621.db2.gz KPOZEGGSPGRZIX-UHFFFAOYSA-N 1 0 240.310 1.553 50 0 BDAARO c1cnc(N2CCC[C@H]([NH2+]C3CCCC3)C2)nc1 ZINC000037090089 132343595 /nfs/dbraw/zinc/34/35/95/132343595.db2.gz IFEAKNVBTVXGOD-ZDUSSCGKSA-N 1 0 246.358 1.978 50 0 BDAARO COc1cccc(N2CCC[C@@H]([NH3+])C2)c1 ZINC000043470481 132353154 /nfs/dbraw/zinc/35/31/54/132353154.db2.gz PBCVDMFQFFJJSO-SNVBAGLBSA-N 1 0 206.289 1.623 50 0 BDAARO c1ccc(-c2nccc(N3CC[NH2+]CC3)n2)cc1 ZINC000057218702 132365589 /nfs/dbraw/zinc/36/55/89/132365589.db2.gz PWGLOYAJWJRYSP-UHFFFAOYSA-N 1 0 240.310 1.553 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000000538235 133442155 /nfs/dbraw/zinc/44/21/55/133442155.db2.gz LRUXWUGFLRLGCD-NSHDSACASA-N 1 0 239.315 1.564 50 0 BDAARO CCOCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000077448863 135067401 /nfs/dbraw/zinc/06/74/01/135067401.db2.gz NTZQRKAGPPGBGS-LLVKDONJSA-N 1 0 240.347 1.014 50 0 BDAARO C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC(F)(F)F ZINC000086889082 135101740 /nfs/dbraw/zinc/10/17/40/135101740.db2.gz WIPDSRPTLINPPV-JGVFFNPUSA-N 1 0 238.253 1.443 50 0 BDAARO Cc1occc1C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000261530499 135158427 /nfs/dbraw/zinc/15/84/27/135158427.db2.gz FKMFLAKIYKYGJI-JTQLQIEISA-N 1 0 224.304 1.691 50 0 BDAARO CCCc1cnc(N2CC[C@@H](C[NH+](C)C)C2)nc1 ZINC000670470902 487528785 /nfs/dbraw/zinc/52/87/85/487528785.db2.gz YGBMGFMBRSMEGY-ZDUSSCGKSA-N 1 0 248.374 1.817 50 0 BDAARO COC[C@@H](C)NC(=O)C[N@H+](C)C1CCCCC1 ZINC000058160984 398070768 /nfs/dbraw/zinc/07/07/68/398070768.db2.gz NVJCNDFCGZKUER-LLVKDONJSA-N 1 0 242.363 1.402 50 0 BDAARO COC(=O)[C@@H](C)N(Cc1cncnc1)C1CCC1 ZINC000191643996 398081572 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/nfs/dbraw/zinc/91/52/84/410915284.db2.gz BPGFHRADEBCJJX-ZRDIBKRKSA-N 1 0 245.326 1.521 50 0 BDAARO CC(C)[C@@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000070534257 167349410 /nfs/dbraw/zinc/34/94/10/167349410.db2.gz IRUXBDVBSZWLAP-MNOVXSKESA-N 1 0 212.337 1.476 50 0 BDAARO CCCCN(CC(N)=O)Cc1cccc(F)c1 ZINC000048047745 411172265 /nfs/dbraw/zinc/17/22/65/411172265.db2.gz LYIIGWCVXWOFKO-UHFFFAOYSA-N 1 0 238.306 1.913 50 0 BDAARO CC/C=C(/C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000082486929 167827315 /nfs/dbraw/zinc/82/73/15/167827315.db2.gz RWKFFCXJNJDUTR-DKRCXCIFSA-N 1 0 224.348 1.849 50 0 BDAARO CC1CCC([NH2+][C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000098016424 168163981 /nfs/dbraw/zinc/16/39/81/168163981.db2.gz FSCOPBLVXBKRRI-HTAVTVPLSA-N 1 0 236.359 1.918 50 0 BDAARO CC1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000006726851 168177974 /nfs/dbraw/zinc/17/79/74/168177974.db2.gz BQSZPZYQCFTOOE-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO CC1CC[NH+](CCNC(=O)[C@H]2CCCO2)CC1 ZINC000046956510 168181181 /nfs/dbraw/zinc/18/11/81/168181181.db2.gz JAWQFHWKAMHFLC-GFCCVEGCSA-N 1 0 240.347 1.014 50 0 BDAARO CCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000057287887 168231519 /nfs/dbraw/zinc/23/15/19/168231519.db2.gz SWFMLKJUYBVJKN-ZDUSSCGKSA-N 1 0 234.343 1.686 50 0 BDAARO CCC(=O)c1ccccc1OCC[NH2+]C ZINC000002845398 168259209 /nfs/dbraw/zinc/25/92/09/168259209.db2.gz ZOZRDNACSNEHDK-UHFFFAOYSA-N 1 0 207.273 1.878 50 0 BDAARO CC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000069520987 170024041 /nfs/dbraw/zinc/02/40/41/170024041.db2.gz AWOOQMNHHPDOID-UHFFFAOYSA-N 1 0 207.321 1.922 50 0 BDAARO CCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC000058246607 170043959 /nfs/dbraw/zinc/04/39/59/170043959.db2.gz SVLHNXRZMIFDRM-UHFFFAOYSA-N 1 0 212.337 1.491 50 0 BDAARO CC[NH2+]CC(=O)Nc1cccc(OC)c1 ZINC000002650147 170109645 /nfs/dbraw/zinc/10/96/45/170109645.db2.gz JWXVXHBHBSTNAJ-UHFFFAOYSA-N 1 0 208.261 1.243 50 0 BDAARO CC[NH2+]Cc1cccc(OCCOC)c1 ZINC000034816152 170128653 /nfs/dbraw/zinc/12/86/53/170128653.db2.gz 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BDAARO CCOC(=O)c1cc(C[NH3+])cnc1C(F)F ZINC000096529555 170291463 /nfs/dbraw/zinc/29/14/63/170291463.db2.gz LKGNXKNZWHTLAV-UHFFFAOYSA-N 1 0 230.214 1.655 50 0 BDAARO CCOC(=O)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000038580846 170296749 /nfs/dbraw/zinc/29/67/49/170296749.db2.gz QFGHAYOAHABDHO-GFCCVEGCSA-N 1 0 235.283 1.604 50 0 BDAARO CCOC(C)(C)C[NH2+]Cc1cncnc1 ZINC000166940571 170313707 /nfs/dbraw/zinc/31/37/07/170313707.db2.gz PYKXVXBZZHBBSM-UHFFFAOYSA-N 1 0 209.293 1.381 50 0 BDAARO CCOCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000003305601 170380506 /nfs/dbraw/zinc/38/05/06/170380506.db2.gz DBOVVCRJHWWLMX-CYBMUJFWSA-N 1 0 223.316 1.736 50 0 BDAARO CCOCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000328598759 170389907 /nfs/dbraw/zinc/38/99/07/170389907.db2.gz OJQIDUJASQQVAK-LLVKDONJSA-N 1 0 200.326 1.049 50 0 BDAARO COC(C)(C)C[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000584885708 411861688 /nfs/dbraw/zinc/86/16/88/411861688.db2.gz CVRUVDMHKJOLIJ-QMMMGPOBSA-N 1 0 243.376 2.019 50 0 BDAARO CC[C@@H]1c2ccsc2CCN1CC(=O)NC ZINC000016420426 171163015 /nfs/dbraw/zinc/16/30/15/171163015.db2.gz PLHVJJFHTBJGPU-SNVBAGLBSA-N 1 0 238.356 1.803 50 0 BDAARO CC[C@H](C)C[NH2+]Cc1nnc2ccccn21 ZINC000020185702 171285558 /nfs/dbraw/zinc/28/55/58/171285558.db2.gz AGMCBPVDOSESCL-JTQLQIEISA-N 1 0 218.304 1.865 50 0 BDAARO CC[C@H](C)[NH+]1CCN(Cc2cccn2C)CC1 ZINC000019499948 171318566 /nfs/dbraw/zinc/31/85/66/171318566.db2.gz STZAHBNCYQOXLA-ZDUSSCGKSA-N 1 0 235.375 1.941 50 0 BDAARO CC[C@H](C)[NH+]1CCN(C(=O)c2ccncc2)CC1 ZINC000055250728 171319338 /nfs/dbraw/zinc/31/93/38/171319338.db2.gz YPLDWQVOEIZDSM-LBPRGKRZSA-N 1 0 247.342 1.638 50 0 BDAARO CC[C@H](C)[NH2+]Cc1ccc(C(=O)NC)o1 ZINC000000186799 171342784 /nfs/dbraw/zinc/34/27/84/171342784.db2.gz WQPHBGZERRNIRG-QMMMGPOBSA-N 1 0 210.277 1.527 50 0 BDAARO CCc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)o1 ZINC000122581194 171784359 /nfs/dbraw/zinc/78/43/59/171784359.db2.gz VKAWHDVOKUUVMP-SNVBAGLBSA-N 1 0 236.315 1.666 50 0 BDAARO CCn1c[n+](Cc2ccc(F)cc2)cn1 ZINC000252489846 172149706 /nfs/dbraw/zinc/14/97/06/172149706.db2.gz KCEUAYSEXQZBAH-UHFFFAOYSA-N 1 0 206.244 1.378 50 0 BDAARO CN(C(=O)OC(C)(C)C)C1(C)CC[NH2+]CC1 ZINC000060276637 172324474 /nfs/dbraw/zinc/32/44/74/172324474.db2.gz GPCLQDJDTKRXAQ-UHFFFAOYSA-N 1 0 228.336 1.995 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H]([NH3+])C1 ZINC000103539588 172325162 /nfs/dbraw/zinc/32/51/62/172325162.db2.gz OMNOXYPUAHSJRZ-ZKCHVHJHSA-N 1 0 200.282 1.343 50 0 BDAARO C[NH+](C)CCCOc1ccc(N)cc1F ZINC000014630614 172444950 /nfs/dbraw/zinc/44/49/50/172444950.db2.gz TZMBJCIZFGGBDX-UHFFFAOYSA-N 1 0 212.268 1.738 50 0 BDAARO C[NH+]1CCC(Oc2ccccc2N)CC1 ZINC000002538751 173000656 /nfs/dbraw/zinc/00/06/56/173000656.db2.gz BSAURXAWMKQULY-UHFFFAOYSA-N 1 0 206.289 1.742 50 0 BDAARO C[N@@H+]1CCCN(C(=O)CC(F)(F)F)CC1 ZINC000057994414 173011198 /nfs/dbraw/zinc/01/11/98/173011198.db2.gz LBYWWPBPEVXNEZ-UHFFFAOYSA-N 1 0 224.226 1.103 50 0 BDAARO C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000019536295 173016418 /nfs/dbraw/zinc/01/64/18/173016418.db2.gz VIPJLTZFERSEDJ-UHFFFAOYSA-N 1 0 222.307 1.963 50 0 BDAARO C[N@@H+]1CCC[C@@H](OC(=O)c2ccco2)C1 ZINC000000187980 173022704 /nfs/dbraw/zinc/02/27/04/173022704.db2.gz KTNFUDPJGVBBNF-SECBINFHSA-N 1 0 209.245 1.531 50 0 BDAARO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1CCC1 ZINC000071870362 173059364 /nfs/dbraw/zinc/05/93/64/173059364.db2.gz SLQPWQCNZATHKA-STQMWFEESA-N 1 0 236.359 1.872 50 0 BDAARO C[NH+]1CCN(CC[C@H](O)c2ccccc2)CC1 ZINC000034726343 173082040 /nfs/dbraw/zinc/08/20/40/173082040.db2.gz NWZJYCPAZYGHLT-AWEZNQCLSA-N 1 0 234.343 1.358 50 0 BDAARO C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000022454276 173088287 /nfs/dbraw/zinc/08/82/87/173088287.db2.gz HRICPVVGUFFWSM-UHFFFAOYSA-N 1 0 206.289 1.140 50 0 BDAARO C[NH+]1CCN(c2nc3ccc(O)cc3s2)CC1 ZINC000026424214 173096160 /nfs/dbraw/zinc/09/61/60/173096160.db2.gz UJFKIVLGRQRTJL-UHFFFAOYSA-N 1 0 249.339 1.754 50 0 BDAARO CN1CCO[C@@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC000105472096 173102515 /nfs/dbraw/zinc/10/25/15/173102515.db2.gz DITHNHSGTDZKGK-ZDUSSCGKSA-N 1 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CNC(=O)[C@@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000222132225 173294662 /nfs/dbraw/zinc/29/46/62/173294662.db2.gz MOCQEMYSENHSQM-UMBAGQNISA-N 1 0 236.290 1.563 50 0 BDAARO CNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000134810498 173295210 /nfs/dbraw/zinc/29/52/10/173295210.db2.gz GNWSGTHKHNIYGI-LMLFDSFASA-N 1 0 212.337 1.535 50 0 BDAARO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)s1 ZINC000092097575 173299016 /nfs/dbraw/zinc/29/90/16/173299016.db2.gz AEXUKIBVWKYXPW-NSHDSACASA-N 1 0 238.356 1.767 50 0 BDAARO C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000002392245 173323282 /nfs/dbraw/zinc/32/32/82/173323282.db2.gz CZYUGTLMFHDODF-UHFFFAOYSA-N 1 0 214.309 1.605 50 0 BDAARO C[NH2+]CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000035018047 173331643 /nfs/dbraw/zinc/33/16/43/173331643.db2.gz BYUUKMXAXDECEP-NSHDSACASA-N 1 0 246.354 1.962 50 0 BDAARO C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000004752135 173365717 /nfs/dbraw/zinc/36/57/17/173365717.db2.gz HMWQSDBOCWOADU-GFCCVEGCSA-N 1 0 231.295 1.799 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000040595972 173368003 /nfs/dbraw/zinc/36/80/03/173368003.db2.gz QCGBPULKGKNMQF-NSHDSACASA-N 1 0 235.331 1.097 50 0 BDAARO C[NH2+][C@H](C)Cc1cc2c(cc1O)OCO2 ZINC000000057353 173446963 /nfs/dbraw/zinc/44/69/63/173446963.db2.gz RQQIIXFYTHWFKW-SSDOTTSWSA-N 1 0 209.245 1.271 50 0 BDAARO COC(=O)c1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000014631693 173896989 /nfs/dbraw/zinc/89/69/89/173896989.db2.gz BHIOYRICHYKEPK-LBPRGKRZSA-N 1 0 235.283 1.604 50 0 BDAARO COC1CN(c2cc(C)nc(C3CC3)n2)C1 ZINC000341510034 174036234 /nfs/dbraw/zinc/03/62/34/174036234.db2.gz XUJQWFXCUDFWRD-UHFFFAOYSA-N 1 0 219.288 1.497 50 0 BDAARO COCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000036393507 174059540 /nfs/dbraw/zinc/05/95/40/174059540.db2.gz UPWGIUIHYUDOBD-UHFFFAOYSA-N 1 0 248.326 1.867 50 0 BDAARO COCC(C)(C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000066996044 174083128 /nfs/dbraw/zinc/08/31/28/174083128.db2.gz UGFPUBLYEAZUCH-UHFFFAOYSA-N 1 0 239.315 1.915 50 0 BDAARO COCCC[N@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000049331900 174217711 /nfs/dbraw/zinc/21/77/11/174217711.db2.gz URXBWNDADUCGMZ-GFCCVEGCSA-N 1 0 236.315 1.181 50 0 BDAARO COCCCn1c(C)c(C)c2c1nc[nH+]c2NN ZINC000006760649 174265470 /nfs/dbraw/zinc/26/54/70/174265470.db2.gz GSIHJIAUKOEKQC-UHFFFAOYSA-N 1 0 249.318 1.370 50 0 BDAARO COCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC000004687082 174303997 /nfs/dbraw/zinc/30/39/97/174303997.db2.gz BPIVSDRLPPGKPW-MNOVXSKESA-N 1 0 211.305 1.466 50 0 BDAARO COCCNC(=O)C[N@H+](C)CC1CCCCC1 ZINC000053140308 174320340 /nfs/dbraw/zinc/32/03/40/174320340.db2.gz NMXOHHOSSXUNLC-UHFFFAOYSA-N 1 0 242.363 1.261 50 0 BDAARO COCC[NH2+]CCOc1ccc(C)cc1C ZINC000002931909 174333792 /nfs/dbraw/zinc/33/37/92/174333792.db2.gz OXMPIPUTIQTBCN-UHFFFAOYSA-N 1 0 223.316 1.918 50 0 BDAARO COCCOc1ccccc1C[NH2+]C[C@@H](C)O ZINC000066116363 174369994 /nfs/dbraw/zinc/36/99/94/174369994.db2.gz FPDKZGAJQYBANN-LLVKDONJSA-N 1 0 239.315 1.182 50 0 BDAARO CO[C@H](CN1CC[NH2+]CC1)c1ccccc1 ZINC000019361233 174861012 /nfs/dbraw/zinc/86/10/12/174861012.db2.gz IYIGKZBUYCQJKO-CYBMUJFWSA-N 1 0 220.316 1.279 50 0 BDAARO COc1cc(OC)cc(C2=[NH+]CCN2)c1 ZINC000000616438 175010026 /nfs/dbraw/zinc/01/00/26/175010026.db2.gz JRZQWZPFSMSEPK-UHFFFAOYSA-N 1 0 206.245 1.054 50 0 BDAARO COc1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC000004298814 175058314 /nfs/dbraw/zinc/05/83/14/175058314.db2.gz NGVMABIEHAYKHH-UHFFFAOYSA-N 1 0 234.299 1.177 50 0 BDAARO COc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000042768859 175065279 /nfs/dbraw/zinc/06/52/79/175065279.db2.gz LJOOGMQXSUCRJF-UHFFFAOYSA-N 1 0 235.283 1.604 50 0 BDAARO COc1ccc(C2(CNC(N)=[NH2+])CC2)cc1 ZINC000097014812 175084621 /nfs/dbraw/zinc/08/46/21/175084621.db2.gz XWKBVGSPGKFGFS-UHFFFAOYSA-N 1 0 219.288 1.210 50 0 BDAARO COc1ccc(C[N@H+](C)C[C@H](C)O)cc1OC ZINC000049829770 175095973 /nfs/dbraw/zinc/09/59/73/175095973.db2.gz PHHSEESNIQJKRO-JTQLQIEISA-N 1 0 239.315 1.516 50 0 BDAARO COc1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000043501570 175114129 /nfs/dbraw/zinc/11/41/29/175114129.db2.gz WPOJOYWEHMHUOS-ZDUSSCGKSA-N 1 0 221.300 1.964 50 0 BDAARO COc1ccc(N2C[C@@H](C[NH3+])CC2=O)cc1 ZINC000006018313 175139058 /nfs/dbraw/zinc/13/90/58/175139058.db2.gz IQCQAUGHRIVTBI-SECBINFHSA-N 1 0 220.272 1.007 50 0 BDAARO COc1ccc([C@H]2CCC[N@H+](C)C2)cn1 ZINC000048564117 175194643 /nfs/dbraw/zinc/19/46/43/175194643.db2.gz IEUVJJGBKMXGRU-NSHDSACASA-N 1 0 206.289 1.899 50 0 BDAARO COc1ccc([C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)cc1 ZINC000058217451 175195870 /nfs/dbraw/zinc/19/58/70/175195870.db2.gz DJCQMCYREBSNLY-PWSUYJOCSA-N 1 0 248.326 1.358 50 0 BDAARO COc1ccc([C@H]2C[C@H](O)CC[NH2+]2)cc1OC ZINC000041278403 175198109 /nfs/dbraw/zinc/19/81/09/175198109.db2.gz VDHXXHSCTRTPAC-GHMZBOCLSA-N 1 0 237.299 1.489 50 0 BDAARO COc1ccc([C@H]2[C@@H](CO)CC[N@@H+]2C)cc1 ZINC000068593305 175198664 /nfs/dbraw/zinc/19/86/64/175198664.db2.gz BNBDNQGLPMOONQ-YPMHNXCESA-N 1 0 221.300 1.680 50 0 BDAARO COc1ccc2c(c1)N1CCC[NH+]=C1N2C ZINC000005328939 175211865 /nfs/dbraw/zinc/21/18/65/175211865.db2.gz WTYJRVXTTIEQNX-UHFFFAOYSA-N 1 0 217.272 1.711 50 0 BDAARO COc1ccc2c(cc3n2CCN2CC[NH+]=C32)c1 ZINC000001801726 175219115 /nfs/dbraw/zinc/21/91/15/175219115.db2.gz PPXBJJIEBCGBDW-UHFFFAOYSA-N 1 0 241.294 1.726 50 0 biogenic BDAARO COc1ccc2[nH+]c(C)cc(NCCO)c2c1 ZINC000003289318 175227683 /nfs/dbraw/zinc/22/76/83/175227683.db2.gz HOWVJJXVLJBFBU-UHFFFAOYSA-N 1 0 232.283 1.956 50 0 BDAARO COc1cccc(C[NH3+])c1OC(F)F ZINC000035413038 175257271 /nfs/dbraw/zinc/25/72/71/175257271.db2.gz BAPVXBFFQAGZOJ-UHFFFAOYSA-N 1 0 203.188 1.755 50 0 BDAARO COc1cccc(C[NH2+]Cc2cnn(C)c2)c1 ZINC000002536044 175265565 /nfs/dbraw/zinc/26/55/65/175265565.db2.gz IDLLZCSDDQSOTM-UHFFFAOYSA-N 1 0 231.299 1.719 50 0 BDAARO COc1cccc(CO[C@@H]2CCC[NH2+]C2)c1 ZINC000042782988 175269911 /nfs/dbraw/zinc/26/99/11/175269911.db2.gz YCKLYZYEGUYXSY-CYBMUJFWSA-N 1 0 221.300 1.964 50 0 BDAARO COc1cccc(N2C[C@@H](C[NH3+])CC2=O)c1 ZINC000019669557 175275900 /nfs/dbraw/zinc/27/59/00/175275900.db2.gz FVXAEMBHHJCAHJ-SECBINFHSA-N 1 0 220.272 1.007 50 0 BDAARO COc1cccc([C@@H](C[NH3+])N2CCCC2)c1 ZINC000095483751 175287882 /nfs/dbraw/zinc/28/78/82/175287882.db2.gz SNAJCUMTTLXNCP-CYBMUJFWSA-N 1 0 220.316 1.791 50 0 BDAARO COc1cccc([C@H]([NH3+])c2nccn2C)c1 ZINC000007738532 175294826 /nfs/dbraw/zinc/29/48/26/175294826.db2.gz RDRPMEIUVQBCHF-NSHDSACASA-N 1 0 217.272 1.477 50 0 BDAARO COc1cccc2c1ccn2CCC[NH3+] ZINC000059731485 175306456 /nfs/dbraw/zinc/30/64/56/175306456.db2.gz NNKPAEKRLSGKCQ-UHFFFAOYSA-N 1 0 204.273 1.999 50 0 BDAARO COc1ccccc1C(=O)NC1CC[NH+](C)CC1 ZINC000004805702 175318001 /nfs/dbraw/zinc/31/80/01/175318001.db2.gz RYGJINJTQHUXII-UHFFFAOYSA-N 1 0 248.326 1.519 50 0 BDAARO COc1ccccc1CCC[NH2+][C@@H]1CCCNC1 ZINC000067676398 175322193 /nfs/dbraw/zinc/32/21/93/175322193.db2.gz NBWDORVJUMADHK-CQSZACIVSA-N 1 0 248.370 1.969 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000011727383 175328145 /nfs/dbraw/zinc/32/81/45/175328145.db2.gz QKGZWLIROBNKIK-GFCCVEGCSA-N 1 0 221.300 1.652 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000000272112 175328312 /nfs/dbraw/zinc/32/83/12/175328312.db2.gz KOCUWMIONUKZSP-GFCCVEGCSA-N 1 0 235.327 1.900 50 0 BDAARO COc1ccccc1Cc1noc(C2C[NH2+]C2)n1 ZINC000048981085 175335308 /nfs/dbraw/zinc/33/53/08/175335308.db2.gz NRNZLRKRWHREBT-UHFFFAOYSA-N 1 0 245.282 1.356 50 0 BDAARO COc1ccccc1N1CC[C@@H](C[NH3+])C1 ZINC000011891654 175336186 /nfs/dbraw/zinc/33/61/86/175336186.db2.gz CVGYDKVFXXSBNS-JTQLQIEISA-N 1 0 206.289 1.480 50 0 BDAARO CSC[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000170612356 175528390 /nfs/dbraw/zinc/52/83/90/175528390.db2.gz GWVRHTKBFKDMSV-NXEZZACHSA-N 1 0 217.378 1.879 50 0 BDAARO C[C@@H]([NH2+]C1CC1)C(=O)N1CCCCCC1 ZINC000020315333 175858145 /nfs/dbraw/zinc/85/81/45/175858145.db2.gz UJINLSYBFFPJRI-SNVBAGLBSA-N 1 0 210.321 1.530 50 0 BDAARO C[C@@H](O)CN1CC[NH+](CC2CCCC2)CC1 ZINC000069697999 175973862 /nfs/dbraw/zinc/97/38/62/175973862.db2.gz WTILYKNBSBINNI-GFCCVEGCSA-N 1 0 226.364 1.175 50 0 BDAARO C[C@@H]([NH2+]CC(N)=O)[C@@H](C)c1ccccc1 ZINC000097048977 176023351 /nfs/dbraw/zinc/02/33/51/176023351.db2.gz MPAUKSZYXUXQRL-NXEZZACHSA-N 1 0 206.289 1.254 50 0 BDAARO C[C@@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000022120796 176024920 /nfs/dbraw/zinc/02/49/20/176024920.db2.gz UIJNEACQJVSKLI-JTQLQIEISA-N 1 0 208.280 1.792 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ncnn1C ZINC000193139626 176052173 /nfs/dbraw/zinc/05/21/73/176052173.db2.gz HMXHGGOHCJIEAH-NXEZZACHSA-N 1 0 222.336 1.729 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019473277 176068258 /nfs/dbraw/zinc/06/82/58/176068258.db2.gz UGNDVMGUDTUVJF-TZMCWYRMSA-N 1 0 246.354 1.957 50 0 BDAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCC1 ZINC000046858865 176071118 /nfs/dbraw/zinc/07/11/18/176071118.db2.gz MNDVIILYJAYKCD-LLVKDONJSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@@H]1CCCC[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000097096381 176088720 /nfs/dbraw/zinc/08/87/20/176088720.db2.gz XFWBBLBDEJZYHJ-VXGBXAGGSA-N 1 0 247.404 1.980 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccccc2)[C@H]1C[NH3+] ZINC000070534474 176095523 /nfs/dbraw/zinc/09/55/23/176095523.db2.gz BKXMYRRMVPQVMI-YPMHNXCESA-N 1 0 232.327 1.886 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccsc2)[C@@H]1C[NH3+] ZINC000069726129 176095805 /nfs/dbraw/zinc/09/58/05/176095805.db2.gz KBAZJDVDNLAWNF-MWLCHTKSSA-N 1 0 238.356 1.948 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000004989209 176124068 /nfs/dbraw/zinc/12/40/68/176124068.db2.gz QXPOPAWVLRBGAF-IJLUTSLNSA-N 1 0 224.348 1.823 50 0 BDAARO C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1[NH3+] ZINC000107259379 176159901 /nfs/dbraw/zinc/15/99/01/176159901.db2.gz SRPCZFCRBYSYDY-DGCLKSJQSA-N 1 0 248.326 1.992 50 0 BDAARO C[C@@H]1CC[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000084237592 176208357 /nfs/dbraw/zinc/20/83/57/176208357.db2.gz ZKBBQGSSDAJNKG-RKDXNWHRSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CCS(C)(=O)=O)C1 ZINC000095988371 176211909 /nfs/dbraw/zinc/21/19/09/176211909.db2.gz YZMUYQYDERYUQJ-GHMZBOCLSA-N 1 0 247.404 1.978 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000061920325 176254042 /nfs/dbraw/zinc/25/40/42/176254042.db2.gz GBJUGRJCSKLNMQ-YPMHNXCESA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1C[NH+](C[C@@H]2CCCCO2)C[C@@H](C)O1 ZINC000040460786 176297196 /nfs/dbraw/zinc/29/71/96/176297196.db2.gz GOUMEBZCQCSBQA-UTUOFQBUSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@H](C)CO1 ZINC000045784699 176297273 /nfs/dbraw/zinc/29/72/73/176297273.db2.gz USXZGNLJLFECDB-UTUOFQBUSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1CO ZINC000276756566 176304925 /nfs/dbraw/zinc/30/49/25/176304925.db2.gz IRCKDOYWJPFMFN-ZJUUUORDSA-N 1 0 224.279 1.281 50 0 BDAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH3+] ZINC000238854237 176307454 /nfs/dbraw/zinc/30/74/54/176307454.db2.gz NAEAIOLWLQLRLN-ZYHUDNBSSA-N 1 0 205.305 1.251 50 0 BDAARO C[C@@H]1C[NH2+]CC[C@H]1CNC(=O)OC(C)(C)C ZINC000129790112 176327689 /nfs/dbraw/zinc/32/76/89/176327689.db2.gz ALMDMKAJRBAOCD-ZJUUUORDSA-N 1 0 228.336 1.757 50 0 BDAARO C[C@@H]1C[NH2+]C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000060280135 176329478 /nfs/dbraw/zinc/32/94/78/176329478.db2.gz RBOGBIZGALIITO-RKDXNWHRSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000044682151 176371393 /nfs/dbraw/zinc/37/13/93/176371393.db2.gz OGIPSHDJYIEDKG-BDAKNGLRSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@@H]1OCC[C@]1(C)[NH2+]CCN1CCCCC1 ZINC000309828620 176482972 /nfs/dbraw/zinc/48/29/72/176482972.db2.gz XXPPZZYJYFKPQZ-STQMWFEESA-N 1 0 226.364 1.629 50 0 BDAARO C[C@@]1(CCn2cccn2)[NH2+]CCc2nc[nH]c21 ZINC000065375588 176530380 /nfs/dbraw/zinc/53/03/80/176530380.db2.gz MXKDAYYQYVPSDG-LBPRGKRZSA-N 1 0 231.303 1.057 50 0 BDAARO C[C@H](CC[NH3+])NC(=O)OCc1ccccc1 ZINC000039952293 176627674 /nfs/dbraw/zinc/62/76/74/176627674.db2.gz WOKDIYCOYIKOQP-SNVBAGLBSA-N 1 0 222.288 1.650 50 0 BDAARO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCCO)C1 ZINC000084686145 177063621 /nfs/dbraw/zinc/06/36/21/177063621.db2.gz VEQYPHJTDIRONH-WCQYABFASA-N 1 0 229.364 1.536 50 0 BDAARO C[C@H]1CCCC[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000097096382 177088857 /nfs/dbraw/zinc/08/88/57/177088857.db2.gz XFWBBLBDEJZYHJ-NWDGAFQWSA-N 1 0 247.404 1.980 50 0 BDAARO C[C@H]1CCCN(C(=O)c2cccn2C)[C@H]1C[NH3+] ZINC000070176537 177095337 /nfs/dbraw/zinc/09/53/37/177095337.db2.gz YTWKEDSVXWKYIB-JQWIXIFHSA-N 1 0 235.331 1.225 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccccc2)[C@H]1C[NH3+] ZINC000070534475 177095551 /nfs/dbraw/zinc/09/55/51/177095551.db2.gz BKXMYRRMVPQVMI-AAEUAGOBSA-N 1 0 232.327 1.886 50 0 BDAARO C[C@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000061920201 177224008 /nfs/dbraw/zinc/22/40/08/177224008.db2.gz GBJUGRJCSKLNMQ-WCQYABFASA-N 1 0 248.326 1.324 50 0 BDAARO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000024032227 177246185 /nfs/dbraw/zinc/24/61/85/177246185.db2.gz OTUAZIVSNAOXJJ-LBPRGKRZSA-N 1 0 248.326 1.736 50 0 BDAARO C[C@H]1CN(Cc2ccccc2)[C@@H](C)C[NH2+]1 ZINC000021986704 177266850 /nfs/dbraw/zinc/26/68/50/177266850.db2.gz WJTCHBVEUFDSIK-RYUDHWBXSA-N 1 0 204.317 1.869 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)c1coc2ccccc12 ZINC000070392949 177283647 /nfs/dbraw/zinc/28/36/47/177283647.db2.gz MMUVOJOSVHSZKS-JTQLQIEISA-N 1 0 244.294 1.867 50 0 BDAARO C[C@H]1C[C@@H](C(=O)NC2(C)CCC2)CC[NH2+]1 ZINC000235686840 177307739 /nfs/dbraw/zinc/30/77/39/177307739.db2.gz PBQLNGVETPMJFB-UWVGGRQHSA-N 1 0 210.321 1.433 50 0 BDAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CCn1cncn1 ZINC000107145225 487806281 /nfs/dbraw/zinc/80/62/81/487806281.db2.gz NJXXGWDQBDHXFI-GHMZBOCLSA-N 1 0 240.376 1.494 50 0 BDAARO CCc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000071143643 487863401 /nfs/dbraw/zinc/86/34/01/487863401.db2.gz RHYGAVATAYPIFV-CYBMUJFWSA-N 1 0 246.354 1.931 50 0 BDAARO [NH3+]CC[C@H]1CCCN(c2noc(C3CC3)n2)C1 ZINC000534588929 323154269 /nfs/dbraw/zinc/15/42/69/323154269.db2.gz ZSIWYTYZSZEFKQ-SECBINFHSA-N 1 0 236.319 1.512 50 0 BDAARO CC(=O)NC(C)(C)C[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000534588312 323154376 /nfs/dbraw/zinc/15/43/76/323154376.db2.gz HFJJAAICHXHCOW-VIFPVBQESA-N 1 0 238.335 1.193 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BDAARO CCC[C@H]1CCC[N@H+](C[C@H](O)COCC)C1 ZINC000089949990 488180192 /nfs/dbraw/zinc/18/01/92/488180192.db2.gz XDIKIVYATUGJNT-STQMWFEESA-N 1 0 229.364 1.896 50 0 BDAARO COC(=O)CC[N@H+](C)[C@@H](C)CC(C)C ZINC000045943801 490157310 /nfs/dbraw/zinc/15/73/10/490157310.db2.gz SLFYDUXHPIDSAH-JTQLQIEISA-N 1 0 201.310 1.916 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]CC[C@@H]21 ZINC000066309106 490248099 /nfs/dbraw/zinc/24/80/99/490248099.db2.gz HMLJDLIVSQQLPO-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO CO[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000072144481 491122493 /nfs/dbraw/zinc/12/24/93/491122493.db2.gz HRUUPODBLBTKNH-OLZOCXBDSA-N 1 0 233.311 1.370 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000493011590 534577090 /nfs/dbraw/zinc/57/70/90/534577090.db2.gz AWTOKVNXMZVMGJ-WBTMPAOCSA-N 1 0 244.338 1.958 50 0 BDAARO COc1ccc(C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000221164159 524072171 /nfs/dbraw/zinc/07/21/71/524072171.db2.gz INHUBZGVAKKUNI-CYBMUJFWSA-N 1 0 234.343 1.879 50 0 BDAARO 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C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(CO)c1 ZINC000888096556 635373091 /nfs/dbraw/zinc/37/30/91/635373091.db2.gz IWZBDHDDOQCYBB-WDEREUQCSA-N 1 0 248.326 1.001 50 0 BDAARO CC[C@@]1(c2cccc(O)c2)[C@@H]2C[NH2+]C[C@@H]21 ZINC000299803871 635891304 /nfs/dbraw/zinc/89/13/04/635891304.db2.gz IQHUEFJTHUQVFL-CLLJXQQHSA-N 1 0 203.285 1.889 50 0 BDAARO CCOc1cccc2c1OC[C@H]([C@H](C)[NH3+])C2 ZINC000675063568 640956195 /nfs/dbraw/zinc/95/61/95/640956195.db2.gz IITOSLYLEAZXOE-GXSJLCMTSA-N 1 0 221.300 1.984 50 0 BDAARO [NH3+]Cc1cc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000050478905 641156070 /nfs/dbraw/zinc/15/60/70/641156070.db2.gz MAXUZHNAMBEVAN-UHFFFAOYSA-N 1 0 209.199 1.814 50 0 BDAARO Cc1n(C)cc[n+]1Cc1cccc(F)c1 ZINC000000281346 642763541 /nfs/dbraw/zinc/76/35/41/642763541.db2.gz VYVKHEYVWCECMB-UHFFFAOYSA-N 1 0 205.256 1.808 50 0 BDAARO [NH3+][C@@H]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000072158648 643217855 /nfs/dbraw/zinc/21/78/55/643217855.db2.gz NDFDCELFUUXPPK-LLVKDONJSA-N 1 0 242.326 1.947 50 0 BDAARO 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/nfs/dbraw/zinc/78/59/85/988785985.db2.gz SWCNFSSDFNVDIJ-CYBMUJFWSA-N 1 0 248.374 1.783 50 0 BDAARO c1cn(CC[NH+]2CC(c3ccncc3)C2)cn1 ZINC001529145533 990334376 /nfs/dbraw/zinc/33/43/76/990334376.db2.gz BXDRURHJVYQHKE-UHFFFAOYSA-N 1 0 228.299 1.378 50 0 BDAARO CCCCNC(=O)CN(C)c1ccncc1F ZINC001529188777 990336443 /nfs/dbraw/zinc/33/64/43/990336443.db2.gz CNYQMHNDDAGFND-UHFFFAOYSA-N 1 0 239.294 1.573 50 0 BDAARO CSCC(=O)N(C)C[C@H](C)C[NH+]1CCCC1 ZINC001529188818 990336759 /nfs/dbraw/zinc/33/67/59/990336759.db2.gz DGYLHQMJKZYYAC-NSHDSACASA-N 1 0 244.404 1.540 50 0 BDAARO Cc1nn(C)c(NC(=O)C[NH3+])c1-c1ccccc1 ZINC001529192633 990337542 /nfs/dbraw/zinc/33/75/42/990337542.db2.gz ZDGBOAFVIRGZBR-UHFFFAOYSA-N 1 0 244.298 1.293 50 0 BDAARO Cc1cc(CNc2cc(C)[nH+]c(N)n2)cc(C)n1 ZINC000091745972 178041155 /nfs/dbraw/zinc/04/11/55/178041155.db2.gz IDKOQDXONAOQMJ-UHFFFAOYSA-N 1 0 243.314 1.991 50 0 BDAARO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)[nH]n1 ZINC000090529437 178055077 /nfs/dbraw/zinc/05/50/77/178055077.db2.gz HCVCJFSESCPAAG-MWLCHTKSSA-N 1 0 247.346 1.733 50 0 BDAARO Cc1cc2nc(C)cc(N(C)CC[NH+](C)C)n2n1 ZINC000072479991 178098414 /nfs/dbraw/zinc/09/84/14/178098414.db2.gz YFBGVNWDQMRWKQ-UHFFFAOYSA-N 1 0 247.346 1.344 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2C[NH3+] ZINC000261508976 398208855 /nfs/dbraw/zinc/20/88/55/398208855.db2.gz YSMVRMWNBGATCE-URLYPYJESA-N 1 0 240.347 1.838 50 0 BDAARO CCC(CC)[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000170595556 361771469 /nfs/dbraw/zinc/77/14/69/361771469.db2.gz JLLOPEBWFFQRCO-KOLCDFICSA-N 1 0 229.320 1.437 50 0 BDAARO Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)on1 ZINC000037820256 178242004 /nfs/dbraw/zinc/24/20/04/178242004.db2.gz RZCVOCKESCVREI-QWRGUYRKSA-N 1 0 249.314 1.399 50 0 BDAARO Cc1ccc(-n2nnnc2SCC[NH3+])c(C)c1 ZINC000002638937 178350749 /nfs/dbraw/zinc/35/07/49/178350749.db2.gz VXFWEKSJVRHXOK-UHFFFAOYSA-N 1 0 249.343 1.330 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CCC[C@H]([NH3+])C2)o1 ZINC000158069006 178352897 /nfs/dbraw/zinc/35/28/97/178352897.db2.gz CIOOIYIWTMLLDD-MLRMMBSGSA-N 1 0 234.299 1.551 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160243339 178353620 /nfs/dbraw/zinc/35/36/20/178353620.db2.gz BVGJUCLXSBTMBQ-KTRBRXNASA-N 1 0 230.311 1.568 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1F ZINC000104313896 178388794 /nfs/dbraw/zinc/38/87/94/178388794.db2.gz ACJYHRUFCSEKEF-LLVKDONJSA-N 1 0 236.290 1.697 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)n1 ZINC000071310028 178379512 /nfs/dbraw/zinc/37/95/12/178379512.db2.gz MSDAJSYWOZHJBT-LLVKDONJSA-N 1 0 233.315 1.132 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000020357434 178390915 /nfs/dbraw/zinc/39/09/15/178390915.db2.gz UUMWHMGHHHFHRR-LBPRGKRZSA-N 1 0 218.300 1.558 50 0 BDAARO O=C(O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000135992 342676373 /nfs/dbraw/zinc/67/63/73/342676373.db2.gz AHKAOMZZTQULDS-ZDUSSCGKSA-N 1 0 231.295 1.938 50 0 world BDAARO C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+] ZINC000000141848 342676731 /nfs/dbraw/zinc/67/67/31/342676731.db2.gz SFTSSVCRTXAUQR-SECBINFHSA-N 1 0 231.299 1.174 50 0 biogenic BDAARO O=C(C[NH+]1CCCC1)N1CCc2ccccc21 ZINC000000159547 342677958 /nfs/dbraw/zinc/67/79/58/342677958.db2.gz CAHNKZQTJIQAFI-UHFFFAOYSA-N 1 0 230.311 1.672 50 0 BDAARO CCn1ccnc1C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882019 342670640 /nfs/dbraw/zinc/67/06/40/342670640.db2.gz UHVYLMDTSSZQQK-NWDGAFQWSA-N 1 0 247.346 1.839 50 0 BDAARO CSc1ccc(C[NH+](CCO)CCO)cc1 ZINC000000041591 342670992 /nfs/dbraw/zinc/67/09/92/342670992.db2.gz IGTPHFVATRLJDJ-UHFFFAOYSA-N 1 0 241.356 1.195 50 0 BDAARO CN1CCC([N@H+](C)[C@H]2CCSC2)CC1 ZINC000000757540 342692519 /nfs/dbraw/zinc/69/25/19/342692519.db2.gz VGCCPBYPVNTBIK-NSHDSACASA-N 1 0 214.378 1.518 50 0 BDAARO CCNC(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC000071885924 342699732 /nfs/dbraw/zinc/69/97/32/342699732.db2.gz OIUPPCAOZFBMOS-UHFFFAOYSA-N 1 0 239.363 1.736 50 0 BDAARO Cc1c(CCO)sc[n+]1Cc1ccccc1 ZINC000004110282 342742610 /nfs/dbraw/zinc/74/26/10/342742610.db2.gz KFFCZLRCIKDJRE-UHFFFAOYSA-N 1 0 234.344 1.927 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccccc1O ZINC000004217432 342744509 /nfs/dbraw/zinc/74/45/09/342744509.db2.gz VSSAPBSVPUSKPK-UHFFFAOYSA-N 1 0 236.315 1.464 50 0 in-man BDAARO O=C([C@H]1CCCC[NH2+]1)N1CCCCCC1 ZINC000004312782 342746559 /nfs/dbraw/zinc/74/65/59/342746559.db2.gz SJIXUAHYLJYDCF-LLVKDONJSA-N 1 0 210.321 1.531 50 0 BDAARO C[C@@]12C[C@H](O)CC[N@@H+]1CCc1ccccc12 ZINC000004336175 342746714 /nfs/dbraw/zinc/74/67/14/342746714.db2.gz OJOJONSLWNYEQZ-OCCSQVGLSA-N 1 0 217.312 1.915 50 0 BDAARO CN1C(=O)/C(=C/C=C2/CCC[N@@H+]2C)OC1=S ZINC000004506931 342748364 /nfs/dbraw/zinc/74/83/64/342748364.db2.gz SRVLJRXQOLRBGW-VVRUXRSYSA-N 1 0 238.312 1.253 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000002527320 342722724 /nfs/dbraw/zinc/72/27/24/342722724.db2.gz HNINFCBLGHCFOJ-DTORHVGOSA-N 1 0 212.293 1.358 50 0 BDAARO Cn1ccnc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000003888551 342739081 /nfs/dbraw/zinc/73/90/81/342739081.db2.gz FBLUMZZMIGPTBP-JTQLQIEISA-N 1 0 205.236 1.607 50 0 BDAARO CCc1ccc(OCCC[NH2+]CCO)cc1 ZINC000004997212 342756187 /nfs/dbraw/zinc/75/61/87/342756187.db2.gz TVIFDFJALAXEMR-UHFFFAOYSA-N 1 0 223.316 1.600 50 0 BDAARO COc1cc(C=O)ccc1OCC[NH+]1CCCC1 ZINC000005014083 342756611 /nfs/dbraw/zinc/75/66/11/342756611.db2.gz XXYNHDRRTINCBF-UHFFFAOYSA-N 1 0 249.310 1.982 50 0 BDAARO CCOc1ccc(C[NH+](C)C)cc1C=O ZINC000006677887 342780943 /nfs/dbraw/zinc/78/09/43/342780943.db2.gz RFYIHQCJXTXTEV-UHFFFAOYSA-N 1 0 207.273 1.959 50 0 BDAARO OCC[C@@H]([NH2+]CC1OCCO1)C1CCCCC1 ZINC000097376808 342792050 /nfs/dbraw/zinc/79/20/50/342792050.db2.gz CKWSHNXNHWDKTL-GFCCVEGCSA-N 1 0 243.347 1.280 50 0 BDAARO CC[C@H](O)C[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000106845635 398286257 /nfs/dbraw/zinc/28/62/57/398286257.db2.gz XKEAZZUURSLRJE-DCAQKATOSA-N 1 0 211.309 1.193 50 0 BDAARO Cn1cc(C[NH2+]Cc2ccccc2)cn1 ZINC000002536037 342805858 /nfs/dbraw/zinc/80/58/58/342805858.db2.gz YKQNHRUCQWZYEX-UHFFFAOYSA-N 1 0 201.273 1.710 50 0 BDAARO CCCCN(C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011754317 342843012 /nfs/dbraw/zinc/84/30/12/342843012.db2.gz GJDGIJKSIQTENB-ZDUSSCGKSA-N 1 0 234.343 1.815 50 0 BDAARO CCO[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042424842 361996831 /nfs/dbraw/zinc/99/68/31/361996831.db2.gz VMSPHFYUYXNVTI-RYUDHWBXSA-N 1 0 240.347 1.156 50 0 BDAARO C[NH2+]Cc1ccccc1-c1nc(C)no1 ZINC000012370400 342850508 /nfs/dbraw/zinc/85/05/08/342850508.db2.gz LJDBGVKOXDSIQQ-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO CC[C@@H]([NH2+]Cc1nnc(C)s1)[C@H]1CCOC1 ZINC000134721290 342878553 /nfs/dbraw/zinc/87/85/53/342878553.db2.gz QCZKFHAUDZZMIH-VHSXEESVSA-N 1 0 241.360 1.751 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CCCNS(C)(=O)=O ZINC000013670162 342870410 /nfs/dbraw/zinc/87/04/10/342870410.db2.gz QDKZSDUQUIEIOQ-NSHDSACASA-N 1 0 248.392 1.190 50 0 BDAARO COc1cc(C[NH3+])ccc1OC[C@@H]1CCCO1 ZINC000014000200 342875674 /nfs/dbraw/zinc/87/56/74/342875674.db2.gz ZSKDHYZLZGYADN-NSHDSACASA-N 1 0 237.299 1.712 50 0 BDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000016741334 342915171 /nfs/dbraw/zinc/91/51/71/342915171.db2.gz VRMKOSISKYDBML-LLVKDONJSA-N 1 0 243.303 1.102 50 0 BDAARO c1cn(CCCNC2=[NH+]CCCCC2)cn1 ZINC000004005096 398327595 /nfs/dbraw/zinc/32/75/95/398327595.db2.gz MHZGNYZMAMJBFE-UHFFFAOYSA-N 1 0 220.320 1.835 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000019093081 342941614 /nfs/dbraw/zinc/94/16/14/342941614.db2.gz RVHUZQWAQLXOEQ-QMMMGPOBSA-N 1 0 210.302 1.311 50 0 BDAARO Cc1ccc(C)n1CCN1CC[NH2+]CC1 ZINC000019229989 342944248 /nfs/dbraw/zinc/94/42/48/342944248.db2.gz AUSXFRFXXDHSTC-UHFFFAOYSA-N 1 0 207.321 1.010 50 0 BDAARO O=C(c1c[nH]c2ccccc12)N1CCC[NH2+]CC1 ZINC000019488844 342949995 /nfs/dbraw/zinc/94/99/95/342949995.db2.gz CRLSAXBWJZZBHF-UHFFFAOYSA-N 1 0 243.310 1.603 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000019527260 342950983 /nfs/dbraw/zinc/95/09/83/342950983.db2.gz LOMXQNKDBFAGGB-ZDUSSCGKSA-N 1 0 219.332 1.656 50 0 BDAARO O=C(CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000019679972 342953707 /nfs/dbraw/zinc/95/37/07/342953707.db2.gz MJMYUSDGTVLVNX-UHFFFAOYSA-N 1 0 232.327 1.441 50 0 BDAARO COC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000019904766 342962571 /nfs/dbraw/zinc/96/25/71/342962571.db2.gz YEJQTWHNKLYFDQ-JTQLQIEISA-N 1 0 237.299 1.598 50 0 BDAARO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1=O)c1ccccc1 ZINC000019881561 342960787 /nfs/dbraw/zinc/96/07/87/342960787.db2.gz OTIMFDDQWBRHNR-MWLCHTKSSA-N 1 0 232.283 1.095 50 0 BDAARO CN(C)c1ccc(-c2noc(CCC[NH3+])n2)cc1 ZINC000020268724 342979404 /nfs/dbraw/zinc/97/94/04/342979404.db2.gz PWTFJVMCCJHIBD-UHFFFAOYSA-N 1 0 246.314 1.694 50 0 BDAARO Nc1c[nH+]c2ccc(Br)cn12 ZINC000020357626 342983173 /nfs/dbraw/zinc/98/31/73/342983173.db2.gz PGSBYVUIXGOCGV-UHFFFAOYSA-N 1 0 212.050 1.679 50 0 BDAARO COc1cc(C(=O)N2CC[NH2+]CC2)ccc1C ZINC000021951327 343029368 /nfs/dbraw/zinc/02/93/68/343029368.db2.gz VXACBURYAYNPEN-UHFFFAOYSA-N 1 0 234.299 1.049 50 0 BDAARO C[C@H](CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000021952796 343029831 /nfs/dbraw/zinc/02/98/31/343029831.db2.gz LZJGMEGORFZXAZ-GFCCVEGCSA-N 1 0 232.327 1.612 50 0 BDAARO O=C1NCCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000006158119 343067679 /nfs/dbraw/zinc/06/76/79/343067679.db2.gz UZWNXMOVIQFGLT-GFCCVEGCSA-N 1 0 224.348 1.968 50 0 BDAARO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC1 ZINC000150688111 136273477 /nfs/dbraw/zinc/27/34/77/136273477.db2.gz AEUXIDISODZGBX-GHMZBOCLSA-N 1 0 210.321 1.563 50 0 BDAARO COC(=O)CC[NH2+]Cc1cccc(C)c1 ZINC000032629212 343239251 /nfs/dbraw/zinc/23/92/51/343239251.db2.gz AUAJYZGIRGATDQ-UHFFFAOYSA-N 1 0 207.273 1.648 50 0 BDAARO [NH3+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000033426927 343253972 /nfs/dbraw/zinc/25/39/72/343253972.db2.gz ZSMIAVSFNGTAEH-VIFPVBQESA-N 1 0 241.132 1.987 50 0 BDAARO Fc1ccc(F)c2c1O[C@H]1C[NH2+]C[C@@H]1O2 ZINC000034084425 343264411 /nfs/dbraw/zinc/26/44/11/343264411.db2.gz GYKCNGKCSFNDLB-YUMQZZPRSA-N 1 0 213.183 1.076 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000035220403 343290036 /nfs/dbraw/zinc/29/00/36/343290036.db2.gz CFRNBNUWGNIDCI-NSHDSACASA-N 1 0 212.337 1.761 50 0 BDAARO O=C(CCCc1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000034940603 343281214 /nfs/dbraw/zinc/28/12/14/343281214.db2.gz VBKWQALMRWRCMI-AWEZNQCLSA-N 1 0 246.354 1.878 50 0 BDAARO COC(C)(C)C[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000036781387 343324423 /nfs/dbraw/zinc/32/44/23/343324423.db2.gz YKHYPORDJHBVEE-SNVBAGLBSA-N 1 0 230.352 1.304 50 0 BDAARO [NH3+][C@H]1CCCS(=O)(=O)c2ccccc21 ZINC000036928877 343327871 /nfs/dbraw/zinc/32/78/71/343327871.db2.gz GJYAGSACOOAPDF-VIFPVBQESA-N 1 0 211.286 1.254 50 0 BDAARO CCC[C@H]([NH3+])C(=O)Nc1ccc(N(C)C)nc1 ZINC000037020107 343331052 /nfs/dbraw/zinc/33/10/52/343331052.db2.gz RWYULDFLRRZZGI-JTQLQIEISA-N 1 0 236.319 1.214 50 0 BDAARO [NH3+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000038124671 343371836 /nfs/dbraw/zinc/37/18/36/343371836.db2.gz JWTHBJZFPGRTLL-ZETCQYMHSA-N 1 0 221.178 1.577 50 0 BDAARO CCN(CC)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000038342368 343374314 /nfs/dbraw/zinc/37/43/14/343374314.db2.gz XKUBBJOWPFWROY-UHFFFAOYSA-N 1 0 238.335 1.639 50 0 BDAARO O=C([C@H]1C[C@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038478381 343375240 /nfs/dbraw/zinc/37/52/40/343375240.db2.gz FDIWYIFTXYRORN-STQMWFEESA-N 1 0 248.301 1.361 50 0 BDAARO C[C@@]([NH3+])(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000037460087 343345937 /nfs/dbraw/zinc/34/59/37/343345937.db2.gz UNGTZAKKKXQMGE-VIFPVBQESA-N 1 0 232.205 1.365 50 0 BDAARO O=C(OC1CC[NH2+]CC1)C(Cl)(Cl)Cl ZINC000042768648 343451107 /nfs/dbraw/zinc/45/11/07/343451107.db2.gz SITCJTXROSRUJE-UHFFFAOYSA-N 1 0 246.521 1.652 50 0 BDAARO O=C(OCC[C@@H]1CCCC[NH2+]1)c1ccncc1 ZINC000042768315 343451295 /nfs/dbraw/zinc/45/12/95/343451295.db2.gz GUZALBXUKMEQBD-LBPRGKRZSA-N 1 0 234.299 1.771 50 0 BDAARO O=C1CC[NH2+]CCN1Cc1ccccc1 ZINC000042784330 343454177 /nfs/dbraw/zinc/45/41/77/343454177.db2.gz WTNTYWGHCZVCAT-UHFFFAOYSA-N 1 0 204.273 1.009 50 0 BDAARO Cc1ccc(C[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000043396081 343469606 /nfs/dbraw/zinc/46/96/06/343469606.db2.gz SCNSRESKFMIBLE-UHFFFAOYSA-N 1 0 222.679 1.688 50 0 BDAARO CC(C)C[C@H]([NH3+])CNC(=O)OC(C)(C)C ZINC000062152021 343733777 /nfs/dbraw/zinc/73/37/77/343733777.db2.gz OMUFVQWMZAPPGI-VIFPVBQESA-N 1 0 216.325 1.885 50 0 BDAARO CC(C)N1CC[C@H]([NH+]2C[C@@H]3CC=CC[C@H]3C2)C1=O ZINC000248156195 537813353 /nfs/dbraw/zinc/81/33/53/537813353.db2.gz IOIARESROGWGMG-IHRRRGAJSA-N 1 0 248.370 1.894 50 0 BDAARO C[C@@H]1C[C@H](CN(C)Cc2nc[nH]n2)CCO1 ZINC000408145061 344159942 /nfs/dbraw/zinc/15/99/42/344159942.db2.gz PKSMCXUEDYQTHS-NXEZZACHSA-N 1 0 224.308 1.052 50 0 BDAARO [NH3+]CCCNC(=O)O[C@@H]1CCC=CCCC1 ZINC000098050694 344197378 /nfs/dbraw/zinc/19/73/78/344197378.db2.gz MMNVKTBTNQJBEE-LLVKDONJSA-N 1 0 226.320 1.950 50 0 BDAARO CC(C)[C@H](CNCc1cncnc1)[NH+]1CCCC1 ZINC000054767177 344246299 /nfs/dbraw/zinc/24/62/99/344246299.db2.gz MSJXYQVNPPFRCJ-AWEZNQCLSA-N 1 0 248.374 1.687 50 0 BDAARO CCN(Cc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000091908129 344286795 /nfs/dbraw/zinc/28/67/95/344286795.db2.gz TVDHNQDQTKWWSH-ZDUSSCGKSA-N 1 0 219.332 1.656 50 0 BDAARO CN(CCOc1cccc(Cl)c1)CC(N)=O ZINC000014093969 344431777 /nfs/dbraw/zinc/43/17/77/344431777.db2.gz PFMKRJGXGGUGMW-UHFFFAOYSA-N 1 0 242.706 1.136 50 0 BDAARO c1cc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)on1 ZINC000072233351 344519148 /nfs/dbraw/zinc/51/91/48/344519148.db2.gz JSCXMDBBGJPRRS-QMMMGPOBSA-N 1 0 218.260 1.532 50 0 BDAARO O=C(CNC1=[NH+]CCC1)c1ccccc1 ZINC000000238534 344655281 /nfs/dbraw/zinc/65/52/81/344655281.db2.gz CQHPKHQHHAGLCE-UHFFFAOYSA-N 1 0 202.257 1.651 50 0 BDAARO C[C@H](CC[NH2+][C@H]1CCCSC1)[S@](C)=O ZINC000221365216 344736586 /nfs/dbraw/zinc/73/65/86/344736586.db2.gz SFZPLFHIPZQDPK-BFVZDQMLSA-N 1 0 235.418 1.629 50 0 BDAARO OC[C@@H](O)C[NH2+]C1CCC2(CCCCC2)CC1 ZINC000408259707 344957463 /nfs/dbraw/zinc/95/74/63/344957463.db2.gz PKGHZMZGLGIDON-ZDUSSCGKSA-N 1 0 241.375 1.822 50 0 BDAARO COCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000253370304 345634788 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QRGQXVUZVXXWAG-WCQYABFASA-N 1 0 205.301 1.889 50 0 BDAARO Cc1nc(C2([NH3+])CCCCC2)[nH]c(=O)c1C ZINC000069902627 179923782 /nfs/dbraw/zinc/92/37/82/179923782.db2.gz KQZUVKJFVBPEQM-UHFFFAOYSA-N 1 0 221.304 1.505 50 0 BDAARO Cc1nnc([C@H](C)[NH2+]C2CCSCC2)[nH]1 ZINC000065499451 180048901 /nfs/dbraw/zinc/04/89/01/180048901.db2.gz KKPNGPZJKBJAJP-ZETCQYMHSA-N 1 0 226.349 1.659 50 0 BDAARO CCNC(=O)NC[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1 ZINC000725255329 538050994 /nfs/dbraw/zinc/05/09/94/538050994.db2.gz YYKQCVCCZVDKAO-ZWNOBZJWSA-N 1 0 241.379 1.849 50 0 BDAARO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)CO ZINC000063221109 180081252 /nfs/dbraw/zinc/08/12/52/180081252.db2.gz VPDQKEHESKNPOO-ZETCQYMHSA-N 1 0 205.261 1.480 50 0 BDAARO Cc1ncccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237619891 180224805 /nfs/dbraw/zinc/22/48/05/180224805.db2.gz WNACTHNMRGUSCE-NSHDSACASA-N 1 0 249.314 1.097 50 0 BDAARO C[C@@H]1N(C)CCO[C@]1(O)c1ccccc1 ZINC000034290681 350262419 /nfs/dbraw/zinc/26/24/19/350262419.db2.gz RQSXOILZKDHRSN-JQWIXIFHSA-N 1 0 207.273 1.182 50 0 BDAARO CC(C)[C@H]([NH2+]CC(N)=O)c1cccs1 ZINC000029189695 350365886 /nfs/dbraw/zinc/36/58/86/350365886.db2.gz ZJFAZVDXZOVMBO-JTQLQIEISA-N 1 0 212.318 1.520 50 0 BDAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH3+] ZINC000074942740 180347198 /nfs/dbraw/zinc/34/71/98/180347198.db2.gz ULNUKJVDCAEMRH-GXSJLCMTSA-N 1 0 209.293 1.073 50 0 BDAARO Cc1noc(C)c1CNC(=O)[C@H]([NH3+])CC(C)C ZINC000071755524 180472132 /nfs/dbraw/zinc/47/21/32/180472132.db2.gz ASRAVJIYMKMIOQ-LLVKDONJSA-N 1 0 239.319 1.281 50 0 BDAARO Clc1cccc(CCNC2=[NH+]CCCN2)c1 ZINC000065475337 180589046 /nfs/dbraw/zinc/58/90/46/180589046.db2.gz XYQWXCISCRDNGT-UHFFFAOYSA-N 1 0 237.734 1.821 50 0 BDAARO Clc1cccnc1N1CCC[NH2+]CC1 ZINC000019015135 180596069 /nfs/dbraw/zinc/59/60/69/180596069.db2.gz CYHSXTLNQKPUQO-UHFFFAOYSA-N 1 0 211.696 1.535 50 0 BDAARO CC(C)c1cncnc1N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000067856267 187614476 /nfs/dbraw/zinc/61/44/76/187614476.db2.gz IYMPBIHUHNNBMC-NXEZZACHSA-N 1 0 220.320 1.892 50 0 BDAARO CCCC[C@@H](NC(=O)CC[NH3+])C1CCC1 ZINC000225464265 363135491 /nfs/dbraw/zinc/13/54/91/363135491.db2.gz QCAJRGAEYFFSFY-LLVKDONJSA-N 1 0 212.337 1.810 50 0 BDAARO C([NH2+]CC1CCOCC1)C1CCOCC1 ZINC000059683289 187668151 /nfs/dbraw/zinc/66/81/51/187668151.db2.gz KIEWALMBEJMNTD-UHFFFAOYSA-N 1 0 213.321 1.429 50 0 BDAARO O[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000334519123 352343481 /nfs/dbraw/zinc/34/34/81/352343481.db2.gz OZXKSFLFCVBNEQ-SNVBAGLBSA-N 1 0 219.275 1.879 50 0 BDAARO CCOc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178568998 188252951 /nfs/dbraw/zinc/25/29/51/188252951.db2.gz TYUDFDLYIQUGER-LLVKDONJSA-N 1 0 248.326 1.506 50 0 BDAARO C[NH+](C)CCOC(=O)c1ccc(Cl)c(N)c1 ZINC000000001202 188271711 /nfs/dbraw/zinc/27/17/11/188271711.db2.gz BMDZNGISRKXXIF-UHFFFAOYSA-N 1 0 242.706 1.641 50 0 in-man BDAARO C[NH+](C)CCO[C@H]1COCc2ccccc21 ZINC000000377852 188273490 /nfs/dbraw/zinc/27/34/90/188273490.db2.gz GWHIHIWWLVHTFJ-ZDUSSCGKSA-N 1 0 221.300 1.836 50 0 BDAARO C1=C[C@]2(CC[NH2+]C2)Oc2cc3c(cc21)OCO3 ZINC000036141955 188278787 /nfs/dbraw/zinc/27/87/87/188278787.db2.gz IJNAXKKFAGAUJS-CYBMUJFWSA-N 1 0 231.251 1.553 50 0 BDAARO CC(C)=CCC12CN3CC(C[N@H+](C1)CC3)C2=O ZINC000019858333 188281834 /nfs/dbraw/zinc/28/18/34/188281834.db2.gz UWFRUHNXTVTSAA-UHFFFAOYSA-N 1 0 234.343 1.159 50 0 BDAARO CC(C)[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000019787487 188281873 /nfs/dbraw/zinc/28/18/73/188281873.db2.gz WEBQSTUEUGDUSD-UHFFFAOYSA-N 1 0 246.354 1.782 50 0 BDAARO CC(C)([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000019672407 188281911 /nfs/dbraw/zinc/28/19/11/188281911.db2.gz QODCZGOKJSQHMW-UHFFFAOYSA-N 1 0 218.300 1.309 50 0 BDAARO Cc1nc(C)c(Br)c(NN)[nH+]1 ZINC000075627180 188308087 /nfs/dbraw/zinc/30/80/87/188308087.db2.gz LYMXYJBYKMOFGO-UHFFFAOYSA-N 1 0 217.070 1.142 50 0 BDAARO OC[C@H]1CSC[C@H](c2ccccc2)[NH2+]1 ZINC000068575697 188304605 /nfs/dbraw/zinc/30/46/05/188304605.db2.gz UWFUIBSJCDOJPV-WDEREUQCSA-N 1 0 209.314 1.425 50 0 BDAARO CC(=O)NCCC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000092560226 188305492 /nfs/dbraw/zinc/30/54/92/188305492.db2.gz INVSLLICMTXVTR-AAEUAGOBSA-N 1 0 226.364 1.929 50 0 BDAARO CC(C)(CNC(N)=[NH2+])c1cccc(F)c1 ZINC000095960297 188321242 /nfs/dbraw/zinc/32/12/42/188321242.db2.gz YAJJUKQDNLHZGS-UHFFFAOYSA-N 1 0 209.268 1.586 50 0 BDAARO C/C(=C/c1ccccc1)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000095982239 188321638 /nfs/dbraw/zinc/32/16/38/188321638.db2.gz KCEHZIMSQLELNY-UQTJOTSZSA-N 1 0 244.338 1.897 50 0 BDAARO CC(=O)N1CC[C@H]([NH3+])c2ccc(F)cc2C1 ZINC000095829689 188321718 /nfs/dbraw/zinc/32/17/18/188321718.db2.gz FQGMSZLBARVVOU-LBPRGKRZSA-N 1 0 222.263 1.578 50 0 BDAARO COCc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000237204891 188327523 /nfs/dbraw/zinc/32/75/23/188327523.db2.gz YLWQGIFVEFWQBL-LBPRGKRZSA-N 1 0 234.299 1.006 50 0 BDAARO CC(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000019609142 188354570 /nfs/dbraw/zinc/35/45/70/188354570.db2.gz XQYKCRQRBYLELO-UHFFFAOYSA-N 1 0 246.354 1.783 50 0 BDAARO Fc1cccc(OC[C@@H]2[NH2+]CCS2)c1 ZINC000020444967 181002534 /nfs/dbraw/zinc/00/25/34/181002534.db2.gz ZQBBRHDXJIZLDR-SNVBAGLBSA-N 1 0 213.277 1.867 50 0 BDAARO Fc1ccccc1CN1CCC[NH2+]CC1 ZINC000023093603 181011377 /nfs/dbraw/zinc/01/13/77/181011377.db2.gz MIIIOVWEOPQCKE-UHFFFAOYSA-N 1 0 208.280 1.621 50 0 BDAARO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccncc1F ZINC000334735937 354536637 /nfs/dbraw/zinc/53/66/37/354536637.db2.gz XLFRCRPCQIZEIN-GHMZBOCLSA-N 1 0 224.279 1.470 50 0 BDAARO CCCCC[C@H]([NH2+]CCC)[C@H](O)CO ZINC000002023247 168744698 /nfs/dbraw/zinc/74/46/98/168744698.db2.gz SBFBOWJLXWGTNQ-WDEREUQCSA-N 1 0 203.326 1.288 50 0 BDAARO [NH2+]=C(NC[C@H]1CCCO1)Nc1ccccc1 ZINC000052046966 181198532 /nfs/dbraw/zinc/19/85/32/181198532.db2.gz XLWRYLANVXTAGO-LLVKDONJSA-N 1 0 219.288 1.802 50 0 BDAARO CC1(C)CCC[C@H]1[NH2+]Cc1nccc(N)n1 ZINC000191844993 355855093 /nfs/dbraw/zinc/85/50/93/355855093.db2.gz XGAFJGILUXAXQP-SECBINFHSA-N 1 0 220.320 1.727 50 0 BDAARO NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000119008576 181236786 /nfs/dbraw/zinc/23/67/86/181236786.db2.gz VADYSSCVUIQVPV-ZIAGYGMSSA-N 1 0 246.354 1.863 50 0 BDAARO NC(=O)COc1ccc(C[NH2+]C2CCCC2)cc1 ZINC000005027770 181238441 /nfs/dbraw/zinc/23/84/41/181238441.db2.gz ZVNKGWNCIOHBLS-UHFFFAOYSA-N 1 0 248.326 1.583 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000048658855 181232560 /nfs/dbraw/zinc/23/25/60/181232560.db2.gz OQYXYPVJYMEFDY-LBPRGKRZSA-N 1 0 236.290 1.318 50 0 BDAARO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC000092589302 181243421 /nfs/dbraw/zinc/24/34/21/181243421.db2.gz PSJCKPRJSOJJKJ-NSHDSACASA-N 1 0 238.356 1.978 50 0 BDAARO COCCC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000052097617 356369990 /nfs/dbraw/zinc/36/99/90/356369990.db2.gz FCLSIIPQNBNWMH-CYBMUJFWSA-N 1 0 223.316 1.520 50 0 BDAARO C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])c1ccc(=O)[nH]c1C2 ZINC000009411213 356413450 /nfs/dbraw/zinc/41/34/50/356413450.db2.gz ZRJBHWIHUMBLCN-YQEJDHNASA-N 1 0 242.322 1.998 50 0 biogenic,world BDAARO Fc1ccc2c(c1)ncn2CCN1CC[NH2+]CC1 ZINC000618254340 356470036 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QYKZZFHFOJKDLU-UHFFFAOYSA-N 1 0 204.233 1.023 50 0 BDAARO [NH3+]CCNC(=O)CCCc1ccccc1 ZINC000020431041 181393735 /nfs/dbraw/zinc/39/37/35/181393735.db2.gz JOSBGRIJGCHKCB-UHFFFAOYSA-N 1 0 206.289 1.084 50 0 BDAARO O=C1O[C@H](c2ccccc2)CN1C1CC[NH2+]CC1 ZINC000167163092 368396110 /nfs/dbraw/zinc/39/61/10/368396110.db2.gz HKJOWCCIQUHNTQ-ZDUSSCGKSA-N 1 0 246.310 1.932 50 0 BDAARO Cc1cn2c3ccccc3nc2n1CCO ZINC000000255161 368524682 /nfs/dbraw/zinc/52/46/82/368524682.db2.gz FADQBGJPTBLWCW-UHFFFAOYSA-N 1 0 215.256 1.590 50 0 BDAARO Fc1ccc(OCC[NH2+]C[C@H]2CCCO2)cc1 ZINC000002295773 369047985 /nfs/dbraw/zinc/04/79/85/369047985.db2.gz VSLJXYWRWNUHAX-CYBMUJFWSA-N 1 0 239.290 1.973 50 0 BDAARO C[NH+]1CCC(N2CC(Oc3ccccc3)C2)CC1 ZINC000584891733 369038162 /nfs/dbraw/zinc/03/81/62/369038162.db2.gz LAQCUCOCCAAAED-UHFFFAOYSA-N 1 0 246.354 1.844 50 0 BDAARO Cc1nn(CC[NH2+][C@H]2CCCOC2)c(C)c1C ZINC000584898465 369045106 /nfs/dbraw/zinc/04/51/06/369045106.db2.gz DSZFMIJOIZGPJT-ZDUSSCGKSA-N 1 0 237.347 1.577 50 0 BDAARO [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000044541600 181457243 /nfs/dbraw/zinc/45/72/43/181457243.db2.gz IODCAZGGWIKBBA-GFCCVEGCSA-N 1 0 236.290 1.779 50 0 BDAARO [NH3+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000022215009 181485966 /nfs/dbraw/zinc/48/59/66/181485966.db2.gz ZZQBFHLZCABDRY-UHFFFAOYSA-N 1 0 206.167 1.481 50 0 BDAARO [NH3+]Cc1ccc(OC2CCOCC2)cc1 ZINC000012370473 181485516 /nfs/dbraw/zinc/48/55/16/181485516.db2.gz QPNQGXQLNABWSW-UHFFFAOYSA-N 1 0 207.273 1.703 50 0 BDAARO COC[C@@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000328628447 371132207 /nfs/dbraw/zinc/13/22/07/371132207.db2.gz HGUUBDMWIBRJHG-MNOVXSKESA-N 1 0 223.320 1.070 50 0 BDAARO [NH3+][C@@H](CCO)c1ccc(Br)cc1 ZINC000002527658 181545283 /nfs/dbraw/zinc/54/52/83/181545283.db2.gz XWXQMFXVRNFZOH-VIFPVBQESA-N 1 0 230.105 1.831 50 0 BDAARO [NH3+][C@@H]1COc2cccc(Br)c2C1 ZINC000082351152 181596207 /nfs/dbraw/zinc/59/62/07/181596207.db2.gz CITAWZRLKKMLNK-LURJTMIESA-N 1 0 228.089 1.711 50 0 BDAARO Cn1cc([C@H]2OCC[C@@H]2C[NH2+]CC2CC2)cn1 ZINC000095402031 371279687 /nfs/dbraw/zinc/27/96/87/371279687.db2.gz ATMXUXSTBKTZST-YPMHNXCESA-N 1 0 235.331 1.497 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000250588201 259547108 /nfs/dbraw/zinc/54/71/08/259547108.db2.gz IKTNEZKFSOMQJI-GARJFASQSA-N 1 0 240.347 1.981 50 0 BDAARO O=C(C1CC1)N1CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC000188701416 181861575 /nfs/dbraw/zinc/86/15/75/181861575.db2.gz XTDRLHHUTBNLIZ-UHFFFAOYSA-N 1 0 247.342 1.459 50 0 BDAARO O=C(Cc1ccsc1)NC1CC[NH2+]CC1 ZINC000036962388 182057251 /nfs/dbraw/zinc/05/72/51/182057251.db2.gz IBGZFJOUZHOMIO-UHFFFAOYSA-N 1 0 224.329 1.159 50 0 BDAARO Cc1oc2ncn(CC[NH+](C)C)c(=N)c2c1C ZINC000008990602 373111974 /nfs/dbraw/zinc/11/19/74/373111974.db2.gz DFASZFWABFBAAR-UHFFFAOYSA-N 1 0 234.303 1.287 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC000040480795 373304619 /nfs/dbraw/zinc/30/46/19/373304619.db2.gz QYHYHIKZCKMOBE-GFCCVEGCSA-N 1 0 233.315 1.296 50 0 BDAARO Cc1cc(C)cc(OCCN2CC[NH+](C)CC2)c1 ZINC000040465698 373281767 /nfs/dbraw/zinc/28/17/67/373281767.db2.gz VPAGCYFJORNABF-UHFFFAOYSA-N 1 0 248.370 1.930 50 0 BDAARO CCN1CCC[C@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000040502709 373360804 /nfs/dbraw/zinc/36/08/04/373360804.db2.gz QASRDVHKPMPVTB-LBPRGKRZSA-N 1 0 236.363 1.600 50 0 BDAARO O=C(NCCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000019412282 182204232 /nfs/dbraw/zinc/20/42/32/182204232.db2.gz VMZJWMLESLZMMJ-GFCCVEGCSA-N 1 0 218.300 1.097 50 0 BDAARO O=C(NCc1ccc(F)cc1)[C@@H]1CCC[NH2+]1 ZINC000011754386 182249769 /nfs/dbraw/zinc/24/97/69/182249769.db2.gz KGIPTYYJKKZVAG-NSHDSACASA-N 1 0 222.263 1.194 50 0 BDAARO C[N@@H+]1CCCC[C@H]1Cn1ccnc1-c1c[nH]cn1 ZINC000071404191 374267217 /nfs/dbraw/zinc/26/72/17/374267217.db2.gz PGVMQLQEPWVDPO-NSHDSACASA-N 1 0 245.330 1.758 50 0 BDAARO C[NH+]1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000042386363 374267392 /nfs/dbraw/zinc/26/73/92/374267392.db2.gz TWAHKEOFJIUNSC-UHFFFAOYSA-N 1 0 248.330 1.111 50 0 BDAARO CCCCc1nc(CNCCn2cccn2)no1 ZINC000071879182 374319992 /nfs/dbraw/zinc/31/99/92/374319992.db2.gz VWBZEIJANHMHLU-UHFFFAOYSA-N 1 0 249.318 1.399 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000298516909 182302476 /nfs/dbraw/zinc/30/24/76/182302476.db2.gz VLSCMGJANNLQQP-OLZOCXBDSA-N 1 0 245.326 1.438 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000036287123 182329834 /nfs/dbraw/zinc/32/98/34/182329834.db2.gz GPTIFNWADGFGIY-NSHDSACASA-N 1 0 244.294 1.915 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2ccc(O)cc2C1 ZINC000037823109 182617007 /nfs/dbraw/zinc/61/70/07/182617007.db2.gz KEANJZSYMOYLBE-ZDUSSCGKSA-N 1 0 246.310 1.029 50 0 BDAARO O=c1ccc2ccc(O[C@@H]3CCC[NH2+]C3)cc2o1 ZINC000014631806 183001305 /nfs/dbraw/zinc/00/13/05/183001305.db2.gz ZBGPCBWXZLBFHQ-GFCCVEGCSA-N 1 0 245.278 1.924 50 0 BDAARO OCC1CC[NH+](Cc2ccsc2)CC1 ZINC000050104787 183041603 /nfs/dbraw/zinc/04/16/03/183041603.db2.gz OSDZUHZXDXBTNC-UHFFFAOYSA-N 1 0 211.330 1.952 50 0 BDAARO OCC1(CCc2ccccc2)CC[NH2+]CC1 ZINC000067587034 183035830 /nfs/dbraw/zinc/03/58/30/183035830.db2.gz JKJOYNLKHSGEAY-UHFFFAOYSA-N 1 0 219.328 1.981 50 0 BDAARO OCCOCC[NH2+]Cc1ccc(Cl)cc1 ZINC000006495143 183083931 /nfs/dbraw/zinc/08/39/31/183083931.db2.gz PZOMOFXVOFDMST-UHFFFAOYSA-N 1 0 229.707 1.439 50 0 BDAARO OCCOc1ccc(C[NH2+]Cc2ccco2)cc1 ZINC000013731083 183087941 /nfs/dbraw/zinc/08/79/41/183087941.db2.gz PCPWYXWXOPBGJO-UHFFFAOYSA-N 1 0 247.294 1.941 50 0 BDAARO OC[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000038120796 183114071 /nfs/dbraw/zinc/11/40/71/183114071.db2.gz HWLRKTCRHHWKCQ-LBPRGKRZSA-N 1 0 240.734 1.279 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000037619446 169007888 /nfs/dbraw/zinc/00/78/88/169007888.db2.gz XMVAHBOQEJEPLZ-PWSUYJOCSA-N 1 0 235.331 1.776 50 0 BDAARO OC[C@@H]1C[NH2+]C[C@H]1c1cc(F)ccc1F ZINC000034927136 183127570 /nfs/dbraw/zinc/12/75/70/183127570.db2.gz VWUALDZGFPMIST-OIBJUYFYSA-N 1 0 213.227 1.260 50 0 BDAARO OCc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000040711143 183166151 /nfs/dbraw/zinc/16/61/51/183166151.db2.gz APAPDJYRHNWGSB-UHFFFAOYSA-N 1 0 207.273 1.310 50 0 BDAARO CCC[N@H+](C)CC(=O)NCc1ccco1 ZINC000047706296 169072237 /nfs/dbraw/zinc/07/22/37/169072237.db2.gz YYPSZXATXJFING-UHFFFAOYSA-N 1 0 210.277 1.238 50 0 BDAARO O[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000040460799 183191376 /nfs/dbraw/zinc/19/13/76/183191376.db2.gz QZLMTRMXZQKYHD-GFCCVEGCSA-N 1 0 221.300 1.522 50 0 BDAARO O[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000000200502 183193346 /nfs/dbraw/zinc/19/33/46/183193346.db2.gz AYJFLNCWHDQEIU-LLVKDONJSA-N 1 0 235.283 1.372 50 0 BDAARO O[C@H](C[NH2+]CCc1ccccn1)C(F)(F)F ZINC000004053433 183224213 /nfs/dbraw/zinc/22/42/13/183224213.db2.gz PIILXKJHIKQKAF-SECBINFHSA-N 1 0 234.221 1.137 50 0 BDAARO O[C@H]1C[NH2+][C@H](c2nc(-c3ccccc3)no2)C1 ZINC000015674134 183245704 /nfs/dbraw/zinc/24/57/04/183245704.db2.gz VXDKTVTUFGBYQL-ZJUUUORDSA-N 1 0 231.255 1.132 50 0 biogenic,in-vitro BDAARO O[C@@H]1[C@@H](C[NH+]2CCCCC2)[C@@H]2CC[C@H]1C2 ZINC000004786692 183248919 /nfs/dbraw/zinc/24/89/19/183248919.db2.gz RJEAJPVKZCYCBQ-VOAKCMCISA-N 1 0 209.333 1.879 50 0 BDAARO O[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000301005775 183233365 /nfs/dbraw/zinc/23/33/65/183233365.db2.gz WRHCUZHHCMEMTA-UWVGGRQHSA-N 1 0 219.275 1.879 50 0 BDAARO O[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000023282327 183234571 /nfs/dbraw/zinc/23/45/71/183234571.db2.gz HBTFDMIGXUNMLN-AWEZNQCLSA-N 1 0 217.312 1.611 50 0 BDAARO CCCN(C[C@H]1CCCCO1)C(=O)CC[NH3+] ZINC000158927157 169173976 /nfs/dbraw/zinc/17/39/76/169173976.db2.gz AOWWHHGPNUIQMZ-LLVKDONJSA-N 1 0 228.336 1.143 50 0 BDAARO CCC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000016603085 169188209 /nfs/dbraw/zinc/18/82/09/169188209.db2.gz UVZZKMZTOXRVGN-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO c1cc(-c2noc(C3CC[NH2+]CC3)n2)ccn1 ZINC000012955119 183331663 /nfs/dbraw/zinc/33/16/63/183331663.db2.gz OAAGDVLVOKMRCQ-UHFFFAOYSA-N 1 0 230.271 1.599 50 0 BDAARO c1cc2nccc(C3CC[NH2+]CC3)n2n1 ZINC000082381594 183337205 /nfs/dbraw/zinc/33/72/05/183337205.db2.gz MZDRPLOUIWPIOY-UHFFFAOYSA-N 1 0 202.261 1.196 50 0 BDAARO CCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC ZINC000047851587 169211989 /nfs/dbraw/zinc/21/19/89/169211989.db2.gz XSBDXKDGYCEIEQ-ZDUSSCGKSA-N 1 0 232.327 1.569 50 0 BDAARO c1cn(Cc2ccncc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000096032250 183355903 /nfs/dbraw/zinc/35/59/03/183355903.db2.gz ZEXLGDDSLHGKHY-CYBMUJFWSA-N 1 0 242.326 1.793 50 0 BDAARO c1cn(Cc2ccncc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000096032251 183355960 /nfs/dbraw/zinc/35/59/60/183355960.db2.gz ZEXLGDDSLHGKHY-ZDUSSCGKSA-N 1 0 242.326 1.793 50 0 BDAARO c1c(C[n+]2ccccc2)nc2ccccn12 ZINC000012523646 183378044 /nfs/dbraw/zinc/37/80/44/183378044.db2.gz ACUPMTLJBHBZIJ-UHFFFAOYSA-N 1 0 210.260 1.670 50 0 BDAARO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000229225498 169241617 /nfs/dbraw/zinc/24/16/17/169241617.db2.gz LTDFOLRWEVUWFZ-GHMZBOCLSA-N 1 0 212.337 1.633 50 0 BDAARO c1ccc(-c2n[nH]c(C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000089717407 183382405 /nfs/dbraw/zinc/38/24/05/183382405.db2.gz BUALELCNKQLAHU-JTQLQIEISA-N 1 0 228.299 1.624 50 0 BDAARO CCCNC(=O)c1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000019507679 169252446 /nfs/dbraw/zinc/25/24/46/169252446.db2.gz PHESPTHFVZWBSP-VIFPVBQESA-N 1 0 249.314 1.112 50 0 BDAARO CCCOCCOCC[C@H]1CCC[NH2+]C1 ZINC000042772125 169310185 /nfs/dbraw/zinc/31/01/85/169310185.db2.gz CXWMLNBBOBVDJV-GFCCVEGCSA-N 1 0 215.337 1.819 50 0 BDAARO c1nnc([C@@H]2CCC[NH2+]C2)n1Cc1ccccc1 ZINC000066323529 183413917 /nfs/dbraw/zinc/41/39/17/183413917.db2.gz RRPXSQBSDYMACQ-CYBMUJFWSA-N 1 0 242.326 1.793 50 0 BDAARO c1cnc(NCCC[NH2+][C@H]2CCSC2)nc1 ZINC000095423649 183481528 /nfs/dbraw/zinc/48/15/28/183481528.db2.gz KSKLNRLSFSGRLE-JTQLQIEISA-N 1 0 238.360 1.374 50 0 BDAARO c1cnnc(N2CCC[C@@H]2C[NH2+]C2CCCC2)c1 ZINC000069843220 183503855 /nfs/dbraw/zinc/50/38/55/183503855.db2.gz QTDBGSLSUGHMRN-CYBMUJFWSA-N 1 0 246.358 1.978 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2[NH3+])C1 ZINC000076644079 166653012 /nfs/dbraw/zinc/65/30/12/166653012.db2.gz CWXFYOHHOPHYMT-GZMMTYOYSA-N 1 0 212.293 1.345 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(CC[C@@H]2[NH3+])C1 ZINC000091304816 166655119 /nfs/dbraw/zinc/65/51/19/166655119.db2.gz ARDLFRHCGVVGHP-JOYOIKCWSA-N 1 0 226.320 1.735 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH3+])[C@@H]2C1 ZINC000057219106 166657318 /nfs/dbraw/zinc/65/73/18/166657318.db2.gz IIZSRECJUBGQCE-YIZRAAEISA-N 1 0 212.293 1.201 50 0 BDAARO Brc1cncc(N2CC[NH2+]CC2)c1 ZINC000026898972 532978277 /nfs/dbraw/zinc/97/82/77/532978277.db2.gz ACYRDEABHZRABW-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO C[NH+](C)CCc1c[nH]c2ccc(O)cc12 ZINC000000001070 383818017 /nfs/dbraw/zinc/81/80/17/383818017.db2.gz VTTONGPRPXSUTJ-UHFFFAOYSA-N 1 0 204.273 1.978 50 0 endogenous,in-man BDAARO Cc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000000296739 383850296 /nfs/dbraw/zinc/85/02/96/383850296.db2.gz MJXGIIVJTPVZCW-GFCCVEGCSA-N 1 0 223.316 1.733 50 0 BDAARO CCC(=O)N1CC([N@@H+](CC)C2CCOCC2)C1 ZINC000257180380 383851326 /nfs/dbraw/zinc/85/13/26/383851326.db2.gz KRPFMZQPKSUNDI-UHFFFAOYSA-N 1 0 240.347 1.108 50 0 BDAARO C[NH+](C)C[C@H]1CCC[C@@H](C[NH+](C)C)C1=O ZINC000000393559 383861143 /nfs/dbraw/zinc/86/11/43/383861143.db2.gz WFFCWXMFKGCIGF-PHIMTYICSA-N 1 0 212.337 1.095 50 0 in-vitro BDAARO O=CN1CCc2scc[n+]2-c2ccccc21 ZINC000000384202 383861337 /nfs/dbraw/zinc/86/13/37/383861337.db2.gz VQYRZZSYTUTGOW-UHFFFAOYSA-N 1 0 231.300 1.544 50 0 BDAARO C[C@H](NC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000035690901 383869506 /nfs/dbraw/zinc/86/95/06/383869506.db2.gz XTHRRRMGYZFWKR-VHSXEESVSA-N 1 0 227.352 1.472 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(CC)Cc1ccccc1 ZINC000036871542 383916777 /nfs/dbraw/zinc/91/67/77/383916777.db2.gz RHQLEROLIAZCET-GFCCVEGCSA-N 1 0 220.316 1.772 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(Cc1ccccc1)C1CC1 ZINC000036871807 383918161 /nfs/dbraw/zinc/91/81/61/383918161.db2.gz LUQMHLXUBRTTJU-ZDUSSCGKSA-N 1 0 232.327 1.915 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000158403404 383923640 /nfs/dbraw/zinc/92/36/40/383923640.db2.gz QYRKYICMJUBENM-YBJDMEARSA-N 1 0 248.301 1.789 50 0 BDAARO CC(C)CCCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000067603850 383929304 /nfs/dbraw/zinc/92/93/04/383929304.db2.gz AYMKAVYTEGIADH-GFCCVEGCSA-N 1 0 226.364 1.881 50 0 BDAARO O=C(/C=C/c1ccccc1)N1CC[NH2+]CC1 ZINC000001720098 383932020 /nfs/dbraw/zinc/93/20/20/383932020.db2.gz DLCYXQODDJUHQL-VOTSOKGWSA-N 1 0 216.284 1.132 50 0 BDAARO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccccn1 ZINC000071882476 383888365 /nfs/dbraw/zinc/88/83/65/383888365.db2.gz SGUIJIAHGTZWGH-LBPRGKRZSA-N 1 0 234.347 1.129 50 0 BDAARO CC[C@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000034994757 383889173 /nfs/dbraw/zinc/88/91/73/383889173.db2.gz AJXNCCRPVSQURY-KGLIPLIRSA-N 1 0 219.328 1.904 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000050228694 383983001 /nfs/dbraw/zinc/98/30/01/383983001.db2.gz VUNHNOCMQHYTNC-NSHDSACASA-N 1 0 218.300 1.477 50 0 BDAARO COc1ccc(CCC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000050228680 383983322 /nfs/dbraw/zinc/98/33/22/383983322.db2.gz PHLIIMXREKJTIA-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000050246135 383985149 /nfs/dbraw/zinc/98/51/49/383985149.db2.gz FYSVXAGGHJLUJP-QMMMGPOBSA-N 1 0 240.253 1.386 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000050246311 383986957 /nfs/dbraw/zinc/98/69/57/383986957.db2.gz NMAYFYRCYMHFPD-QMMMGPOBSA-N 1 0 240.253 1.386 50 0 BDAARO CCOc1ccccc1CCNC(N)=[NH2+] ZINC000071510521 383996982 /nfs/dbraw/zinc/99/69/82/383996982.db2.gz ADTPYPTYTWEKKT-UHFFFAOYSA-N 1 0 207.277 1.111 50 0 BDAARO C[NH+](C)CCCC(=O)c1ccc2c(c1)OCO2 ZINC000000296936 384018560 /nfs/dbraw/zinc/01/85/60/384018560.db2.gz LCVZRRUMVAGXTN-UHFFFAOYSA-N 1 0 235.283 1.940 50 0 biogenic BDAARO c1ccn2c(c1)nnc2[C@@H]1CCC[NH2+]C1 ZINC000004219063 384048122 /nfs/dbraw/zinc/04/81/22/384048122.db2.gz ZWXUXOSRVISZHS-SECBINFHSA-N 1 0 202.261 1.196 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004030969 384035247 /nfs/dbraw/zinc/03/52/47/384035247.db2.gz ADEAKWCDCFOHJJ-SECBINFHSA-N 1 0 223.272 1.540 50 0 BDAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000069725161 384056898 /nfs/dbraw/zinc/05/68/98/384056898.db2.gz BVXLJWNAGBHENA-ZJUUUORDSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@@H]([NH3+])c1cccc(N2CCOC2=O)c1 ZINC000038343283 384080978 /nfs/dbraw/zinc/08/09/78/384080978.db2.gz XPEMBCIMCWZGKT-MRVPVSSYSA-N 1 0 206.245 1.663 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000255330376 384081136 /nfs/dbraw/zinc/08/11/36/384081136.db2.gz ICPIWSLVADDXNP-GEXIGZQTSA-N 1 0 244.338 1.815 50 0 BDAARO CCc1cc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)on1 ZINC000091645306 384136512 /nfs/dbraw/zinc/13/65/12/384136512.db2.gz XEMSPDBELPZRLK-OLZOCXBDSA-N 1 0 235.331 1.406 50 0 BDAARO c1ccc(CN2CC[C@@]23CC[NH2+]C3)cc1 ZINC000091361797 384121426 /nfs/dbraw/zinc/12/14/26/384121426.db2.gz HVFOGWYVURWQFX-CYBMUJFWSA-N 1 0 202.301 1.624 50 0 BDAARO CC(C)[C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1[NH+](C)C ZINC000091416506 384126275 /nfs/dbraw/zinc/12/62/75/384126275.db2.gz AWSHEFSKVDDVCD-YPMHNXCESA-N 1 0 249.358 1.673 50 0 BDAARO CCC[C@H]1CN(c2ncnc3c2CCC3)C[C@@H]1[NH3+] ZINC000091526481 384130423 /nfs/dbraw/zinc/13/04/23/384130423.db2.gz BRAGPPUHOMAHLN-JQWIXIFHSA-N 1 0 246.358 1.529 50 0 BDAARO C[N@H+](CCN1CCOC1=O)C[C@H]1CC=CCC1 ZINC000092043902 384144708 /nfs/dbraw/zinc/14/47/08/384144708.db2.gz MPJHCFCZNMXZPL-LBPRGKRZSA-N 1 0 238.331 1.727 50 0 BDAARO Nc1nc2nc3ccc(Cl)cc3c-2[nH][nH+]1 ZINC000006658312 384159517 /nfs/dbraw/zinc/15/95/17/384159517.db2.gz CMVHXTZYWWTDEG-UHFFFAOYSA-N 1 0 219.635 1.742 50 0 BDAARO C[NH+](C)C[C@H](O)Cn1cc(C=O)c2ccccc21 ZINC000006678104 384162845 /nfs/dbraw/zinc/16/28/45/384162845.db2.gz HKIBIKPQJCRKLF-LBPRGKRZSA-N 1 0 246.310 1.376 50 0 BDAARO [NH3+]CCc1cn(Cc2ccc(F)cc2)cn1 ZINC000071521209 384167973 /nfs/dbraw/zinc/16/79/73/384167973.db2.gz GYVUZCNJWMNYBH-UHFFFAOYSA-N 1 0 219.263 1.572 50 0 BDAARO CC1(C)CC(N2CCOCC2)CC(C)(C)[NH2+]1 ZINC000004888386 384189061 /nfs/dbraw/zinc/18/90/61/384189061.db2.gz FWJOQNJBRSHMEO-UHFFFAOYSA-N 1 0 226.364 1.628 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2ccc(C)o2)C1 ZINC000255397675 384189690 /nfs/dbraw/zinc/18/96/90/384189690.db2.gz ICEPEKKWQKUPMN-FJOGCWAESA-N 1 0 248.326 1.669 50 0 BDAARO CC(C)(C)OC(=O)N1CCC12CC[NH2+]CC2 ZINC000072194362 384199812 /nfs/dbraw/zinc/19/98/12/384199812.db2.gz YQZFKXWWUMMHAH-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO Nc1nc([C@H]2CCC[NH2+]2)cc(C(F)(F)F)n1 ZINC000072343665 384208553 /nfs/dbraw/zinc/20/85/53/384208553.db2.gz SVTJUBVUWZZTMG-RXMQYKEDSA-N 1 0 232.209 1.502 50 0 BDAARO [NH3+]Cc1ccc(NC(=O)c2ccco2)cc1 ZINC000008981560 384229370 /nfs/dbraw/zinc/22/93/70/384229370.db2.gz RLFLJYXBVLZDGC-UHFFFAOYSA-N 1 0 216.240 1.991 50 0 BDAARO c1cncc(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000042773373 384243233 /nfs/dbraw/zinc/24/32/33/384243233.db2.gz AAIAFIIMKRQXSV-LLVKDONJSA-N 1 0 206.289 1.850 50 0 BDAARO O=C1OCCN1c1cccc2c1CC[NH2+]C2 ZINC000043373345 384271340 /nfs/dbraw/zinc/27/13/40/384271340.db2.gz GEEDIKXYZLKGCK-UHFFFAOYSA-N 1 0 218.256 1.289 50 0 BDAARO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000012299273 384309156 /nfs/dbraw/zinc/30/91/56/384309156.db2.gz JGGXYSGOTQHFTC-NQADCFBISA-N 1 0 236.359 1.897 50 0 BDAARO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000158058631 384309451 /nfs/dbraw/zinc/30/94/51/384309451.db2.gz ORYFOXLVSFKUEC-XVKPBYJWSA-N 1 0 236.319 1.037 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)c2ccco2)c1 ZINC000012481401 384322995 /nfs/dbraw/zinc/32/29/95/384322995.db2.gz YFHUTGIMZXHIFQ-UHFFFAOYSA-N 1 0 216.240 1.991 50 0 BDAARO C[NH+](C)CCCOc1cccc(CO)c1 ZINC000012370622 384314771 /nfs/dbraw/zinc/31/47/71/384314771.db2.gz BABQTNDHVRVEJD-UHFFFAOYSA-N 1 0 209.289 1.509 50 0 BDAARO CCC1(C(=O)N2CCC([NH3+])CC2)CCC1 ZINC000097019369 384282745 /nfs/dbraw/zinc/28/27/45/384282745.db2.gz NAYVLANIOGJFJS-UHFFFAOYSA-N 1 0 210.321 1.516 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000299739625 384284009 /nfs/dbraw/zinc/28/40/09/384284009.db2.gz QQEHSWQIBKMLQZ-QCNOEVLYSA-N 1 0 240.347 1.140 50 0 BDAARO Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000335461476 384288551 /nfs/dbraw/zinc/28/85/51/384288551.db2.gz JVFVQWVLAHBIPG-VHSXEESVSA-N 1 0 211.284 1.709 50 0 BDAARO COC(=O)[C@H](C)OC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525732 384290849 /nfs/dbraw/zinc/29/08/49/384290849.db2.gz YOPZTBPPVNCQKQ-UWVGGRQHSA-N 1 0 245.319 1.102 50 0 BDAARO [NH3+]C[C@H]1CN(c2ccc(F)cc2)C(=O)O1 ZINC000011920032 384300995 /nfs/dbraw/zinc/30/09/95/384300995.db2.gz JURKKEXQAAFGFT-VIFPVBQESA-N 1 0 210.208 1.110 50 0 BDAARO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000011967510 384303622 /nfs/dbraw/zinc/30/36/22/384303622.db2.gz YMIXVHSVINSUPQ-NSHDSACASA-N 1 0 239.340 1.460 50 0 BDAARO Cc1cc(C)n(CCC[NH2+]Cc2ncc[nH]2)n1 ZINC000134294027 384346065 /nfs/dbraw/zinc/34/60/65/384346065.db2.gz SJHVXJHOIYKRPD-UHFFFAOYSA-N 1 0 233.319 1.403 50 0 BDAARO Cc1ccc(OCC(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000237694464 384346987 /nfs/dbraw/zinc/34/69/87/384346987.db2.gz ROFIITZFFRROCB-LBPRGKRZSA-N 1 0 248.326 1.242 50 0 BDAARO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H]1CCCO1 ZINC000032578166 384323193 /nfs/dbraw/zinc/32/31/93/384323193.db2.gz QLQIHNRFTACRLZ-QWHCGFSZSA-N 1 0 226.364 1.437 50 0 BDAARO FC(F)(F)c1cccc(N2CCC[NH2+]CC2)n1 ZINC000044270822 384323676 /nfs/dbraw/zinc/32/36/76/384323676.db2.gz YZUPEZJNMWYCOZ-UHFFFAOYSA-N 1 0 245.248 1.900 50 0 BDAARO [NH3+]CCc1ccc(OC2CCCC2)nc1 ZINC000044397914 384331174 /nfs/dbraw/zinc/33/11/74/384331174.db2.gz PXGGCUZYPXZABT-UHFFFAOYSA-N 1 0 206.289 1.904 50 0 BDAARO C[NH+](C)CCCOc1ccc(F)cc1N ZINC000014629841 384397055 /nfs/dbraw/zinc/39/70/55/384397055.db2.gz DQFDKSRVEHSTBM-UHFFFAOYSA-N 1 0 212.268 1.738 50 0 BDAARO COC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000014631692 384399150 /nfs/dbraw/zinc/39/91/50/384399150.db2.gz BHIOYRICHYKEPK-GFCCVEGCSA-N 1 0 235.283 1.604 50 0 BDAARO CC(=O)NCc1ccc([C@@H]2CCC[NH2+]2)o1 ZINC000095829683 384400110 /nfs/dbraw/zinc/40/01/10/384400110.db2.gz FITDSXOCNDKUDE-JTQLQIEISA-N 1 0 208.261 1.340 50 0 BDAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000095845685 384403402 /nfs/dbraw/zinc/40/34/02/384403402.db2.gz KLQYKJMMAPSQCP-DGCLKSJQSA-N 1 0 233.311 1.928 50 0 BDAARO CC(C)CS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000095908578 384407628 /nfs/dbraw/zinc/40/76/28/384407628.db2.gz ORGCIHXUSMCNTG-UHFFFAOYSA-N 1 0 233.377 1.447 50 0 BDAARO COC(=O)[C@H]1C[N@H+](C)CC=C1c1ccccc1 ZINC000095918262 384407922 /nfs/dbraw/zinc/40/79/22/384407922.db2.gz MSFKXRUBTLYUEN-ZDUSSCGKSA-N 1 0 231.295 1.805 50 0 BDAARO C[C@H](NCC[NH3+])c1cccc(F)c1F ZINC000235504688 384423504 /nfs/dbraw/zinc/42/35/04/384423504.db2.gz ZLBNPZORIFTPMG-ZETCQYMHSA-N 1 0 200.232 1.574 50 0 BDAARO CC[C@@H](CNC(C)=O)[N@@H+]1CCc2ccccc2C1 ZINC000046246615 384424422 /nfs/dbraw/zinc/42/44/22/384424422.db2.gz FEPNANOOIDOAJL-HNNXBMFYSA-N 1 0 246.354 1.959 50 0 BDAARO CC(C)Oc1cc(N2CC[NH+](C)CC2)ccc1N ZINC000095495795 384377699 /nfs/dbraw/zinc/37/76/99/384377699.db2.gz IRGBROWUJHZCIN-UHFFFAOYSA-N 1 0 249.358 1.808 50 0 BDAARO c1ccc2c(c1)C[C@@H](C[NH+]1CCOCC1)CCO2 ZINC000095497986 384379772 /nfs/dbraw/zinc/37/97/72/384379772.db2.gz UBXKXFKYQXMAPX-ZDUSSCGKSA-N 1 0 247.338 1.960 50 0 BDAARO Cc1c[nH]c(CN(C)C(=O)Nc2cnn(C)c2)n1 ZINC000095524104 384381513 /nfs/dbraw/zinc/38/15/13/384381513.db2.gz VJKBIVKJKVJBRW-UHFFFAOYSA-N 1 0 248.290 1.116 50 0 BDAARO O=C(OCc1ccccc1)N1CCCC12C[NH2+]C2 ZINC000095616483 384382685 /nfs/dbraw/zinc/38/26/85/384382685.db2.gz AESURKCEBCHDOL-UHFFFAOYSA-N 1 0 246.310 1.761 50 0 BDAARO COC[C@@H](O)C[NH2+][C@@H](C)Cc1ccccc1C ZINC000097228423 384449981 /nfs/dbraw/zinc/44/99/81/384449981.db2.gz FZZQYQMZAAONDL-JSGCOSHPSA-N 1 0 237.343 1.523 50 0 BDAARO [NH3+]C1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC000096516851 384463937 /nfs/dbraw/zinc/46/39/37/384463937.db2.gz ITOLHNGQPYSZJE-UHFFFAOYSA-N 1 0 246.236 1.423 50 0 BDAARO C[NH+](C)CCCN/C=C1/c2ccccc2NC1=O ZINC000017837610 384491731 /nfs/dbraw/zinc/49/17/31/384491731.db2.gz BPGFHRADEBCJJX-BENRWUELSA-N 1 0 245.326 1.521 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000019266187 384512309 /nfs/dbraw/zinc/51/23/09/384512309.db2.gz MKTUOSLPEQAJKR-VIFPVBQESA-N 1 0 249.232 1.695 50 0 BDAARO [NH3+]Cc1cccc(C(=O)N2CCCC2)c1 ZINC000019722438 384535934 /nfs/dbraw/zinc/53/59/34/384535934.db2.gz OLYWWGPMQIRDOP-UHFFFAOYSA-N 1 0 204.273 1.381 50 0 BDAARO Cc1cc(C)cc(C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000019388404 384518066 /nfs/dbraw/zinc/51/80/66/384518066.db2.gz VSVMYSRXFPBWJH-ZDUSSCGKSA-N 1 0 232.327 1.785 50 0 BDAARO [NH3+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000019387605 384519964 /nfs/dbraw/zinc/51/99/64/384519964.db2.gz SGRCWVFWIACJAV-GFCCVEGCSA-N 1 0 234.299 1.054 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000019479671 384524479 /nfs/dbraw/zinc/52/44/79/384524479.db2.gz KPNFBSUXROXSCA-SNVBAGLBSA-N 1 0 210.252 1.748 50 0 BDAARO CCn1cncc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252921928 384525132 /nfs/dbraw/zinc/52/51/32/384525132.db2.gz HUQAJFZYBIBIJL-CHWSQXEVSA-N 1 0 237.347 1.638 50 0 BDAARO Cc1noc(C)c1C[N@@H+]1CCCC[C@H]1CO ZINC000019607765 384529241 /nfs/dbraw/zinc/52/92/41/384529241.db2.gz IZQZPZPUVIZOJH-NSHDSACASA-N 1 0 224.304 1.638 50 0 BDAARO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000019840614 384546762 /nfs/dbraw/zinc/54/67/62/384546762.db2.gz HOLFKYFPAJFTQK-NXEZZACHSA-N 1 0 228.336 1.899 50 0 BDAARO C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O ZINC000049647563 384552907 /nfs/dbraw/zinc/55/29/07/384552907.db2.gz ODKNMKPCCBAERN-LLVKDONJSA-N 1 0 204.273 1.007 50 0 BDAARO CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000067412831 384569298 /nfs/dbraw/zinc/56/92/98/384569298.db2.gz AKOFIUIWCSTBIF-LBPRGKRZSA-N 1 0 212.337 1.491 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000100050846 384612899 /nfs/dbraw/zinc/61/28/99/384612899.db2.gz UUHPKKKRSZBQIG-MYJAWHEDSA-N 1 0 226.320 1.794 50 0 BDAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1nccn1C ZINC000095448833 384618363 /nfs/dbraw/zinc/61/83/63/384618363.db2.gz XFLLQRMVUJIIJC-QWRGUYRKSA-N 1 0 249.314 1.615 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](c2ccccc2)C1 ZINC000050600055 384635350 /nfs/dbraw/zinc/63/53/50/384635350.db2.gz XUIPDWXBFAAFNG-KBPBESRZSA-N 1 0 244.338 1.755 50 0 BDAARO CC[C@@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000124440349 384643423 /nfs/dbraw/zinc/64/34/23/384643423.db2.gz YXSLDPCPVLJKBW-JTQLQIEISA-N 1 0 207.277 1.360 50 0 BDAARO CC(=O)N[C@H]1CC=C([NH+]2CCCC2)CC1 ZINC000100801553 384654103 /nfs/dbraw/zinc/65/41/03/384654103.db2.gz WSVGFFKZSAQHCC-NSHDSACASA-N 1 0 208.305 1.655 50 0 BDAARO [NH3+]CCOc1ncc(Cl)cc1Cl ZINC000051870247 384697724 /nfs/dbraw/zinc/69/77/24/384697724.db2.gz ZYYJUJGQHIDEOM-UHFFFAOYSA-N 1 0 207.060 1.726 50 0 BDAARO O=C1C[C@H]2C[C@@H](O)[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000142811845 384707681 /nfs/dbraw/zinc/70/76/81/384707681.db2.gz MFGHIESVTDVOSV-IACUBPJLSA-N 1 0 231.295 1.353 50 0 BDAARO [NH3+]CCc1nc(Cc2cccs2)no1 ZINC000052899576 384752478 /nfs/dbraw/zinc/75/24/78/384752478.db2.gz GNJLZRUGFJIVMT-UHFFFAOYSA-N 1 0 209.274 1.223 50 0 BDAARO CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1(C)C ZINC000085381283 384768830 /nfs/dbraw/zinc/76/88/30/384768830.db2.gz BIRWEGLMFVJYDE-WDEREUQCSA-N 1 0 242.363 1.304 50 0 BDAARO O=C1OC2(CC[NH2+]CC2)c2c1cccc2F ZINC000114485764 384786421 /nfs/dbraw/zinc/78/64/21/384786421.db2.gz OLQAFVWZUZWVCI-UHFFFAOYSA-N 1 0 221.231 1.575 50 0 BDAARO CC[C@](C)(CCO)[NH2+]Cc1cnn(C)c1C ZINC000126293459 384788696 /nfs/dbraw/zinc/78/86/96/384788696.db2.gz ZNRJNFKABOFHCF-GFCCVEGCSA-N 1 0 225.336 1.369 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2cccnc2C)c1 ZINC000069897366 384814853 /nfs/dbraw/zinc/81/48/53/384814853.db2.gz YAVIVZQWTZFQBK-UHFFFAOYSA-N 1 0 230.315 1.685 50 0 BDAARO COc1cccc(N2C(=O)CNC[C@H]2C)c1 ZINC000084492883 384872953 /nfs/dbraw/zinc/87/29/53/384872953.db2.gz FOXMDTAHWFWJSK-SECBINFHSA-N 1 0 220.272 1.020 50 0 BDAARO O=[n+]1c2ccccc2n(O)c2c1CCCC2 ZINC000103826091 384879506 /nfs/dbraw/zinc/87/95/06/384879506.db2.gz IZFRHKVMYDNDJS-UHFFFAOYSA-N 1 0 217.248 1.672 50 0 BDAARO CC(C)(C)OC(=O)[C@@H](N)Cc1ccccc1 ZINC000055343131 384879723 /nfs/dbraw/zinc/87/97/23/384879723.db2.gz QOISWWBTZMFUEL-NSHDSACASA-N 1 0 221.300 1.898 50 0 BDAARO CCN(CCC[NH3+])C(=O)OC(C)(C)C ZINC000025336459 384846182 /nfs/dbraw/zinc/84/61/82/384846182.db2.gz XTXALSUCHITFRO-UHFFFAOYSA-N 1 0 202.298 1.592 50 0 BDAARO [NH3+][C@H](Cc1c[nH]cn1)Cc1ccccc1 ZINC000054788510 384853721 /nfs/dbraw/zinc/85/37/21/384853721.db2.gz GSKOLHDIRSAPQQ-NSHDSACASA-N 1 0 201.273 1.522 50 0 BDAARO Cn1cncc1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000119176035 384865852 /nfs/dbraw/zinc/86/58/52/384865852.db2.gz UHJBVRMHLARELY-KGLIPLIRSA-N 1 0 243.310 1.168 50 0 BDAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cnn(C)c1 ZINC000105447499 384868368 /nfs/dbraw/zinc/86/83/68/384868368.db2.gz QNXVRGRHRGLTNH-NSHDSACASA-N 1 0 245.326 1.847 50 0 BDAARO O=C1OCC[C@@H]1N1CCc2sccc2C1 ZINC000028174225 384930820 /nfs/dbraw/zinc/93/08/20/384930820.db2.gz GUZXYDWVRNSTCG-VIFPVBQESA-N 1 0 223.297 1.422 50 0 BDAARO COc1ccccc1C[C@@H](C)[NH2+]CCN(C)C ZINC000022455716 384996215 /nfs/dbraw/zinc/99/62/15/384996215.db2.gz XNEYBSOUVRTVLD-GFCCVEGCSA-N 1 0 236.359 1.777 50 0 BDAARO CC[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226737538 385047664 /nfs/dbraw/zinc/04/76/64/385047664.db2.gz ZPHNRRSHARBPKX-QJPTWQEYSA-N 1 0 240.347 1.141 50 0 BDAARO [NH3+]Cc1ccc(COCC(F)(F)F)nc1 ZINC000087223591 385086839 /nfs/dbraw/zinc/08/68/39/385086839.db2.gz OOMPGXQSDGHMQN-UHFFFAOYSA-N 1 0 220.194 1.619 50 0 BDAARO COC(=O)[C@H](C[NH3+])Cc1cc(F)c(F)c(F)c1 ZINC000062706070 385183360 /nfs/dbraw/zinc/18/33/60/385183360.db2.gz FZQBFZQBXQAESY-ZETCQYMHSA-N 1 0 247.216 1.394 50 0 BDAARO COc1cc(OC)cc([C@@H]2CC[NH2+]C2)c1 ZINC000034319031 385279867 /nfs/dbraw/zinc/27/98/67/385279867.db2.gz HAJKRJTVGSUQQF-SECBINFHSA-N 1 0 207.273 1.781 50 0 BDAARO C[NH+](C)C1CCN(c2ncccc2C=O)CC1 ZINC000169725588 385418836 /nfs/dbraw/zinc/41/88/36/385418836.db2.gz CIXWFECKMFVVJN-UHFFFAOYSA-N 1 0 233.315 1.425 50 0 BDAARO CCN(C(=O)CC[NH3+])c1ccc(F)cc1 ZINC000020262447 385455645 /nfs/dbraw/zinc/45/56/45/385455645.db2.gz JNRNCFBXZIXRQS-UHFFFAOYSA-N 1 0 210.252 1.527 50 0 BDAARO CCCn1c[n+](Cc2ccccc2C)cn1 ZINC000252478820 385652112 /nfs/dbraw/zinc/65/21/12/385652112.db2.gz AVNQXDWGTIEKNM-UHFFFAOYSA-N 1 0 216.308 1.937 50 0 BDAARO Cc1c[nH+]c(C2CC2)n1CCNC(=O)C(C)C ZINC000257191164 385706699 /nfs/dbraw/zinc/70/66/99/385706699.db2.gz PENLDAYRPLATIQ-UHFFFAOYSA-N 1 0 235.331 1.841 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CCC[NH2+]CC2)c1 ZINC000041298002 385801545 /nfs/dbraw/zinc/80/15/45/385801545.db2.gz ZLUFKHYFWYWDBD-UHFFFAOYSA-N 1 0 246.354 1.668 50 0 BDAARO Cc1cncc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261835994 385829983 /nfs/dbraw/zinc/82/99/83/385829983.db2.gz QFMWUMJCCPGARN-LBPRGKRZSA-N 1 0 249.314 1.082 50 0 BDAARO COC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000215142546 385837243 /nfs/dbraw/zinc/83/72/43/385837243.db2.gz XTWSWWULBDEOAK-LBPRGKRZSA-N 1 0 249.310 1.884 50 0 BDAARO COC[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000215142500 385837429 /nfs/dbraw/zinc/83/74/29/385837429.db2.gz XTWSWWULBDEOAK-GFCCVEGCSA-N 1 0 249.310 1.884 50 0 BDAARO Cc1cnccc1CN1CCO[C@H](CF)C1 ZINC000334858453 385851747 /nfs/dbraw/zinc/85/17/47/385851747.db2.gz AHFPMDRDAQTUBH-GFCCVEGCSA-N 1 0 224.279 1.560 50 0 BDAARO CCSCC[C@H](C)N(C)C(=O)[C@H](C)[NH3+] ZINC000121643271 385859754 /nfs/dbraw/zinc/85/97/54/385859754.db2.gz MCLMRJIDUQYFBT-IUCAKERBSA-N 1 0 218.366 1.324 50 0 BDAARO Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000335060274 386023023 /nfs/dbraw/zinc/02/30/23/386023023.db2.gz DMURCFUUFMQFOT-WCBMZHEXSA-N 1 0 223.251 1.029 50 0 BDAARO Cc1n[nH]cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000223931415 386111050 /nfs/dbraw/zinc/11/10/50/386111050.db2.gz DOAGEVJWXYLRKG-STQMWFEESA-N 1 0 234.347 1.435 50 0 BDAARO CCO[C@H]1C[N@H+](CCCc2ccco2)C[C@@H]1O ZINC000222969692 386073498 /nfs/dbraw/zinc/07/34/98/386073498.db2.gz XGRBBUNMZHPCAI-STQMWFEESA-N 1 0 239.315 1.294 50 0 BDAARO c1ccc(C[C@@H]2C[N@@H+]3CCC[C@H]3CN2)cc1 ZINC000039957307 386158414 /nfs/dbraw/zinc/15/84/14/386158414.db2.gz FMZYVYGAYTZOHQ-KGLIPLIRSA-N 1 0 216.328 1.665 50 0 BDAARO CCOCC[N@@H+]1CC[C@@H](OC(C)=O)[C@@H](C)C1 ZINC000001873442 386288953 /nfs/dbraw/zinc/28/89/53/386288953.db2.gz MHUCZGOYYLQXQM-CMPLNLGQSA-N 1 0 229.320 1.296 50 0 BDAARO CC(C)(C)OC(=O)NC(C)(C)C1C[NH2+]C1 ZINC000238119828 386444457 /nfs/dbraw/zinc/44/44/57/386444457.db2.gz OJURJDDXYFRCBQ-UHFFFAOYSA-N 1 0 214.309 1.509 50 0 BDAARO CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@@H](C)O1 ZINC000237040041 386397941 /nfs/dbraw/zinc/39/79/41/386397941.db2.gz ZJKDRENIGAOQQI-WOPDTQHZSA-N 1 0 242.363 1.386 50 0 BDAARO Cc1n[nH]c(C)c1CC[N@H+](C)CCn1cccn1 ZINC000299781342 386490529 /nfs/dbraw/zinc/49/05/29/386490529.db2.gz WSILSBAAKWMLIR-UHFFFAOYSA-N 1 0 247.346 1.398 50 0 BDAARO CSCCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000340629612 386540622 /nfs/dbraw/zinc/54/06/22/386540622.db2.gz GYTHOOVZEXJHGO-UHFFFAOYSA-N 1 0 244.404 1.730 50 0 BDAARO CCC[C@H](C)[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000241961260 386544975 /nfs/dbraw/zinc/54/49/75/386544975.db2.gz UQRQOBJXQARBAA-DCAQKATOSA-N 1 0 229.320 1.173 50 0 BDAARO COC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000051952578 386548459 /nfs/dbraw/zinc/54/84/59/386548459.db2.gz NKGPFPCZUQEXIM-NSHDSACASA-N 1 0 240.347 1.108 50 0 BDAARO C[N@@H+]1CC[C@H](CC(=O)NCCc2ccccn2)C1 ZINC000585120937 386672962 /nfs/dbraw/zinc/67/29/62/386672962.db2.gz YKMSVZHZSFINMN-GFCCVEGCSA-N 1 0 247.342 1.082 50 0 BDAARO CO[C@H](C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000088058874 386735157 /nfs/dbraw/zinc/73/51/57/386735157.db2.gz SLDHIJNCYFZXOV-YPMHNXCESA-N 1 0 248.326 1.194 50 0 BDAARO FC[C@@H]1C[N@@H+](C2CCCC2)CCCO1 ZINC000334638477 386776876 /nfs/dbraw/zinc/77/68/76/386776876.db2.gz YPXADPFBBYDUBD-LLVKDONJSA-N 1 0 201.285 1.989 50 0 BDAARO C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C)c1ccncc1 ZINC000125844753 386915732 /nfs/dbraw/zinc/91/57/32/386915732.db2.gz IABJXTKUVPOELP-RYUDHWBXSA-N 1 0 247.342 1.396 50 0 BDAARO C[N@H+](CCO)CCC(=O)c1ccccc1 ZINC000053931707 387094246 /nfs/dbraw/zinc/09/42/46/387094246.db2.gz XYESNGRZFYDEPP-UHFFFAOYSA-N 1 0 207.273 1.184 50 0 BDAARO CC[NH+](CC)CCCN1CCO[C@@H](C)[C@@H]1C ZINC000191808957 387143230 /nfs/dbraw/zinc/14/32/30/387143230.db2.gz BJXFTPPTFODYIE-STQMWFEESA-N 1 0 228.380 1.828 50 0 BDAARO Cc1cncc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000088451657 387189664 /nfs/dbraw/zinc/18/96/64/387189664.db2.gz SVXRDWYDYFGPLD-AAEUAGOBSA-N 1 0 247.342 1.732 50 0 BDAARO CC(C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792139 387266088 /nfs/dbraw/zinc/26/60/88/387266088.db2.gz MDALMXIVFNUJPO-NSHDSACASA-N 1 0 224.348 1.538 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000089534579 387276099 /nfs/dbraw/zinc/27/60/99/387276099.db2.gz BPVUKGIBFPJYQF-NSHDSACASA-N 1 0 245.330 1.582 50 0 BDAARO CC[NH+](CC)CCOc1cc(C)nn2cnnc12 ZINC000575603728 387376696 /nfs/dbraw/zinc/37/66/96/387376696.db2.gz JCOFPBHCVSUWTM-UHFFFAOYSA-N 1 0 249.318 1.153 50 0 BDAARO CSCC[C@@H]([NH3+])C(=O)N1CCCSCC1 ZINC000077568247 387450411 /nfs/dbraw/zinc/45/04/11/387450411.db2.gz DERHAHCKEFRAKF-SECBINFHSA-N 1 0 248.417 1.032 50 0 BDAARO Cc1c(C)[n+](=O)c2c(n1O)CCCCC2 ZINC000103955733 387467085 /nfs/dbraw/zinc/46/70/85/387467085.db2.gz FWYAORYPMABZAK-UHFFFAOYSA-N 1 0 209.269 1.526 50 0 BDAARO CC/C=C(/C)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000132971340 387477243 /nfs/dbraw/zinc/47/72/43/387477243.db2.gz VAJJIVLAFMLAOW-SDKXAQGSSA-N 1 0 210.321 1.553 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CC1(C)C ZINC000426511691 387576807 /nfs/dbraw/zinc/57/68/07/387576807.db2.gz NYSULZLLPVPZLJ-NSHDSACASA-N 1 0 247.342 1.386 50 0 BDAARO c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]3C[C@H]31)CC2 ZINC000376758872 387667345 /nfs/dbraw/zinc/66/73/45/387667345.db2.gz RVMXZYYYDUIPDQ-IRCOFANPSA-N 1 0 232.331 1.371 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)c2cccc(F)c2F)C1 ZINC000054212078 387684118 /nfs/dbraw/zinc/68/41/18/387684118.db2.gz LEIIYIIKWFQEFO-ZETCQYMHSA-N 1 0 226.226 1.138 50 0 BDAARO CCCCC[C@@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000055158112 387832519 /nfs/dbraw/zinc/83/25/19/387832519.db2.gz YCUZPMGVUVYLFU-VXGBXAGGSA-N 1 0 242.388 1.830 50 0 biogenic BDAARO Nc1nc(C2CC[NH2+]CC2)cc(C(F)(F)F)n1 ZINC000242495300 387937641 /nfs/dbraw/zinc/93/76/41/387937641.db2.gz FZQILMQXIZSOOM-UHFFFAOYSA-N 1 0 246.236 1.545 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CCc1ccco1 ZINC000036864854 387964351 /nfs/dbraw/zinc/96/43/51/387964351.db2.gz OIPUPNVOGKBHGL-UHFFFAOYSA-N 1 0 219.288 1.952 50 0 BDAARO CO[C@@H]1C[N@H+](Cc2cncnc2)CC[C@H]1C ZINC000249160679 388055973 /nfs/dbraw/zinc/05/59/73/388055973.db2.gz JDULLGWROWRSSQ-ZYHUDNBSSA-N 1 0 221.304 1.333 50 0 BDAARO CCC([NH3+])(CC)c1nc2c(c(=O)[nH]1)CCCC2 ZINC000071396877 388092023 /nfs/dbraw/zinc/09/20/23/388092023.db2.gz XBIDYXRLZXCADN-UHFFFAOYSA-N 1 0 235.331 1.623 50 0 BDAARO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H]1CO ZINC000170089046 388257998 /nfs/dbraw/zinc/25/79/98/388257998.db2.gz PZDCKUDBFOASJL-SNVBAGLBSA-N 1 0 229.320 1.032 50 0 BDAARO CSCC[C@H](C)[N@H+](C)C[C@H](O)CSC ZINC000170601161 388241616 /nfs/dbraw/zinc/24/16/16/388241616.db2.gz SUZYDANAZUAQSX-UWVGGRQHSA-N 1 0 237.434 1.784 50 0 BDAARO CC(C)n1nnnc1C[NH2+][C@@H]1CCCC1(C)C ZINC000170607218 388245370 /nfs/dbraw/zinc/24/53/70/388245370.db2.gz ZHIPOFQCTBDQSF-SNVBAGLBSA-N 1 0 237.351 1.922 50 0 BDAARO Cc1nsc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000089721444 388363732 /nfs/dbraw/zinc/36/37/32/388363732.db2.gz LCQJZTOZBSFLBE-VHSXEESVSA-N 1 0 238.360 1.885 50 0 BDAARO CC[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)C(N)=O ZINC000132688572 388367036 /nfs/dbraw/zinc/36/70/36/388367036.db2.gz MNZGELBQXQRQMZ-RKDXNWHRSA-N 1 0 228.336 1.186 50 0 BDAARO C[C@@H](CNC(=O)Nc1cn[nH]c1)[NH+]1CCCC1 ZINC000089901143 388371492 /nfs/dbraw/zinc/37/14/92/388371492.db2.gz CRCQXNGIELGGQU-VIFPVBQESA-N 1 0 237.307 1.016 50 0 BDAARO CCSC[C@H](C)[N@H+](C)C[C@@H](O)CC ZINC000089943310 388374641 /nfs/dbraw/zinc/37/46/41/388374641.db2.gz KSADNWKUXKVQRM-UWVGGRQHSA-N 1 0 205.367 1.831 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC[C@H]2CCC[C@@H](C)[C@@H]21 ZINC000195542314 388480409 /nfs/dbraw/zinc/48/04/09/388480409.db2.gz BGLHZGJZCRWPCM-KXNHARMFSA-N 1 0 224.348 1.761 50 0 BDAARO CCCC[N@H+](C)CC(=O)Nc1cccnc1 ZINC000071799452 388446658 /nfs/dbraw/zinc/44/66/58/388446658.db2.gz QJKWLROLUIRANQ-UHFFFAOYSA-N 1 0 221.304 1.752 50 0 BDAARO CC(C)=CCN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000071864365 388447132 /nfs/dbraw/zinc/44/71/32/388447132.db2.gz YOMFEJFAWPOBNE-QWHCGFSZSA-N 1 0 226.364 1.340 50 0 BDAARO CC(C)[NH+]1CCN(c2nccs2)CC1 ZINC000069347611 388414482 /nfs/dbraw/zinc/41/44/82/388414482.db2.gz ULDXVQMSPYTYKB-UHFFFAOYSA-N 1 0 211.334 1.674 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CCCCO1)[C@H](C)n1cccn1 ZINC000069818183 388427252 /nfs/dbraw/zinc/42/72/52/388427252.db2.gz BSMBSVRSKVHRJM-AVGNSLFASA-N 1 0 237.347 1.991 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+][C@H](CCO)C(C)C)o1 ZINC000195563996 388487953 /nfs/dbraw/zinc/48/79/53/388487953.db2.gz WGADTWHVHVKMRK-PSASIEDQSA-N 1 0 227.308 1.436 50 0 BDAARO CC(C)(C)[C@@H]([NH2+]C[C@@H]1CC=CCC1)C(N)=O ZINC000195573573 388494432 /nfs/dbraw/zinc/49/44/32/388494432.db2.gz WPRRWLBDEZOFOW-MNOVXSKESA-N 1 0 224.348 1.832 50 0 BDAARO CC[C@H](O)C[N@@H+]1CCCC[C@H](COC)C1 ZINC000253397670 388589754 /nfs/dbraw/zinc/58/97/54/388589754.db2.gz LCSHZTZWSHPGAN-RYUDHWBXSA-N 1 0 215.337 1.506 50 0 BDAARO CC[C@H](O)C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000253397661 388590224 /nfs/dbraw/zinc/59/02/24/388590224.db2.gz LCSHZTZWSHPGAN-NEPJUHHUSA-N 1 0 215.337 1.506 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccsc3)C[C@H]12 ZINC000225461398 388594308 /nfs/dbraw/zinc/59/43/08/388594308.db2.gz NYPKXPQXBNXWNH-DVVUODLYSA-N 1 0 236.340 1.557 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000236595744 388595696 /nfs/dbraw/zinc/59/56/96/388595696.db2.gz OXXKMSIXHJCMDG-VIFPVBQESA-N 1 0 230.377 1.244 50 0 BDAARO Cn1cncc1CNCC[NH+]1CCCCCC1 ZINC000112340121 388667083 /nfs/dbraw/zinc/66/70/83/388667083.db2.gz RKCVSVAMADISQK-UHFFFAOYSA-N 1 0 236.363 1.386 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCCF ZINC000408525677 388643686 /nfs/dbraw/zinc/64/36/86/388643686.db2.gz QUOSWHYZMZTIPI-JTQLQIEISA-N 1 0 219.300 1.900 50 0 BDAARO O=C1NCC[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000064034254 388664333 /nfs/dbraw/zinc/66/43/33/388664333.db2.gz RUXGTEQSWKODCG-HNNXBMFYSA-N 1 0 244.338 1.789 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCOC1 ZINC000328617037 388738815 /nfs/dbraw/zinc/73/88/15/388738815.db2.gz CICZAYZNESYQIY-GRYCIOLGSA-N 1 0 213.321 1.426 50 0 BDAARO CC[C@H](C)C[NH+]1CCN(c2cccnn2)CC1 ZINC000095964871 388793960 /nfs/dbraw/zinc/79/39/60/388793960.db2.gz OOTIWUVNQJEEGS-LBPRGKRZSA-N 1 0 234.347 1.645 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC000095956855 388794477 /nfs/dbraw/zinc/79/44/77/388794477.db2.gz VJFXBJZDKRYRJF-MRVPVSSYSA-N 1 0 208.261 1.376 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000096005936 388801412 /nfs/dbraw/zinc/80/14/12/388801412.db2.gz JGCUQQWTFCIAMA-VHSXEESVSA-N 1 0 213.321 1.964 50 0 BDAARO CC(C)CCOC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000193116939 388761434 /nfs/dbraw/zinc/76/14/34/388761434.db2.gz LSJSIUPYSWYSGA-NSHDSACASA-N 1 0 242.363 1.387 50 0 BDAARO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)C(C)(C)C ZINC000095423590 388769485 /nfs/dbraw/zinc/76/94/85/388769485.db2.gz ITYMLTJRXBBFHW-SECBINFHSA-N 1 0 235.393 1.834 50 0 BDAARO C[C@]1(CO)CCC[N@H+](CCc2ccncc2)C1 ZINC000095434307 388771898 /nfs/dbraw/zinc/77/18/98/388771898.db2.gz DZBLJZAMFUFRDY-AWEZNQCLSA-N 1 0 234.343 1.719 50 0 BDAARO CC[C@@H](COC)[NH2+]Cc1csc(N(C)C)n1 ZINC000096478979 388819810 /nfs/dbraw/zinc/81/98/10/388819810.db2.gz PJPOPMYATALDPF-VIFPVBQESA-N 1 0 243.376 1.724 50 0 BDAARO C[C@H](O)c1ccccc1N1CC[NH+](C)CC1 ZINC000035650417 132338753 /nfs/dbraw/zinc/33/87/53/132338753.db2.gz JTKYBOZDZPRTSB-NSHDSACASA-N 1 0 220.316 1.492 50 0 BDAARO CCc1cc2c(ncnc2N2CC[NH2+]CC2)s1 ZINC000019951847 132329104 /nfs/dbraw/zinc/32/91/04/132329104.db2.gz AECCBYQXQCLDTD-UHFFFAOYSA-N 1 0 248.355 1.663 50 0 BDAARO Cc1cccc(N2CCN(C(N)=[NH2+])CC2)c1C ZINC000020857271 132332068 /nfs/dbraw/zinc/33/20/68/132332068.db2.gz GZLHOFNHCLMAKI-UHFFFAOYSA-N 1 0 232.331 1.319 50 0 BDAARO CC(C)Oc1cccnc1N1CC[NH2+]CC1 ZINC000026423198 132333730 /nfs/dbraw/zinc/33/37/30/132333730.db2.gz YZIAFUDRRZZAGQ-UHFFFAOYSA-N 1 0 221.304 1.278 50 0 BDAARO CC(C)(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000032089894 132335329 /nfs/dbraw/zinc/33/53/29/132335329.db2.gz DNYVHSKQNIPIGZ-UHFFFAOYSA-N 1 0 234.343 1.580 50 0 BDAARO C[NH+](C)C1CCN(c2ccc(N)nc2)CC1 ZINC000036191157 132340713 /nfs/dbraw/zinc/34/07/13/132340713.db2.gz YWYMTHVANRCKHF-UHFFFAOYSA-N 1 0 220.320 1.194 50 0 BDAARO CN(C)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000036335623 132342170 /nfs/dbraw/zinc/34/21/70/132342170.db2.gz MBTHFXJTWHGKRD-UHFFFAOYSA-N 1 0 219.332 1.680 50 0 BDAARO CC[N@@H+]1CCN(c2cc(Cl)ncn2)C[C@H]1C ZINC000250253735 132457676 /nfs/dbraw/zinc/45/76/76/132457676.db2.gz IUGCGTHWIPOSIF-SECBINFHSA-N 1 0 240.738 1.660 50 0 BDAARO [NH3+][C@H]1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)C1 ZINC000335392374 136091362 /nfs/dbraw/zinc/09/13/62/136091362.db2.gz LKVAONZEQZWARH-KZCWHLCOSA-N 1 0 226.226 1.641 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2ccncc2)c1 ZINC000075605645 398130842 /nfs/dbraw/zinc/13/08/42/398130842.db2.gz SIKNDNTZBPXEAE-GFCCVEGCSA-N 1 0 230.315 1.765 50 0 BDAARO CC(C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000020036919 167009679 /nfs/dbraw/zinc/00/96/79/167009679.db2.gz MALKZZJSKAKSBR-UHFFFAOYSA-N 1 0 206.289 1.531 50 0 BDAARO CC(C)NC(=O)C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000042123272 167050303 /nfs/dbraw/zinc/05/03/03/167050303.db2.gz WJJTZRISDSICRT-SNVBAGLBSA-N 1 0 224.348 1.774 50 0 BDAARO C[C@@H](O)C[NH2+]Cc1c(F)cccc1Cl ZINC000005912724 175981621 /nfs/dbraw/zinc/98/16/21/175981621.db2.gz GWIHCXHNSNSJKI-SSDOTTSWSA-N 1 0 217.671 1.950 50 0 BDAARO Cc1cc(N2CC[N@@H+](C)C(C)(C)C2)nc(C)n1 ZINC000585092254 487577462 /nfs/dbraw/zinc/57/74/62/487577462.db2.gz LYYJQWAHCANETF-UHFFFAOYSA-N 1 0 234.347 1.624 50 0 BDAARO CC(C)OCC[NH2+][C@H](C)Cn1cccn1 ZINC000042269757 167243597 /nfs/dbraw/zinc/24/35/97/167243597.db2.gz VBFWMDMITPLPCA-LLVKDONJSA-N 1 0 211.309 1.286 50 0 BDAARO FCCCN1CCC[N@H+](CCCF)CC1 ZINC000119404627 409864988 /nfs/dbraw/zinc/86/49/88/409864988.db2.gz PDWSGJAQRLXKBB-UHFFFAOYSA-N 1 0 220.307 1.713 50 0 BDAARO Brc1ccc(OC2C[NH2+]C2)cn1 ZINC000091692828 166097656 /nfs/dbraw/zinc/09/76/56/166097656.db2.gz GWOLQNDRROKIBR-UHFFFAOYSA-N 1 0 229.077 1.195 50 0 BDAARO Brc1ccc(C[NH2+]C2COC2)cc1 ZINC000076686640 166098449 /nfs/dbraw/zinc/09/84/49/166098449.db2.gz ALRNEVWIFUXHFI-UHFFFAOYSA-N 1 0 242.116 1.938 50 0 BDAARO CCN(CC)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000085959643 169754205 /nfs/dbraw/zinc/75/42/05/169754205.db2.gz MXSWRWPOQWDTMD-JTQLQIEISA-N 1 0 215.341 1.411 50 0 BDAARO CC(C)(C)C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000069628572 166590279 /nfs/dbraw/zinc/59/02/79/166590279.db2.gz AXGWLMAVYNIQNM-GFCCVEGCSA-N 1 0 226.364 1.485 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000082092312 166665933 /nfs/dbraw/zinc/66/59/33/166665933.db2.gz XMYGQAXKEOMNDO-OUAUKWLOSA-N 1 0 240.347 1.899 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@]12CC[NH2+]C2 ZINC000095743187 166667645 /nfs/dbraw/zinc/66/76/45/166667645.db2.gz WRSIZFQACIWVCA-BXKDBHETSA-N 1 0 226.320 1.653 50 0 BDAARO CC(C)NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000032652054 167054238 /nfs/dbraw/zinc/05/42/38/167054238.db2.gz MEIFIRYMCCHMPB-PHIMTYICSA-N 1 0 212.337 1.489 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000000056646 167110513 /nfs/dbraw/zinc/11/05/13/167110513.db2.gz JZQKKSLKJUAGIC-LLVKDONJSA-N 1 0 248.326 1.906 50 0 fda BDAARO CC(C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000035224393 167131522 /nfs/dbraw/zinc/13/15/22/167131522.db2.gz NJRJEGISIOZWMV-VIFPVBQESA-N 1 0 204.277 1.788 50 0 BDAARO CC[NH+](CC)CCNc1ccc(SC)nn1 ZINC000095428374 169781911 /nfs/dbraw/zinc/78/19/11/169781911.db2.gz WXKSSOTVODADNB-UHFFFAOYSA-N 1 0 240.376 1.952 50 0 BDAARO CC(C)OCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000097103540 167246292 /nfs/dbraw/zinc/24/62/92/167246292.db2.gz GMRBZZGAGXJJME-QWRGUYRKSA-N 1 0 228.336 1.045 50 0 BDAARO OC[C@@H]1CCCN1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000108111355 411142583 /nfs/dbraw/zinc/14/25/83/411142583.db2.gz CMYSWGZBOWGVBG-KBPBESRZSA-N 1 0 238.375 1.318 50 0 BDAARO CC1=C(Cl)C(=O)O[C@@]1(C)C[NH+](C)C ZINC000000085686 168087773 /nfs/dbraw/zinc/08/77/73/168087773.db2.gz GVZNWFBCWCSSKC-VIFPVBQESA-N 1 0 203.669 1.376 50 0 BDAARO CC[N@@H+]1CC[C@@H](OC(=O)c2ccc(N)cc2)C1 ZINC000071773743 170014554 /nfs/dbraw/zinc/01/45/54/170014554.db2.gz OITDXBVMPSPZRF-GFCCVEGCSA-N 1 0 234.299 1.520 50 0 BDAARO CC[N@@H+]1CC[C@H](N(C)c2ncccn2)[C@H](C)C1 ZINC000078332764 170017904 /nfs/dbraw/zinc/01/79/04/170017904.db2.gz BGNHZYLVDSQUNJ-NEPJUHHUSA-N 1 0 234.347 1.643 50 0 BDAARO CCOC(=O)C[C@H](C[NH3+])c1ccccc1 ZINC000001853566 170233188 /nfs/dbraw/zinc/23/31/88/170233188.db2.gz ADSZNFBIRHALJL-LLVKDONJSA-N 1 0 207.273 1.682 50 0 BDAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000022591537 170257990 /nfs/dbraw/zinc/25/79/90/170257990.db2.gz GVLBDFVUSANMGP-CYBMUJFWSA-N 1 0 248.326 1.857 50 0 BDAARO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000103525779 170260360 /nfs/dbraw/zinc/26/03/60/170260360.db2.gz YUKFHBYDDJRSIY-WDNDVIMCSA-N 1 0 245.322 1.928 50 0 BDAARO CCOC(=O)[C@]1(Cc2cccnc2)CCC[NH2+]C1 ZINC000015020768 170286152 /nfs/dbraw/zinc/28/61/52/170286152.db2.gz TZWRROFYPCCRQC-AWEZNQCLSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)c1c(N)sc2c1CC[NH2+]C2 ZINC000003614256 170289189 /nfs/dbraw/zinc/28/91/89/170289189.db2.gz PVISNLMZGPDDEI-UHFFFAOYSA-N 1 0 226.301 1.153 50 0 BDAARO CCOC(C[N@@H+]1CC[C@H](C)[C@@H](O)C1)OCC ZINC000221862699 170316144 /nfs/dbraw/zinc/31/61/44/170316144.db2.gz KROHTBUACNHGNK-QWRGUYRKSA-N 1 0 231.336 1.088 50 0 BDAARO CCOCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000122239269 170343511 /nfs/dbraw/zinc/34/35/11/170343511.db2.gz CVQFZLOGKGAQDX-UHFFFAOYSA-N 1 0 242.363 1.452 50 0 BDAARO CCOCC[N@H+](C)CCCc1cncn1C ZINC000328599267 170388182 /nfs/dbraw/zinc/38/81/82/170388182.db2.gz RDAGNAWVYYUYKW-UHFFFAOYSA-N 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CCc1oc(C(=O)N[C@H]2CCC[NH2+]C2)cc1C ZINC000195542729 172111772 /nfs/dbraw/zinc/11/17/72/172111772.db2.gz JJGNFZOPRUBSKG-JTQLQIEISA-N 1 0 236.315 1.632 50 0 BDAARO CCn1cc(C[NH2+]C[C@H](O)c2ccco2)cn1 ZINC000096446406 172172216 /nfs/dbraw/zinc/17/22/16/172172216.db2.gz FUVKZQLNVQMNOU-NSHDSACASA-N 1 0 235.287 1.319 50 0 BDAARO CN(C(=O)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000062112029 172334012 /nfs/dbraw/zinc/33/40/12/172334012.db2.gz VZIWWLIHHFDZEO-JTQLQIEISA-N 1 0 204.273 1.259 50 0 BDAARO CN(C)C(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686733 172391844 /nfs/dbraw/zinc/39/18/44/172391844.db2.gz HEQBZDATXQNXGS-SNVBAGLBSA-N 1 0 233.315 1.250 50 0 BDAARO C[NH+](C)C(C)(C)CNC(=O)c1cccnc1 ZINC000040459800 172395042 /nfs/dbraw/zinc/39/50/42/172395042.db2.gz DXYIJQGKBBFHEE-UHFFFAOYSA-N 1 0 221.304 1.152 50 0 BDAARO C[NH+]1CCC(NC(=O)Cc2cccs2)CC1 ZINC000016605065 172991432 /nfs/dbraw/zinc/99/14/32/172991432.db2.gz JPWULQSJJXFXGU-UHFFFAOYSA-N 1 0 238.356 1.501 50 0 BDAARO 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CN1C[C@@H]([NH2+]C[C@H]2CC=CCC2)CC1=O ZINC000098020654 173187431 /nfs/dbraw/zinc/18/74/31/173187431.db2.gz JJYRASANHGWQGQ-QWRGUYRKSA-N 1 0 208.305 1.163 50 0 BDAARO CNC(=O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000071915934 173268918 /nfs/dbraw/zinc/26/89/18/173268918.db2.gz CPLPHPVDADSSOB-LBPRGKRZSA-N 1 0 234.343 1.604 50 0 BDAARO CNC(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015261661 173270218 /nfs/dbraw/zinc/27/02/18/173270218.db2.gz VIXGBSFOSDWJKQ-CYBMUJFWSA-N 1 0 232.327 1.742 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000025358755 173273801 /nfs/dbraw/zinc/27/38/01/173273801.db2.gz KLCMVGFCKDYMJP-ZDUSSCGKSA-N 1 0 232.327 1.440 50 0 BDAARO CNC(=O)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000040057007 173285862 /nfs/dbraw/zinc/28/58/62/173285862.db2.gz JFFKUCZETSRCDN-UHFFFAOYSA-N 1 0 241.335 1.097 50 0 BDAARO C[NH2+]C1CCC2(CC1)OCC(C)(C)CO2 ZINC000000403293 173321706 /nfs/dbraw/zinc/32/17/06/173321706.db2.gz AGIWCGXGVSTDQF-UHFFFAOYSA-N 1 0 213.321 1.918 50 0 in-vitro BDAARO C[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000087651017 173321834 /nfs/dbraw/zinc/32/18/34/173321834.db2.gz MCNDOUJOQHVZFB-UHFFFAOYSA-N 1 0 200.282 1.262 50 0 BDAARO C[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000169804465 173324273 /nfs/dbraw/zinc/32/42/73/173324273.db2.gz YKLRQIQMOPHXKS-UHFFFAOYSA-N 1 0 220.272 1.227 50 0 BDAARO C[NH2+]CCCC(=O)N(C)c1ccccc1 ZINC000037477484 173343128 /nfs/dbraw/zinc/34/31/28/173343128.db2.gz ODWMQEGMNAZLIG-UHFFFAOYSA-N 1 0 206.289 1.649 50 0 BDAARO C[NH2+]CCc1noc(-c2ccc(C)cc2)n1 ZINC000034928803 173361797 /nfs/dbraw/zinc/36/17/97/173361797.db2.gz KPYWJZMQIRYZDS-UHFFFAOYSA-N 1 0 217.272 1.807 50 0 BDAARO C[NH2+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(C)o1 ZINC000237117379 173367679 /nfs/dbraw/zinc/36/76/79/173367679.db2.gz USFWSXOAXGYDDQ-GUOLPTJISA-N 1 0 248.326 1.812 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000040594648 173367691 /nfs/dbraw/zinc/36/76/91/173367691.db2.gz CREXMXBFGGYFSI-QMMMGPOBSA-N 1 0 238.253 1.397 50 0 BDAARO C[NH2+]C[C@@]1(C)CCCN1C(=O)OC(C)(C)C 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/nfs/dbraw/zinc/46/35/36/173463536.db2.gz BMVYHZMGLCYGGO-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000020579365 173701315 /nfs/dbraw/zinc/70/13/15/173701315.db2.gz PCJCLTWTQHCCRS-SECBINFHSA-N 1 0 211.236 1.116 50 0 BDAARO COCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000069563207 174306776 /nfs/dbraw/zinc/30/67/76/174306776.db2.gz ISTQNAXFSPFMMG-CQSZACIVSA-N 1 0 240.391 1.973 50 0 BDAARO COCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000059386462 174306982 /nfs/dbraw/zinc/30/69/82/174306982.db2.gz LYVXELGWMRBECD-GFCCVEGCSA-N 1 0 212.337 1.193 50 0 BDAARO COCCN1[C@H](C)C[N@@H+](CCSC)C[C@@H]1C ZINC000095434255 174318157 /nfs/dbraw/zinc/31/81/57/174318157.db2.gz IJJGMTKXUGXNEA-TXEJJXNPSA-N 1 0 246.420 1.390 50 0 BDAARO COCC[NH2+]CCOc1ccccc1F ZINC000002597467 174333261 /nfs/dbraw/zinc/33/32/61/174333261.db2.gz PHUFVPYAHWQJKV-UHFFFAOYSA-N 1 0 213.252 1.441 50 0 BDAARO COCc1nccc([C@H]2CCC[NH2+]C2)n1 ZINC000047843759 174644705 /nfs/dbraw/zinc/64/47/05/174644705.db2.gz 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/nfs/dbraw/zinc/12/35/80/972123580.db2.gz MMLJEZNHESPADZ-SECBINFHSA-N 1 0 230.377 1.325 50 0 BDAARO C/C(=C\C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1F ZINC000585086616 972123638 /nfs/dbraw/zinc/12/36/38/972123638.db2.gz FHMNXXQNHIWCAC-RJCSOLBVSA-N 1 0 248.301 1.789 50 0 BDAARO C[NH2+]CCOc1cccc(-c2cncnc2)c1 ZINC000032565395 965523882 /nfs/dbraw/zinc/52/38/82/965523882.db2.gz PJPZQIOQTWYJHB-UHFFFAOYSA-N 1 0 229.283 1.742 50 0 BDAARO c1cc(OC2CC[NH+]([C@H]3CCOC3)CC2)ccn1 ZINC000820430506 968471990 /nfs/dbraw/zinc/47/19/90/968471990.db2.gz VYHCNQVZVFKDMA-LBPRGKRZSA-N 1 0 248.326 1.714 50 0 BDAARO CC(C)(O)[C@@H]1CC[N@H+](CC2(C)CCOCC2)C1 ZINC000822307011 968512711 /nfs/dbraw/zinc/51/27/11/968512711.db2.gz IEGLHFSYARVKFZ-GFCCVEGCSA-N 1 0 241.375 1.896 50 0 BDAARO CC(C)n1cnnc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000822280861 968513099 /nfs/dbraw/zinc/51/30/99/968513099.db2.gz ABDVEVGEBDWKOG-SNVBAGLBSA-N 1 0 238.335 1.689 50 0 BDAARO Cc1ccc([C@H](C)NC(=O)C[NH+](C)C)cn1 ZINC000823676250 968556509 /nfs/dbraw/zinc/55/65/09/968556509.db2.gz JXTAGKRXYVKWHI-JTQLQIEISA-N 1 0 221.304 1.129 50 0 BDAARO C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCSCC1 ZINC000823778648 968560008 /nfs/dbraw/zinc/56/00/08/968560008.db2.gz OHFQDSFKIYQYLI-LLVKDONJSA-N 1 0 242.388 1.436 50 0 BDAARO c1csc(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000585652032 973917836 /nfs/dbraw/zinc/91/78/36/973917836.db2.gz UWTQOLOLPFXQGO-SECBINFHSA-N 1 0 210.302 1.616 50 0 BDAARO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)nn1 ZINC000585651599 973920552 /nfs/dbraw/zinc/92/05/52/973920552.db2.gz FPTXOPALOXWAOR-UHFFFAOYSA-N 1 0 235.331 1.905 50 0 BDAARO CC[N@H+](C)[C@@H](C)CC(=O)NCCc1ccccn1 ZINC000952869759 974048973 /nfs/dbraw/zinc/04/89/73/974048973.db2.gz ZVYPOYAYRBNYLO-LBPRGKRZSA-N 1 0 249.358 1.471 50 0 BDAARO Cc1cnc(CN2CC[NH2+]CC2)c(C)c1Cl ZINC000083134557 985753443 /nfs/dbraw/zinc/75/34/43/985753443.db2.gz SXCHCTCUHVDLLC-UHFFFAOYSA-N 1 0 239.750 1.757 50 0 BDAARO C[C@@H](c1ccncn1)N(C)Cc1cnn(C)c1 ZINC001506401513 988774332 /nfs/dbraw/zinc/77/43/32/988774332.db2.gz SIHXPRBMCOZKCM-JTQLQIEISA-N 1 0 231.303 1.403 50 0 BDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCc2c[nH]cn2)n1 ZINC001506428478 988786848 /nfs/dbraw/zinc/78/68/48/988786848.db2.gz XKUXGORTYNMUPC-LLVKDONJSA-N 1 0 247.346 1.444 50 0 BDAARO Nc1nc(CCC[NH2+]C[C@@H]2CCOC2)cs1 ZINC001506430195 988787138 /nfs/dbraw/zinc/78/71/38/988787138.db2.gz YLBQURUJDPSLKM-VIFPVBQESA-N 1 0 241.360 1.284 50 0 BDAARO CN(CC[N@H+](C)C1CCCC1)CCC(C)(C)O ZINC001529113626 990329943 /nfs/dbraw/zinc/32/99/43/990329943.db2.gz GYDUTFSLXMOUCF-UHFFFAOYSA-N 1 0 242.407 1.954 50 0 BDAARO CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC)c1C ZINC001529178512 990335166 /nfs/dbraw/zinc/33/51/66/990335166.db2.gz MZCGFSAIMILWMP-JTQLQIEISA-N 1 0 238.335 1.667 50 0 BDAARO Cc1cc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)on1 ZINC000329072311 178002718 /nfs/dbraw/zinc/00/27/18/178002718.db2.gz ZKEILAUWAPLYHS-JTQLQIEISA-N 1 0 248.286 1.664 50 0 BDAARO CCCCCC[C@@H](O)C[N@H+](CC)CCO ZINC000240934470 398160213 /nfs/dbraw/zinc/16/02/13/398160213.db2.gz JCINBNKBNVPKNP-GFCCVEGCSA-N 1 0 217.353 1.632 50 0 BDAARO CC[C@H]1Oc2cc([C@H](C)[NH3+])ccc2NC1=O ZINC000074942064 398210635 /nfs/dbraw/zinc/21/06/35/398210635.db2.gz VRQXDMHDNLLYPY-OIBJUYFYSA-N 1 0 220.272 1.816 50 0 BDAARO Cc1nc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)c[nH]1 ZINC000067868217 178282532 /nfs/dbraw/zinc/28/25/32/178282532.db2.gz HSHCSBLHNAVKLQ-LLVKDONJSA-N 1 0 243.310 1.956 50 0 BDAARO Cc1ccc(-c2ccc(=O)n(CC[NH3+])n2)cc1 ZINC000033420594 178323290 /nfs/dbraw/zinc/32/32/90/178323290.db2.gz XVPTVJDUIFDIBN-UHFFFAOYSA-N 1 0 229.283 1.177 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000037539667 178379926 /nfs/dbraw/zinc/37/99/26/178379926.db2.gz YXDCFCVEIDLWCL-GFCCVEGCSA-N 1 0 232.327 1.737 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c(C)n1 ZINC000070076446 178399989 /nfs/dbraw/zinc/39/99/89/178399989.db2.gz LNEQAIBFAXYPOL-PHIMTYICSA-N 1 0 247.342 1.521 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000000112476 342674972 /nfs/dbraw/zinc/67/49/72/342674972.db2.gz IZPOHNAFLAXBCQ-ZDUSSCGKSA-N 1 0 232.327 1.569 50 0 BDAARO C[n+]1cccc(-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000000173452 342679260 /nfs/dbraw/zinc/67/92/60/342679260.db2.gz SBPQYECHIFZOGU-UHFFFAOYSA-N 1 0 237.286 1.963 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000000275557 342681790 /nfs/dbraw/zinc/68/17/90/342681790.db2.gz RPSBMRKZOPGLSG-SNVBAGLBSA-N 1 0 209.289 1.820 50 0 BDAARO CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+] ZINC000000000506 342669315 /nfs/dbraw/zinc/66/93/15/342669315.db2.gz GJJFMKBJSRMPLA-DZGCQCFKSA-N 1 0 246.354 1.771 50 0 fda BDAARO O=C(c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000000782987 342692830 /nfs/dbraw/zinc/69/28/30/342692830.db2.gz FBTDRVSCKFZIQH-UHFFFAOYSA-N 1 0 224.691 1.385 50 0 in-vivo BDAARO CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000001846944 342712934 /nfs/dbraw/zinc/71/29/34/342712934.db2.gz GJJFMKBJSRMPLA-UKRRQHHQSA-N 1 0 246.354 1.771 50 0 in-man BDAARO C1=CC[C@@H](C[NH2+]CCCN2CCOCC2)CC1 ZINC000004559160 342749050 /nfs/dbraw/zinc/74/90/50/342749050.db2.gz QDBFOYVRKFPXBU-CQSZACIVSA-N 1 0 238.375 1.655 50 0 BDAARO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@H]1CO ZINC000002570087 342724826 /nfs/dbraw/zinc/72/48/26/342724826.db2.gz LUMAPUYZQIKJQG-AVGNSLFASA-N 1 0 205.301 1.890 50 0 BDAARO O=C(C[NH+]1CCCC1)NCc1ccccc1 ZINC000002860884 342727544 /nfs/dbraw/zinc/72/75/44/342727544.db2.gz LMRGURFWGRDIIQ-UHFFFAOYSA-N 1 0 218.300 1.399 50 0 BDAARO OCC[NH2+]Cc1cccc(Br)c1 ZINC000002862243 342727601 /nfs/dbraw/zinc/72/76/01/342727601.db2.gz PWFAZOJNSCGBPM-UHFFFAOYSA-N 1 0 230.105 1.531 50 0 BDAARO c1coc(C[NH2+]CCCN2CCOCC2)c1 ZINC000002944732 342728531 /nfs/dbraw/zinc/72/85/31/342728531.db2.gz ILBCZZMPZQMCOJ-UHFFFAOYSA-N 1 0 224.304 1.092 50 0 BDAARO CCCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000035206777 342749735 /nfs/dbraw/zinc/74/97/35/342749735.db2.gz IEQGWUGUMTYASL-GHMZBOCLSA-N 1 0 212.337 1.823 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000006692952 342780927 /nfs/dbraw/zinc/78/09/27/342780927.db2.gz FYUVLZRRIRGSTE-RKDXNWHRSA-N 1 0 212.293 1.073 50 0 BDAARO C[N@H+](CCCC(=O)[O-])CC[C@@H]1CCCC[NH+]1C ZINC000042717728 342781440 /nfs/dbraw/zinc/78/14/40/342781440.db2.gz NNGSQLGHIVUPEW-LBPRGKRZSA-N 1 0 242.363 1.657 50 0 BDAARO CC(C)c1ccc(CN2CCNC(=O)C2)cc1 ZINC000007843999 342794057 /nfs/dbraw/zinc/79/40/57/342794057.db2.gz LBKLZBLTQFGXJL-UHFFFAOYSA-N 1 0 232.327 1.742 50 0 BDAARO Cc1cc(NC(=O)NCC[NH2+]C(C)(C)C)on1 ZINC000071916270 342796018 /nfs/dbraw/zinc/79/60/18/342796018.db2.gz NMZZJNDXTMJGOV-UHFFFAOYSA-N 1 0 240.307 1.493 50 0 BDAARO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)NN1 ZINC000008729973 342803753 /nfs/dbraw/zinc/80/37/53/342803753.db2.gz GAWGGDNMPCOVJM-UHFFFAOYSA-N 1 0 245.326 1.046 50 0 BDAARO C[C@H](NC(=O)C[NH+](C)C)c1ccccc1 ZINC000012383847 342850654 /nfs/dbraw/zinc/85/06/54/342850654.db2.gz NODTZVZPWQRRRL-JTQLQIEISA-N 1 0 206.289 1.425 50 0 BDAARO CCCCOc1ccc([C@@H]([NH3+])CO)cc1 ZINC000012404649 342851586 /nfs/dbraw/zinc/85/15/86/342851586.db2.gz QXTSIVSFEQJPOE-LBPRGKRZSA-N 1 0 209.289 1.858 50 0 BDAARO Cc1c2c(n3[n+]1CCC3)CC(C)(C)CC2=O ZINC000012410243 342851738 /nfs/dbraw/zinc/85/17/38/342851738.db2.gz BXGQVZVRZFQHCI-UHFFFAOYSA-N 1 0 219.308 1.643 50 0 BDAARO Cc1ccc(NC(=O)CSC(N)=[NH2+])cc1 ZINC000004482332 342874104 /nfs/dbraw/zinc/87/41/04/342874104.db2.gz FLEQJUVXXZIXTF-UHFFFAOYSA-N 1 0 223.301 1.560 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccc(F)cc2)C1 ZINC000219738560 342899333 /nfs/dbraw/zinc/89/93/33/342899333.db2.gz VLVGHDQONOMCST-GCLPIYDQSA-N 1 0 248.301 1.646 50 0 BDAARO C[C@H](CO)[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000035624243 342890677 /nfs/dbraw/zinc/89/06/77/342890677.db2.gz IOEOGIAAKPDVAL-GFCCVEGCSA-N 1 0 245.326 1.402 50 0 BDAARO CC[C@](C)([NH2+]C)c1nnnn1-c1ccc(C)cc1 ZINC000004558171 342892608 /nfs/dbraw/zinc/89/26/08/342892608.db2.gz VESOVKWHKGJRAF-ZDUSSCGKSA-N 1 0 245.330 1.815 50 0 BDAARO CC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000016123724 342906702 /nfs/dbraw/zinc/90/67/02/342906702.db2.gz DXJOJUNLMJMJSN-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO Cc1cc(C(=O)NCC[NH+](C)C)cs1 ZINC000016603894 342913311 /nfs/dbraw/zinc/91/33/11/342913311.db2.gz ZHWWSCRAWJHZHM-UHFFFAOYSA-N 1 0 212.318 1.348 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@H]2C[NH2+][C@@H]2C1 ZINC000016697397 342914489 /nfs/dbraw/zinc/91/44/89/342914489.db2.gz BCONCMOUSFKNCK-VXGBXAGGSA-N 1 0 232.283 1.227 50 0 BDAARO C[C@H]([C@H](C)[NH2+]Cc1nccn1C)n1cccn1 ZINC000069368356 398329725 /nfs/dbraw/zinc/32/97/25/398329725.db2.gz TVZWBTLZDIATPC-WDEREUQCSA-N 1 0 233.319 1.356 50 0 BDAARO Clc1ccccc1OCCN1CC[NH2+]CC1 ZINC000019361619 342946946 /nfs/dbraw/zinc/94/69/46/342946946.db2.gz PSGCIWOCIBUFMJ-UHFFFAOYSA-N 1 0 240.734 1.624 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000019093110 342941576 /nfs/dbraw/zinc/94/15/76/342941576.db2.gz QXZQTLCDKRVYKB-LLVKDONJSA-N 1 0 204.273 1.250 50 0 BDAARO Cc1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000019470618 342948995 /nfs/dbraw/zinc/94/89/95/342948995.db2.gz XSJMNAKURPQNGA-LLVKDONJSA-N 1 0 206.289 1.917 50 0 BDAARO Cc1cc(C)cc(OCC(=O)N2CC[NH2+]CC2)c1 ZINC000019503022 342950051 /nfs/dbraw/zinc/95/00/51/342950051.db2.gz QZOQMJRMJRUKBW-UHFFFAOYSA-N 1 0 248.326 1.114 50 0 BDAARO CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019537210 342951466 /nfs/dbraw/zinc/95/14/66/342951466.db2.gz YKTWQDRASMEKFQ-UHFFFAOYSA-N 1 0 248.326 1.553 50 0 BDAARO CN(C)c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000019686622 342953692 /nfs/dbraw/zinc/95/36/92/342953692.db2.gz XIVYSBDUWQQLAL-SNVBAGLBSA-N 1 0 205.305 1.615 50 0 BDAARO Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000019411750 342947819 /nfs/dbraw/zinc/94/78/19/342947819.db2.gz CJBSRAOABNSEMY-LLVKDONJSA-N 1 0 222.263 1.825 50 0 BDAARO O=S1(=O)CC[C@@H]([NH2+]Cc2cccs2)C1 ZINC000019772558 342957026 /nfs/dbraw/zinc/95/70/26/342957026.db2.gz YPQKKLLKNACPMI-MRVPVSSYSA-N 1 0 231.342 1.025 50 0 BDAARO O=S1(=O)CC[C@H]([NH2+]Cc2cccs2)C1 ZINC000019772559 342957063 /nfs/dbraw/zinc/95/70/63/342957063.db2.gz YPQKKLLKNACPMI-QMMMGPOBSA-N 1 0 231.342 1.025 50 0 BDAARO CCOc1ccc([C@@H](C[NH3+])N(C)C)cc1 ZINC000019795684 342958213 /nfs/dbraw/zinc/95/82/13/342958213.db2.gz AMGSLUFNOJSTBN-GFCCVEGCSA-N 1 0 208.305 1.647 50 0 BDAARO C[C@@H](C[NH2+]CCN1CCOCC1)c1ccccc1 ZINC000020091422 342968760 /nfs/dbraw/zinc/96/87/60/342968760.db2.gz RRFXCFPBHIWTJP-AWEZNQCLSA-N 1 0 248.370 1.712 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000020577487 342991870 /nfs/dbraw/zinc/99/18/70/342991870.db2.gz PIZODTVQRJPXQY-SECBINFHSA-N 1 0 245.225 1.851 50 0 BDAARO CCOc1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC000020283712 342980356 /nfs/dbraw/zinc/98/03/56/342980356.db2.gz JKQCCNMMIYIUEH-UHFFFAOYSA-N 1 0 248.326 1.649 50 0 BDAARO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH3+] ZINC000020300521 342981083 /nfs/dbraw/zinc/98/10/83/342981083.db2.gz NUCTTXNLRMAMNJ-SNVBAGLBSA-N 1 0 206.289 1.382 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000020457460 342985626 /nfs/dbraw/zinc/98/56/26/342985626.db2.gz VIUSVTOXZSTKKV-LLVKDONJSA-N 1 0 222.263 1.389 50 0 BDAARO C[C@H](O)C[NH+](Cc1ccccc1)C[C@H](C)O ZINC000012383476 343051881 /nfs/dbraw/zinc/05/18/81/343051881.db2.gz NPMGKAJEKWZCIO-RYUDHWBXSA-N 1 0 223.316 1.250 50 0 BDAARO c1ccc(CCCN2CC[NH2+]CC2)cc1 ZINC000022916571 343056644 /nfs/dbraw/zinc/05/66/44/343056644.db2.gz LOJCUYCKDGYLJH-UHFFFAOYSA-N 1 0 204.317 1.524 50 0 BDAARO C[C@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000023508779 343065663 /nfs/dbraw/zinc/06/56/63/343065663.db2.gz BKITXDSDJGOXPN-JGVFFNPUSA-N 1 0 200.282 1.119 50 0 BDAARO NNc1[nH+]ccc2nc(C(F)(F)F)ccc21 ZINC000024915427 343079369 /nfs/dbraw/zinc/07/93/69/343079369.db2.gz IUGJAKZOWJXVNR-UHFFFAOYSA-N 1 0 228.177 1.934 50 0 BDAARO CCN1CCC([N@H+](C)CCCC(=O)OC)CC1 ZINC000042680403 362017620 /nfs/dbraw/zinc/01/76/20/362017620.db2.gz QLKMIDXKUUQJLL-UHFFFAOYSA-N 1 0 242.363 1.356 50 0 BDAARO Cc1nnc2n1CCN(CCc1ccncc1)C2 ZINC000072267499 343114106 /nfs/dbraw/zinc/11/41/06/343114106.db2.gz OWMDWMULTXBNPN-UHFFFAOYSA-N 1 0 243.314 1.040 50 0 BDAARO COc1ccc(CN(C)CC[NH+](C)C)cc1O ZINC000022585275 343140201 /nfs/dbraw/zinc/14/02/01/343140201.db2.gz SRGDCQDYDQLZBH-UHFFFAOYSA-N 1 0 238.331 1.394 50 0 BDAARO CN(CC(F)(F)F)C(=O)CC1CC[NH2+]CC1 ZINC000037995979 343143470 /nfs/dbraw/zinc/14/34/70/343143470.db2.gz JGQPOKPYLVUGLX-UHFFFAOYSA-N 1 0 238.253 1.397 50 0 BDAARO c1coc(C[NH2+]CCN2CCCCC2)c1 ZINC000032919233 343244612 /nfs/dbraw/zinc/24/46/12/343244612.db2.gz LXYJWYBKBPPUGF-UHFFFAOYSA-N 1 0 208.305 1.855 50 0 BDAARO [NH3+][C@@H]1Cc2ccc(Br)cc2C1 ZINC000034455565 343271481 /nfs/dbraw/zinc/27/14/81/343271481.db2.gz RWAVYCTUVYJSMU-SECBINFHSA-N 1 0 212.090 1.875 50 0 BDAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000023280177 343271670 /nfs/dbraw/zinc/27/16/70/343271670.db2.gz ZZEINKPTFWVMPI-GMTAPVOTSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@@H](CNC(=O)c1cccs1)C[NH+](C)C ZINC000002961501 343273091 /nfs/dbraw/zinc/27/30/91/343273091.db2.gz IUDYBWHGRVWQFJ-VIFPVBQESA-N 1 0 226.345 1.676 50 0 BDAARO C[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)c[nH]1 ZINC000036872214 343326001 /nfs/dbraw/zinc/32/60/01/343326001.db2.gz DACBOSOPMUBTSC-ZETCQYMHSA-N 1 0 231.255 1.825 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000036873260 343326055 /nfs/dbraw/zinc/32/60/55/343326055.db2.gz ANNWVDZUVCNFRL-KOLCDFICSA-N 1 0 221.304 1.386 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000039093827 343382071 /nfs/dbraw/zinc/38/20/71/343382071.db2.gz OBSACSBMTRJNPH-RKDXNWHRSA-N 1 0 214.309 1.781 50 0 BDAARO CC(C)(C)OC(=O)c1ccc(NN)[nH+]c1 ZINC000039087149 343382113 /nfs/dbraw/zinc/38/21/13/343382113.db2.gz LGHKHMSCVFCTRZ-UHFFFAOYSA-N 1 0 209.249 1.323 50 0 BDAARO Fc1cccc(N2CCC[NH2+]CC2)c1F ZINC000042325595 343434983 /nfs/dbraw/zinc/43/49/83/343434983.db2.gz OSSXFSAJVAPKGT-UHFFFAOYSA-N 1 0 212.243 1.765 50 0 BDAARO O=C(O[C@@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768398 343451073 /nfs/dbraw/zinc/45/10/73/343451073.db2.gz GUKFKWUQTOQFTR-MRVPVSSYSA-N 1 0 226.663 1.254 50 0 BDAARO O=C(OCC[C@@H]1CCCC[NH2+]1)C1CCC1 ZINC000042769288 343451079 /nfs/dbraw/zinc/45/10/79/343451079.db2.gz NBGFVXKCVOQTNT-NSHDSACASA-N 1 0 211.305 1.862 50 0 BDAARO O=C(OCC[C@@H]1CCCC[NH2+]1)C1CCOCC1 ZINC000042768827 343451173 /nfs/dbraw/zinc/45/11/73/343451173.db2.gz ZLEUALVNBGSONP-LBPRGKRZSA-N 1 0 241.331 1.488 50 0 BDAARO O=C(O[C@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768400 343451239 /nfs/dbraw/zinc/45/12/39/343451239.db2.gz GUKFKWUQTOQFTR-QMMMGPOBSA-N 1 0 226.663 1.254 50 0 BDAARO Fc1cccc(COC[C@H]2CC[NH2+]C2)c1 ZINC000042771900 343451983 /nfs/dbraw/zinc/45/19/83/343451983.db2.gz BKJHBGREGLSIQO-NSHDSACASA-N 1 0 209.264 1.952 50 0 BDAARO COc1cc(C[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000042784208 343453877 /nfs/dbraw/zinc/45/38/77/343453877.db2.gz GWUAELDIEVLACQ-SNVBAGLBSA-N 1 0 221.300 1.856 50 0 BDAARO COC(=O)c1ccccc1[C@H]1CCC[NH2+]1 ZINC000044135348 343492792 /nfs/dbraw/zinc/49/27/92/343492792.db2.gz SZYXCHSJJHPQQX-LLVKDONJSA-N 1 0 205.257 1.898 50 0 BDAARO C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000044138884 343493195 /nfs/dbraw/zinc/49/31/95/343493195.db2.gz VKVGAVMRFMGWMB-YFKPBYRVSA-N 1 0 201.067 1.864 50 0 BDAARO [NH3+][C@@H](CCO)c1ccccc1Br ZINC000044396330 343499587 /nfs/dbraw/zinc/49/95/87/343499587.db2.gz AVWNPPJNIPXJIZ-VIFPVBQESA-N 1 0 230.105 1.831 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@]12CC[C@@H](C[NH2+]1)C2 ZINC000047843896 343566454 /nfs/dbraw/zinc/56/64/54/343566454.db2.gz VWHTWONROPCVPD-SKDRFNHKSA-N 1 0 226.320 1.653 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000048116549 343571490 /nfs/dbraw/zinc/57/14/90/343571490.db2.gz YXKXVKFAISFJPS-QMMMGPOBSA-N 1 0 200.282 1.248 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000059384442 343708997 /nfs/dbraw/zinc/70/89/97/343708997.db2.gz CUPLIXNZYXWLEY-OLZOCXBDSA-N 1 0 237.347 1.509 50 0 BDAARO COC(=O)C[C@H](C[NH3+])c1ccc(C)cc1 ZINC000004811771 344274339 /nfs/dbraw/zinc/27/43/39/344274339.db2.gz WBPGFNAPPVSFEJ-LLVKDONJSA-N 1 0 207.273 1.600 50 0 BDAARO C[NH+]1CCC(NC(=O)/C=C/c2ccccc2)CC1 ZINC000039020716 344432498 /nfs/dbraw/zinc/43/24/98/344432498.db2.gz OSTOHNBAMSVMPO-BQYQJAHWSA-N 1 0 244.338 1.910 50 0 BDAARO Cn1c(Cl)c[n+](C)c1[C@H](O)c1ccccc1 ZINC000000231568 344652300 /nfs/dbraw/zinc/65/23/00/344652300.db2.gz HCBFIFGBEOKNNB-LLVKDONJSA-N 1 0 237.710 1.585 50 0 BDAARO Cc1c[nH]c(CN2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000628162244 344863115 /nfs/dbraw/zinc/86/31/15/344863115.db2.gz JCEUJRAJSASOND-LLVKDONJSA-N 1 0 222.336 1.244 50 0 BDAARO Nc1cc(N)[nH+]c(SCc2ccccn2)n1 ZINC000000411061 345571065 /nfs/dbraw/zinc/57/10/65/345571065.db2.gz RKSKZICWYUPSIX-UHFFFAOYSA-N 1 0 233.300 1.328 50 0 BDAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3cncnc3)c2O1 ZINC000137467140 345637152 /nfs/dbraw/zinc/63/71/52/345637152.db2.gz UWYCJCVDFUZWBS-LLVKDONJSA-N 1 0 245.257 1.545 50 0 BDAARO C[N+]1=C2CCCCCN2C[C@]1(O)c1ccccc1 ZINC000005574388 346258121 /nfs/dbraw/zinc/25/81/21/346258121.db2.gz KROKAMRSTHTTTK-HNNXBMFYSA-N 1 0 245.346 1.762 50 0 BDAARO Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000019391475 179017502 /nfs/dbraw/zinc/01/75/02/179017502.db2.gz UACUOYIGVCUZPR-GFCCVEGCSA-N 1 0 232.327 1.724 50 0 BDAARO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000019397369 179022076 /nfs/dbraw/zinc/02/20/76/179022076.db2.gz AOWXTJYYHCPPEP-GFCCVEGCSA-N 1 0 218.300 1.477 50 0 BDAARO OC(CN1CCCCC1)C[NH+]1CCCCC1 ZINC000000348106 346414569 /nfs/dbraw/zinc/41/45/69/346414569.db2.gz ANDURLBISWGIFG-UHFFFAOYSA-N 1 0 226.364 1.319 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccccn1 ZINC000002827310 346536137 /nfs/dbraw/zinc/53/61/37/346536137.db2.gz ZPDQDLGRRNYNIW-UHFFFAOYSA-N 1 0 221.304 1.153 50 0 BDAARO O[C@@H]1C[N@@H+]2CC[C@H]1[C@H](c1ccccc1)C2 ZINC000004122123 346593348 /nfs/dbraw/zinc/59/33/48/346593348.db2.gz RBDNCVMVYPEQHO-RWMBFGLXSA-N 1 0 203.285 1.467 50 0 BDAARO Cc1ccccc1OC[C@@H](O)C[NH+](C)C ZINC000004819838 346608214 /nfs/dbraw/zinc/60/82/14/346608214.db2.gz CNILXTYONMFSGG-NSHDSACASA-N 1 0 209.289 1.296 50 0 BDAARO C[N@@H+]1CCCN(Cc2cscn2)CC1 ZINC000166051997 346664162 /nfs/dbraw/zinc/66/41/62/346664162.db2.gz YVPIFCBPYOVQCO-UHFFFAOYSA-N 1 0 211.334 1.281 50 0 BDAARO Cc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000019479878 179140540 /nfs/dbraw/zinc/14/05/40/179140540.db2.gz WNGMLRIVMOGEAF-LLVKDONJSA-N 1 0 206.289 1.917 50 0 BDAARO Cc1cccc(OCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000032751346 179165691 /nfs/dbraw/zinc/16/56/91/179165691.db2.gz SHUTUWYJUGFSTB-ZDUSSCGKSA-N 1 0 248.326 1.324 50 0 BDAARO Cc1cccc(OCC[NH2+]CCO)c1C ZINC000002932793 179168463 /nfs/dbraw/zinc/16/84/63/179168463.db2.gz OBDZGRFNJSTDSU-UHFFFAOYSA-N 1 0 209.289 1.264 50 0 BDAARO Cc1cccc(Nc2cc[nH+]c(NN)n2)c1 ZINC000044845809 179158537 /nfs/dbraw/zinc/15/85/37/179158537.db2.gz ZDPYSMJNFHCNEC-UHFFFAOYSA-N 1 0 215.260 1.814 50 0 BDAARO Cc1cccc([C@@H](C[NH3+])N2CCOCC2)c1 ZINC000019796002 179185525 /nfs/dbraw/zinc/18/55/25/179185525.db2.gz VTZFEALSICCHLT-CYBMUJFWSA-N 1 0 220.316 1.327 50 0 BDAARO Cc1ccccc1C(=O)N1CCC[C@H]1C[NH3+] ZINC000020182597 179247521 /nfs/dbraw/zinc/24/75/21/179247521.db2.gz PHLTWZUJKCSSTG-NSHDSACASA-N 1 0 218.300 1.558 50 0 BDAARO Cc1ccccc1CC(=O)NCCC[NH+](C)C ZINC000044998496 179258227 /nfs/dbraw/zinc/25/82/27/179258227.db2.gz CWCHJCYMOURDDY-UHFFFAOYSA-N 1 0 234.343 1.605 50 0 BDAARO Cc1ccccc1CC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000044541701 179257596 /nfs/dbraw/zinc/25/75/96/179257596.db2.gz PHBWCLWLRRZXRJ-CQSZACIVSA-N 1 0 246.354 1.877 50 0 BDAARO Cc1ccccc1CN(C)CC[NH+](C)C ZINC000019606631 179270562 /nfs/dbraw/zinc/27/05/62/179270562.db2.gz DHBBUBXECYDRGT-UHFFFAOYSA-N 1 0 206.333 1.988 50 0 BDAARO CCN(Cc1ccoc1)C(=O)[C@@H]([NH3+])C(C)C ZINC000195554204 347638236 /nfs/dbraw/zinc/63/82/36/347638236.db2.gz SKXPHYVABXACKX-NSHDSACASA-N 1 0 224.304 1.611 50 0 BDAARO O[C@@H]1COC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000195558915 347645903 /nfs/dbraw/zinc/64/59/03/347645903.db2.gz BJWQSQIUOIJNNJ-CLRIEMFWSA-N 1 0 233.311 1.282 50 0 BDAARO Cc1ccccc1CN1CC[NH2+]CCC1=O ZINC000042784342 179274523 /nfs/dbraw/zinc/27/45/23/179274523.db2.gz JCVZYFKTWMFSAI-UHFFFAOYSA-N 1 0 218.300 1.317 50 0 BDAARO CCCc1nc(N2CCC[C@H](C[NH2+]C)C2)no1 ZINC000534638544 323157022 /nfs/dbraw/zinc/15/70/22/323157022.db2.gz IYIWCCMCYZKZQN-SNVBAGLBSA-N 1 0 238.335 1.458 50 0 BDAARO Cc1ccccc1Cc1ccc(NN)[nH+]n1 ZINC000001400032 179293517 /nfs/dbraw/zinc/29/35/17/179293517.db2.gz IKIIFNFLRDBPKD-UHFFFAOYSA-N 1 0 214.272 1.661 50 0 BDAARO Cc1ccccc1NC(=S)NCC[NH+](C)C ZINC000004550175 179302866 /nfs/dbraw/zinc/30/28/66/179302866.db2.gz YAMGKYQFZIXRRD-UHFFFAOYSA-N 1 0 237.372 1.843 50 0 BDAARO Cc1ccccc1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188189239 179303550 /nfs/dbraw/zinc/30/35/50/179303550.db2.gz PDHQYVGGERNFJV-GXSJLCMTSA-N 1 0 222.263 1.634 50 0 BDAARO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(F)(F)CC2)C1 ZINC000405130754 323172564 /nfs/dbraw/zinc/17/25/64/323172564.db2.gz FSZFQOGCGFEENR-DTWKUNHWSA-N 1 0 232.274 1.372 50 0 BDAARO Cc1ccn2c(c1)nnc2C1CC[NH2+]CC1 ZINC000036243910 179412530 /nfs/dbraw/zinc/41/25/30/179412530.db2.gz JXAMAVKFYSRPGA-UHFFFAOYSA-N 1 0 216.288 1.505 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCn1ccnn1 ZINC000152676543 362917681 /nfs/dbraw/zinc/91/76/81/362917681.db2.gz QBTMSMYWHHHYMF-QWHCGFSZSA-N 1 0 234.347 1.860 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)C2CCC2)CC1 ZINC000012382489 190979329 /nfs/dbraw/zinc/97/93/29/190979329.db2.gz PANBFPCBMNTZDW-UHFFFAOYSA-N 1 0 224.348 1.776 50 0 BDAARO CC(C)(C)c1ccc(-n2c(C[NH3+])n[nH]c2=O)cc1 ZINC000065506855 191001797 /nfs/dbraw/zinc/00/17/97/191001797.db2.gz LHXCPOQVIYZFDV-UHFFFAOYSA-N 1 0 246.314 1.317 50 0 BDAARO Cc1nnc([C@@H](C)[NH2+]C2CCSCC2)[nH]1 ZINC000065499446 180036149 /nfs/dbraw/zinc/03/61/49/180036149.db2.gz KKPNGPZJKBJAJP-SSDOTTSWSA-N 1 0 226.349 1.659 50 0 BDAARO Cc1ncc(C[N@H+](C)CCc2ccncc2)n1C ZINC000216439658 180136699 /nfs/dbraw/zinc/13/66/99/180136699.db2.gz RQBLBRQOYFQDMP-UHFFFAOYSA-N 1 0 244.342 1.798 50 0 BDAARO CSc1ccccc1NC1=[NH+]CCN1 ZINC000033824277 350250377 /nfs/dbraw/zinc/25/03/77/350250377.db2.gz OPHZSYAPCIBUMS-UHFFFAOYSA-N 1 0 207.302 1.780 50 0 BDAARO Cc1nccnc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000067726581 180272200 /nfs/dbraw/zinc/27/22/00/180272200.db2.gz KXEVSUYEKWVKPW-NSHDSACASA-N 1 0 241.294 1.714 50 0 BDAARO Cc1ncsc1CCN(C)[C@@H]1CCC[NH2+]C1 ZINC000067433171 180307197 /nfs/dbraw/zinc/30/71/97/180307197.db2.gz FNBAWZOKICBZNA-LLVKDONJSA-N 1 0 239.388 1.678 50 0 BDAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)on1 ZINC000040534240 350373184 /nfs/dbraw/zinc/37/31/84/350373184.db2.gz MABMYGPPKXAELB-UHFFFAOYSA-N 1 0 237.303 1.199 50 0 BDAARO Cc1nn(-c2ccccc2)c(C)c1C[NH3+] ZINC000000333413 180329110 /nfs/dbraw/zinc/32/91/10/180329110.db2.gz OBCGZRPPRQGJNF-UHFFFAOYSA-N 1 0 201.273 1.948 50 0 BDAARO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC000041926576 351883386 /nfs/dbraw/zinc/88/33/86/351883386.db2.gz VMFXVGOYNWMJKV-GHMZBOCLSA-N 1 0 212.337 1.489 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000052136909 187610148 /nfs/dbraw/zinc/61/01/48/187610148.db2.gz SBBWZBURPACJNU-GFCCVEGCSA-N 1 0 218.300 1.097 50 0 BDAARO Cc1cc(C[N@@H+](C)CCc2nccn2C)ccn1 ZINC000670473390 487535750 /nfs/dbraw/zinc/53/57/50/487535750.db2.gz NBXXVZSMJSAFOQ-UHFFFAOYSA-N 1 0 244.342 1.798 50 0 BDAARO CC(=O)N1CCC([NH2+]Cc2cccnc2C)CC1 ZINC000343089438 352957795 /nfs/dbraw/zinc/95/77/95/352957795.db2.gz DILBHCOBFMHLFZ-UHFFFAOYSA-N 1 0 247.342 1.491 50 0 BDAARO [NH3+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000236248463 323946381 /nfs/dbraw/zinc/94/63/81/323946381.db2.gz LDLZZULMXHAQQJ-UHFFFAOYSA-N 1 0 220.316 1.367 50 0 BDAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccnc1 ZINC000030908739 180825700 /nfs/dbraw/zinc/82/57/00/180825700.db2.gz HQWJPGRCQMXGEU-CYBMUJFWSA-N 1 0 242.326 1.982 50 0 BDAARO CC(C)C(C[NH2+]CC(=O)N(C)C)C(C)C ZINC000229552283 188253840 /nfs/dbraw/zinc/25/38/40/188253840.db2.gz POEYHWBZRJUZJU-UHFFFAOYSA-N 1 0 214.353 1.592 50 0 BDAARO OCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000002644818 188274811 /nfs/dbraw/zinc/27/48/11/188274811.db2.gz AFIHDUMBMCABLM-CABCVRRESA-N 1 0 249.354 1.957 50 0 BDAARO Cc1cc(C)n(-c2ccc(C[NH3+])cc2)n1 ZINC000002538839 188275159 /nfs/dbraw/zinc/27/51/59/188275159.db2.gz PARNNKGLJSIUFI-UHFFFAOYSA-N 1 0 201.273 1.948 50 0 BDAARO C1CCN2[C@H]3[NH2+]CCC[C@H]3[C@@H]3CCCCN3[C@H]2C1 ZINC000019323857 188280486 /nfs/dbraw/zinc/28/04/86/188280486.db2.gz BJPDKJGEOOTNHF-BYNSBNAKSA-N 1 0 249.402 1.992 50 0 BDAARO COc1ccc([C@@H]([NH3+])CN2CCOCC2)cc1 ZINC000019821430 188281887 /nfs/dbraw/zinc/28/18/87/188281887.db2.gz GFESURDLZNMRDN-ZDUSSCGKSA-N 1 0 236.315 1.027 50 0 BDAARO CC(C)=CC[N@H+]1CCc2c(ncn2C)C1 ZINC000069873013 188284552 /nfs/dbraw/zinc/28/45/52/188284552.db2.gz JHWVIBPYALWNLZ-UHFFFAOYSA-N 1 0 205.305 1.744 50 0 BDAARO CCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000069814230 188285055 /nfs/dbraw/zinc/28/50/55/188285055.db2.gz AVRZPWRFDCBTSZ-NSHDSACASA-N 1 0 200.326 1.049 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000035051065 188285102 /nfs/dbraw/zinc/28/51/02/188285102.db2.gz YIRBOOICRQFSOK-NSHDSACASA-N 1 0 207.273 1.713 50 0 in-vitro BDAARO CC(C)[C@H]([NH2+]CC(N)=O)c1ccc(F)cc1 ZINC000071793208 188288628 /nfs/dbraw/zinc/28/86/28/188288628.db2.gz ZCTKQKULYBSQIO-LBPRGKRZSA-N 1 0 224.279 1.598 50 0 BDAARO CC(C)N(C(=O)C1CC[NH2+]CC1)C(C)C ZINC000047843969 188297828 /nfs/dbraw/zinc/29/78/28/188297828.db2.gz JQFXURJXLHSTPL-UHFFFAOYSA-N 1 0 212.337 1.631 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000052136904 188299493 /nfs/dbraw/zinc/29/94/93/188299493.db2.gz SBBWZBURPACJNU-LBPRGKRZSA-N 1 0 218.300 1.097 50 0 BDAARO CC(C)[N@H+](C)CCNC(=O)c1ccco1 ZINC000058356606 188302380 /nfs/dbraw/zinc/30/23/80/188302380.db2.gz CHKCYGIROZJZJE-UHFFFAOYSA-N 1 0 210.277 1.350 50 0 BDAARO COc1ccc(CN2CCC[NH2+]CC2=O)cc1 ZINC000071544010 188306484 /nfs/dbraw/zinc/30/64/84/188306484.db2.gz DCBSUAFZVAGQQL-UHFFFAOYSA-N 1 0 234.299 1.017 50 0 BDAARO C(C[NH+]1CCCCC1)N1CCSCC1 ZINC000041366709 188322946 /nfs/dbraw/zinc/32/29/46/188322946.db2.gz ZKUWMXZWJSNPAE-UHFFFAOYSA-N 1 0 214.378 1.521 50 0 BDAARO CC1(C)OCC[C@@H]1[NH2+]Cc1ccncc1F ZINC000336218364 188368567 /nfs/dbraw/zinc/36/85/67/188368567.db2.gz YESPVBUSVVAYNK-NSHDSACASA-N 1 0 224.279 1.878 50 0 BDAARO CC(C)n1cc(CN(C)[C@H]2CC[NH2+]C2)cn1 ZINC000220107501 353820905 /nfs/dbraw/zinc/82/09/05/353820905.db2.gz JAWKPYKAGFURKA-LBPRGKRZSA-N 1 0 222.336 1.258 50 0 BDAARO C[C@@]1(C(=O)NCC2([NH3+])CCC2)CC1(F)F ZINC000334585348 354208328 /nfs/dbraw/zinc/20/83/28/354208328.db2.gz QSQWDPIKKDGPFD-QMMMGPOBSA-N 1 0 218.247 1.029 50 0 BDAARO FC[C@H]1C[N@H+](Cc2ccncc2)CCCO1 ZINC000334644312 354402355 /nfs/dbraw/zinc/40/23/55/354402355.db2.gz CITSCAZBHKKFAZ-LBPRGKRZSA-N 1 0 224.279 1.642 50 0 BDAARO N=C(NC(N)=[NH2+])Nc1c(Cl)cccc1Cl ZINC000000016382 181188576 /nfs/dbraw/zinc/18/85/76/181188576.db2.gz PZXIBLJRRIQYKP-UHFFFAOYSA-N 1 0 246.101 1.823 50 0 BDAARO NC(=[NH2+])c1ccc(COC2CCOCC2)cc1 ZINC000040993257 181193815 /nfs/dbraw/zinc/19/38/15/181193815.db2.gz LJXXCYHTMDEPKM-UHFFFAOYSA-N 1 0 234.299 1.666 50 0 BDAARO NC(=[NH2+])c1cc(Br)ccc1F ZINC000002599221 181193656 /nfs/dbraw/zinc/19/36/56/181193656.db2.gz QIDKTWKUJFVSGL-UHFFFAOYSA-N 1 0 217.041 1.872 50 0 BDAARO [NH2+]=C(NC[C@@H]1CCCO1)Nc1ccccc1 ZINC000052046964 181199328 /nfs/dbraw/zinc/19/93/28/181199328.db2.gz XLWRYLANVXTAGO-NSHDSACASA-N 1 0 219.288 1.802 50 0 BDAARO NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019280840 181257411 /nfs/dbraw/zinc/25/74/11/181257411.db2.gz OGDDDXCCTAQTJC-UHFFFAOYSA-N 1 0 233.315 1.319 50 0 BDAARO NC(=O)[C@@H]1CCCCN1CCOc1ccccc1 ZINC000065562432 181268261 /nfs/dbraw/zinc/26/82/61/181268261.db2.gz XLIVVZXAFABOQC-ZDUSSCGKSA-N 1 0 248.326 1.405 50 0 BDAARO CCC1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000019899748 356361163 /nfs/dbraw/zinc/36/11/63/356361163.db2.gz CDJXPOMZVDLVJP-HTAVTVPLSA-N 1 0 245.388 1.732 50 0 BDAARO O=S1(=O)CCNCC[C@@H]1c1cccs1 ZINC000618254154 356468377 /nfs/dbraw/zinc/46/83/77/356468377.db2.gz FQPDOGNNSYOCCM-SECBINFHSA-N 1 0 231.342 1.197 50 0 BDAARO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000097113844 181280807 /nfs/dbraw/zinc/28/08/07/181280807.db2.gz WSHSBIGTBPXKGQ-QWHCGFSZSA-N 1 0 232.327 1.820 50 0 BDAARO NC(=O)[C@]1(CCCc2cccnc2)CCC[NH2+]1 ZINC000072343788 181285213 /nfs/dbraw/zinc/28/52/13/181285213.db2.gz CAMMWAXREIWRSP-ZDUSSCGKSA-N 1 0 233.315 1.012 50 0 BDAARO CC[NH2+]CCNc1ncc(Cl)cn1 ZINC000168053502 134155929 /nfs/dbraw/zinc/15/59/29/134155929.db2.gz JYTLYOUWQHXNJJ-UHFFFAOYSA-N 1 0 200.673 1.151 50 0 BDAARO C[C@@]1(CO)CCC[C@H]1[NH2+]C1CCOCC1 ZINC000095403010 538605899 /nfs/dbraw/zinc/60/58/99/538605899.db2.gz IAFKZGAXLGGOCR-NEPJUHHUSA-N 1 0 213.321 1.306 50 0 BDAARO CCC[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000075011403 356789259 /nfs/dbraw/zinc/78/92/59/356789259.db2.gz DUPZQMUZIZHAHJ-JTQLQIEISA-N 1 0 219.350 1.153 50 0 BDAARO O=C1C[C@H]([NH2+]C2CCCCC2)CN1C1CC1 ZINC000098016427 538714382 /nfs/dbraw/zinc/71/43/82/538714382.db2.gz RUJNPMMSEHYRQB-NSHDSACASA-N 1 0 222.332 1.672 50 0 BDAARO NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338489 181294610 /nfs/dbraw/zinc/29/46/10/181294610.db2.gz RLFNDZRCJNYKHM-UHFFFAOYSA-N 1 0 218.300 1.771 50 0 BDAARO CCOC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000233650547 358197964 /nfs/dbraw/zinc/19/79/64/358197964.db2.gz RJELEWQGYOGXFH-GXSJLCMTSA-N 1 0 215.293 1.097 50 0 BDAARO CCOC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000233650534 358198185 /nfs/dbraw/zinc/19/81/85/358198185.db2.gz RJELEWQGYOGXFH-MWLCHTKSSA-N 1 0 215.293 1.097 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000016603323 359638123 /nfs/dbraw/zinc/63/81/23/359638123.db2.gz MPLFTDIHULKDED-UHFFFAOYSA-N 1 0 237.303 1.197 50 0 BDAARO CCOc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000004813616 360477619 /nfs/dbraw/zinc/47/76/19/360477619.db2.gz UPYIEERVVMFOAL-UHFFFAOYSA-N 1 0 236.315 1.377 50 0 BDAARO OC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000005776349 360496073 /nfs/dbraw/zinc/49/60/73/360496073.db2.gz RAZZBNCWCCMMGG-GFCCVEGCSA-N 1 0 231.339 1.858 50 0 BDAARO COC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000034781220 360463173 /nfs/dbraw/zinc/46/31/73/360463173.db2.gz KCUNTYMNJVXYKZ-JTQLQIEISA-N 1 0 218.256 1.211 50 0 biogenic,in-vitro BDAARO NC(=S)CC[N@@H+]1CCc2ccccc2C1 ZINC000019433456 181315244 /nfs/dbraw/zinc/31/52/44/181315244.db2.gz SWUHOZJWHUEJOW-UHFFFAOYSA-N 1 0 220.341 1.721 50 0 BDAARO Cc1ccoc1[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000170072106 361387756 /nfs/dbraw/zinc/38/77/56/361387756.db2.gz GNBKKNAVCPBHOV-GHMZBOCLSA-N 1 0 236.315 1.907 50 0 BDAARO Cc1ccoc1[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000170072108 361387789 /nfs/dbraw/zinc/38/77/89/361387789.db2.gz GNBKKNAVCPBHOV-WDEREUQCSA-N 1 0 236.315 1.907 50 0 BDAARO [NH2+]=C1NC[C@@H](c2ccc(Br)cc2)O1 ZINC000063110936 181339416 /nfs/dbraw/zinc/33/94/16/181339416.db2.gz QKNWNIQGFNMGFH-QMMMGPOBSA-N 1 0 241.088 1.835 50 0 BDAARO [NH3+]C1CCN(CCOc2ccc(F)cc2)CC1 ZINC000020266788 181343977 /nfs/dbraw/zinc/34/39/77/181343977.db2.gz HXVZSLARSJNJRQ-UHFFFAOYSA-N 1 0 238.306 1.628 50 0 BDAARO C[C@@H]1CCC[C@H](C)[C@H]1N(C)C(=O)CC[NH3+] ZINC000252584859 363895391 /nfs/dbraw/zinc/89/53/91/363895391.db2.gz DKWPBPXIQQVNGH-IAZYJMLFSA-N 1 0 212.337 1.618 50 0 BDAARO CC(C)(C)[C@@](C)([NH3+])CNC(=O)NC1CCCC1 ZINC000725254935 541331988 /nfs/dbraw/zinc/33/19/88/541331988.db2.gz KSMVAIWBOJGGPB-ZDUSSCGKSA-N 1 0 241.379 1.992 50 0 BDAARO [NH3+]CC1CCN(C(=O)NCc2ccccc2)CC1 ZINC000139741307 181365321 /nfs/dbraw/zinc/36/53/21/181365321.db2.gz MZRGNMWEURVQHC-UHFFFAOYSA-N 1 0 247.342 1.567 50 0 BDAARO [NH3+]CCCC(=O)N1CCc2ccc(F)cc21 ZINC000225412490 181371474 /nfs/dbraw/zinc/37/14/74/181371474.db2.gz INMKPGHSGGARTR-UHFFFAOYSA-N 1 0 222.263 1.454 50 0 BDAARO [NH3+]CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000001701169 181392033 /nfs/dbraw/zinc/39/20/33/181392033.db2.gz IVEJXGNFULDNLM-NTMALXAHSA-N 1 0 248.307 1.682 50 0 BDAARO [NH3+]CCN1CCC[C@@H](c2ccccc2)C1 ZINC000022935996 181392191 /nfs/dbraw/zinc/39/21/91/181392191.db2.gz LDLWTHMIKGPNCU-CYBMUJFWSA-N 1 0 204.317 1.825 50 0 BDAARO [NH3+]CCNC(=O)c1cccc(Br)c1 ZINC000013834260 181395364 /nfs/dbraw/zinc/39/53/64/181395364.db2.gz WRQPJKCUPLIGAV-UHFFFAOYSA-N 1 0 243.104 1.138 50 0 BDAARO [NH3+]CCNCc1ccc(F)cc1Cl ZINC000032919759 181397256 /nfs/dbraw/zinc/39/72/56/181397256.db2.gz BXUPXOTVMCZSPD-UHFFFAOYSA-N 1 0 202.660 1.527 50 0 BDAARO [NH3+]CCOc1cc(F)cc(F)c1Cl ZINC000085391985 181399560 /nfs/dbraw/zinc/39/95/60/181399560.db2.gz LEFUHIUNCODFDK-UHFFFAOYSA-N 1 0 207.607 1.956 50 0 BDAARO CC[C@](C)(NC(=O)C[NH2+]C)c1ccccc1 ZINC000225488011 370859155 /nfs/dbraw/zinc/85/91/55/370859155.db2.gz ULUYFJNFUZPXJQ-ZDUSSCGKSA-N 1 0 220.316 1.647 50 0 BDAARO CC(=O)c1c(C)n(O)c2cc(C)c(C)cc2[n+]1=O ZINC000138192746 368391184 /nfs/dbraw/zinc/39/11/84/368391184.db2.gz PWVMKPMVOUYQBW-UHFFFAOYSA-N 1 0 247.274 1.921 50 0 BDAARO [NH3+]CC1(NC(=O)OCc2ccccc2)CC1 ZINC000204368444 369027217 /nfs/dbraw/zinc/02/72/17/369027217.db2.gz PZUXHXGMZFMEJL-UHFFFAOYSA-N 1 0 220.272 1.404 50 0 BDAARO C[C@@H](Cn1ccnc1)[NH2+]CC1(CO)CCC1 ZINC000584887064 369034757 /nfs/dbraw/zinc/03/47/57/369034757.db2.gz NJURGPIALOQVPF-NSHDSACASA-N 1 0 223.320 1.024 50 0 BDAARO C[N@@H+]1CCCN(C(=O)Nc2cccs2)CC1 ZINC000390826309 371237478 /nfs/dbraw/zinc/23/74/78/371237478.db2.gz HWLWJSPRRIHFJS-UHFFFAOYSA-N 1 0 239.344 1.918 50 0 BDAARO COC(=O)CC[N@H+](C)C[C@H]1CC=CCC1 ZINC000390834567 371240179 /nfs/dbraw/zinc/24/01/79/371240179.db2.gz DISXTXQRSUBIFT-NSHDSACASA-N 1 0 211.305 1.838 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3F)C[C@@H]12 ZINC000185107850 181592439 /nfs/dbraw/zinc/59/24/39/181592439.db2.gz WQCDREVBENQVAS-IRUJWGPZSA-N 1 0 248.301 1.635 50 0 BDAARO Cc1ccc(N(C)C(=O)C[NH3+])cc1Cl ZINC000020262010 371254788 /nfs/dbraw/zinc/25/47/88/371254788.db2.gz LEQKHKXYITVVDM-UHFFFAOYSA-N 1 0 212.680 1.570 50 0 BDAARO [NH3+][C@H](CCO)c1ccc(Br)cc1 ZINC000012648872 181614336 /nfs/dbraw/zinc/61/43/36/181614336.db2.gz XWXQMFXVRNFZOH-SECBINFHSA-N 1 0 230.105 1.831 50 0 BDAARO CCN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000095348849 371271946 /nfs/dbraw/zinc/27/19/46/371271946.db2.gz XISIKIZNGAVART-OAHLLOKOSA-N 1 0 248.370 1.228 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000070392875 181643904 /nfs/dbraw/zinc/64/39/04/181643904.db2.gz AJWRAPQZIRBHQJ-JQWIXIFHSA-N 1 0 246.310 1.112 50 0 BDAARO C[NH2+][C@H](C)COc1ccc(C(C)=O)cc1 ZINC000096027913 371383904 /nfs/dbraw/zinc/38/39/04/371383904.db2.gz GLYDQANAMULFPJ-SECBINFHSA-N 1 0 207.273 1.876 50 0 BDAARO CC[N@H+](Cc1cccc(C)c1)[C@@H]1CCNC1=O ZINC000097031831 371539429 /nfs/dbraw/zinc/53/94/29/371539429.db2.gz SGMAJYNOEHDSPD-CYBMUJFWSA-N 1 0 232.327 1.705 50 0 BDAARO CN1C[C@@](O)(c2ccccc2)[N+]2=C1CCCCC2 ZINC000004165180 372156008 /nfs/dbraw/zinc/15/60/08/372156008.db2.gz SYVAXBZGMNXKSU-OAHLLOKOSA-N 1 0 245.346 1.762 50 0 BDAARO O=C(Cc1ccsc1)N[C@@H]1CCC[NH2+]C1 ZINC000040434217 182059369 /nfs/dbraw/zinc/05/93/69/182059369.db2.gz NAEJOBFXJKWEBM-SNVBAGLBSA-N 1 0 224.329 1.159 50 0 BDAARO Cc1ccc(SCCN2CC[NH2+]CC2)cc1 ZINC000022515616 205462405 /nfs/dbraw/zinc/46/24/05/205462405.db2.gz UDTLQSYLHOJCKO-UHFFFAOYSA-N 1 0 236.384 1.992 50 0 BDAARO CC(C)=CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069509135 373332724 /nfs/dbraw/zinc/33/27/24/373332724.db2.gz FKJSFZIRCGMALS-QWRGUYRKSA-N 1 0 210.321 1.538 50 0 BDAARO O=C(NCCC1CC[NH2+]CC1)C1CCCC1 ZINC000035605651 182158898 /nfs/dbraw/zinc/15/88/98/182158898.db2.gz CBLIVSRGXMDAKF-UHFFFAOYSA-N 1 0 224.348 1.683 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1ccoc1 ZINC000040534246 182185790 /nfs/dbraw/zinc/18/57/90/182185790.db2.gz GEEXFHQIIICOJP-UHFFFAOYSA-N 1 0 222.288 1.495 50 0 BDAARO O=C(NCC[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000082486870 182199155 /nfs/dbraw/zinc/19/91/55/182199155.db2.gz XSLUNJCBZDOCPQ-JTQLQIEISA-N 1 0 238.356 1.868 50 0 BDAARO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1CCCC[NH2+]1 ZINC000037566084 182230933 /nfs/dbraw/zinc/23/09/33/182230933.db2.gz SWNAVRLADYNPTB-GXTWGEPZSA-N 1 0 244.338 1.585 50 0 BDAARO O=C(NCc1ccc(F)cc1)[C@H]1CCC[NH2+]1 ZINC000019413500 182250366 /nfs/dbraw/zinc/25/03/66/182250366.db2.gz KGIPTYYJKKZVAG-LLVKDONJSA-N 1 0 222.263 1.194 50 0 BDAARO O=C(NCc1ccccc1F)C1CC[NH2+]CC1 ZINC000019409568 182256601 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/nfs/dbraw/zinc/23/35/04/183233504.db2.gz UXDSNEZYZXMQEY-QWHCGFSZSA-N 1 0 221.300 1.177 50 0 BDAARO Oc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000022591677 183269538 /nfs/dbraw/zinc/26/95/38/183269538.db2.gz ZLZNYSYKGWIHEA-GFCCVEGCSA-N 1 0 207.273 1.349 50 0 BDAARO c1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)ccn1 ZINC000020014312 183333139 /nfs/dbraw/zinc/33/31/39/183333139.db2.gz GQORLFNLGGODDD-JTQLQIEISA-N 1 0 230.271 1.946 50 0 BDAARO CCC[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000016604930 169188445 /nfs/dbraw/zinc/18/84/45/169188445.db2.gz GNBTWGPTVMRQCA-LBPRGKRZSA-N 1 0 240.347 1.156 50 0 BDAARO CCC[N@@H+]1CCN(CCOCC)[C@@H](C)C1 ZINC000106776984 169202873 /nfs/dbraw/zinc/20/28/73/169202873.db2.gz REPNFEWSVDHOOW-LBPRGKRZSA-N 1 0 214.353 1.439 50 0 BDAARO CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc[nH]c2C)C1 ZINC000267391373 169207094 /nfs/dbraw/zinc/20/70/94/169207094.db2.gz VBVQZLRDZNCYJR-LBPRGKRZSA-N 1 0 249.358 1.785 50 0 BDAARO c1cc(C[NH2+]CCN2CCOCC2)cs1 ZINC000019872526 183350852 /nfs/dbraw/zinc/35/08/52/183350852.db2.gz DFHGFRWDVJBBPG-UHFFFAOYSA-N 1 0 226.345 1.170 50 0 BDAARO CCCNC(=O)C[N@@H+]1CCCC[C@@H]1CC ZINC000058014309 169221240 /nfs/dbraw/zinc/22/12/40/169221240.db2.gz VVVGYHUDMNUBRF-NSHDSACASA-N 1 0 212.337 1.777 50 0 BDAARO c1cc(C2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000096663628 183336456 /nfs/dbraw/zinc/33/64/56/183336456.db2.gz IFAYEYHNHVHISD-UHFFFAOYSA-N 1 0 203.289 1.821 50 0 BDAARO c1cc(C[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000002555476 183369268 /nfs/dbraw/zinc/36/92/68/183369268.db2.gz JGIVRLDNRBEOHY-LLVKDONJSA-N 1 0 219.284 1.957 50 0 BDAARO c1cc2c(cc1N[C@H]1CCC[NH2+]C1)OCCO2 ZINC000043324141 183370208 /nfs/dbraw/zinc/37/02/08/183370208.db2.gz MCBAWRWVTZMMQS-NSHDSACASA-N 1 0 234.299 1.622 50 0 BDAARO CCC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000003887612 169262150 /nfs/dbraw/zinc/26/21/50/169262150.db2.gz NDBVZFMGYMXMQA-SNVBAGLBSA-N 1 0 207.273 1.826 50 0 BDAARO c1ccc(-c2nnn3c2C[NH2+]CC3)cc1 ZINC000079018020 183384573 /nfs/dbraw/zinc/38/45/73/183384573.db2.gz UXLGEEMSNUNLHX-UHFFFAOYSA-N 1 0 200.245 1.048 50 0 in-vitro BDAARO c1ccc2c(c1)CCN2C[C@@H]1CCC[NH2+]1 ZINC000011805262 183443165 /nfs/dbraw/zinc/44/31/65/183443165.db2.gz HVNNVTYFRVPRAX-LBPRGKRZSA-N 1 0 202.301 1.801 50 0 BDAARO CCC[C@@H](C)[NH2+]C1(CCO)CCOCC1 ZINC000096494877 169369138 /nfs/dbraw/zinc/36/91/38/169369138.db2.gz FQEYQWAWSQDUDZ-LLVKDONJSA-N 1 0 215.337 1.696 50 0 BDAARO c1cncc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)c1 ZINC000000187175 183498019 /nfs/dbraw/zinc/49/80/19/183498019.db2.gz AJFBYQYWGNVXSV-ZIAGYGMSSA-N 1 0 248.326 1.982 50 0 BDAARO CCOc1ccccc1CN1CC[NH2+][C@@H](C)C1 ZINC000088058731 383876316 /nfs/dbraw/zinc/87/63/16/383876316.db2.gz YHAJOCNYYYZFTC-LBPRGKRZSA-N 1 0 234.343 1.879 50 0 BDAARO Cc1n[nH]c(C)c1NC(=O)[C@H]([NH3+])CC(C)C ZINC000036736530 383906930 /nfs/dbraw/zinc/90/69/30/383906930.db2.gz OUXJXKCOPDSPQN-SECBINFHSA-N 1 0 224.308 1.338 50 0 BDAARO CC(C)n1cnnc1CN(C)[C@@H]1CCC[NH2+]C1 ZINC000067489533 383927047 /nfs/dbraw/zinc/92/70/47/383927047.db2.gz MSQNVJGDITVYTE-LLVKDONJSA-N 1 0 237.351 1.043 50 0 BDAARO CCN(C(=O)[C@@H](C)[NH3+])c1ccc(F)cc1 ZINC000050013434 383892434 /nfs/dbraw/zinc/89/24/34/383892434.db2.gz LMOKGUPFRLQXEE-MRVPVSSYSA-N 1 0 210.252 1.526 50 0 BDAARO CC1(C)C(c2ccco2)[N+](=O)C(C)(C)N1O ZINC000000201480 383904195 /nfs/dbraw/zinc/90/41/95/383904195.db2.gz UDYGHNPTAGQTBY-UHFFFAOYSA-N 1 0 224.260 1.799 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000050228695 383982652 /nfs/dbraw/zinc/98/26/52/383982652.db2.gz VUNHNOCMQHYTNC-LLVKDONJSA-N 1 0 218.300 1.477 50 0 BDAARO COc1ccc(CCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000050228681 383983151 /nfs/dbraw/zinc/98/31/51/383983151.db2.gz PHLIIMXREKJTIA-GFCCVEGCSA-N 1 0 248.326 1.187 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000050228608 383983246 /nfs/dbraw/zinc/98/32/46/383983246.db2.gz RZFSCNUSBRWNDE-QMMMGPOBSA-N 1 0 224.691 1.513 50 0 BDAARO COc1ncccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000050269133 383992638 /nfs/dbraw/zinc/99/26/38/383992638.db2.gz UFPRFTQZCBROJD-GFCCVEGCSA-N 1 0 234.299 1.873 50 0 BDAARO Cc1cc(C)c(OCC[NH2+]CCO)c(Cl)c1 ZINC000002931006 383992776 /nfs/dbraw/zinc/99/27/76/383992776.db2.gz UZBVAJYKSYTQAI-UHFFFAOYSA-N 1 0 243.734 1.918 50 0 BDAARO C[n+]1cccc(I)c1 ZINC000002388317 383962334 /nfs/dbraw/zinc/96/23/34/383962334.db2.gz MVBDRXROBNCUDL-UHFFFAOYSA-N 1 0 220.033 1.116 50 0 BDAARO Cc1ccnc(-c2cccc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067947776 383962737 /nfs/dbraw/zinc/96/27/37/383962737.db2.gz UAHUYPCJJOBOMQ-LLVKDONJSA-N 1 0 241.294 1.714 50 0 BDAARO CC[C@H]1CN(C(=O)CCc2cccnc2)CC[NH2+]1 ZINC000067982013 383966256 /nfs/dbraw/zinc/96/62/56/383966256.db2.gz GJAMUHTXYINCFR-ZDUSSCGKSA-N 1 0 247.342 1.225 50 0 BDAARO CCc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050393920 384016946 /nfs/dbraw/zinc/01/69/46/384016946.db2.gz KXQSOWLRHDTCEG-ZDUSSCGKSA-N 1 0 232.327 1.617 50 0 BDAARO CCc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050393918 384017835 /nfs/dbraw/zinc/01/78/35/384017835.db2.gz KXQSOWLRHDTCEG-CYBMUJFWSA-N 1 0 232.327 1.617 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CCCOC1 ZINC000309573764 384028740 /nfs/dbraw/zinc/02/87/40/384028740.db2.gz OICZKMBJCFDHAR-RWMBFGLXSA-N 1 0 226.364 1.485 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000135095997 384034614 /nfs/dbraw/zinc/03/46/14/384034614.db2.gz DCZNMGLJXQIYNR-DCAQKATOSA-N 1 0 244.404 1.571 50 0 BDAARO CN1C(=O)c2ccccc2C12CC[NH2+]CC2 ZINC000038859077 384097052 /nfs/dbraw/zinc/09/70/52/384097052.db2.gz GVYSKSPENJXYRW-UHFFFAOYSA-N 1 0 216.284 1.351 50 0 BDAARO [NH3+]C[C@@H](O)COc1ccccc1Br ZINC000005515054 384118380 /nfs/dbraw/zinc/11/83/80/384118380.db2.gz WYHLRZQZSFTKEC-SSDOTTSWSA-N 1 0 246.104 1.148 50 0 BDAARO Cc1nc(C[N@H+]2C[C@@H](C)[C@@](C)(O)C2)sc1C ZINC000091645917 384136680 /nfs/dbraw/zinc/13/66/80/384136680.db2.gz IKDRRTMATLCXRM-PELKAZGASA-N 1 0 240.372 1.963 50 0 BDAARO C[NH2+][C@H](CN1CCCC1)C1CCOCC1 ZINC000039982817 384124344 /nfs/dbraw/zinc/12/43/44/384124344.db2.gz NNOWKUNCHNLIAZ-GFCCVEGCSA-N 1 0 212.337 1.097 50 0 BDAARO [NH3+]CCc1csc(-c2ccccn2)n1 ZINC000005771480 384130981 /nfs/dbraw/zinc/13/09/81/384130981.db2.gz UWCUIBLLIAQAIR-UHFFFAOYSA-N 1 0 205.286 1.706 50 0 BDAARO CN(Cc1ncc[nH]1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000071715238 384175300 /nfs/dbraw/zinc/17/53/00/384175300.db2.gz VYWFEZDSPALOKJ-GFCCVEGCSA-N 1 0 244.298 1.068 50 0 BDAARO [NH3+][C@H]1COc2cc(F)c(Br)cc21 ZINC000116924304 384159073 /nfs/dbraw/zinc/15/90/73/384159073.db2.gz UDMDMXVIJMFYRG-ZETCQYMHSA-N 1 0 232.052 1.980 50 0 BDAARO COC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000071910303 384161291 /nfs/dbraw/zinc/16/12/91/384161291.db2.gz LTOHRHQKQDQRDC-RYUDHWBXSA-N 1 0 215.337 1.504 50 0 BDAARO CCc1ccc([C@H](C)[NH2+]C[C@]2(O)CCOC2)o1 ZINC000090849416 384162952 /nfs/dbraw/zinc/16/29/52/384162952.db2.gz VIUIIMMTMALQRU-GXFFZTMASA-N 1 0 239.315 1.644 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@](F)(C[NH3+])C1 ZINC000072267032 384204289 /nfs/dbraw/zinc/20/42/89/384204289.db2.gz QLSJCALZHFNFAL-LLVKDONJSA-N 1 0 232.299 1.684 50 0 BDAARO Nc1nc([C@@H]2CCC[NH2+]2)cc(C(F)(F)F)n1 ZINC000072343664 384207647 /nfs/dbraw/zinc/20/76/47/384207647.db2.gz SVTJUBVUWZZTMG-YFKPBYRVSA-N 1 0 232.209 1.502 50 0 BDAARO O=Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000009261366 384241038 /nfs/dbraw/zinc/24/10/38/384241038.db2.gz NBHXDQSTKBOKNO-UHFFFAOYSA-N 1 0 219.284 1.974 50 0 BDAARO [NH3+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000008699509 384208800 /nfs/dbraw/zinc/20/88/00/384208800.db2.gz MQEFMQWFYUHRQY-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO Nc1nc([C@H]2CCC[NH2+]C2)cc(C(F)(F)F)n1 ZINC000072343661 384208904 /nfs/dbraw/zinc/20/89/04/384208904.db2.gz BWTXWVARTCQYJP-LURJTMIESA-N 1 0 246.236 1.545 50 0 BDAARO O=C1NCC12CC[NH+](Cc1ccccc1)CC2 ZINC000118771430 384211195 /nfs/dbraw/zinc/21/11/95/384211195.db2.gz DGBWUOGTMKZEEP-UHFFFAOYSA-N 1 0 230.311 1.399 50 0 BDAARO COC(=O)c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782950 384242143 /nfs/dbraw/zinc/24/21/43/384242143.db2.gz KLLRNEGJRXEXSY-CYBMUJFWSA-N 1 0 249.310 1.742 50 0 BDAARO [NH3+]C[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000011920022 384300650 /nfs/dbraw/zinc/30/06/50/384300650.db2.gz CCSZZNDKFJGOFY-QMMMGPOBSA-N 1 0 208.236 1.137 50 0 BDAARO CC[C@H](CNC(=O)c1cnccn1)[NH+]1CCCC1 ZINC000032653702 384342125 /nfs/dbraw/zinc/34/21/25/384342125.db2.gz MZKLHWUJEMGEBM-LLVKDONJSA-N 1 0 248.330 1.081 50 0 BDAARO Cn1cccc1C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000095409667 384374202 /nfs/dbraw/zinc/37/42/02/384374202.db2.gz NHUWSKOLNMMLEN-HUUCEWRRSA-N 1 0 242.322 1.773 50 0 BDAARO C[C@@]1(CO)COCCN1Cc1ccccc1 ZINC000095347850 384369104 /nfs/dbraw/zinc/36/91/04/384369104.db2.gz WBPZLUWUMMIRCP-CYBMUJFWSA-N 1 0 221.300 1.270 50 0 BDAARO CCCc1nccn1CN1CCCCC1=O ZINC000097080626 384324387 /nfs/dbraw/zinc/32/43/87/384324387.db2.gz WAQLLVKWWHEXIO-UHFFFAOYSA-N 1 0 221.304 1.806 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC000095742866 384392785 /nfs/dbraw/zinc/39/27/85/384392785.db2.gz VZWFLFITYZGQKZ-SNVBAGLBSA-N 1 0 228.336 1.901 50 0 BDAARO Fc1ccc(C[NH2+][C@@H]2CCCOC2)nc1 ZINC000335619997 384395411 /nfs/dbraw/zinc/39/54/11/384395411.db2.gz UGISXQUSZPKFTI-LLVKDONJSA-N 1 0 210.252 1.489 50 0 BDAARO COC(=O)c1cccc(OC[C@H]2CCC[NH2+]C2)c1 ZINC000014631212 384399096 /nfs/dbraw/zinc/39/90/96/384399096.db2.gz SOWKIGYTDMMYMG-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO CCCc1ccc([C@@H](C)[NH2+]CC(N)=O)cc1 ZINC000095864186 384401701 /nfs/dbraw/zinc/40/17/01/384401701.db2.gz PGDBGGLNQXTXLK-SNVBAGLBSA-N 1 0 220.316 1.775 50 0 BDAARO [NH3+][C@H]1CCc2nc(Br)sc2C1 ZINC000095830916 384401884 /nfs/dbraw/zinc/40/18/84/384401884.db2.gz BKZWJPJKNKMPQJ-BYPYZUCNSA-N 1 0 233.134 1.722 50 0 BDAARO Cc1ccc2c(c1)C(=O)NC1(CC[NH2+]CC1)O2 ZINC000095919592 384407825 /nfs/dbraw/zinc/40/78/25/384407825.db2.gz MOARGXZIARPHOT-UHFFFAOYSA-N 1 0 232.283 1.197 50 0 BDAARO COC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000056908417 384417900 /nfs/dbraw/zinc/41/79/00/384417900.db2.gz DQOQVKABDMEMEY-ZDUSSCGKSA-N 1 0 220.316 1.940 50 0 BDAARO c1cn(Cc2ccccn2)c([C@H]2CCC[NH2+]C2)n1 ZINC000096032243 384420722 /nfs/dbraw/zinc/42/07/22/384420722.db2.gz LXRFZDFSKFBKCH-LBPRGKRZSA-N 1 0 242.326 1.793 50 0 BDAARO C[C@H](CO)[NH2+][C@H]1CSCCc2ccccc21 ZINC000095420765 384375625 /nfs/dbraw/zinc/37/56/25/384375625.db2.gz OTHBWZCSLCVBSI-MFKMUULPSA-N 1 0 237.368 1.987 50 0 BDAARO CC(C)(C)OC(=O)NCC1([NH3+])CCOCC1 ZINC000095742592 384389665 /nfs/dbraw/zinc/38/96/65/384389665.db2.gz OKKXSYCQUVNYBS-UHFFFAOYSA-N 1 0 230.308 1.019 50 0 BDAARO COC[C@@H](O)C[NH2+][C@H](C)Cc1ccccc1C ZINC000097228422 384452116 /nfs/dbraw/zinc/45/21/16/384452116.db2.gz FZZQYQMZAAONDL-OCCSQVGLSA-N 1 0 237.343 1.523 50 0 BDAARO CCOc1cccc([C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC000096663769 384472190 /nfs/dbraw/zinc/47/21/90/384472190.db2.gz NCURIUZGZLBULX-DGCLKSJQSA-N 1 0 221.300 1.381 50 0 BDAARO [NH3+]Cc1cc2c(cc1-n1cccc1)OCO2 ZINC000000056382 384512009 /nfs/dbraw/zinc/51/20/09/384512009.db2.gz UIVPWDFVPJKUBU-UHFFFAOYSA-N 1 0 216.240 1.665 50 0 BDAARO Cc1ccc(C)c(C[NH+]2CCN(CCO)CC2)c1 ZINC000019606608 384529440 /nfs/dbraw/zinc/52/94/40/384529440.db2.gz ZPTCKONIPWZEPD-UHFFFAOYSA-N 1 0 248.370 1.413 50 0 BDAARO CNc1cc(CC2CC[NH2+]CC2)ncn1 ZINC000019686806 384531404 /nfs/dbraw/zinc/53/14/04/384531404.db2.gz YWUKMFKVXXSZKG-UHFFFAOYSA-N 1 0 206.293 1.060 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000019843367 384546194 /nfs/dbraw/zinc/54/61/94/384546194.db2.gz DKWRQRNCULDABS-ZDUSSCGKSA-N 1 0 204.317 2.000 50 0 BDAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cnc[nH]1 ZINC000097773131 384558758 /nfs/dbraw/zinc/55/87/58/384558758.db2.gz IYWTWDVNYAHENQ-UHFFFAOYSA-N 1 0 247.346 1.814 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000080673399 384574170 /nfs/dbraw/zinc/57/41/70/384574170.db2.gz QYBNDQGUYWSBCD-NSHDSACASA-N 1 0 214.309 1.592 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000050244246 384608826 /nfs/dbraw/zinc/60/88/26/384608826.db2.gz YSMPURKYECKBKX-QMMMGPOBSA-N 1 0 231.221 1.638 50 0 BDAARO C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]1 ZINC000020285690 384609723 /nfs/dbraw/zinc/60/97/23/384609723.db2.gz XWFWZDUHQMTADY-UTLUCORTSA-N 1 0 226.320 1.604 50 0 BDAARO C[C@@H]([NH3+])[C@H](O)c1c(F)cccc1Cl ZINC000020216930 384599358 /nfs/dbraw/zinc/59/93/58/384599358.db2.gz YUONVKUIXPCNAA-ANLVUFKYSA-N 1 0 203.644 1.860 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH2+]CC2)o1 ZINC000020251789 384601925 /nfs/dbraw/zinc/60/19/25/384601925.db2.gz ZXMUDKONXBNYRB-UHFFFAOYSA-N 1 0 208.261 1.070 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000082092315 384644067 /nfs/dbraw/zinc/64/40/67/384644067.db2.gz XMYGQAXKEOMNDO-VWYCJHECSA-N 1 0 240.347 1.899 50 0 BDAARO [NH3+]Cc1nccn1CCc1ccccc1 ZINC000051004271 384655425 /nfs/dbraw/zinc/65/54/25/384655425.db2.gz ZBMPLWZRMFKRRN-UHFFFAOYSA-N 1 0 201.273 1.585 50 0 BDAARO CCC[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000021300722 384660889 /nfs/dbraw/zinc/66/08/89/384660889.db2.gz PYTGOQORCFQPSZ-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO Cc1ccc2c(CN3CC[NH2+]CC3)c[nH]c2c1 ZINC000082601055 384696671 /nfs/dbraw/zinc/69/66/71/384696671.db2.gz ALLLPXDJCBGAPL-UHFFFAOYSA-N 1 0 229.327 1.882 50 0 BDAARO [NH3+]Cc1ccc(NC(=O)c2ccncc2)cc1 ZINC000021956480 384709977 /nfs/dbraw/zinc/70/99/77/384709977.db2.gz WOFMFGNRCVFEBS-UHFFFAOYSA-N 1 0 227.267 1.793 50 0 BDAARO CCOCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647283480 384720243 /nfs/dbraw/zinc/72/02/43/384720243.db2.gz AYIXMGZICWVGOV-NSHDSACASA-N 1 0 237.347 1.907 50 0 BDAARO Fc1ccc(Cc2ncnc3c2C[NH2+]CC3)cc1 ZINC000145388606 384777244 /nfs/dbraw/zinc/77/72/44/384777244.db2.gz GGCVXXYBSJFPBW-UHFFFAOYSA-N 1 0 243.285 1.852 50 0 BDAARO C[C@H]([NH2+]CCc1nnc[nH]1)c1ccc(F)cc1 ZINC000080576441 384729259 /nfs/dbraw/zinc/72/92/59/384729259.db2.gz XQDCEYVIUMCPOV-VIFPVBQESA-N 1 0 234.278 1.837 50 0 BDAARO CCC(CC)[C@H](C[NH3+])N1CCOCC1 ZINC000022921543 384779724 /nfs/dbraw/zinc/77/97/24/384779724.db2.gz JUMTWIVSFPSIQO-NSHDSACASA-N 1 0 200.326 1.082 50 0 BDAARO C[NH2+][C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000053201758 384772917 /nfs/dbraw/zinc/77/29/17/384772917.db2.gz AABMYFLDDQNUME-CQSZACIVSA-N 1 0 230.355 1.838 50 0 BDAARO Cc1cc(-c2ccncc2)nn1CC[NH3+] ZINC000083984880 384826534 /nfs/dbraw/zinc/82/65/34/384826534.db2.gz IYNGLRLXSGZSBL-UHFFFAOYSA-N 1 0 202.261 1.212 50 0 BDAARO Cc1ccc(C[NH2+]CC[S@](C)=O)s1 ZINC000089656593 384791265 /nfs/dbraw/zinc/79/12/65/384791265.db2.gz JZBCZQBWBLLAFU-CYBMUJFWSA-N 1 0 217.359 1.525 50 0 BDAARO C[C@]1(CO)CCC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000230248789 384878676 /nfs/dbraw/zinc/87/86/76/384878676.db2.gz IRTSYWORZNLDOB-DJLDLDEBSA-N 1 0 241.253 1.050 50 0 BDAARO c1ccc(CN2C[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000084237998 384851650 /nfs/dbraw/zinc/85/16/50/384851650.db2.gz BLCVYHKAZCBAKF-OLZOCXBDSA-N 1 0 202.301 1.480 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2c[nH]nc2C)c1 ZINC000105908433 384888997 /nfs/dbraw/zinc/88/89/97/384888997.db2.gz IEDAEGGJHPZIBO-UHFFFAOYSA-N 1 0 219.292 1.013 50 0 BDAARO COc1cccc(C)c1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000583651327 384858808 /nfs/dbraw/zinc/85/88/08/384858808.db2.gz LDMPCSHHKVPCGQ-LLVKDONJSA-N 1 0 248.326 1.311 50 0 BDAARO O=C(OCc1ccccc1)N1CC2(C[NH2+]C2)C1 ZINC000085221605 384928505 /nfs/dbraw/zinc/92/85/05/384928505.db2.gz PUCNIGULRFJAIC-UHFFFAOYSA-N 1 0 232.283 1.228 50 0 BDAARO Cc1ccc(C)n1C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000058331125 384996625 /nfs/dbraw/zinc/99/66/25/384996625.db2.gz BDDNSSDNWLNNDW-LBPRGKRZSA-N 1 0 249.358 1.616 50 0 BDAARO CCCc1nnc(SCC[NH+](C)C)[nH]1 ZINC000058394034 385002017 /nfs/dbraw/zinc/00/20/17/385002017.db2.gz FHHAXROIIUPSGF-UHFFFAOYSA-N 1 0 214.338 1.411 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000255522825 385033214 /nfs/dbraw/zinc/03/32/14/385033214.db2.gz DBIXCYCRBQPHRB-QMAVJUDZSA-N 1 0 248.301 1.646 50 0 BDAARO Cc1csc(N2CC[NH+](C(C)C)CC2)n1 ZINC000061159578 385109548 /nfs/dbraw/zinc/10/95/48/385109548.db2.gz GGSRHKHJTQWKOC-UHFFFAOYSA-N 1 0 225.361 1.982 50 0 BDAARO C[NH2+][C@H](C)[C@H](O)c1ccc2c(c1)CCCO2 ZINC000006468904 385114561 /nfs/dbraw/zinc/11/45/61/385114561.db2.gz NWZPIFDZTSJMEV-RNCFNFMXSA-N 1 0 221.300 1.653 50 0 BDAARO [NH3+]C[C@@H](c1cccc(O)c1)N1CCCC1 ZINC000032021205 385123652 /nfs/dbraw/zinc/12/36/52/385123652.db2.gz NKWGAFYJJLFWOL-LBPRGKRZSA-N 1 0 206.289 1.488 50 0 BDAARO CC[N@H+](CCNc1nc(C)cc(C)n1)C1CC1 ZINC000096458985 385178915 /nfs/dbraw/zinc/17/89/15/385178915.db2.gz JWRLFMNDBFZXFR-UHFFFAOYSA-N 1 0 234.347 1.990 50 0 BDAARO CC(=O)NCC1=CCC[N@H+](CCn2cccc2)C1 ZINC000065490151 385317049 /nfs/dbraw/zinc/31/70/49/385317049.db2.gz HKUBOYQGUHTYIL-UHFFFAOYSA-N 1 0 247.342 1.256 50 0 BDAARO C[NH+](C)C1CCN(c2cnccc2C=O)CC1 ZINC000169725597 385418364 /nfs/dbraw/zinc/41/83/64/385418364.db2.gz JXVZQWZNYOUYQR-UHFFFAOYSA-N 1 0 233.315 1.425 50 0 BDAARO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)o1 ZINC000065624873 385630705 /nfs/dbraw/zinc/63/07/05/385630705.db2.gz PCRRAPRIBRPMAF-GFCCVEGCSA-N 1 0 224.304 1.008 50 0 BDAARO CS[C@@H]1CCC[C@H]1[N@H+](C)CCCO ZINC000229837183 385679060 /nfs/dbraw/zinc/67/90/60/385679060.db2.gz XBHRSXQZFZPHGY-NXEZZACHSA-N 1 0 203.351 1.585 50 0 BDAARO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ncc[nH]1 ZINC000121363257 385839594 /nfs/dbraw/zinc/83/95/94/385839594.db2.gz YUFCFLYKTADWHW-VIFPVBQESA-N 1 0 211.309 1.296 50 0 BDAARO Cc1c[nH]nc1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000216109539 385858983 /nfs/dbraw/zinc/85/89/83/385858983.db2.gz LXSVBBOYTHGOIZ-LBPRGKRZSA-N 1 0 249.358 1.934 50 0 BDAARO COC(=O)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000051854203 386033492 /nfs/dbraw/zinc/03/34/92/386033492.db2.gz QWAXOWXOTWCKTD-SNVBAGLBSA-N 1 0 227.304 1.050 50 0 BDAARO Cc1c[nH+]ccc1N1CCN([C@@H]2CCOC2)CC1 ZINC000366430086 386481988 /nfs/dbraw/zinc/48/19/88/386481988.db2.gz MMTNHTOWPLMQJK-CYBMUJFWSA-N 1 0 247.342 1.301 50 0 BDAARO CC[C@H](NC(=O)CC[NH+](C)C)c1cc(C)ccn1 ZINC000299780683 386489496 /nfs/dbraw/zinc/48/94/96/386489496.db2.gz KZMMZRRDBIBLNE-LBPRGKRZSA-N 1 0 249.358 1.909 50 0 BDAARO COC[C@H](O)C[N@H+](C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000239359624 386541710 /nfs/dbraw/zinc/54/17/10/386541710.db2.gz AEXZOQLIHGGEOU-MROQNXINSA-N 1 0 229.364 1.750 50 0 BDAARO CC[N@H+]1[C@H](C)CN(C(=O)c2cccn2C)C[C@@H]1C ZINC000585130558 386678612 /nfs/dbraw/zinc/67/86/12/386678612.db2.gz ULRNGXACMBYQKB-TXEJJXNPSA-N 1 0 249.358 1.580 50 0 BDAARO Cc1ccc(C)c(CC(=O)N(C)[C@H]2CC[NH2+]C2)c1 ZINC000053142055 386717028 /nfs/dbraw/zinc/71/70/28/386717028.db2.gz OJVGHURJQBZXKS-AWEZNQCLSA-N 1 0 246.354 1.666 50 0 BDAARO CC[NH+](CC)CC(=O)N1CCS[C@H](C)CC1 ZINC000191935909 387228719 /nfs/dbraw/zinc/22/87/19/387228719.db2.gz LWNQAYFSSCVQPR-LLVKDONJSA-N 1 0 244.404 1.682 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000369450157 387197294 /nfs/dbraw/zinc/19/72/94/387197294.db2.gz BOZRNHAQKWLPIJ-OUAUKWLOSA-N 1 0 210.321 1.515 50 0 BDAARO CCCCOCC[NH+]1CCC2(CC1)OCCO2 ZINC000054317027 387386725 /nfs/dbraw/zinc/38/67/25/387386725.db2.gz BBCUBQALPHSXKR-UHFFFAOYSA-N 1 0 243.347 1.642 50 0 BDAARO Cc1cnc(C(C)(C)NCC(=O)N(C)C)s1 ZINC000097374439 387469740 /nfs/dbraw/zinc/46/97/40/387469740.db2.gz GJLFIYSDHIWVGG-UHFFFAOYSA-N 1 0 241.360 1.364 50 0 BDAARO CC[NH+](CC)CCCN1CCC2(C1)OCCO2 ZINC000191570519 387492248 /nfs/dbraw/zinc/49/22/48/387492248.db2.gz TUTYWKUAHLKSMY-UHFFFAOYSA-N 1 0 242.363 1.167 50 0 BDAARO C[S@@](=O)CC[NH2+]Cc1cccs1 ZINC000089493115 387640256 /nfs/dbraw/zinc/64/02/56/387640256.db2.gz MRLBDWMWTVXRGH-LBPRGKRZSA-N 1 0 203.332 1.216 50 0 BDAARO Cc1cc(C)cc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000050245871 177891840 /nfs/dbraw/zinc/89/18/40/177891840.db2.gz SRQBLXNWADZHQH-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO CC[C@@H](C[NH3+])NC(=O)OCc1ccccc1 ZINC000039952286 387847562 /nfs/dbraw/zinc/84/75/62/387847562.db2.gz CWOTXZZMEPSBPP-NSHDSACASA-N 1 0 222.288 1.650 50 0 BDAARO COc1cc(N2CCC([NH+](C)C)CC2)ccc1N ZINC000111049996 387851144 /nfs/dbraw/zinc/85/11/44/387851144.db2.gz STOCRCLYMPKTEC-UHFFFAOYSA-N 1 0 249.358 1.808 50 0 BDAARO Cn1ccnc1CN1CCC[C@](C)(F)C1 ZINC000296035741 387915237 /nfs/dbraw/zinc/91/52/37/387915237.db2.gz NOWFKDXFCJYFNF-NSHDSACASA-N 1 0 211.284 1.744 50 0 BDAARO CC[N@H+](C)CCNC(=O)c1cnc(C)s1 ZINC000065444138 387931070 /nfs/dbraw/zinc/93/10/70/387931070.db2.gz XCRLZRQSSBRPJT-UHFFFAOYSA-N 1 0 227.333 1.133 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)N(C)C ZINC000036864677 387963272 /nfs/dbraw/zinc/96/32/72/387963272.db2.gz UACQNAMHURVIGM-UHFFFAOYSA-N 1 0 224.352 1.456 50 0 BDAARO CCC[C@@](C)([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000036865025 387964117 /nfs/dbraw/zinc/96/41/17/387964117.db2.gz FGBMNGOWFVLSLK-BXKDBHETSA-N 1 0 239.319 1.765 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000082370855 388033128 /nfs/dbraw/zinc/03/31/28/388033128.db2.gz IDQDGCULZZTIBP-RKDXNWHRSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000036949844 388060038 /nfs/dbraw/zinc/06/00/38/388060038.db2.gz SZWJKHVCWYEHOT-MRVPVSSYSA-N 1 0 204.273 1.981 50 0 BDAARO CC(C)CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000065516520 388072743 /nfs/dbraw/zinc/07/27/43/388072743.db2.gz JJLLLFJQXKQHLJ-GFCCVEGCSA-N 1 0 226.364 1.975 50 0 BDAARO COc1nsc(C[NH3+])c1Br ZINC000521398776 256512485 /nfs/dbraw/zinc/51/24/85/256512485.db2.gz ZVFMVQVMIMQSDW-UHFFFAOYSA-N 1 0 223.095 1.373 50 0 BDAARO Cn1nccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000170591271 388238231 /nfs/dbraw/zinc/23/82/31/388238231.db2.gz OSBBWNXONABDTL-UHFFFAOYSA-N 1 0 205.305 1.796 50 0 BDAARO CC(C)n1cncc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132233518 388357418 /nfs/dbraw/zinc/35/74/18/388357418.db2.gz LXNPTQPKXGKTRP-OLZOCXBDSA-N 1 0 248.374 1.790 50 0 BDAARO Cc1ccc(C[NH2+]CC[S@@](C)=O)s1 ZINC000089656594 388358342 /nfs/dbraw/zinc/35/83/42/388358342.db2.gz JZBCZQBWBLLAFU-ZDUSSCGKSA-N 1 0 217.359 1.525 50 0 BDAARO Cc1ccnc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000230166362 388362730 /nfs/dbraw/zinc/36/27/30/388362730.db2.gz KFZXUQOAMHIKAQ-QWHCGFSZSA-N 1 0 246.358 1.706 50 0 BDAARO C[NH+](C)CCCNC(=O)C(Cl)(Cl)Cl ZINC000003098729 388364038 /nfs/dbraw/zinc/36/40/38/388364038.db2.gz JLOXBDRXWIKKPB-UHFFFAOYSA-N 1 0 247.553 1.425 50 0 BDAARO C[NH+](C)CCNC(=O)c1cc(F)cc(F)c1 ZINC000003312694 388372910 /nfs/dbraw/zinc/37/29/10/388372910.db2.gz CUHWOPGICBSNNG-UHFFFAOYSA-N 1 0 228.242 1.256 50 0 BDAARO Cn1cc([C@@H]2CCC[N@@H+]2CCCCO)cn1 ZINC000071797137 388446663 /nfs/dbraw/zinc/44/66/63/388446663.db2.gz BZJZULTYOWCMJH-LBPRGKRZSA-N 1 0 223.320 1.330 50 0 BDAARO O=C1NC[C@@H](c2ccccc2)C12CC[NH2+]CC2 ZINC000039271130 388408957 /nfs/dbraw/zinc/40/89/57/388408957.db2.gz HQXCWUWCXHNQKU-LBPRGKRZSA-N 1 0 230.311 1.270 50 0 BDAARO C[C@@H]1CSCCN1CC[NH+]1CCCCC1 ZINC000172435853 388409741 /nfs/dbraw/zinc/40/97/41/388409741.db2.gz IXWPBOXRVUNLPF-GFCCVEGCSA-N 1 0 228.405 1.910 50 0 BDAARO C[NH+](C)C1CCN(C(=O)c2ccccn2)CC1 ZINC000069351737 388414872 /nfs/dbraw/zinc/41/48/72/388414872.db2.gz GGIVHSRIUPTWHA-UHFFFAOYSA-N 1 0 233.315 1.248 50 0 BDAARO CC(C)[NH+]1CCN(C[C@H]2CCCCO2)CC1 ZINC000069530652 388419488 /nfs/dbraw/zinc/41/94/88/388419488.db2.gz KTTAGWJNVWAQSB-CYBMUJFWSA-N 1 0 226.364 1.582 50 0 BDAARO COC(=O)CC[N@H+](C1CC1)C1CCCC1 ZINC000069537558 388420044 /nfs/dbraw/zinc/42/00/44/388420044.db2.gz UWUBQEGKCFXLQT-UHFFFAOYSA-N 1 0 211.305 1.957 50 0 BDAARO CC[C@@H](CNC(=O)c1ccncc1)[NH+]1CCCC1 ZINC000040522396 388420092 /nfs/dbraw/zinc/42/00/92/388420092.db2.gz HJYUNNDUHKYBKO-ZDUSSCGKSA-N 1 0 247.342 1.686 50 0 BDAARO C[C@H](C(=O)N1CCCC1)[N@H+](C)C[C@@H]1CCCO1 ZINC000069925672 388430928 /nfs/dbraw/zinc/43/09/28/388430928.db2.gz GSPGUBOSBNAXOX-NEPJUHHUSA-N 1 0 240.347 1.108 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)n1C ZINC000070076537 388433995 /nfs/dbraw/zinc/43/39/95/388433995.db2.gz IVEFZAOIRNPYBZ-NXEZZACHSA-N 1 0 235.331 1.156 50 0 BDAARO CN(CCC1CC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000195554620 388482107 /nfs/dbraw/zinc/48/21/07/388482107.db2.gz PRDJTROWDGKLON-ZDUSSCGKSA-N 1 0 232.327 1.945 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CCc2c1cc(F)cc2F ZINC000253432956 388594244 /nfs/dbraw/zinc/59/42/44/388594244.db2.gz QDPMNLKNKMKKAJ-ZCFIWIBFSA-N 1 0 226.226 1.201 50 0 BDAARO Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237523654 388595921 /nfs/dbraw/zinc/59/59/21/388595921.db2.gz CNPYCQVNYIKWNX-SKDRFNHKSA-N 1 0 235.331 1.523 50 0 BDAARO CCO[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)C1(C)C ZINC000236965449 388596180 /nfs/dbraw/zinc/59/61/80/388596180.db2.gz ABGGKUGGXJRVSF-ZJUUUORDSA-N 1 0 240.347 1.140 50 0 BDAARO CCC1(CC)[C@H]([NH2+]C[C@H](C)O)C[C@@H]1OC ZINC000108329829 388619192 /nfs/dbraw/zinc/61/91/92/388619192.db2.gz YKJRALUXLKEMFP-AXFHLTTASA-N 1 0 215.337 1.551 50 0 BDAARO COC(=O)c1cccc2c1C[NH2+]CC2(C)C ZINC000091351962 388626779 /nfs/dbraw/zinc/62/67/79/388626779.db2.gz ABAKCQGVRNKARJ-UHFFFAOYSA-N 1 0 219.284 1.854 50 0 BDAARO COC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000020230849 388759597 /nfs/dbraw/zinc/75/95/97/388759597.db2.gz XXFWNVBCLRIKNP-UHFFFAOYSA-N 1 0 248.326 1.221 50 0 BDAARO CC[C@](C)([NH2+]Cc1ccc(F)cc1)C(N)=O ZINC000095415763 388767814 /nfs/dbraw/zinc/76/78/14/388767814.db2.gz AHBHCVDAGYSXCI-LBPRGKRZSA-N 1 0 224.279 1.569 50 0 BDAARO CSCC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000095435418 388771570 /nfs/dbraw/zinc/77/15/70/388771570.db2.gz QHDYVQAPXXHUFV-UHFFFAOYSA-N 1 0 240.376 1.353 50 0 BDAARO C[C@@H]1CCC[C@H]1[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000095457135 388772920 /nfs/dbraw/zinc/77/29/20/388772920.db2.gz VLKWLIZUPIGMJR-ZYHUDNBSSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000299744533 388844671 /nfs/dbraw/zinc/84/46/71/388844671.db2.gz STSITGIOZTXNJD-BDAKNGLRSA-N 1 0 236.290 1.619 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cscn1 ZINC000097059011 388831622 /nfs/dbraw/zinc/83/16/22/388831622.db2.gz FSNVAGLNXBDYAO-GFCCVEGCSA-N 1 0 239.388 1.915 50 0 BDAARO CC(C)[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000253470908 132303928 /nfs/dbraw/zinc/30/39/28/132303928.db2.gz AELBKUMTXKDLKM-UHFFFAOYSA-N 1 0 240.738 1.660 50 0 BDAARO CCOC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000002540616 132315211 /nfs/dbraw/zinc/31/52/11/132315211.db2.gz OQEHTFFLOHTFSB-UHFFFAOYSA-N 1 0 234.299 1.273 50 0 in-vitro BDAARO COc1ccccc1N1CCN(CCC[NH3+])CC1 ZINC000006275305 132317976 /nfs/dbraw/zinc/31/79/76/132317976.db2.gz OVGGXHMQXIQOBR-UHFFFAOYSA-N 1 0 249.358 1.166 50 0 BDAARO CC[NH+]1CCN(c2ccc(N)cc2C)CC1 ZINC000005926902 132318032 /nfs/dbraw/zinc/31/80/32/132318032.db2.gz JJVFGPRIMUANRY-UHFFFAOYSA-N 1 0 219.332 1.719 50 0 BDAARO Cc1cccc(N2CCN(CCC[NH3+])CC2)c1 ZINC000011805319 132320870 /nfs/dbraw/zinc/32/08/70/132320870.db2.gz DKKAQYKNOCNRSI-UHFFFAOYSA-N 1 0 233.359 1.466 50 0 BDAARO C[NH2+]CC1CCN(c2cncc(C)n2)CC1 ZINC000012370613 132321064 /nfs/dbraw/zinc/32/10/64/132321064.db2.gz JFQVAQFGAKHEBB-UHFFFAOYSA-N 1 0 220.320 1.221 50 0 BDAARO Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000012395397 132321282 /nfs/dbraw/zinc/32/12/82/132321282.db2.gz BYFUTAMCAMZSLX-LLVKDONJSA-N 1 0 235.306 1.692 50 0 BDAARO [NH3+]CC1CCN(c2ncnc3ccsc32)CC1 ZINC000012370760 132321432 /nfs/dbraw/zinc/32/14/32/132321432.db2.gz ZKNFKYHZGAWSEG-UHFFFAOYSA-N 1 0 248.355 1.866 50 0 BDAARO O=C([C@@H]1CCC[NH2+]C1)N1CCCc2ccccc21 ZINC000019410081 132324669 /nfs/dbraw/zinc/32/46/69/132324669.db2.gz FJFSYIMRWLNLSZ-CYBMUJFWSA-N 1 0 244.338 1.965 50 0 BDAARO FC(F)(F)c1cccc(N2CC[NH2+]CC2)n1 ZINC000020246573 132330580 /nfs/dbraw/zinc/33/05/80/132330580.db2.gz IAOMYUZAXMFANI-UHFFFAOYSA-N 1 0 231.221 1.510 50 0 BDAARO NC(=[NH2+])Nc1ccc(N2CCCCC2)cc1 ZINC000029133004 132334270 /nfs/dbraw/zinc/33/42/70/132334270.db2.gz YXYITUUKFWVBKZ-UHFFFAOYSA-N 1 0 218.304 1.982 50 0 BDAARO Cc1cccc(N2CCN(CC[C@@H](C)[NH3+])CC2)c1 ZINC000032627398 132335445 /nfs/dbraw/zinc/33/54/45/132335445.db2.gz GTWNGHGXDIZFTP-CQSZACIVSA-N 1 0 247.386 1.854 50 0 BDAARO C[NH+]1CCN(c2ccc(N)c3cnccc32)CC1 ZINC000035059574 132337331 /nfs/dbraw/zinc/33/73/31/132337331.db2.gz JSBMCQFQUJNWLL-UHFFFAOYSA-N 1 0 242.326 1.569 50 0 BDAARO [NH3+][C@H]1CCCN(c2nccnc2Cl)C1 ZINC000306920694 132390336 /nfs/dbraw/zinc/39/03/36/132390336.db2.gz NLGRMOBVOOYGIS-ZETCQYMHSA-N 1 0 212.684 1.058 50 0 BDAARO CN1c2cc(F)ccc2C(=O)NC12CC[NH2+]CC2 ZINC000070451497 132391144 /nfs/dbraw/zinc/39/11/44/132391144.db2.gz DTALSOKTJLAGPA-UHFFFAOYSA-N 1 0 249.289 1.085 50 0 BDAARO Cc1cc(N2CC[C@@](O)(C(F)F)C2)cc[nH+]1 ZINC000334796505 133747192 /nfs/dbraw/zinc/74/71/92/133747192.db2.gz BNKSEWUVPAALCL-NSHDSACASA-N 1 0 228.242 1.596 50 0 BDAARO Cc1cccc(CN2CC[NH+](C(C)C)CC2)n1 ZINC000335996304 134042218 /nfs/dbraw/zinc/04/22/18/134042218.db2.gz PWVJWJWDKPQXJW-UHFFFAOYSA-N 1 0 233.359 1.916 50 0 BDAARO Cn1ccnc1[C@H]([NH2+]C1CCOCC1)C1CC1 ZINC000183251554 134352690 /nfs/dbraw/zinc/35/26/90/134352690.db2.gz MZSJPQQGOFRIHG-GFCCVEGCSA-N 1 0 235.331 1.640 50 0 BDAARO Cn1ccnc1[C@@H]([NH2+]C1CCOCC1)C1CC1 ZINC000183251570 134352767 /nfs/dbraw/zinc/35/27/67/134352767.db2.gz MZSJPQQGOFRIHG-LBPRGKRZSA-N 1 0 235.331 1.640 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000252172681 135085423 /nfs/dbraw/zinc/08/54/23/135085423.db2.gz RLFHTJXOVOJYET-VWYCJHECSA-N 1 0 210.321 1.433 50 0 BDAARO OC[C@H]1CCC[N@@H+]1C1Cc2ccccc2C1 ZINC000253472667 135126843 /nfs/dbraw/zinc/12/68/43/135126843.db2.gz OJSRQXWPYXTLEU-CYBMUJFWSA-N 1 0 217.312 1.611 50 0 BDAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2CCc3ccncc32)C1 ZINC000335004422 135863508 /nfs/dbraw/zinc/86/35/08/135863508.db2.gz BYTQTIVDQWOKFE-NEPJUHHUSA-N 1 0 245.326 1.488 50 0 BDAARO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000335395869 136092719 /nfs/dbraw/zinc/09/27/19/136092719.db2.gz MEIOUUQRAGVRHK-WAAGHKOSSA-N 1 0 222.263 1.526 50 0 BDAARO CC[C@@]1(C(=O)NC[C@@H](C)SC)CC[NH2+]C1 ZINC000122372280 171195357 /nfs/dbraw/zinc/19/53/57/171195357.db2.gz JJQFPSZRFOBAOO-MWLCHTKSSA-N 1 0 230.377 1.244 50 0 BDAARO Fc1ccc(C[NH2+]CCn2cccn2)cc1F ZINC000042351737 398014102 /nfs/dbraw/zinc/01/41/02/398014102.db2.gz OKHYYSUZFAMCJY-UHFFFAOYSA-N 1 0 237.253 1.951 50 0 BDAARO Cc1[nH+]c(NN)ccc1Br ZINC000065337591 398083314 /nfs/dbraw/zinc/08/33/14/398083314.db2.gz WQIMBATZAFAPJX-UHFFFAOYSA-N 1 0 202.055 1.438 50 0 BDAARO Cc1cnc(C[NH3+])c(Br)c1 ZINC000066322852 398090895 /nfs/dbraw/zinc/09/08/95/398090895.db2.gz YFMTXBJSBXJZKG-UHFFFAOYSA-N 1 0 201.067 1.611 50 0 BDAARO COCCC[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000075606625 398130936 /nfs/dbraw/zinc/13/09/36/398130936.db2.gz PQKHWDNIWZLAJY-QWRGUYRKSA-N 1 0 211.309 1.459 50 0 BDAARO CC(C)C[NH2+]CCCCn1ccccc1=O ZINC000053500458 167002175 /nfs/dbraw/zinc/00/21/75/167002175.db2.gz UQVWBPXVFZZBSJ-UHFFFAOYSA-N 1 0 222.332 1.874 50 0 BDAARO COC[C@H](C)[NH2+]CC1(Cn2ccnc2)CC1 ZINC000065503697 409995107 /nfs/dbraw/zinc/99/51/07/409995107.db2.gz GJRCSFMKESPRTP-NSHDSACASA-N 1 0 223.320 1.288 50 0 BDAARO C[NH+](C)CC(=O)NC(C)(C)c1cccc(F)c1 ZINC000097101880 410055244 /nfs/dbraw/zinc/05/52/44/410055244.db2.gz STMDEJSUSFZZPU-UHFFFAOYSA-N 1 0 238.306 1.739 50 0 BDAARO Brc1ccc2c(c1)C[NH2+]CCO2 ZINC000049453805 166100374 /nfs/dbraw/zinc/10/03/74/166100374.db2.gz HGCKDXTZHNPNKK-UHFFFAOYSA-N 1 0 228.089 1.931 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CC[C@H]([NH3+])C2 ZINC000095627693 166645283 /nfs/dbraw/zinc/64/52/83/166645283.db2.gz CTDSKHCAIGOHQU-VIFPVBQESA-N 1 0 226.320 1.735 50 0 BDAARO CC(C)C[NH2+][C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000020500628 167015416 /nfs/dbraw/zinc/01/54/16/167015416.db2.gz YPRWJIPUSBMUFP-LBPRGKRZSA-N 1 0 246.310 1.564 50 0 BDAARO CC(C)N1CC[C@H]([NH+]2C[C@H]3CC=CC[C@@H]3C2)C1=O ZINC000098016292 167025463 /nfs/dbraw/zinc/02/54/63/167025463.db2.gz IOIARESROGWGMG-MCIONIFRSA-N 1 0 248.370 1.894 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1cc(C)oc1C ZINC000072615542 169779388 /nfs/dbraw/zinc/77/93/88/169779388.db2.gz KNAUCKZVEIKNDC-UHFFFAOYSA-N 1 0 238.331 1.968 50 0 BDAARO CC(C)[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000000056645 167114868 /nfs/dbraw/zinc/11/48/68/167114868.db2.gz JZQKKSLKJUAGIC-NSHDSACASA-N 1 0 248.326 1.906 50 0 fda BDAARO CC(C)OCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000097103542 167246534 /nfs/dbraw/zinc/24/65/34/167246534.db2.gz GMRBZZGAGXJJME-MNOVXSKESA-N 1 0 228.336 1.045 50 0 BDAARO CC(C)OC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000002687829 167261501 /nfs/dbraw/zinc/26/15/01/167261501.db2.gz YRLBHTVMZKMQJZ-HNNXBMFYSA-N 1 0 249.354 1.831 50 0 BDAARO CCSC[C@@H](C)[N@H+](C)C[C@H](O)CC ZINC000107521770 410938941 /nfs/dbraw/zinc/93/89/41/410938941.db2.gz KSADNWKUXKVQRM-NXEZZACHSA-N 1 0 205.367 1.831 50 0 BDAARO CC[NH+](CC)CCCN1CCO[C@@H](C)[C@H]1C ZINC000248954678 411172217 /nfs/dbraw/zinc/17/22/17/411172217.db2.gz BJXFTPPTFODYIE-OLZOCXBDSA-N 1 0 228.380 1.828 50 0 BDAARO C[NH+](C)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000004025291 411188858 /nfs/dbraw/zinc/18/88/58/411188858.db2.gz WOCZPXZIZOLRCA-UHFFFAOYSA-N 1 0 249.310 1.982 50 0 biogenic BDAARO CC(C)(C)c1n[nH]cc1C[NH2+]CCn1ccnc1 ZINC000048707810 411211032 /nfs/dbraw/zinc/21/10/32/411211032.db2.gz KWXMFQXWJCCINF-UHFFFAOYSA-N 1 0 247.346 1.694 50 0 BDAARO CC1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000090850543 167915253 /nfs/dbraw/zinc/91/52/53/167915253.db2.gz AHNGMAKFBVWKAH-PWSUYJOCSA-N 1 0 213.321 1.306 50 0 BDAARO CCCOc1nccnc1N1CC[C@@H]([NH2+]C)C1 ZINC000065269071 411340377 /nfs/dbraw/zinc/34/03/77/411340377.db2.gz WRXLRLPCJQCKID-SNVBAGLBSA-N 1 0 236.319 1.064 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@]1(CO)CCOC1 ZINC000225516132 168103098 /nfs/dbraw/zinc/10/30/98/168103098.db2.gz OEKJLNAVXDTSLS-BFHYXJOUSA-N 1 0 239.359 1.720 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000191121689 168103343 /nfs/dbraw/zinc/10/33/43/168103343.db2.gz HEAGBAXFHQWYDG-XDQVBPFNSA-N 1 0 239.359 1.406 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]CC1(O)CCC(C)CC1 ZINC000097147592 168166702 /nfs/dbraw/zinc/16/67/02/168166702.db2.gz XZTQOWXXFSKASA-OTTFEQOBSA-N 1 0 229.364 1.534 50 0 BDAARO CC1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000004287481 168175175 /nfs/dbraw/zinc/17/51/75/168175175.db2.gz ZDXLYSKUSYNTAK-NSHDSACASA-N 1 0 210.321 1.387 50 0 BDAARO CC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000032668146 168177238 /nfs/dbraw/zinc/17/72/38/168177238.db2.gz LXHSYUBITPRUOW-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO CC1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000040461078 168177809 /nfs/dbraw/zinc/17/78/09/168177809.db2.gz OWZATCSEXBXEGH-GFCCVEGCSA-N 1 0 240.347 1.014 50 0 BDAARO Cc1ncccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659283916 411388239 /nfs/dbraw/zinc/38/82/39/411388239.db2.gz AOCHOTOXPPHHRJ-JTQLQIEISA-N 1 0 237.303 1.081 50 0 BDAARO CCC(=O)N1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000098020400 168224647 /nfs/dbraw/zinc/22/46/47/168224647.db2.gz DSKWGKWTLRJPGE-NSHDSACASA-N 1 0 242.388 1.483 50 0 BDAARO CC[N@@H+]1CC[C@@H](CNCc2ccco2)C1 ZINC000037484191 170007989 /nfs/dbraw/zinc/00/79/89/170007989.db2.gz POVQSJUDYBHBQB-NSHDSACASA-N 1 0 208.305 1.711 50 0 BDAARO CCNC(=O)CC[N@H+](C)Cc1cccnc1 ZINC000095981768 170051083 /nfs/dbraw/zinc/05/10/83/170051083.db2.gz MIYGNMHLLWBHKH-UHFFFAOYSA-N 1 0 221.304 1.040 50 0 BDAARO CC[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000003282477 170109654 /nfs/dbraw/zinc/10/96/54/170109654.db2.gz PGEZELPAXPBYCY-UHFFFAOYSA-N 1 0 210.252 1.051 50 0 BDAARO CC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000039084826 170109744 /nfs/dbraw/zinc/10/97/44/170109744.db2.gz ZXVCULTZOWFSRS-UHFFFAOYSA-N 1 0 200.282 1.215 50 0 BDAARO CC[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000002624972 170119190 /nfs/dbraw/zinc/11/91/90/170119190.db2.gz OCOBXEYZTVBDFP-CYBMUJFWSA-N 1 0 237.343 1.961 50 0 BDAARO CC[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000003327351 170156240 /nfs/dbraw/zinc/15/62/40/170156240.db2.gz NWIGWRRGIBDVBP-SNVBAGLBSA-N 1 0 206.289 1.932 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1ccncc1 ZINC000036667747 170209143 /nfs/dbraw/zinc/20/91/43/170209143.db2.gz RPIXQGXKUHONTA-UHFFFAOYSA-N 1 0 208.261 1.124 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc(F)cc1F ZINC000003678335 170233868 /nfs/dbraw/zinc/23/38/68/170233868.db2.gz VNSICQFDYLZXLG-JTQLQIEISA-N 1 0 229.226 1.918 50 0 BDAARO CCOC(=O)N1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC000000215995 170239936 /nfs/dbraw/zinc/23/99/36/170239936.db2.gz OWVOYDCGWMWYSR-NEPJUHHUSA-N 1 0 240.347 1.949 50 0 BDAARO CCOC(=O)c1noc(-c2cccc(C[NH3+])c2)n1 ZINC000096300662 170309727 /nfs/dbraw/zinc/30/97/27/170309727.db2.gz DMXMQZKCEVZGNU-UHFFFAOYSA-N 1 0 247.254 1.372 50 0 BDAARO CCOC(OCC)[C@H](O)C[NH+](CC)CC ZINC000071774081 170315796 /nfs/dbraw/zinc/31/57/96/170315796.db2.gz SFPZYVBTKKNZCM-SNVBAGLBSA-N 1 0 219.325 1.088 50 0 BDAARO CCOc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019230025 170543114 /nfs/dbraw/zinc/54/31/14/170543114.db2.gz UBALQHBNQQCDGM-UHFFFAOYSA-N 1 0 220.316 1.491 50 0 BDAARO CCOc1ccccc1O[C@H]1CC[NH2+]C1 ZINC000014632116 170597244 /nfs/dbraw/zinc/59/72/44/170597244.db2.gz QRUULZANXZNLHG-JTQLQIEISA-N 1 0 207.273 1.826 50 0 BDAARO CC[N@H+](C)C1(CNc2nccc(N)n2)CCCC1 ZINC000584886976 411851493 /nfs/dbraw/zinc/85/14/93/411851493.db2.gz DLHVLGPUOPGWHT-UHFFFAOYSA-N 1 0 249.362 1.735 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000004837928 170841056 /nfs/dbraw/zinc/84/10/56/170841056.db2.gz TVBHEFDNRRBGAK-NSHDSACASA-N 1 0 209.289 1.556 50 0 BDAARO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000245225265 171042687 /nfs/dbraw/zinc/04/26/87/171042687.db2.gz RAFJKSXQFOUAIH-MXWKQRLJSA-N 1 0 210.321 1.433 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@H](C)O1 ZINC000236920572 171067095 /nfs/dbraw/zinc/06/70/95/171067095.db2.gz ZJKDRENIGAOQQI-TUAOUCFPSA-N 1 0 242.363 1.386 50 0 BDAARO CC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)CCS1 ZINC000096441726 171076414 /nfs/dbraw/zinc/07/64/14/171076414.db2.gz JUTDHZISTZTFAD-LLVKDONJSA-N 1 0 242.388 1.435 50 0 BDAARO CC[C@@](C)([NH3+])c1nc2c(c(=O)[nH]1)CCCC2 ZINC000068577574 171172071 /nfs/dbraw/zinc/17/20/71/171172071.db2.gz AFDFNFWYMOYNAG-GFCCVEGCSA-N 1 0 221.304 1.233 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492129 171476432 /nfs/dbraw/zinc/47/64/32/171476432.db2.gz QZSORLYDQCTQDM-NSHDSACASA-N 1 0 238.356 1.976 50 0 BDAARO CCc1ccc([C@@H](C[NH3+])N2CCOCC2)cc1 ZINC000019796037 171833531 /nfs/dbraw/zinc/83/35/31/171833531.db2.gz BVXQIQGMNYWIPW-CQSZACIVSA-N 1 0 234.343 1.581 50 0 BDAARO CCc1ncc(CN2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000216229900 172016371 /nfs/dbraw/zinc/01/63/71/172016371.db2.gz AGRZVKFYENYRBV-ZDUSSCGKSA-N 1 0 248.374 1.565 50 0 BDAARO CCc1noc(CC)c1C[NH2+][C@@H](C)CC(N)=O ZINC000095969153 172084001 /nfs/dbraw/zinc/08/40/01/172084001.db2.gz DOLMNYMWRMRPIJ-QMMMGPOBSA-N 1 0 239.319 1.153 50 0 BDAARO CCn1c(C)[n+](CC)c2cc(N)ccc21 ZINC000012341521 172134933 /nfs/dbraw/zinc/13/49/33/172134933.db2.gz WQXHREKNWRUNNU-UHFFFAOYSA-N 1 0 204.297 1.859 50 0 BDAARO CCn1c2ccccc2nc1NCCO ZINC000012631501 172145828 /nfs/dbraw/zinc/14/58/28/172145828.db2.gz QHZCFFWOJSZWPD-UHFFFAOYSA-N 1 0 205.261 1.460 50 0 BDAARO CCn1c2ccccc2nc1NCCCO ZINC000016319765 172146559 /nfs/dbraw/zinc/14/65/59/172146559.db2.gz XZQRZLSYXRJVPG-UHFFFAOYSA-N 1 0 219.288 1.851 50 0 BDAARO CCn1cc([C@H](O)C[NH2+]Cc2ccccc2)cn1 ZINC000096300605 172198624 /nfs/dbraw/zinc/19/86/24/172198624.db2.gz RTMDUWKNXQWQAN-CQSZACIVSA-N 1 0 245.326 1.726 50 0 BDAARO CCn1nc(C)c2ncnc(NCC[NH+](C)C)c21 ZINC000057280083 172249341 /nfs/dbraw/zinc/24/93/41/172249341.db2.gz TZUAEFOWUOORKK-UHFFFAOYSA-N 1 0 248.334 1.128 50 0 BDAARO CN(C)C(=O)C(C)(C)[NH2+][C@@H]1C=CCCC1 ZINC000071907796 172353122 /nfs/dbraw/zinc/35/31/22/172353122.db2.gz CKAABDUZDOAMAT-SNVBAGLBSA-N 1 0 210.321 1.552 50 0 BDAARO CN(C)C(=O)C[N@H+](C)C1CCCCCC1 ZINC000053906675 172362688 /nfs/dbraw/zinc/36/26/88/172362688.db2.gz WJOBSXAZDFBMJK-UHFFFAOYSA-N 1 0 212.337 1.729 50 0 BDAARO C[NH+](C)C(C)(C)CNC(=O)CCc1ccco1 ZINC000040654620 172393909 /nfs/dbraw/zinc/39/39/09/172393909.db2.gz KAEHQNFXANGQPC-UHFFFAOYSA-N 1 0 238.331 1.669 50 0 BDAARO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000225448970 172521984 /nfs/dbraw/zinc/52/19/84/172521984.db2.gz CVRRCKSRMNPDFG-VXGBXAGGSA-N 1 0 240.347 1.108 50 0 BDAARO C[NH+](C)[C@H]1CN(Cc2ccccn2)C[C@@H]1C1CC1 ZINC000091644135 172541042 /nfs/dbraw/zinc/54/10/42/172541042.db2.gz WGIDCXDZEROEEM-CABCVRRESA-N 1 0 245.370 1.854 50 0 BDAARO C[N@@H+]1CCCN(C(=O)Cc2cccs2)CC1 ZINC000006725993 173012692 /nfs/dbraw/zinc/01/26/92/173012692.db2.gz UEUAQBDGTGXKGQ-UHFFFAOYSA-N 1 0 238.356 1.455 50 0 BDAARO C[N@@H+]1CCCN(c2ncnc3sccc32)CC1 ZINC000006559735 173019813 /nfs/dbraw/zinc/01/98/13/173019813.db2.gz GMZJCSNOQWCVGY-UHFFFAOYSA-N 1 0 248.355 1.833 50 0 BDAARO C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000012057372 173037164 /nfs/dbraw/zinc/03/71/64/173037164.db2.gz GTYSNOQUAYECTF-CQSZACIVSA-N 1 0 219.328 1.933 50 0 BDAARO CNC(=O)CC[N@H+](C)Cc1ccc(C(C)=O)cc1 ZINC000067966690 173249749 /nfs/dbraw/zinc/24/97/49/173249749.db2.gz DDHRNUNJIVBFMZ-UHFFFAOYSA-N 1 0 248.326 1.457 50 0 BDAARO CNC(=O)CCc1cc(C)nc([C@@H]2CCC[NH2+]2)c1 ZINC000072344284 173263899 /nfs/dbraw/zinc/26/38/99/173263899.db2.gz RTXSMCSBONRABR-LBPRGKRZSA-N 1 0 247.342 1.493 50 0 BDAARO CNC(=O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000071915933 173269070 /nfs/dbraw/zinc/26/90/70/173269070.db2.gz CPLPHPVDADSSOB-GFCCVEGCSA-N 1 0 234.343 1.604 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010087533 173274029 /nfs/dbraw/zinc/27/40/29/173274029.db2.gz XACZRIKSOXARDD-LBPRGKRZSA-N 1 0 218.300 1.570 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010087528 173274327 /nfs/dbraw/zinc/27/43/27/173274327.db2.gz XACZRIKSOXARDD-GFCCVEGCSA-N 1 0 218.300 1.570 50 0 BDAARO CNC(=O)NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000014705169 173286503 /nfs/dbraw/zinc/28/65/03/173286503.db2.gz YMJYTJPQNAEHEI-UHFFFAOYSA-N 1 0 241.335 1.097 50 0 BDAARO CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032843700 173288806 /nfs/dbraw/zinc/28/88/06/173288806.db2.gz YCESGSGSKWSGFX-UHFFFAOYSA-N 1 0 247.342 1.580 50 0 BDAARO C[NH2+]CCCOc1cccc(S(C)(=O)=O)c1 ZINC000037370005 173350071 /nfs/dbraw/zinc/35/00/71/173350071.db2.gz OMAFAKOQKKKBCD-UHFFFAOYSA-N 1 0 243.328 1.078 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC000148833326 173364112 /nfs/dbraw/zinc/36/41/12/173364112.db2.gz FWCRWIPSISZMAB-SECBINFHSA-N 1 0 238.306 1.719 50 0 BDAARO C[NH2+]Cc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000050478949 173384648 /nfs/dbraw/zinc/38/46/48/173384648.db2.gz ZGUAJIMDRDBYLF-UHFFFAOYSA-N 1 0 205.236 1.935 50 0 BDAARO C[NH2+]Cc1c(Cl)nc2sccn12 ZINC000012505831 173384735 /nfs/dbraw/zinc/38/47/35/173384735.db2.gz VOTYHCIVROFUSU-UHFFFAOYSA-N 1 0 201.682 1.769 50 0 BDAARO C[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000004593487 173387190 /nfs/dbraw/zinc/38/71/90/173387190.db2.gz IFSPQHGBQZJQKN-UHFFFAOYSA-N 1 0 211.261 1.432 50 0 BDAARO C[NH2+]Cc1ccc(OC2CCOCC2)cc1 ZINC000012370476 173388578 /nfs/dbraw/zinc/38/85/78/173388578.db2.gz BIMJTFGNKMMZOM-UHFFFAOYSA-N 1 0 221.300 1.964 50 0 BDAARO C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000004218791 173393035 /nfs/dbraw/zinc/39/30/35/173393035.db2.gz GNNFYIHJZHYNQJ-UHFFFAOYSA-N 1 0 201.273 1.651 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc(C)cc2)no1 ZINC000004843328 173395041 /nfs/dbraw/zinc/39/50/41/173395041.db2.gz HRSLVDHYQYLWCS-UHFFFAOYSA-N 1 0 203.245 1.764 50 0 BDAARO COC(=O)c1ccccc1[C@@H]1CCC[NH2+]1 ZINC000044135346 173900432 /nfs/dbraw/zinc/90/04/32/173900432.db2.gz SZYXCHSJJHPQQX-NSHDSACASA-N 1 0 205.257 1.898 50 0 BDAARO COCCC[N@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000049331897 174219944 /nfs/dbraw/zinc/21/99/44/174219944.db2.gz URXBWNDADUCGMZ-LBPRGKRZSA-N 1 0 236.315 1.181 50 0 BDAARO COCCC[N@H+](CCO)Cc1ccccc1 ZINC000050515125 174224155 /nfs/dbraw/zinc/22/41/55/174224155.db2.gz YEQPAISYEUIZES-UHFFFAOYSA-N 1 0 223.316 1.517 50 0 BDAARO COCCCN1CC[NH+](CCC(C)C)CC1 ZINC000047867728 174230644 /nfs/dbraw/zinc/23/06/44/174230644.db2.gz WRJCPJVPIHYLNR-UHFFFAOYSA-N 1 0 228.380 1.687 50 0 BDAARO COCCCNC(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000068334635 174242526 /nfs/dbraw/zinc/24/25/26/174242526.db2.gz XJDKLDNOKSLVSE-LLVKDONJSA-N 1 0 230.352 1.115 50 0 BDAARO COCCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000008728597 174248498 /nfs/dbraw/zinc/24/84/98/174248498.db2.gz KLKCCXUPKWAKKI-UHFFFAOYSA-N 1 0 239.315 1.830 50 0 BDAARO COCC[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC000230025972 174304288 /nfs/dbraw/zinc/30/42/88/174304288.db2.gz BPIVSDRLPPGKPW-GHMZBOCLSA-N 1 0 211.305 1.466 50 0 BDAARO COCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000054187841 174309384 /nfs/dbraw/zinc/30/93/84/174309384.db2.gz CGGUNUQYGHLYCT-UHFFFAOYSA-N 1 0 240.391 1.831 50 0 BDAARO COCC[N@@H+]1CC[C@H](OC(C)=O)[C@H](C)[C@@H]1C 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/nfs/dbraw/zinc/10/98/92/175109892.db2.gz UVRVRMDWJNKPEL-OAHLLOKOSA-N 1 0 246.354 1.879 50 0 BDAARO COc1ccc([C@@H](N)CC[NH+](C)C)cc1 ZINC000020274039 175178915 /nfs/dbraw/zinc/17/89/15/175178915.db2.gz XLXASEROEWXCOV-LBPRGKRZSA-N 1 0 208.305 1.647 50 0 BDAARO COc1ccc([C@H](C)[NH2+]CCO)cc1OC ZINC000004476037 175188853 /nfs/dbraw/zinc/18/88/53/175188853.db2.gz UQCQYMRNXYGRGR-VIFPVBQESA-N 1 0 225.288 1.347 50 0 BDAARO COc1ccc([C@H]([NH3+])CCO)cc1OC ZINC000002530232 175192301 /nfs/dbraw/zinc/19/23/01/175192301.db2.gz LIVKGYIUNICCIZ-SECBINFHSA-N 1 0 211.261 1.086 50 0 BDAARO COc1cccc(CSCC[NH3+])c1OC ZINC000095704902 175270958 /nfs/dbraw/zinc/27/09/58/175270958.db2.gz HQNDVGUAKKAENK-UHFFFAOYSA-N 1 0 227.329 1.896 50 0 BDAARO COc1ccc2c(c1)n(O)c(C)c(C(C)=O)[n+]2=O ZINC000103939303 175219048 /nfs/dbraw/zinc/21/90/48/175219048.db2.gz JXQMFUBDJFDFHW-UHFFFAOYSA-N 1 0 249.246 1.313 50 0 BDAARO COc1cccc(-c2n[nH]cc2C[NH3+])c1 ZINC000082639302 175236807 /nfs/dbraw/zinc/23/68/07/175236807.db2.gz VIHVIAPBWIPZED-UHFFFAOYSA-N 1 0 203.245 1.544 50 0 BDAARO COc1cccc(-c2nnc(CC[NH3+])o2)c1 ZINC000011585775 175237991 /nfs/dbraw/zinc/23/79/91/175237991.db2.gz IKUUINFGOYRTSI-UHFFFAOYSA-N 1 0 219.244 1.246 50 0 BDAARO COc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000020182499 175243916 /nfs/dbraw/zinc/24/39/16/175243916.db2.gz JAZGAUWYOKOGKM-UHFFFAOYSA-N 1 0 248.326 1.506 50 0 BDAARO COc1cccc(C[N@H+](CC(N)=O)C(C)C)c1 ZINC000007443054 175257119 /nfs/dbraw/zinc/25/71/19/175257119.db2.gz SHCZUKYGHYYWAI-UHFFFAOYSA-N 1 0 236.315 1.391 50 0 BDAARO COc1cccc(CN2CC[NH2+]CC2)c1 ZINC000019268506 175258637 /nfs/dbraw/zinc/25/86/37/175258637.db2.gz BYWNAISVQHRFEE-UHFFFAOYSA-N 1 0 206.289 1.100 50 0 BDAARO COc1cccc(CO[C@H]2CC[NH2+]C2)c1 ZINC000042782994 175269907 /nfs/dbraw/zinc/26/99/07/175269907.db2.gz QJUMOAJTJOCNAT-LBPRGKRZSA-N 1 0 207.273 1.574 50 0 BDAARO COc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000039348974 175275783 /nfs/dbraw/zinc/27/57/83/175275783.db2.gz MVONHRDMOWJDGW-PHIMTYICSA-N 1 0 218.300 1.351 50 0 BDAARO COc1cccc([C@@H]2C[NH2+]CCN2C)c1 ZINC000020268287 175290960 /nfs/dbraw/zinc/29/09/60/175290960.db2.gz MYQFVCUGJCCAJB-LBPRGKRZSA-N 1 0 206.289 1.271 50 0 BDAARO COc1cccc([C@H]2CC[NH2+]C2)c1OC ZINC000019088860 175295772 /nfs/dbraw/zinc/29/57/72/175295772.db2.gz HEPGYNRBQZZNML-VIFPVBQESA-N 1 0 207.273 1.781 50 0 BDAARO COc1ccccc1[C@H](C)N1CC[NH2+]CC1 ZINC000020264305 175350876 /nfs/dbraw/zinc/35/08/76/175350876.db2.gz SCYBWJSKOWKSRR-NSHDSACASA-N 1 0 220.316 1.661 50 0 BDAARO COc1nc(-[n+]2ccc(C)cc2)c(C=O)s1 ZINC000001249916 175388629 /nfs/dbraw/zinc/38/86/29/175388629.db2.gz JEFAPRYFECAPQS-UHFFFAOYSA-N 1 0 235.288 1.549 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000048045961 175811103 /nfs/dbraw/zinc/81/11/03/175811103.db2.gz WTRLYNKEEJOIGJ-BDAKNGLRSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@@H]1CCSCC[N@@H+]1C[C@@H]1CCCO1 ZINC000241132731 176194000 /nfs/dbraw/zinc/19/40/00/176194000.db2.gz JLGFJWWNVNCKCM-MNOVXSKESA-N 1 0 215.362 1.993 50 0 BDAARO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000076051031 176242059 /nfs/dbraw/zinc/24/20/59/176242059.db2.gz TUFQDSFFIVZTOA-ZJUUUORDSA-N 1 0 212.337 1.441 50 0 BDAARO C[C@@H]1C[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000022014550 176269112 /nfs/dbraw/zinc/26/91/12/176269112.db2.gz YRQCJPVAIPXQDQ-YPMHNXCESA-N 1 0 205.301 1.846 50 0 BDAARO C[C@@H]1C[NH+](C[C@@H]2COC(C)(C)O2)C[C@@H](C)O1 ZINC000020445068 176297287 /nfs/dbraw/zinc/29/72/87/176297287.db2.gz RVQLCYUNCUDMJE-GMTAPVOTSA-N 1 0 229.320 1.247 50 0 BDAARO C[C@@H]1C[N@H+](Cc2cccnc2)C[C@]1(C)O ZINC000091690772 176307467 /nfs/dbraw/zinc/30/74/67/176307467.db2.gz YMEXASPVMUKYFA-PWSUYJOCSA-N 1 0 206.289 1.284 50 0 BDAARO C[C@@H]1CN(Cc2nc3ccccc3[nH]2)CC[NH2+]1 ZINC000022122104 176312054 /nfs/dbraw/zinc/31/20/54/176312054.db2.gz NBPBYFYULCGUCN-SNVBAGLBSA-N 1 0 230.315 1.357 50 0 BDAARO C[C@@H]1C[NH2+]C(C)(C)CN1C(=O)OC(C)(C)C ZINC000034521492 176324688 /nfs/dbraw/zinc/32/46/88/176324688.db2.gz RFKDQNITCIOVID-SECBINFHSA-N 1 0 228.336 1.994 50 0 BDAARO C[C@@H]1C[C@@H]([NH+]2CCCCCCC2)C(=O)O1 ZINC000069658461 176372453 /nfs/dbraw/zinc/37/24/53/176372453.db2.gz GWLINXJLVCCKFQ-GHMZBOCLSA-N 1 0 211.305 1.957 50 0 BDAARO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC000135232765 176660054 /nfs/dbraw/zinc/66/00/54/176660054.db2.gz QRYKNOVIIIQFBG-MRVPVSSYSA-N 1 0 242.269 1.313 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000019473279 177072915 /nfs/dbraw/zinc/07/29/15/177072915.db2.gz UGNDVMGUDTUVJF-GXTWGEPZSA-N 1 0 246.354 1.957 50 0 BDAARO C[C@H]1CCC[N@H+](CCNC(=O)c2cccnc2)C1 ZINC000046880384 177097229 /nfs/dbraw/zinc/09/72/29/177097229.db2.gz SLXCAOCEZOZZPW-LBPRGKRZSA-N 1 0 247.342 1.543 50 0 BDAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccoc2)C1 ZINC000046879238 177098697 /nfs/dbraw/zinc/09/86/97/177098697.db2.gz CZJUIYSPKQIAEM-NSHDSACASA-N 1 0 236.315 1.741 50 0 BDAARO C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000034858382 177105414 /nfs/dbraw/zinc/10/54/14/177105414.db2.gz PWXKZEOYIGIWCG-AAEUAGOBSA-N 1 0 232.327 1.945 50 0 BDAARO C[C@H]1CCC[C@H]1[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000095457136 177140482 /nfs/dbraw/zinc/14/04/82/177140482.db2.gz VLKWLIZUPIGMJR-CMPLNLGQSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@H]1CC[NH2+]CCN1C(=O)OC(C)(C)C ZINC000082370849 177174365 /nfs/dbraw/zinc/17/43/65/177174365.db2.gz DUYDMHWWVXLFDB-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO C[C@H]1C[N@H+](CCSC(C)(C)C)C[C@@H](CO)O1 ZINC000252499603 177252358 /nfs/dbraw/zinc/25/23/58/177252358.db2.gz SCQRQNCCJODTPG-QWRGUYRKSA-N 1 0 247.404 1.600 50 0 BDAARO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1 ZINC000038338227 177266724 /nfs/dbraw/zinc/26/67/24/177266724.db2.gz WJTCHBVEUFDSIK-NWDGAFQWSA-N 1 0 204.317 1.869 50 0 BDAARO C[C@H]1C[NH+]=C(NCc2cccnc2)S1 ZINC000003103384 177281624 /nfs/dbraw/zinc/28/16/24/177281624.db2.gz RVEFYAJEIWNCLZ-QMMMGPOBSA-N 1 0 207.302 1.663 50 0 BDAARO C[C@H]1C[NH2+]CCN1C[C@H](O)c1ccccc1 ZINC000054374497 177283731 /nfs/dbraw/zinc/28/37/31/177283731.db2.gz OFTPWUUIHZKGMS-AAEUAGOBSA-N 1 0 220.316 1.014 50 0 BDAARO C[C@H]1C[C@@H](O)C[N@@H+]1CC1CC(F)(F)C1 ZINC000307732751 177337396 /nfs/dbraw/zinc/33/73/96/177337396.db2.gz MBPTZZRGCORQTJ-IONNQARKSA-N 1 0 205.248 1.487 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1[NH3+] ZINC000238856905 177420267 /nfs/dbraw/zinc/42/02/67/177420267.db2.gz XPZSDTBGIYPHNS-UTLUCORTSA-N 1 0 228.336 1.979 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)/C=C\c2cccnc2)C1 ZINC000255508704 322932592 /nfs/dbraw/zinc/93/25/92/322932592.db2.gz RIFPLLIEXOXHEJ-ZFDPJTLLSA-N 1 0 245.326 1.163 50 0 BDAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(N)=O ZINC000004023542 487792578 /nfs/dbraw/zinc/79/25/78/487792578.db2.gz RODFWRRWTVZHGA-YPMHNXCESA-N 1 0 245.326 1.681 50 0 biogenic BDAARO C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CN(C)CCO1 ZINC000097103982 487831914 /nfs/dbraw/zinc/83/19/14/487831914.db2.gz KXSABBSWPRZXQW-VXGBXAGGSA-N 1 0 228.380 1.731 50 0 BDAARO Cn1cccc1C[NH2+]CCCNc1ncccn1 ZINC000083474461 487914290 /nfs/dbraw/zinc/91/42/90/487914290.db2.gz XTGNFRXUOVRONS-UHFFFAOYSA-N 1 0 245.330 1.407 50 0 BDAARO O[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000152039423 323106949 /nfs/dbraw/zinc/10/69/49/323106949.db2.gz MNORDEHELRMDCE-JTQLQIEISA-N 1 0 227.254 1.574 50 0 BDAARO c1cnn(CC2(C[NH2+][C@H]3CCSC3)CC2)c1 ZINC000534656749 323157926 /nfs/dbraw/zinc/15/79/26/323157926.db2.gz WXDHHLRNOLIHIU-NSHDSACASA-N 1 0 237.372 1.758 50 0 BDAARO CO[C@H]1C[N@H+](C)C[C@@H]1Nc1nc2ccccc2o1 ZINC000534671567 323158779 /nfs/dbraw/zinc/15/87/79/323158779.db2.gz TVQYUHZSAAVEQK-JQWIXIFHSA-N 1 0 247.298 1.569 50 0 BDAARO COC(C)(C)C[C@H](C)[NH2+]CCc1ncc[nH]1 ZINC000124858309 323172394 /nfs/dbraw/zinc/17/23/94/323172394.db2.gz ADKITEKINRGHBV-JTQLQIEISA-N 1 0 225.336 1.745 50 0 BDAARO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)[S@](C)=O ZINC000090843635 488009839 /nfs/dbraw/zinc/00/98/39/488009839.db2.gz XWDYMQYLCFKLFC-GPCCPHFNSA-N 1 0 217.378 1.922 50 0 BDAARO C[N@@H+]1CCC[C@H](CNc2ccc3nccn3n2)C1 ZINC000091482985 488056700 /nfs/dbraw/zinc/05/67/00/488056700.db2.gz LLZRKOQOPFDJAL-LLVKDONJSA-N 1 0 245.330 1.483 50 0 BDAARO COC[C@H](O)C[N@H+](C)Cc1ccc(C)c(F)c1 ZINC000092256837 488088167 /nfs/dbraw/zinc/08/81/67/488088167.db2.gz SQQHJGUZQXEXTL-GFCCVEGCSA-N 1 0 241.306 1.573 50 0 BDAARO C(Cc1nc(C2CC2)no1)[NH2+][C@H]1CCSC1 ZINC000670439051 487489076 /nfs/dbraw/zinc/48/90/76/487489076.db2.gz VEDZQBQPQMJONR-VIFPVBQESA-N 1 0 239.344 1.585 50 0 BDAARO CNC(=O)C[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000670439885 487489239 /nfs/dbraw/zinc/48/92/39/487489239.db2.gz KFNZMLUUELZMBL-CYBMUJFWSA-N 1 0 236.359 1.945 50 0 BDAARO C/C=C(\C)C[NH+]1CCC(CCC(N)=O)CC1 ZINC000670469347 487523429 /nfs/dbraw/zinc/52/34/29/487523429.db2.gz IQCICRLHYDDESC-QDEBKDIKSA-N 1 0 224.348 1.930 50 0 BDAARO C[N@@H+](CCc1ccncc1)CCN1CCOC1=O ZINC000089346510 490210426 /nfs/dbraw/zinc/21/04/26/490210426.db2.gz DDWRTYWTVUTXPR-UHFFFAOYSA-N 1 0 249.314 1.008 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000066309107 490247336 /nfs/dbraw/zinc/24/73/36/490247336.db2.gz HMLJDLIVSQQLPO-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000152279475 518410060 /nfs/dbraw/zinc/41/00/60/518410060.db2.gz FHMNXXQNHIWCAC-IEHMKBBKSA-N 1 0 248.301 1.789 50 0 BDAARO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000300304490 521049840 /nfs/dbraw/zinc/04/98/40/521049840.db2.gz RYEGYBYUSHFDAF-YPMHNXCESA-N 1 0 243.347 1.829 50 0 BDAARO CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1(C)C ZINC000072511801 521765612 /nfs/dbraw/zinc/76/56/12/521765612.db2.gz ZCYGXJQQPATVKV-OUJBWJOFSA-N 1 0 240.347 1.058 50 0 BDAARO COc1ccc(CCNC(=[NH2+])N[C@H]2C[C@@H]2C)cc1 ZINC000069927206 523952685 /nfs/dbraw/zinc/95/26/85/523952685.db2.gz QZOBASIIJGHBEO-GWCFXTLKSA-N 1 0 247.342 1.760 50 0 BDAARO Cc1cccc(OCC(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178565785 524715648 /nfs/dbraw/zinc/71/56/48/524715648.db2.gz GQZJEXZMTCRUQG-LBPRGKRZSA-N 1 0 248.326 1.181 50 0 BDAARO C[C@@H]1CN(C(=O)c2cncc(F)c2)C[C@H](C)[NH2+]1 ZINC000153427242 524884342 /nfs/dbraw/zinc/88/43/42/524884342.db2.gz MWXZRQPVYDLRDD-DTORHVGOSA-N 1 0 237.278 1.043 50 0 BDAARO Cc1ccccc1C1(C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000299740415 525075465 /nfs/dbraw/zinc/07/54/65/525075465.db2.gz ZLNITAIFIDYFFS-LBPRGKRZSA-N 1 0 244.338 1.586 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CC[C@@H](C[NH3+])C2)o1 ZINC000178546398 525949323 /nfs/dbraw/zinc/94/93/23/525949323.db2.gz NWKWHICJKXETIQ-ZWNMCFTASA-N 1 0 234.299 1.408 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000245501200 526971696 /nfs/dbraw/zinc/97/16/96/526971696.db2.gz BZPGQWQAUFDPSN-GHMZBOCLSA-N 1 0 208.305 1.150 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000158192378 527400941 /nfs/dbraw/zinc/40/09/41/527400941.db2.gz MLANADUCDXKLKG-NSHDSACASA-N 1 0 244.298 1.126 50 0 BDAARO O=C(/C=C/c1ccccc1F)N1CCC[NH2+]CC1 ZINC000390823352 527634992 /nfs/dbraw/zinc/63/49/92/527634992.db2.gz ZWRDQMCWZKBABS-VOTSOKGWSA-N 1 0 248.301 1.661 50 0 BDAARO CC(C)c1ccc(CNC2=[NH+]CCN2)cc1 ZINC000058329407 566280753 /nfs/dbraw/zinc/28/07/53/566280753.db2.gz OWLODGRSHSNDRV-UHFFFAOYSA-N 1 0 217.316 1.859 50 0 BDAARO CCOCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857849045 588912254 /nfs/dbraw/zinc/91/22/54/588912254.db2.gz QTCXNLXIBOFCOA-SNVBAGLBSA-N 1 0 209.293 1.413 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@@H]([NH3+])CN1 ZINC000757213576 586439923 /nfs/dbraw/zinc/43/99/23/586439923.db2.gz PRHBPHJMLSRTCP-GAFUQQFSSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]CC[C@H]1[NH3+] ZINC000757214389 586440078 /nfs/dbraw/zinc/44/00/78/586440078.db2.gz SEBDDRRLCRPNDR-NWDGAFQWSA-N 1 0 230.315 1.276 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1C[NH2+]CC[C@@H]1[NH3+] ZINC000757214390 586440366 /nfs/dbraw/zinc/44/03/66/586440366.db2.gz SEBDDRRLCRPNDR-RYUDHWBXSA-N 1 0 230.315 1.276 50 0 BDAARO C=CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000863970899 589330346 /nfs/dbraw/zinc/33/03/46/589330346.db2.gz YUHFAAKWLMVQFL-WDEREUQCSA-N 1 0 208.305 1.306 50 0 BDAARO Cc1cnccc1CC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000877870935 590433935 /nfs/dbraw/zinc/43/39/35/590433935.db2.gz IVUKWACLMOJZIM-LBPRGKRZSA-N 1 0 247.342 1.047 50 0 BDAARO O=C(NCCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000827763335 592705606 /nfs/dbraw/zinc/70/56/06/592705606.db2.gz PDUBDJJLIQHIPU-ZDUSSCGKSA-N 1 0 247.342 1.130 50 0 BDAARO [NH3+][C@@H](c1ccsc1)[C@@]1(O)CCSC1 ZINC000958528737 635552167 /nfs/dbraw/zinc/55/21/67/635552167.db2.gz TXKHEHSOKFDGFJ-DTWKUNHWSA-N 1 0 215.343 1.616 50 0 BDAARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000097095342 631270378 /nfs/dbraw/zinc/27/03/78/631270378.db2.gz YTHJJLBPWDUKND-NWDGAFQWSA-N 1 0 222.332 1.618 50 0 BDAARO CC(C)(C(=O)NCc1ccno1)[NH+]1CCCC1 ZINC000426490635 635726405 /nfs/dbraw/zinc/72/64/05/635726405.db2.gz OHFQXZNDBZTKKT-UHFFFAOYSA-N 1 0 237.303 1.165 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)[C@@H]1COc2ccccc2O1 ZINC000003683940 633075910 /nfs/dbraw/zinc/07/59/10/633075910.db2.gz OOTZYHQSEVRTER-MFKMUULPSA-N 1 0 237.299 1.185 50 0 BDAARO C[C@@H]1C[N@@H+](CCCc2cn[nH]c2)C[C@H](C)O1 ZINC000020601367 633814153 /nfs/dbraw/zinc/81/41/53/633814153.db2.gz WFICQZKIJPTIAZ-PHIMTYICSA-N 1 0 223.320 1.452 50 0 BDAARO C[C@@]12CC[N@H+](Cc3ncc[nH]3)C[C@@H]1C2(F)F ZINC000298199303 634244929 /nfs/dbraw/zinc/24/49/29/634244929.db2.gz CFCKCHOQWXYSQC-WCBMZHEXSA-N 1 0 227.258 1.887 50 0 BDAARO C[C@]12CC[N@H+](Cc3ncc[nH]3)C[C@H]1C2(F)F ZINC000298199296 634246068 /nfs/dbraw/zinc/24/60/68/634246068.db2.gz CFCKCHOQWXYSQC-SCZZXKLOSA-N 1 0 227.258 1.887 50 0 BDAARO CCCc1ccc2c(n1)CC[C@H]([N@H+](C)CCO)C2 ZINC000299804018 635891166 /nfs/dbraw/zinc/89/11/66/635891166.db2.gz RBIDOPLTLSFMJB-AWEZNQCLSA-N 1 0 248.370 1.816 50 0 BDAARO CC[C@@H]1CCC[N@@H+]([C@@H]2COCC[C@H]2O)C1 ZINC000252370411 636789456 /nfs/dbraw/zinc/78/94/56/636789456.db2.gz XVICTMDAKGGWOA-IJLUTSLNSA-N 1 0 213.321 1.258 50 0 BDAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccccn1 ZINC000089937764 642542673 /nfs/dbraw/zinc/54/26/73/642542673.db2.gz YLFDWYRFWVYNIG-NNNHXZLVSA-N 1 0 245.326 1.257 50 0 BDAARO CCc1csc(CN[C@@H]2CCC[NH2+]C2)n1 ZINC000067956067 642725402 /nfs/dbraw/zinc/72/54/02/642725402.db2.gz LIPFMTLEXGTWHS-SNVBAGLBSA-N 1 0 225.361 1.547 50 0 BDAARO C[C@H]1C[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000084237656 643653715 /nfs/dbraw/zinc/65/37/15/643653715.db2.gz QGYMPOQFLAXXFG-UWVGGRQHSA-N 1 0 228.336 1.981 50 0 BDAARO c1ccc(CN2CCOC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000952986105 644448056 /nfs/dbraw/zinc/44/80/56/644448056.db2.gz HSZFXCXOHYWGQJ-GJZGRUSLSA-N 1 0 246.354 1.497 50 0 BDAARO CC(C)(C)[C@@H]([NH3+])[C@]1(O)CCCSC1 ZINC000958528097 644805715 /nfs/dbraw/zinc/80/57/15/644805715.db2.gz JLMOTGUMWHNTMY-SCZZXKLOSA-N 1 0 203.351 1.618 50 0 BDAARO [NH3+][C@H](C1CCC1)C1(O)CCC2(CC1)OCCO2 ZINC000958528088 644806221 /nfs/dbraw/zinc/80/62/21/644806221.db2.gz JIIMJKIWZBSBTJ-LLVKDONJSA-N 1 0 241.331 1.162 50 0 BDAARO Cc1nc(CC[N@@H+]2CCC[C@H]2CO)c(C)s1 ZINC000020906300 645775341 /nfs/dbraw/zinc/77/53/41/645775341.db2.gz JLGPGLCBAJFDQF-NSHDSACASA-N 1 0 240.372 1.759 50 0 BDAARO C/C=C/CCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000074265714 645830143 /nfs/dbraw/zinc/83/01/43/645830143.db2.gz LHOHNIWHPJIGKD-PYEVWLCESA-N 1 0 239.363 1.736 50 0 BDAARO CC(C)SCC[NH2+][C@H]1CCc2ncnn2C1 ZINC000381351899 710625672 /nfs/dbraw/zinc/62/56/72/710625672.db2.gz BQNDRZFADJZZKD-JTQLQIEISA-N 1 0 240.376 1.324 50 0 BDAARO C[C@@H]1CN(C(=N)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000725325679 710755676 /nfs/dbraw/zinc/75/56/76/710755676.db2.gz AGDWXLMFJKFXKD-OLQVQODUSA-N 1 0 209.215 1.208 50 0 BDAARO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000211672695 957879750 /nfs/dbraw/zinc/87/97/50/957879750.db2.gz HFAZFQJYDPHNQJ-ZJUUUORDSA-N 1 0 228.336 1.899 50 0 BDAARO CCOC(=O)[C@@H]1C[C@H]([NH3+])c2ccccc2N1 ZINC001481528978 961124101 /nfs/dbraw/zinc/12/41/01/961124101.db2.gz KGPKDAXJGDQPLQ-ONGXEEELSA-N 1 0 220.272 1.434 50 0 BDAARO Cc1ccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])nn1 ZINC000585650900 961149725 /nfs/dbraw/zinc/14/97/25/961149725.db2.gz HKVGNPKVGXUFND-JSGCOSHPSA-N 1 0 241.294 1.789 50 0 BDAARO c1cc(OC2CC[NH+]([C@@H]3CCOC3)CC2)ccn1 ZINC000820430505 968472612 /nfs/dbraw/zinc/47/26/12/968472612.db2.gz VYHCNQVZVFKDMA-GFCCVEGCSA-N 1 0 248.326 1.714 50 0 BDAARO CC(C)(C)[C@H](C[NH+]1CCCC1)NS(C)(=O)=O ZINC000820701073 968479645 /nfs/dbraw/zinc/47/96/45/968479645.db2.gz HXNJTFDKGZSXAW-JTQLQIEISA-N 1 0 248.392 1.046 50 0 BDAARO c1cn2nc(O[C@H]3C[NH+]4CCC3CC4)ccc2n1 ZINC000585652113 973918525 /nfs/dbraw/zinc/91/85/25/973918525.db2.gz WESIKWRNHSRKNG-NSHDSACASA-N 1 0 244.298 1.202 50 0 BDAARO c1csc(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC000585652034 973921048 /nfs/dbraw/zinc/92/10/48/973921048.db2.gz UWTQOLOLPFXQGO-VIFPVBQESA-N 1 0 210.302 1.616 50 0 BDAARO Cc1cc(C)nc(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC000585651680 973921671 /nfs/dbraw/zinc/92/16/71/973921671.db2.gz PCBRWCFISHKTLD-LBPRGKRZSA-N 1 0 233.315 1.566 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2ncnc3cc(F)ccc32)C1 ZINC000585655206 973925714 /nfs/dbraw/zinc/92/57/14/973925714.db2.gz WULJNVQFFPQTDC-JTQLQIEISA-N 1 0 247.273 1.852 50 0 BDAARO CC(C)(CNc1ccncc1F)[NH+]1CCCC1 ZINC000952868244 974052328 /nfs/dbraw/zinc/05/23/28/974052328.db2.gz HAMGLRAENQIOBJ-UHFFFAOYSA-N 1 0 237.322 1.929 50 0 BDAARO c1c[nH]c(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000952883037 974063132 /nfs/dbraw/zinc/06/31/32/974063132.db2.gz MEYKHTSGEUZZDU-CYBMUJFWSA-N 1 0 248.374 1.512 50 0 BDAARO [NH3+][C@@H]1CCCN(C2CSCCSC2)C1 ZINC000238679309 983181091 /nfs/dbraw/zinc/18/10/91/983181091.db2.gz OHGKAYHTVKZZGJ-SECBINFHSA-N 1 0 232.418 1.258 50 0 BDAARO CC1(C[NH2+]C2CSCCSC2)COC1 ZINC001506396655 988772025 /nfs/dbraw/zinc/77/20/25/988772025.db2.gz IYOWVYPMNAZAFS-UHFFFAOYSA-N 1 0 233.402 1.461 50 0 BDAARO C[C@H](CCN(C)C(=O)c1cc[nH]c1)[NH+]1CCCC1 ZINC001506413699 988780826 /nfs/dbraw/zinc/78/08/26/988780826.db2.gz UAHODQLQSXAZFQ-GFCCVEGCSA-N 1 0 249.358 1.961 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CCN(C)Cc1cncnc1 ZINC001506427815 988786216 /nfs/dbraw/zinc/78/62/16/988786216.db2.gz SWCNFSSDFNVDIJ-ZDUSSCGKSA-N 1 0 248.374 1.783 50 0 BDAARO Cc1ccc(C[NH2+]CCN2CCOCC2)o1 ZINC000019216661 136208327 /nfs/dbraw/zinc/20/83/27/136208327.db2.gz ZMAIYEWXKQRJJT-UHFFFAOYSA-N 1 0 224.304 1.010 50 0 BDAARO Cc1cc(C[NH2+]Cc2cccnc2C)n(C)n1 ZINC000341346720 178026317 /nfs/dbraw/zinc/02/63/17/178026317.db2.gz PAJVNSFXMUJRFV-UHFFFAOYSA-N 1 0 230.315 1.722 50 0 BDAARO Cc1cc(NC(=O)C[N@@H+](C(C)C)C2CC2)no1 ZINC000032777891 178129531 /nfs/dbraw/zinc/12/95/31/178129531.db2.gz ZNWGQFVRYYYMNZ-UHFFFAOYSA-N 1 0 237.303 1.794 50 0 BDAARO Cc1cc(NC(=O)CN2CCCC[C@@H]2C)on1 ZINC000040477578 178130195 /nfs/dbraw/zinc/13/01/95/178130195.db2.gz RYZOUYAHFKIHMY-JTQLQIEISA-N 1 0 237.303 1.796 50 0 BDAARO CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCCO2)cn1 ZINC000037215343 361753968 /nfs/dbraw/zinc/75/39/68/361753968.db2.gz CMPWKWZXETXJDR-LBPRGKRZSA-N 1 0 237.347 1.907 50 0 BDAARO Cc1cc(OCC[NH+]2CCCCC2)nn1C ZINC000194400924 178211019 /nfs/dbraw/zinc/21/10/19/178211019.db2.gz TWYGDQPMZYFVMD-UHFFFAOYSA-N 1 0 223.320 1.593 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000097159483 398247280 /nfs/dbraw/zinc/24/72/80/398247280.db2.gz ANDZISFBZOQZOI-CYBMUJFWSA-N 1 0 249.289 1.680 50 0 BDAARO Cc1n[nH]cc1CNCC1([NH+](C)C)CCCC1 ZINC000097159431 398247406 /nfs/dbraw/zinc/24/74/06/398247406.db2.gz PHFBMTWPBAQZLM-UHFFFAOYSA-N 1 0 236.363 1.682 50 0 BDAARO Cc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)nn1 ZINC000067739719 178326998 /nfs/dbraw/zinc/32/69/98/178326998.db2.gz GDQUZCUHSLNJAI-NSHDSACASA-N 1 0 241.294 1.714 50 0 BDAARO Cc1ccc(Br)cc1NC(=O)C[NH3+] ZINC000037043909 178362250 /nfs/dbraw/zinc/36/22/50/178362250.db2.gz QUDOYGLLTNTPSV-UHFFFAOYSA-N 1 0 243.104 1.655 50 0 BDAARO Cc1ccc(C(=O)N2CCC([NH3+])CC2)c(C)c1 ZINC000021956826 178384064 /nfs/dbraw/zinc/38/40/64/178384064.db2.gz QCFMQUVSVLOPHR-UHFFFAOYSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@H]2C[NH3+])cc1C ZINC000020182612 178390511 /nfs/dbraw/zinc/39/05/11/178390511.db2.gz YPWGEEDIUWTURE-ZDUSSCGKSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1ccc(C(=O)N2CC[NH2+][C@H](C)C2)cc1F ZINC000088059231 178392286 /nfs/dbraw/zinc/39/22/86/178392286.db2.gz UNBGZVZMEUUEIR-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO Cc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c(C)c1 ZINC000041161778 178394106 /nfs/dbraw/zinc/39/41/06/178394106.db2.gz KTRGVEJRUNOSIM-LBPRGKRZSA-N 1 0 248.326 1.103 50 0 BDAARO CCOc1cc(C(F)(F)F)cnc1C(N)=[NH2+] ZINC000000109651 342674819 /nfs/dbraw/zinc/67/48/19/342674819.db2.gz YOXIEFXNEWNBIW-UHFFFAOYSA-N 1 0 233.193 1.783 50 0 BDAARO CCCCCCOC(=O)CCC(=O)C[NH3+] ZINC000001554392 342702855 /nfs/dbraw/zinc/70/28/55/342702855.db2.gz RYQOILLJDKPETL-UHFFFAOYSA-N 1 0 215.293 1.418 50 0 fda BDAARO [NH3+][C@@H](CO)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000001601471 342705315 /nfs/dbraw/zinc/70/53/15/342705315.db2.gz KCNCKSOQGJUYPZ-GJZGRUSLSA-N 1 0 243.306 1.707 50 0 BDAARO CCCCC[C@H]([NH2+]CCC)[C@@H](O)CO ZINC000002023254 342714741 /nfs/dbraw/zinc/71/47/41/342714741.db2.gz SBFBOWJLXWGTNQ-QWRGUYRKSA-N 1 0 203.326 1.288 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000004202944 342744090 /nfs/dbraw/zinc/74/40/90/342744090.db2.gz MIYUNZAWHSSBPU-SECBINFHSA-N 1 0 214.309 1.653 50 0 BDAARO Cc1ccc(NC2=NC(C)(C)NC(=[NH2+])N2)cc1 ZINC000003886785 342739145 /nfs/dbraw/zinc/73/91/45/342739145.db2.gz YPGKBEFAUYJKSV-UHFFFAOYSA-N 1 0 231.303 1.417 50 0 BDAARO CC[NH+](CC)C[C@@H](O)COc1ccccc1 ZINC000004952190 342754972 /nfs/dbraw/zinc/75/49/72/342754972.db2.gz LEHOQQJTXORYMY-GFCCVEGCSA-N 1 0 223.316 1.768 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000004977716 342755339 /nfs/dbraw/zinc/75/53/39/342755339.db2.gz BHSIHYZSNGOYDV-GFCCVEGCSA-N 1 0 221.300 1.652 50 0 BDAARO O=C(CC[NH+]1CCCC1)Nc1nccs1 ZINC000005605230 342766977 /nfs/dbraw/zinc/76/69/77/342766977.db2.gz QLGCZTXGLAPTGD-UHFFFAOYSA-N 1 0 225.317 1.568 50 0 BDAARO Cn1cnc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000170619835 361886131 /nfs/dbraw/zinc/88/61/31/361886131.db2.gz LMMPEDRYHXYUKL-UHFFFAOYSA-N 1 0 234.347 1.137 50 0 BDAARO C[C@@H](O)CCc1[nH+]c2cc(N)ccc2n1C ZINC000006299070 342776174 /nfs/dbraw/zinc/77/61/74/342776174.db2.gz WZUSJACFSYAJSQ-MRVPVSSYSA-N 1 0 219.288 1.469 50 0 BDAARO CCOc1ccccc1C[NH2+]CCOC ZINC000004700205 342750584 /nfs/dbraw/zinc/75/05/84/342750584.db2.gz VCASLGJOPBKMLL-UHFFFAOYSA-N 1 0 209.289 1.821 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000006626391 342780105 /nfs/dbraw/zinc/78/01/05/342780105.db2.gz SFAIJGZFZQBGLO-GHMZBOCLSA-N 1 0 239.702 1.816 50 0 BDAARO CC(=O)[C@H](C(=O)Nc1ccccc1)[C@H](C)[NH+](C)C ZINC000006929686 342786174 /nfs/dbraw/zinc/78/61/74/342786174.db2.gz DIQROJVJEOVKAC-GXFFZTMASA-N 1 0 248.326 1.780 50 0 BDAARO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COC ZINC000127033799 342815871 /nfs/dbraw/zinc/81/58/71/342815871.db2.gz ZQXZBHQSOXCHBC-VXGBXAGGSA-N 1 0 215.337 1.648 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1N ZINC000008733408 342804126 /nfs/dbraw/zinc/80/41/26/342804126.db2.gz GRBYMPJDJOWNJV-NSHDSACASA-N 1 0 247.342 1.483 50 0 BDAARO CC[C@@H]1CCC[N@@H+]([C@@H]2COCC[C@@H]2O)C1 ZINC000044133792 538987143 /nfs/dbraw/zinc/98/71/43/538987143.db2.gz XVICTMDAKGGWOA-UTUOFQBUSA-N 1 0 213.321 1.258 50 0 BDAARO Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000071440137 361998557 /nfs/dbraw/zinc/99/85/57/361998557.db2.gz SJINSGKPFJPIIE-CHWSQXEVSA-N 1 0 247.342 1.674 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000015440597 342896432 /nfs/dbraw/zinc/89/64/32/342896432.db2.gz JLQUEGAVLHIIBF-JTQLQIEISA-N 1 0 209.245 1.258 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000101346056 398318570 /nfs/dbraw/zinc/31/85/70/398318570.db2.gz VMUXGMBHACBHJJ-LPEHRKFASA-N 1 0 226.320 1.591 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1CO ZINC000097160046 398318637 /nfs/dbraw/zinc/31/86/37/398318637.db2.gz BSQOKDISYCFFIF-UHFFFAOYSA-N 1 0 245.326 1.809 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000015014807 342890627 /nfs/dbraw/zinc/89/06/27/342890627.db2.gz USPVRBVWGQTTLY-MRVPVSSYSA-N 1 0 210.664 1.404 50 0 BDAARO CCCc1nc(C)cc(NCCC[NH3+])n1 ZINC000016489895 342911405 /nfs/dbraw/zinc/91/14/05/342911405.db2.gz XMVFPODZSQSFQQ-UHFFFAOYSA-N 1 0 208.309 1.498 50 0 BDAARO CN(C(=S)NC1CC1)C1CC[NH+](C)CC1 ZINC000059111965 398328266 /nfs/dbraw/zinc/32/82/66/398328266.db2.gz JNQGROPUQWDVLT-UHFFFAOYSA-N 1 0 227.377 1.049 50 0 BDAARO CC(C)CC[N@@H+]1CCc2cncnc2C1 ZINC000069489607 398330170 /nfs/dbraw/zinc/33/01/70/398330170.db2.gz NMPKVHMIXSXRFR-UHFFFAOYSA-N 1 0 205.305 1.881 50 0 BDAARO C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)c1cccnc1 ZINC000124856445 398339086 /nfs/dbraw/zinc/33/90/86/398339086.db2.gz VTQYNTNFMPEQNC-GHMZBOCLSA-N 1 0 233.315 1.005 50 0 BDAARO C([C@@H]1COC2(CCCC2)O1)[NH+]1CCCC1 ZINC000000185903 398332265 /nfs/dbraw/zinc/33/22/65/398332265.db2.gz HMMOFZMGSCGOHZ-LLVKDONJSA-N 1 0 211.305 1.768 50 0 BDAARO C[NH2+]Cc1cnn(-c2cccc(OC)c2)c1 ZINC000019088476 342941397 /nfs/dbraw/zinc/94/13/97/342941397.db2.gz ZGPJXPOICQUTNV-UHFFFAOYSA-N 1 0 217.272 1.600 50 0 BDAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCCCCC1 ZINC000019438315 342948670 /nfs/dbraw/zinc/94/86/70/342948670.db2.gz IOJCWKJNLPDBKG-AWEZNQCLSA-N 1 0 246.354 1.959 50 0 BDAARO CCOc1ccccc1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000019405934 342947741 /nfs/dbraw/zinc/94/77/41/342947741.db2.gz UWECKRSFJSZBOQ-LLVKDONJSA-N 1 0 248.326 1.567 50 0 BDAARO [NH3+][C@@H]1CCCN(CCc2ccccc2)C1 ZINC000019735500 342955310 /nfs/dbraw/zinc/95/53/10/342955310.db2.gz ALZNTTNEPUYCSX-CYBMUJFWSA-N 1 0 204.317 1.652 50 0 BDAARO CCCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000020183590 342974617 /nfs/dbraw/zinc/97/46/17/342974617.db2.gz NHEOGLINPUEVLO-UHFFFAOYSA-N 1 0 220.316 1.774 50 0 BDAARO CC(C)[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020185499 342975306 /nfs/dbraw/zinc/97/53/06/342975306.db2.gz IMUUPJFMASNEJA-JTQLQIEISA-N 1 0 218.304 1.863 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000246948517 342989886 /nfs/dbraw/zinc/98/98/86/342989886.db2.gz RZZMOAWLZHJQET-JVGWCMFKSA-N 1 0 236.359 1.774 50 0 BDAARO COc1ccc([C@H](C)N2CC[NH2+]CC2)cc1 ZINC000020264267 342978897 /nfs/dbraw/zinc/97/88/97/342978897.db2.gz NUEIIUPFZALIBH-NSHDSACASA-N 1 0 220.316 1.661 50 0 BDAARO C[C@H]1C[C@@H]1c1noc(CC2CC[NH2+]CC2)n1 ZINC000086573263 136281014 /nfs/dbraw/zinc/28/10/14/136281014.db2.gz LBBHKSIASQLRNT-WPRPVWTQSA-N 1 0 221.304 1.735 50 0 BDAARO C[NH+]1CCN(C/C=C/c2ccco2)CC1 ZINC000023281293 343271879 /nfs/dbraw/zinc/27/18/79/343271879.db2.gz ICRNIXGMCSLARP-DUXPYHPUSA-N 1 0 206.289 1.540 50 0 BDAARO COC(C)(C)C[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000036781386 343324356 /nfs/dbraw/zinc/32/43/56/343324356.db2.gz YKHYPORDJHBVEE-JTQLQIEISA-N 1 0 230.352 1.304 50 0 BDAARO CN(Cc1nc2ccccc2[nH]1)C1CC[NH2+]CC1 ZINC000036300728 343314587 /nfs/dbraw/zinc/31/45/87/343314587.db2.gz WLKRFXJGMLIMGQ-UHFFFAOYSA-N 1 0 244.342 1.747 50 0 BDAARO O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038478384 343375592 /nfs/dbraw/zinc/37/55/92/343375592.db2.gz FDIWYIFTXYRORN-CHWSQXEVSA-N 1 0 248.301 1.361 50 0 BDAARO Cc1ccc(CC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000050245763 178517061 /nfs/dbraw/zinc/51/70/61/178517061.db2.gz DCENUZYVHFCTIH-ZDUSSCGKSA-N 1 0 232.327 1.345 50 0 BDAARO Cc1nccn1-c1ccc(F)cc1C[NH3+] ZINC000037236873 343340521 /nfs/dbraw/zinc/34/05/21/343340521.db2.gz ZNFIKDPSPZVNOM-UHFFFAOYSA-N 1 0 205.236 1.779 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000037242402 343340974 /nfs/dbraw/zinc/34/09/74/343340974.db2.gz YOGNIRLYJFDRBP-MRVPVSSYSA-N 1 0 228.242 1.825 50 0 BDAARO Clc1cncc(OCC[NH+]2CCCC2)n1 ZINC000040240101 343399022 /nfs/dbraw/zinc/39/90/22/343399022.db2.gz YCTXOVQPGATDBV-UHFFFAOYSA-N 1 0 227.695 1.605 50 0 BDAARO CNC(=O)CCN1CC[C@H](C)C(F)(F)C1 ZINC000335713755 136338245 /nfs/dbraw/zinc/33/82/45/136338245.db2.gz GIHTWYGLUAXVQI-QMMMGPOBSA-N 1 0 220.263 1.100 50 0 BDAARO O=C(OCC[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000042769502 343451176 /nfs/dbraw/zinc/45/11/76/343451176.db2.gz CTODUQLVPPWIBW-LBPRGKRZSA-N 1 0 234.299 1.771 50 0 BDAARO O=C(OCC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000042768459 343451201 /nfs/dbraw/zinc/45/12/01/343451201.db2.gz MTTVICVLCOLFDS-SNVBAGLBSA-N 1 0 223.272 1.969 50 0 BDAARO COc1cc(COC2C[NH2+]C2)cc(OC)c1 ZINC000042770126 343451528 /nfs/dbraw/zinc/45/15/28/343451528.db2.gz KWTFSALTKZHENF-UHFFFAOYSA-N 1 0 223.272 1.192 50 0 BDAARO Fc1ccc(COC[C@H]2CC[NH2+]C2)cc1 ZINC000042771960 343451924 /nfs/dbraw/zinc/45/19/24/343451924.db2.gz NHYKONAQLKVWGK-NSHDSACASA-N 1 0 209.264 1.952 50 0 BDAARO Cn1cnnc1SCC[C@@H]1CCCC[NH2+]1 ZINC000043499386 343475958 /nfs/dbraw/zinc/47/59/58/343475958.db2.gz VFFNYBDIHGROKV-VIFPVBQESA-N 1 0 226.349 1.439 50 0 BDAARO [NH3+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000044659938 343511532 /nfs/dbraw/zinc/51/15/32/343511532.db2.gz IHBAOXCCDNCTLW-WOPDTQHZSA-N 1 0 216.284 1.102 50 0 BDAARO CC(C)n1c(CC[NH3+])nc2cccnc21 ZINC000045796159 343534406 /nfs/dbraw/zinc/53/44/06/343534406.db2.gz YNHXZZYHLXIZFL-UHFFFAOYSA-N 1 0 204.277 1.513 50 0 BDAARO Cc1noc(C)c1C[NH+]1CCC(CO)CC1 ZINC000046091415 343539524 /nfs/dbraw/zinc/53/95/24/343539524.db2.gz WBAVFQVXNRMFMN-UHFFFAOYSA-N 1 0 224.304 1.496 50 0 BDAARO CCCN[C@@H](Cc1ccc(O)cc1)C(=O)OC ZINC000083364756 343586869 /nfs/dbraw/zinc/58/68/69/343586869.db2.gz YNJGMHDOOGKJMX-LBPRGKRZSA-N 1 0 237.299 1.476 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CC[NH2+]C2 ZINC000049581921 343603329 /nfs/dbraw/zinc/60/33/29/343603329.db2.gz UJIOQJJFPYXAEM-UHFFFAOYSA-N 1 0 212.293 1.217 50 0 BDAARO Cc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000032903570 178595008 /nfs/dbraw/zinc/59/50/08/178595008.db2.gz JLPYDFONSCDECC-LBPRGKRZSA-N 1 0 236.290 1.502 50 0 BDAARO c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1CCSC1)C2 ZINC000309593513 343935060 /nfs/dbraw/zinc/93/50/60/343935060.db2.gz HQODKOXYKBHZHH-QWRGUYRKSA-N 1 0 237.372 1.541 50 0 BDAARO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(CO)c1 ZINC000585136569 344148808 /nfs/dbraw/zinc/14/88/08/344148808.db2.gz KZLQSDZAYNIHGK-MFKMUULPSA-N 1 0 248.326 1.049 50 0 BDAARO [NH3+]CCCS(=O)(=O)c1cccc2ccccc21 ZINC000258956014 344517633 /nfs/dbraw/zinc/51/76/33/344517633.db2.gz BNESQXJKGUSPGE-UHFFFAOYSA-N 1 0 249.335 1.962 50 0 BDAARO CCCCCOC(=O)N1CC[NH2+]CC1 ZINC000044122798 344535666 /nfs/dbraw/zinc/53/56/66/344535666.db2.gz BVLHNYHIALZNRG-UHFFFAOYSA-N 1 0 200.282 1.218 50 0 BDAARO [NH3+][C@@H]1CCCN(c2ccc(F)cc2)C1=O ZINC000070061659 537857213 /nfs/dbraw/zinc/85/72/13/537857213.db2.gz KOWYADOCYKQIDR-SNVBAGLBSA-N 1 0 208.236 1.280 50 0 BDAARO O=C1OCC[C@@H]1N1CCCC[C@H]1Cn1cccn1 ZINC000247950168 344986440 /nfs/dbraw/zinc/98/64/40/344986440.db2.gz SGNFAQBESGAYRB-RYUDHWBXSA-N 1 0 249.314 1.053 50 0 BDAARO NC(=[NH2+])c1ccc(-n2cccn2)c(Cl)c1 ZINC000062794346 345465141 /nfs/dbraw/zinc/46/51/41/345465141.db2.gz JLWVYTQNJGYQBU-UHFFFAOYSA-N 1 0 220.663 1.810 50 0 BDAARO Cc1cccc(C(=O)N2CCC[C@H]([NH3+])C2)c1C ZINC000041028133 179008077 /nfs/dbraw/zinc/00/80/77/179008077.db2.gz WHCYOBMPMHFAFD-LBPRGKRZSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1cccc(C(=O)N2CCC[C@H]2C[NH3+])c1C ZINC000096404850 179009389 /nfs/dbraw/zinc/00/93/89/179009389.db2.gz OGLHHUQZYNSRGM-LBPRGKRZSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1cccc(C)c1OCCCN1CC[NH2+]CC1 ZINC000019728660 179046517 /nfs/dbraw/zinc/04/65/17/179046517.db2.gz NYBYNSQDRDHPMS-UHFFFAOYSA-N 1 0 248.370 1.978 50 0 BDAARO Cc1cccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000037719186 179087445 /nfs/dbraw/zinc/08/74/45/179087445.db2.gz HNRMYQCWWZAEJK-ZDUSSCGKSA-N 1 0 232.327 1.753 50 0 BDAARO C[C@H](CNC(=O)c1ccc(F)cc1)C[NH+](C)C ZINC000002873325 346534622 /nfs/dbraw/zinc/53/46/22/346534622.db2.gz BUOZFSYZDODZPO-SNVBAGLBSA-N 1 0 238.306 1.753 50 0 BDAARO Cc1cccc(OCCCN2CC[NH2+]CC2)c1C ZINC000019728662 179164887 /nfs/dbraw/zinc/16/48/87/179164887.db2.gz IVFCTCRRFNNDON-UHFFFAOYSA-N 1 0 248.370 1.978 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C[NH3+] ZINC000097759081 347285654 /nfs/dbraw/zinc/28/56/54/347285654.db2.gz BWXDXUVIZLNSHM-BDAKNGLRSA-N 1 0 214.309 1.448 50 0 BDAARO Cc1ccccc1CC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000091496288 179258867 /nfs/dbraw/zinc/25/88/67/179258867.db2.gz KBXZSDVFUSDXGW-TZMCWYRMSA-N 1 0 246.354 1.794 50 0 BDAARO Cc1ccccc1CCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000051967420 179260102 /nfs/dbraw/zinc/26/01/02/179260102.db2.gz YDDAHMVKEGZMFV-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO C[C@@H](CCCO)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000195553544 347641865 /nfs/dbraw/zinc/64/18/65/347641865.db2.gz WGXKPNQSLKGFQW-STQMWFEESA-N 1 0 240.391 1.754 50 0 BDAARO Cc1ccccc1CN1CC[NH2+]C[C@H]1CCO ZINC000066275277 179273469 /nfs/dbraw/zinc/27/34/69/179273469.db2.gz KWLLBRCNHUROAW-CQSZACIVSA-N 1 0 234.343 1.151 50 0 BDAARO Cc1ccccc1C[C@@H](C)[NH2+]Cc1ncnn1C ZINC000096478850 179289008 /nfs/dbraw/zinc/28/90/08/179289008.db2.gz HHWDVZTYFUGVQF-GFCCVEGCSA-N 1 0 244.342 1.844 50 0 BDAARO Cc1ccccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000105472250 179282921 /nfs/dbraw/zinc/28/29/21/179282921.db2.gz BSCJEZOZLWDVIZ-AWEZNQCLSA-N 1 0 234.343 1.415 50 0 BDAARO Cc1ccccc1OCCN1CC[NH2+][C@@H](C)C1 ZINC000040456346 179311275 /nfs/dbraw/zinc/31/12/75/179311275.db2.gz JQSWZUUKTUBRMG-ZDUSSCGKSA-N 1 0 234.343 1.668 50 0 BDAARO CCN1c2ccccc2[C@H]2C[NH2+]CC[C@H]21 ZINC000308772829 348551201 /nfs/dbraw/zinc/55/12/01/348551201.db2.gz GZYIJZZKJIPDMP-DGCLKSJQSA-N 1 0 202.301 1.972 50 0 BDAARO Cc1cnc(N[C@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000095364485 179642360 /nfs/dbraw/zinc/64/23/60/179642360.db2.gz PBHFVBNRXZNQRJ-LLVKDONJSA-N 1 0 248.330 1.108 50 0 BDAARO CSCCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421702321 192375593 /nfs/dbraw/zinc/37/55/93/192375593.db2.gz JUXIYMPFJVOVFF-JTQLQIEISA-N 1 0 230.377 1.292 50 0 BDAARO CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000065588278 191001655 /nfs/dbraw/zinc/00/16/55/191001655.db2.gz ZARXNPGJPAKMOY-GFCCVEGCSA-N 1 0 224.348 1.633 50 0 BDAARO CC(C)([C@@H]1NCCc2nc[nH]c21)[NH+]1CCCCC1 ZINC000065530822 191001678 /nfs/dbraw/zinc/00/16/78/191001678.db2.gz RCWVWQUIYAILBK-CYBMUJFWSA-N 1 0 248.374 1.861 50 0 BDAARO Cc1nc([C@@H](C)N(C)CC[C@H](C)O)no1 ZINC000252483049 180033840 /nfs/dbraw/zinc/03/38/40/180033840.db2.gz DTHDAJSXXKEHRX-JGVFFNPUSA-N 1 0 213.281 1.142 50 0 BDAARO Cc1nc2ccccc2n(CCC[NH3+])c1=O ZINC000041630453 180101134 /nfs/dbraw/zinc/10/11/34/180101134.db2.gz XQIIXIYJSHCQTR-UHFFFAOYSA-N 1 0 217.272 1.054 50 0 BDAARO Cc1ccc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)o1 ZINC000069772857 180114737 /nfs/dbraw/zinc/11/47/37/180114737.db2.gz VKFNYQSEACADGP-LLVKDONJSA-N 1 0 246.314 1.593 50 0 BDAARO Cc1nc2ncccc2n1C1CC[NH2+]CC1 ZINC000072319842 180115963 /nfs/dbraw/zinc/11/59/63/180115963.db2.gz BBHWLVWMLAYILJ-UHFFFAOYSA-N 1 0 216.288 1.664 50 0 BDAARO Cc1nc2sc(N)n[n+]2c(C)c1Cl ZINC000003078647 180117622 /nfs/dbraw/zinc/11/76/22/180117622.db2.gz KPOJUUZZPJPOMO-UHFFFAOYSA-N 1 0 215.689 1.129 50 0 BDAARO Cc1nccc(N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000309900083 180202594 /nfs/dbraw/zinc/20/25/94/180202594.db2.gz HGDLTOIAEVMXDS-GHMZBOCLSA-N 1 0 220.320 1.680 50 0 BDAARO Cc1nccc(-c2cccc3c2O[C@H](C[NH3+])C3)n1 ZINC000067790115 180180346 /nfs/dbraw/zinc/18/03/46/180180346.db2.gz OEJORRQMSWVYKK-NSHDSACASA-N 1 0 241.294 1.714 50 0 BDAARO Cc1ncccc1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000097162219 180219951 /nfs/dbraw/zinc/21/99/51/180219951.db2.gz QXCIIZPYKHRBNN-OCCSQVGLSA-N 1 0 234.343 1.983 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000229241557 350570085 /nfs/dbraw/zinc/57/00/85/350570085.db2.gz CUPLIXNZYXWLEY-CHWSQXEVSA-N 1 0 237.347 1.509 50 0 BDAARO O=C1NCC2(CC[NH+](Cc3ccccc3)CC2)N1 ZINC000001640494 350580317 /nfs/dbraw/zinc/58/03/17/350580317.db2.gz ZIILOBDVULJBMD-UHFFFAOYSA-N 1 0 245.326 1.334 50 0 BDAARO Cc1noc(C)c1COC[C@H]1CCC[NH2+]C1 ZINC000051815175 180475299 /nfs/dbraw/zinc/47/52/99/180475299.db2.gz MDBYZGCXBKFZDA-NSHDSACASA-N 1 0 224.304 1.808 50 0 BDAARO C[Si](C)(C)C[N@@H+]1CCCC[C@H]1CN ZINC000401690812 362982435 /nfs/dbraw/zinc/98/24/35/362982435.db2.gz QBIVOHRTMVLAKB-JTQLQIEISA-N 1 0 200.402 1.677 50 0 BDAARO CCOc1ccc(N2C[C@H]([NH3+])CC2=O)cc1 ZINC000015015137 350833633 /nfs/dbraw/zinc/83/36/33/350833633.db2.gz YWUXWKQZISWHCF-SECBINFHSA-N 1 0 220.272 1.149 50 0 BDAARO Cc1occc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000070175969 180536603 /nfs/dbraw/zinc/53/66/03/180536603.db2.gz VIGYWYGMTFEZJJ-BXKDBHETSA-N 1 0 236.315 1.787 50 0 BDAARO Cn1cc(C[NH3+])c(-c2cccc(F)c2)n1 ZINC000082639737 180641648 /nfs/dbraw/zinc/64/16/48/180641648.db2.gz JJFPQVIGKPTFJC-UHFFFAOYSA-N 1 0 205.236 1.685 50 0 BDAARO C[N@H+](C[C@@H]1CCOC1)[C@H]1Cc2ccccc2[C@H]1O ZINC000252734814 538101484 /nfs/dbraw/zinc/10/14/84/538101484.db2.gz DVFSJXIKNLOIDF-TUKIKUTGSA-N 1 0 247.338 1.613 50 0 BDAARO C[N@H+](C[C@@H]1CCOC1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000252734812 538101519 /nfs/dbraw/zinc/10/15/19/538101519.db2.gz DVFSJXIKNLOIDF-CQDKDKBSSA-N 1 0 247.338 1.613 50 0 BDAARO CCCc1noc(CC2CC[NH2+]CC2)n1 ZINC000045893390 352669853 /nfs/dbraw/zinc/66/98/53/352669853.db2.gz CATQWOULQRLHAH-UHFFFAOYSA-N 1 0 209.293 1.564 50 0 BDAARO Cc1nnc(N2CCC3(C2)CC[NH2+]CC3)s1 ZINC000420224866 192177976 /nfs/dbraw/zinc/17/79/76/192177976.db2.gz HJTOCEYXUKLMST-UHFFFAOYSA-N 1 0 238.360 1.426 50 0 BDAARO CSCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000229419889 353151867 /nfs/dbraw/zinc/15/18/67/353151867.db2.gz AXZMEPUJJQFTQK-GHMZBOCLSA-N 1 0 242.388 1.435 50 0 BDAARO CC(=O)N(C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000140661 188272480 /nfs/dbraw/zinc/27/24/80/188272480.db2.gz QYBGPRUWZOJBBR-UHFFFAOYSA-N 1 0 212.337 1.774 50 0 BDAARO COc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000000073746 188272633 /nfs/dbraw/zinc/27/26/33/188272633.db2.gz MROZGJJLUZDWPG-LLVKDONJSA-N 1 0 239.315 1.433 50 0 BDAARO COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1 ZINC000000357588 188273532 /nfs/dbraw/zinc/27/35/32/188273532.db2.gz ZJXNNHXMTOVMHI-CYBMUJFWSA-N 1 0 221.300 1.964 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000004202451 188275663 /nfs/dbraw/zinc/27/56/63/188275663.db2.gz PTVRCUVHYMGECC-SECBINFHSA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(CO)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004653753 188277065 /nfs/dbraw/zinc/27/70/65/188277065.db2.gz RKPIURLONHNWJO-UHFFFAOYSA-N 1 0 223.272 1.276 50 0 BDAARO C1=CC[C@H](C[NH2+]CCN2CCOCC2)CC1 ZINC000019735335 188281624 /nfs/dbraw/zinc/28/16/24/188281624.db2.gz LTTZZFLHFAMTIU-ZDUSSCGKSA-N 1 0 224.348 1.265 50 0 BDAARO COc1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769635 188294618 /nfs/dbraw/zinc/29/46/18/188294618.db2.gz CDZUZPOJUGQJDA-UHFFFAOYSA-N 1 0 213.664 1.699 50 0 BDAARO CC(=O)Nc1cccc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000042772726 188294707 /nfs/dbraw/zinc/29/47/07/188294707.db2.gz VAQDACDNDKWIEA-LLVKDONJSA-N 1 0 234.299 1.633 50 0 BDAARO Cc1nc([C@@]2(C)CCC[NH2+]C2)cc(=O)[nH]1 ZINC000072344478 188306835 /nfs/dbraw/zinc/30/68/35/188306835.db2.gz VZQHESAZOLVKKP-NSHDSACASA-N 1 0 207.277 1.132 50 0 BDAARO C1CCc2[nH]c([C@H]3CCC[NH2+]C3)nc2C1 ZINC000076121476 188310062 /nfs/dbraw/zinc/31/00/62/188310062.db2.gz GKVVMQNOPVPKRS-VIFPVBQESA-N 1 0 205.305 1.756 50 0 BDAARO CC(C)=CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000094071166 188318710 /nfs/dbraw/zinc/31/87/10/188318710.db2.gz QRZPDJXRFQRADQ-UHFFFAOYSA-N 1 0 240.347 1.309 50 0 BDAARO CC(C)COCC[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000095421090 188319209 /nfs/dbraw/zinc/31/92/09/188319209.db2.gz VQLMPGCPYJDUGT-GFCCVEGCSA-N 1 0 226.364 1.485 50 0 BDAARO Cc1ccc(C[NH2+]CC2(O)CCOCC2)cc1C ZINC000112717103 188319236 /nfs/dbraw/zinc/31/92/36/188319236.db2.gz VOSLAPXTPYKAIT-UHFFFAOYSA-N 1 0 249.354 1.935 50 0 BDAARO C/C=C(/C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000156541576 188330340 /nfs/dbraw/zinc/33/03/40/188330340.db2.gz YSCOJTNVPYCWEG-XXLCQIKASA-N 1 0 210.321 1.538 50 0 BDAARO COc1ccc(CC2=[NH+]CCN2)cc1OC ZINC000003647680 188336574 /nfs/dbraw/zinc/33/65/74/188336574.db2.gz VVEPDEYYAPYVLS-UHFFFAOYSA-N 1 0 220.272 1.248 50 0 BDAARO Cc1ccc(NC(=S)NCC[NH+](C)C)cc1 ZINC000006546490 188337926 /nfs/dbraw/zinc/33/79/26/188337926.db2.gz NJNBEBPTKZSTQD-UHFFFAOYSA-N 1 0 237.372 1.843 50 0 BDAARO CC(C)=CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000122245137 188355286 /nfs/dbraw/zinc/35/52/86/188355286.db2.gz AJYIRBSJVGXJAW-UHFFFAOYSA-N 1 0 236.359 1.943 50 0 BDAARO OCc1ccccc1CC1CC[NH2+]CC1 ZINC000215289351 188355518 /nfs/dbraw/zinc/35/55/18/188355518.db2.gz RKIBLNHEPZSCFA-UHFFFAOYSA-N 1 0 205.301 1.721 50 0 BDAARO Cc1c[nH+]ccc1N1CCO[C@@H](CF)C1 ZINC000334658248 354454355 /nfs/dbraw/zinc/45/43/55/354454355.db2.gz DQDUHIRAHJFXSX-JTQLQIEISA-N 1 0 210.252 1.565 50 0 BDAARO NC(=[NH2+])NCCCOc1ccc(F)cc1 ZINC000071518150 181190357 /nfs/dbraw/zinc/19/03/57/181190357.db2.gz XOCPWOMPGUYXHW-UHFFFAOYSA-N 1 0 211.240 1.078 50 0 BDAARO NC(=[NH2+])c1ccc(Br)s1 ZINC000032593530 181194104 /nfs/dbraw/zinc/19/41/04/181194104.db2.gz LQDLNXIMMFLGSH-UHFFFAOYSA-N 1 0 205.080 1.795 50 0 BDAARO NC(=[NH2+])c1ccnc(Oc2cccnc2)c1 ZINC000036904262 181197230 /nfs/dbraw/zinc/19/72/30/181197230.db2.gz VGQNUUDCNWKMOS-UHFFFAOYSA-N 1 0 214.228 1.553 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1CCOCCO ZINC000040229381 355797488 /nfs/dbraw/zinc/79/74/88/355797488.db2.gz YRZWJELHSBDHFS-NSHDSACASA-N 1 0 201.310 1.260 50 0 BDAARO NC(=O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000119008453 181236944 /nfs/dbraw/zinc/23/69/44/181236944.db2.gz VADYSSCVUIQVPV-UONOGXRCSA-N 1 0 246.354 1.863 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000048658856 181230719 /nfs/dbraw/zinc/23/07/19/181230719.db2.gz OQYXYPVJYMEFDY-GFCCVEGCSA-N 1 0 236.290 1.318 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000048580403 181232423 /nfs/dbraw/zinc/23/24/23/181232423.db2.gz CDMAYADAXSCQMV-NSHDSACASA-N 1 0 210.321 1.516 50 0 BDAARO NC(=O)C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000368575691 181243560 /nfs/dbraw/zinc/24/35/60/181243560.db2.gz JJPJNXPGCHVWLG-NSHDSACASA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000005934429 181279070 /nfs/dbraw/zinc/27/90/70/181279070.db2.gz LJLMNWPXAYKPGV-NWDGAFQWSA-N 1 0 218.300 1.398 50 0 in-vitro BDAARO O=c1ccc(C2CC2)nn1CC1CC[NH2+]CC1 ZINC000618254330 356470290 /nfs/dbraw/zinc/47/02/90/356470290.db2.gz VZWFBYOXDAMVSO-UHFFFAOYSA-N 1 0 233.315 1.120 50 0 BDAARO Cc1nccc(C[NH+]2CCC(CF)CC2)n1 ZINC000336210481 134134061 /nfs/dbraw/zinc/13/40/61/134134061.db2.gz UMSUALCEYOQNIU-UHFFFAOYSA-N 1 0 223.295 1.967 50 0 BDAARO Cc1cscc1C(=O)N1[C@H](C)C[NH2+]C[C@H]1C ZINC000086816326 538559722 /nfs/dbraw/zinc/55/97/22/538559722.db2.gz FNZGUQHOFQBEHQ-NXEZZACHSA-N 1 0 238.356 1.879 50 0 BDAARO NC(=O)C1([NH2+]C2CCCCCCC2)CC1 ZINC000095940813 538614093 /nfs/dbraw/zinc/61/40/93/538614093.db2.gz GRNBAQKBHBHSFK-UHFFFAOYSA-N 1 0 210.321 1.707 50 0 BDAARO C[C@@H]1C[NH+](CCCCCCO)C[C@@H](C)O1 ZINC000075105538 356835110 /nfs/dbraw/zinc/83/51/10/356835110.db2.gz HYQABNUGSUNISB-VXGBXAGGSA-N 1 0 215.337 1.648 50 0 BDAARO c1c[nH]c(C[NH2+]CCNc2ccccc2)n1 ZINC000075108031 356840956 /nfs/dbraw/zinc/84/09/56/356840956.db2.gz CVYBOUYSLQWSKQ-UHFFFAOYSA-N 1 0 216.288 1.611 50 0 BDAARO CC/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000390523168 357100829 /nfs/dbraw/zinc/10/08/29/357100829.db2.gz FYOCGYMPEGJKNM-RRNNCXACSA-N 1 0 224.348 1.976 50 0 BDAARO C[NH2+]Cc1cc(-c2ccc(F)cc2N)n[nH]1 ZINC000685948833 538891834 /nfs/dbraw/zinc/89/18/34/538891834.db2.gz DOFNZFDQXDSNIY-UHFFFAOYSA-N 1 0 220.251 1.517 50 0 BDAARO CC[NH2+]Cc1cc(-c2cccc(N)c2)n[nH]1 ZINC000685949123 538892329 /nfs/dbraw/zinc/89/23/29/538892329.db2.gz JHSWVQNPEKPBSX-UHFFFAOYSA-N 1 0 216.288 1.768 50 0 BDAARO NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000047992874 181294635 /nfs/dbraw/zinc/29/46/35/181294635.db2.gz GWGZNYSURRBTEF-UHFFFAOYSA-N 1 0 236.340 1.334 50 0 BDAARO CCc1cnc(NC(=O)C[N@H+](C)C(C)C)s1 ZINC000081229207 358113867 /nfs/dbraw/zinc/11/38/67/358113867.db2.gz WCQVPNLJUYMDCB-UHFFFAOYSA-N 1 0 241.360 1.984 50 0 BDAARO CCOc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1 ZINC000019669135 359950633 /nfs/dbraw/zinc/95/06/33/359950633.db2.gz LHCNCRIXJLAAQT-NSHDSACASA-N 1 0 236.271 1.369 50 0 BDAARO C[C@@H]1C[N@H+](C)CCN1Cc1nc2ccccc2o1 ZINC000089939311 360049213 /nfs/dbraw/zinc/04/92/13/360049213.db2.gz AUFHJNFYMBSRGG-LLVKDONJSA-N 1 0 245.326 1.964 50 0 BDAARO COc1cccc2c1C[C@H]([NH+](C)C)CO2 ZINC000006712169 360644276 /nfs/dbraw/zinc/64/42/76/360644276.db2.gz RDBLNRARYUBTRQ-VIFPVBQESA-N 1 0 207.273 1.560 50 0 BDAARO CC[C@]1(C(=O)N(C)C[C@H](C)COC)CCC[NH2+]1 ZINC000170082405 361389760 /nfs/dbraw/zinc/38/97/60/361389760.db2.gz WPAFOSUDCDXRTI-WCQYABFASA-N 1 0 242.363 1.260 50 0 BDAARO Cc1nn(C)c(NC(=O)CC2([NH3+])CCC2)c1C ZINC000170049054 361383789 /nfs/dbraw/zinc/38/37/89/361383789.db2.gz QOCQFZRSEOJJNZ-UHFFFAOYSA-N 1 0 236.319 1.247 50 0 BDAARO [NH3+]C1(c2nc3c(c(=O)[nH]2)CCC3)CCCCC1 ZINC000068577016 181335535 /nfs/dbraw/zinc/33/55/35/181335535.db2.gz NPQZPNNKNRSGDO-UHFFFAOYSA-N 1 0 233.315 1.377 50 0 BDAARO [NH3+]C1(c2nnnn2-c2ccccc2)CCCCC1 ZINC000022434488 181336546 /nfs/dbraw/zinc/33/65/46/181336546.db2.gz IUZAFHCXISOEIB-UHFFFAOYSA-N 1 0 243.314 1.780 50 0 BDAARO [NH3+]C1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000019433463 181343786 /nfs/dbraw/zinc/34/37/86/181343786.db2.gz RYHJVXBQHPJEGO-UHFFFAOYSA-N 1 0 240.253 1.528 50 0 BDAARO CC(C)(C)NC(=O)NC[C@@](C)([NH3+])C(C)(C)C ZINC000725254940 541331972 /nfs/dbraw/zinc/33/19/72/541331972.db2.gz KWZFFPJZQWBLAI-GFCCVEGCSA-N 1 0 229.368 1.848 50 0 BDAARO [NH3+]CCCCS(=O)(=O)c1ccc(F)cc1 ZINC000020223512 181378803 /nfs/dbraw/zinc/37/88/03/181378803.db2.gz STEBBTLPWRFBHC-UHFFFAOYSA-N 1 0 231.292 1.338 50 0 BDAARO [NH3+]CCCNC(=O)c1cc2ccccc2o1 ZINC000019425858 181382448 /nfs/dbraw/zinc/38/24/48/181382448.db2.gz ZSDDPEWKWIKCDI-UHFFFAOYSA-N 1 0 218.256 1.511 50 0 BDAARO [NH3+]CCN1CCC(c2ccccc2)CC1 ZINC000023116709 181391597 /nfs/dbraw/zinc/39/15/97/181391597.db2.gz BFKSDLKIKGGPJK-UHFFFAOYSA-N 1 0 204.317 1.825 50 0 BDAARO [NH3+]CCNc1ccc(-c2ccccc2)nn1 ZINC000033940810 181398401 /nfs/dbraw/zinc/39/84/01/181398401.db2.gz MYIVBNAPMDWPSI-UHFFFAOYSA-N 1 0 214.272 1.514 50 0 BDAARO [NH3+]CCOc1ccc(C(F)(F)F)cn1 ZINC000051870240 181399974 /nfs/dbraw/zinc/39/99/74/181399974.db2.gz JPOORKHHZQWMRF-UHFFFAOYSA-N 1 0 206.167 1.438 50 0 BDAARO [NH3+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000002454806 181421441 /nfs/dbraw/zinc/42/14/41/181421441.db2.gz WCTVXSRNGUMJKC-MRVPVSSYSA-N 1 0 201.653 1.038 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000050892443 181435092 /nfs/dbraw/zinc/43/50/92/181435092.db2.gz SAEJTUCVNHSXEE-JTQLQIEISA-N 1 0 246.310 1.042 50 0 BDAARO [NH3+][C@@]1(c2ccc(Br)cc2)C[C@H](O)C1 ZINC000116653390 368386849 /nfs/dbraw/zinc/38/68/49/368386849.db2.gz BRHRYGHDIMFVQX-AOOOYVTPSA-N 1 0 242.116 1.758 50 0 BDAARO CCc1cccc2c1N(C(=O)C[NH2+]C)CC2 ZINC000083889711 368836508 /nfs/dbraw/zinc/83/65/08/368836508.db2.gz GEWJCFQYCITBKB-UHFFFAOYSA-N 1 0 218.300 1.358 50 0 BDAARO C(Cc1nc(C2CC2)no1)[NH2+][C@H]1CCCOC1 ZINC000584896147 369043537 /nfs/dbraw/zinc/04/35/37/369043537.db2.gz AOPBPMKHZZYEIU-JTQLQIEISA-N 1 0 237.303 1.258 50 0 BDAARO [NH3+]C[C@H](CO)c1ccc(Br)cc1 ZINC000071534508 181444017 /nfs/dbraw/zinc/44/40/17/181444017.db2.gz XOLHDBQTWXTIAC-MRVPVSSYSA-N 1 0 230.105 1.484 50 0 BDAARO [NH3+]Cc1cccc(CN2C(=O)CSC2=O)c1 ZINC000039947720 181487782 /nfs/dbraw/zinc/48/77/82/181487782.db2.gz USKNVYSTBBMMGI-UHFFFAOYSA-N 1 0 236.296 1.341 50 0 BDAARO [NH3+]Cc1cn(-c2ccccc2Cl)nn1 ZINC000047843797 181492694 /nfs/dbraw/zinc/49/26/94/181492694.db2.gz ZUMYDZXZUVEJMX-UHFFFAOYSA-N 1 0 208.652 1.379 50 0 BDAARO CC[NH+](CC)Cc1ncn2c1C[NH2+]CCC2 ZINC000390619833 371220932 /nfs/dbraw/zinc/22/09/32/371220932.db2.gz FHNWHWGYIXGUCB-UHFFFAOYSA-N 1 0 222.336 1.218 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2CSc3ccccc32)C1 ZINC000147885147 181586786 /nfs/dbraw/zinc/58/67/86/181586786.db2.gz LSFNDFDRUNIEDR-KOLCDFICSA-N 1 0 248.351 1.436 50 0 BDAARO Cc1cc(OC[C@H](O)C[NH2+]C(C)C)ccc1O ZINC000096028170 371383751 /nfs/dbraw/zinc/38/37/51/371383751.db2.gz DQLBVUUKESTRFO-LLVKDONJSA-N 1 0 239.315 1.438 50 0 BDAARO Cc1cccc(OC[C@H](O)CC(N)=[NH2+])c1 ZINC000096027747 371383873 /nfs/dbraw/zinc/38/38/73/371383873.db2.gz FAJPAQASPWDIFL-SECBINFHSA-N 1 0 208.261 1.061 50 0 BDAARO CC[N@H+](Cc1cccc(C)c1)[C@H]1CCNC1=O ZINC000097031833 371540291 /nfs/dbraw/zinc/54/02/91/371540291.db2.gz SGMAJYNOEHDSPD-ZDUSSCGKSA-N 1 0 232.327 1.705 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)C ZINC000057828818 371916310 /nfs/dbraw/zinc/91/63/10/371916310.db2.gz ZOLBMLNQTXXNHL-LLVKDONJSA-N 1 0 212.337 1.776 50 0 BDAARO O=C(CCCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000034940602 181911787 /nfs/dbraw/zinc/91/17/87/181911787.db2.gz VBKWQALMRWRCMI-CQSZACIVSA-N 1 0 246.354 1.878 50 0 BDAARO O=C(Cc1ccccc1)NCC[NH+]1CCCC1 ZINC000004454503 182044449 /nfs/dbraw/zinc/04/44/49/182044449.db2.gz CSDUVFDBGRUPGC-UHFFFAOYSA-N 1 0 232.327 1.441 50 0 BDAARO O=C(NC1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000019408979 182113099 /nfs/dbraw/zinc/11/30/99/182113099.db2.gz VFIIKPDGRULRPR-SNVBAGLBSA-N 1 0 210.321 1.435 50 0 BDAARO CC(C)CNC(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000069530184 373398952 /nfs/dbraw/zinc/39/89/52/373398952.db2.gz KYSFTSJFOPFQDF-LLVKDONJSA-N 1 0 212.337 1.633 50 0 BDAARO O=C(NCCC1CC[NH2+]CC1)c1ccccc1 ZINC000013745785 182157710 /nfs/dbraw/zinc/15/77/10/182157710.db2.gz OJYDXVKHMWVVTO-UHFFFAOYSA-N 1 0 232.327 1.806 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)c1ccncc1 ZINC000040510069 182186939 /nfs/dbraw/zinc/18/69/39/182186939.db2.gz BILUODIGBWAPSB-UHFFFAOYSA-N 1 0 247.342 1.687 50 0 BDAARO CCCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000069846299 373876307 /nfs/dbraw/zinc/87/63/07/373876307.db2.gz WFTIBHAKOAZLLN-LBPRGKRZSA-N 1 0 239.363 1.570 50 0 BDAARO O=C(NC[C@@H]1CCCC[NH2+]1)Nc1ccccc1 ZINC000019274550 182223989 /nfs/dbraw/zinc/22/39/89/182223989.db2.gz GKRVWSKFPICTKX-LBPRGKRZSA-N 1 0 233.315 1.950 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019386677 182237930 /nfs/dbraw/zinc/23/79/30/182237930.db2.gz SIHLWNGPBLLVFA-NSHDSACASA-N 1 0 218.300 1.416 50 0 BDAARO O=C(NCc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000019411438 182256056 /nfs/dbraw/zinc/25/60/56/182256056.db2.gz RUIZRCVLYKKMLD-LBPRGKRZSA-N 1 0 218.300 1.445 50 0 BDAARO C[C@@H](Cn1cccn1)[NH2+]CC1(O)CCCCC1 ZINC000042539933 374274332 /nfs/dbraw/zinc/27/43/32/374274332.db2.gz MQLLZTJZNPOLFP-LBPRGKRZSA-N 1 0 237.347 1.556 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1 ZINC000046998414 182302954 /nfs/dbraw/zinc/30/29/54/182302954.db2.gz YKHUYYKHWVFIQV-CHWSQXEVSA-N 1 0 245.326 1.438 50 0 BDAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000032819622 182303164 /nfs/dbraw/zinc/30/31/64/182303164.db2.gz GLKDAWQTEFAUTM-CQSZACIVSA-N 1 0 244.338 1.787 50 0 BDAARO O=C(N[C@]12C[C@H]1C[NH2+]C2)OCc1ccccc1 ZINC000091304718 182322820 /nfs/dbraw/zinc/32/28/20/182322820.db2.gz FFNNFPWKLKSVTG-AAEUAGOBSA-N 1 0 232.283 1.275 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000046995092 182336729 /nfs/dbraw/zinc/33/67/29/182336729.db2.gz VLSCMGJANNLQQP-QWHCGFSZSA-N 1 0 245.326 1.438 50 0 BDAARO O=C(Nc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000062112415 182350459 /nfs/dbraw/zinc/35/04/59/182350459.db2.gz FFUMKSWZFJEQMZ-ZETCQYMHSA-N 1 0 226.226 1.513 50 0 BDAARO O=C(Nc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000003622346 182375555 /nfs/dbraw/zinc/37/55/55/182375555.db2.gz GWEMXUIOODAQAE-JTQLQIEISA-N 1 0 205.261 1.170 50 0 BDAARO O=C(Nc1ccccc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000042783986 182377164 /nfs/dbraw/zinc/37/71/64/182377164.db2.gz ICXQSFQNYROKJX-UHFFFAOYSA-N 1 0 242.282 1.308 50 0 BDAARO O=C(Nc1ccccn1)C1CC[NH2+]CC1 ZINC000019411724 182380035 /nfs/dbraw/zinc/38/00/35/182380035.db2.gz KZJVTRDVQOZWCX-UHFFFAOYSA-N 1 0 205.261 1.020 50 0 BDAARO O=C(O[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768343 182608205 /nfs/dbraw/zinc/60/82/05/182608205.db2.gz QVMUDDOMTOHULU-SECBINFHSA-N 1 0 240.690 1.644 50 0 BDAARO O=C1NC[C@H](c2ccccc2)[C@@]12CCC[NH2+]C2 ZINC000044136833 182814907 /nfs/dbraw/zinc/81/49/07/182814907.db2.gz KIALTMINMJWBTC-OCCSQVGLSA-N 1 0 230.311 1.270 50 0 BDAARO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+]2CCCC[C@H]12 ZINC000000048395 183002417 /nfs/dbraw/zinc/00/24/17/183002417.db2.gz FQEQMASDZFXSJI-RWMBFGLXSA-N 1 0 244.338 1.820 50 0 biogenic,in-vitro BDAARO OC1(C[NH+]2CCC(CF)CC2)CCC1 ZINC000336255669 183017990 /nfs/dbraw/zinc/01/79/90/183017990.db2.gz JBPKRYTVFXLPPN-UHFFFAOYSA-N 1 0 201.285 1.583 50 0 BDAARO OC1(C[NH+]2CCN(C3CCC3)CC2)CCC1 ZINC000336612718 183018559 /nfs/dbraw/zinc/01/85/59/183018559.db2.gz FQQDQDRSHLLTCL-UHFFFAOYSA-N 1 0 224.348 1.072 50 0 BDAARO OCCCCCC[N@@H+]1CCCOCC1 ZINC000095408852 183043939 /nfs/dbraw/zinc/04/39/39/183043939.db2.gz IVTNXKPFGVGIHW-UHFFFAOYSA-N 1 0 201.310 1.261 50 0 BDAARO OCCCCC[N@@H+]1CCOCC12CCCC2 ZINC000170057441 183045151 /nfs/dbraw/zinc/04/51/51/183045151.db2.gz HBBGREBIFAHMSO-UHFFFAOYSA-N 1 0 227.348 1.794 50 0 BDAARO OCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266832 183057464 /nfs/dbraw/zinc/05/74/64/183057464.db2.gz MWGTWAJWUFGJQR-CYBMUJFWSA-N 1 0 205.301 1.858 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000231888848 183118837 /nfs/dbraw/zinc/11/88/37/183118837.db2.gz OPENWPOZSKOQFV-SNVBAGLBSA-N 1 0 224.279 1.425 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC000000214821 183119580 /nfs/dbraw/zinc/11/95/80/183119580.db2.gz SFMPNBAKYNPUBJ-NSHDSACASA-N 1 0 227.254 1.922 50 0 BDAARO OC[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000012647820 183127841 /nfs/dbraw/zinc/12/78/41/183127841.db2.gz IBOPBHBOBJYXTD-JQWIXIFHSA-N 1 0 209.264 1.511 50 0 in-vitro BDAARO OC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000011727404 183149716 /nfs/dbraw/zinc/14/97/16/183149716.db2.gz HYUQEQNTEQNOHP-LLVKDONJSA-N 1 0 235.283 1.372 50 0 BDAARO OC[C@H]1CCCN1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000095418523 183151146 /nfs/dbraw/zinc/15/11/46/183151146.db2.gz CMYSWGZBOWGVBG-ZIAGYGMSSA-N 1 0 238.375 1.318 50 0 BDAARO O[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000047915780 183191649 /nfs/dbraw/zinc/19/16/49/183191649.db2.gz CLRMOENJRRGKGX-LLVKDONJSA-N 1 0 239.290 1.661 50 0 BDAARO O[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)CC1 ZINC000334581185 183192227 /nfs/dbraw/zinc/19/22/27/183192227.db2.gz XVMNAWWHNBRSKS-SNVBAGLBSA-N 1 0 219.275 1.879 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc2c1OCO2 ZINC000040667468 183231134 /nfs/dbraw/zinc/23/11/34/183231134.db2.gz DTHVCOVZCWXTNT-RYUDHWBXSA-N 1 0 249.310 1.808 50 0 BDAARO O[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000301005777 183234059 /nfs/dbraw/zinc/23/40/59/183234059.db2.gz WRHCUZHHCMEMTA-ZJUUUORDSA-N 1 0 219.275 1.879 50 0 BDAARO O[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000239381 183235328 /nfs/dbraw/zinc/23/53/28/183235328.db2.gz UDDMCBUEJDPBKF-LBPRGKRZSA-N 1 0 209.264 1.782 50 0 BDAARO CCCN(CCC)C(=O)[C@H]([NH3+])C(C)C ZINC000019509136 169144050 /nfs/dbraw/zinc/14/40/50/169144050.db2.gz IHZRVAGMJMTQML-SNVBAGLBSA-N 1 0 200.326 1.618 50 0 BDAARO CCCN(CCC)C(=O)[C@H]1CCCC[NH2+]1 ZINC000019412717 169144839 /nfs/dbraw/zinc/14/48/39/169144839.db2.gz KXNMHTGCARMCPJ-LLVKDONJSA-N 1 0 212.337 1.777 50 0 BDAARO CCCN(CCc1ccccn1)C(=O)[C@H](C)[NH3+] ZINC000157227430 169170076 /nfs/dbraw/zinc/17/00/76/169170076.db2.gz BMPWDBNGWLVVRI-NSHDSACASA-N 1 0 235.331 1.210 50 0 BDAARO c1cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)ccn1 ZINC000106379688 183350020 /nfs/dbraw/zinc/35/00/20/183350020.db2.gz YHSZCBOBLJODIW-CQSZACIVSA-N 1 0 247.342 1.034 50 0 BDAARO c1cc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000114291923 183358771 /nfs/dbraw/zinc/35/87/71/183358771.db2.gz IGEZHWRGYWYXNS-DHHPTOIESA-N 1 0 204.273 1.743 50 0 BDAARO c1nnc(C2CC[NH2+]CC2)n1-c1ccccc1 ZINC000039628572 183386026 /nfs/dbraw/zinc/38/60/26/183386026.db2.gz LYBDDTCBSURWHR-UHFFFAOYSA-N 1 0 228.299 1.734 50 0 BDAARO c1ccc(-c2noc(C3C[NH2+]C3)n2)cc1 ZINC000043830085 183384187 /nfs/dbraw/zinc/38/41/87/183384187.db2.gz PNTXXUOJJRYJRV-UHFFFAOYSA-N 1 0 201.229 1.423 50 0 BDAARO CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000019507677 169252592 /nfs/dbraw/zinc/25/25/92/169252592.db2.gz PHESPTHFVZWBSP-SECBINFHSA-N 1 0 249.314 1.112 50 0 BDAARO c1cc([C@H]2CCC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000012242410 183362933 /nfs/dbraw/zinc/36/29/33/183362933.db2.gz JOJKVIHGYPULEW-NSHDSACASA-N 1 0 205.305 1.999 50 0 BDAARO c1ccc(-n2nnnc2S[C@H]2CC[NH2+]C2)cc1 ZINC000051784001 183388001 /nfs/dbraw/zinc/38/80/01/183388001.db2.gz JPTCRJBEPLLION-JTQLQIEISA-N 1 0 247.327 1.116 50 0 BDAARO c1ccc(CC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000010474506 183393061 /nfs/dbraw/zinc/39/30/61/183393061.db2.gz LUZQCJHLCYLRII-ZDUSSCGKSA-N 1 0 205.301 1.998 50 0 BDAARO CCC[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013717566 169268440 /nfs/dbraw/zinc/26/84/40/169268440.db2.gz BJHAWKBWVPJFNS-UHFFFAOYSA-N 1 0 239.315 1.566 50 0 BDAARO CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000057218704 169281575 /nfs/dbraw/zinc/28/15/75/169281575.db2.gz VUTULUPDGBEPBY-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO c1c2ccccc2[nH]c1N1CC[NH2+]CC1 ZINC000082913026 183434923 /nfs/dbraw/zinc/43/49/23/183434923.db2.gz FBCZWQNVHNIQOD-UHFFFAOYSA-N 1 0 201.273 1.578 50 0 BDAARO c1ccc2nc(O[C@H]3CC[NH2+]C3)ccc2c1 ZINC000051868435 183460082 /nfs/dbraw/zinc/46/00/82/183460082.db2.gz KVIJZVPGOJPQRR-NSHDSACASA-N 1 0 214.268 1.976 50 0 BDAARO CCC[C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000046275257 169350729 /nfs/dbraw/zinc/35/07/29/169350729.db2.gz PGJSSCNFPGWKFG-ZJUUUORDSA-N 1 0 200.326 1.489 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N(C)Cc1cccs1 ZINC000036873273 169386811 /nfs/dbraw/zinc/38/68/11/169386811.db2.gz WREXHYZGVSSMMB-SNVBAGLBSA-N 1 0 226.345 1.834 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H]([NH3+])C[C@H]21 ZINC000076675030 166652116 /nfs/dbraw/zinc/65/21/16/166652116.db2.gz SIDLVNZIPCOTFU-OPRDCNLKSA-N 1 0 226.320 1.733 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](C[NH3+])C1 ZINC000072267107 166652141 /nfs/dbraw/zinc/65/21/41/166652141.db2.gz XGPKBQDMQMWFFR-RKDXNWHRSA-N 1 0 232.299 1.540 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH3+])[C@H]2C1 ZINC000253182211 166656373 /nfs/dbraw/zinc/65/63/73/166656373.db2.gz IIZSRECJUBGQCE-CIUDSAMLSA-N 1 0 212.293 1.201 50 0 BDAARO CC(C)(C)OC(=O)NC[C@]1(C)CC[NH2+]C1 ZINC000034475619 166664507 /nfs/dbraw/zinc/66/45/07/166664507.db2.gz AXCFIJFQUMHJRG-LLVKDONJSA-N 1 0 214.309 1.511 50 0 BDAARO CC1(C)[C@H]([NH2+]C2CCC(O)CC2)[C@H]2CCO[C@H]21 ZINC000227061291 134374216 /nfs/dbraw/zinc/37/42/16/134374216.db2.gz TVXCGIPTSKSCQM-RKJHCZSYSA-N 1 0 239.359 1.693 50 0 BDAARO CSC(c1ccc(O)cc1)=[N+]1CCOCC1 ZINC000000339192 383857231 /nfs/dbraw/zinc/85/72/31/383857231.db2.gz RXNMPGODQYSQKO-UHFFFAOYSA-O 1 0 238.332 1.545 50 0 BDAARO [NH3+]Cc1cccc(-c2noc3c2C(=O)NCC3)c1 ZINC000035605811 383861941 /nfs/dbraw/zinc/86/19/41/383861941.db2.gz MYNSNSDMXKXYNN-UHFFFAOYSA-N 1 0 243.266 1.086 50 0 BDAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000035735851 383872483 /nfs/dbraw/zinc/87/24/83/383872483.db2.gz WANKLARNWVNQJV-AAEUAGOBSA-N 1 0 248.326 1.782 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1OC ZINC000000545319 383875326 /nfs/dbraw/zinc/87/53/26/383875326.db2.gz YZYGEXLUWNYNCY-NSHDSACASA-N 1 0 239.315 1.564 50 0 BDAARO COc1ccc([C@H](C[NH3+])N2CCCC2)cc1 ZINC000088604457 383916266 /nfs/dbraw/zinc/91/62/66/383916266.db2.gz MQRPNOSBMHBKSJ-ZDUSSCGKSA-N 1 0 220.316 1.791 50 0 BDAARO [NH3+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000036897167 383917350 /nfs/dbraw/zinc/91/73/50/383917350.db2.gz LTMCNIOAUBGLNJ-MRVPVSSYSA-N 1 0 229.663 1.103 50 0 BDAARO Cc1cc(C)c(C(=O)N(C)C2CC[NH2+]CC2)o1 ZINC000237101212 383886495 /nfs/dbraw/zinc/88/64/95/383886495.db2.gz SYQNLDCGQPTYSE-UHFFFAOYSA-N 1 0 236.315 1.720 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)Cc2ccccc2Cl)C1 ZINC000050228662 383982688 /nfs/dbraw/zinc/98/26/88/383982688.db2.gz BWDWUIDRONMWRS-JTQLQIEISA-N 1 0 238.718 1.442 50 0 BDAARO C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C[NH3+] ZINC000068593340 384002382 /nfs/dbraw/zinc/00/23/82/384002382.db2.gz PFHYJLHCIFWOCF-IUCAKERBSA-N 1 0 244.335 1.706 50 0 BDAARO Cc1ccc(S(=O)(=O)C[C@H](C)[NH3+])cc1 ZINC000068576927 384000307 /nfs/dbraw/zinc/00/03/07/384000307.db2.gz QOXXAOXFOLCNBY-VIFPVBQESA-N 1 0 213.302 1.116 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CCSC1 ZINC000037175076 383953804 /nfs/dbraw/zinc/95/38/04/383953804.db2.gz UOHQYWMZEIRKRG-UWVGGRQHSA-N 1 0 230.377 1.324 50 0 BDAARO COC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000002391722 383961303 /nfs/dbraw/zinc/96/13/03/383961303.db2.gz GKSBLGJAXZOORS-UHFFFAOYSA-N 1 0 219.284 1.940 50 0 biogenic BDAARO C[C@@H](NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000068590664 384003192 /nfs/dbraw/zinc/00/31/92/384003192.db2.gz SJSHDLFGAZOKEL-GFCCVEGCSA-N 1 0 234.343 1.845 50 0 BDAARO O=C1OC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000002547050 383974283 /nfs/dbraw/zinc/97/42/83/383974283.db2.gz BZOLMBUOVVXGMF-VXGBXAGGSA-N 1 0 217.268 1.291 50 0 BDAARO C[N@H+](CCO)C1CCN(Cc2ccccc2)CC1 ZINC000068591579 384001763 /nfs/dbraw/zinc/00/17/63/384001763.db2.gz TUEBPPKDRLPUHL-UHFFFAOYSA-N 1 0 248.370 1.575 50 0 BDAARO c1ccn2c(c1)nnc2[C@H]1CCC[NH2+]C1 ZINC000004219064 384046646 /nfs/dbraw/zinc/04/66/46/384046646.db2.gz ZWXUXOSRVISZHS-VIFPVBQESA-N 1 0 202.261 1.196 50 0 BDAARO [NH3+]CC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000004240234 384050675 /nfs/dbraw/zinc/05/06/75/384050675.db2.gz ZKELBKKCCWEFAG-GFCCVEGCSA-N 1 0 248.326 1.994 50 0 BDAARO COC(=O)c1ccccc1CSC(N)=[NH2+] ZINC000004085705 384039564 /nfs/dbraw/zinc/03/95/64/384039564.db2.gz FGIJQAQQTPDGNT-UHFFFAOYSA-N 1 0 224.285 1.600 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255311673 384076304 /nfs/dbraw/zinc/07/63/04/384076304.db2.gz UXYUGCXCHRZUAG-MVZIDQBPSA-N 1 0 249.289 1.184 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(Cl)cc1 ZINC000005042419 384098883 /nfs/dbraw/zinc/09/88/83/384098883.db2.gz YPAZEFDOSYTWDJ-UHFFFAOYSA-N 1 0 226.707 1.631 50 0 BDAARO O=C1Nc2ccccc2C2(CC[NH2+]CC2)O1 ZINC000039381801 384113818 /nfs/dbraw/zinc/11/38/18/384113818.db2.gz NHUBGKMFTPUSRP-UHFFFAOYSA-N 1 0 218.256 1.827 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H](C(N)=[NH2+])C1CC1 ZINC000070650200 384127606 /nfs/dbraw/zinc/12/76/06/384127606.db2.gz MKUXUJGTYKATFM-SSDOTTSWSA-N 1 0 213.281 1.226 50 0 BDAARO Cc1ccc([C@H]2CN(C(=O)C3CCC3)C[C@@H]2[NH3+])o1 ZINC000091486869 384129223 /nfs/dbraw/zinc/12/92/23/384129223.db2.gz QCWJEJYZZJPTKG-RYUDHWBXSA-N 1 0 248.326 1.641 50 0 BDAARO C/C=C/C=C/C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000071904565 384147525 /nfs/dbraw/zinc/14/75/25/384147525.db2.gz VOZHTLGDLGETLF-LOYOYPRNSA-N 1 0 234.343 1.814 50 0 BDAARO COc1ccc(CN2C[C@@H]([NH3+])C3(CC3)C2=O)cc1 ZINC000091690681 384138931 /nfs/dbraw/zinc/13/89/31/384138931.db2.gz NLRCBCRYOXXWKD-GFCCVEGCSA-N 1 0 246.310 1.145 50 0 BDAARO CCc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1 ZINC000227974017 384171575 /nfs/dbraw/zinc/17/15/75/384171575.db2.gz QPUQCUQIHNCCLS-WFASDCNBSA-N 1 0 249.354 1.879 50 0 BDAARO Cn1nc(-c2cccc3c2CC[NH2+]C3)ccc1=O ZINC000071746480 384176643 /nfs/dbraw/zinc/17/66/43/384176643.db2.gz UEGRBPOVWUJIEO-UHFFFAOYSA-N 1 0 241.294 1.093 50 0 BDAARO C[NH+](C)CCCNC(=O)c1ccccc1F ZINC000002745397 384174418 /nfs/dbraw/zinc/17/44/18/384174418.db2.gz XZHFSPOJZBPXBL-UHFFFAOYSA-N 1 0 224.279 1.507 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(F)cc1Cl ZINC000006700357 384162965 /nfs/dbraw/zinc/16/29/65/384162965.db2.gz PELYRYLHCUPQMP-UHFFFAOYSA-N 1 0 244.697 1.771 50 0 BDAARO O=Cc1ccccc1OCC[NH+]1CCCC1 ZINC000006681907 384163386 /nfs/dbraw/zinc/16/33/86/384163386.db2.gz NGJNGIWUXGFOJB-UHFFFAOYSA-N 1 0 219.284 1.974 50 0 BDAARO CCc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)o1 ZINC000090849418 384163788 /nfs/dbraw/zinc/16/37/88/384163788.db2.gz VIUIIMMTMALQRU-GWCFXTLKSA-N 1 0 239.315 1.644 50 0 BDAARO CN(CCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000071388678 384165381 /nfs/dbraw/zinc/16/53/81/384165381.db2.gz PDMMSZNLOBDKBE-CQSZACIVSA-N 1 0 218.344 1.913 50 0 BDAARO Cc1n[nH]cc1C[NH+]1CCC(CF)CC1 ZINC000294983405 384166626 /nfs/dbraw/zinc/16/66/26/384166626.db2.gz GRNIVWRBRNTSQQ-UHFFFAOYSA-N 1 0 211.284 1.900 50 0 BDAARO [NH3+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000071790445 384179850 /nfs/dbraw/zinc/17/98/50/384179850.db2.gz YMPQGOHOAQMWMU-SECBINFHSA-N 1 0 249.232 1.695 50 0 BDAARO CC(C)(C)OC(=O)N1CCCCC12C[NH2+]C2 ZINC000072194292 384199493 /nfs/dbraw/zinc/19/94/93/384199493.db2.gz MYPWDUFYPPMTKQ-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000072198743 384200174 /nfs/dbraw/zinc/20/01/74/384200174.db2.gz HRUSBMMNOMBWAV-QMMMGPOBSA-N 1 0 234.068 1.580 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@]2(CC[NH2+]2)C1 ZINC000072194288 384200295 /nfs/dbraw/zinc/20/02/95/384200295.db2.gz VOOWCGDOUHRBEJ-LBPRGKRZSA-N 1 0 226.320 1.749 50 0 BDAARO CCN(CC)c1cccc(OC2C[NH2+]C2)c1 ZINC000042769690 384241123 /nfs/dbraw/zinc/24/11/23/384241123.db2.gz JXKPZCQIOBNCKP-UHFFFAOYSA-N 1 0 220.316 1.883 50 0 BDAARO CNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC000072343752 384208670 /nfs/dbraw/zinc/20/86/70/384208670.db2.gz GQAWYOJREXLMFZ-VIFPVBQESA-N 1 0 206.293 1.294 50 0 BDAARO COC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000042782865 384243114 /nfs/dbraw/zinc/24/31/14/384243114.db2.gz RVVAGWAATWTKFD-NSHDSACASA-N 1 0 221.256 1.214 50 0 BDAARO COC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000042782860 384242495 /nfs/dbraw/zinc/24/24/95/384242495.db2.gz XKQYHLDWMZYKNJ-LBPRGKRZSA-N 1 0 235.283 1.604 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N1CCc2ccccc21 ZINC000011958557 384305372 /nfs/dbraw/zinc/30/53/72/384305372.db2.gz VLCCDHGPPGZONP-LBPRGKRZSA-N 1 0 218.300 1.559 50 0 BDAARO C[C@@H]1[C@@H](O)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000335376013 384282477 /nfs/dbraw/zinc/28/24/77/384282477.db2.gz QEUARENZXVLZLC-SCZZXKLOSA-N 1 0 219.275 1.877 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OCc1ccon1 ZINC000408525585 384289991 /nfs/dbraw/zinc/28/99/91/384289991.db2.gz FVSGIFAZCRZRSH-JTQLQIEISA-N 1 0 240.303 1.729 50 0 BDAARO COC(=O)[C@@H](C)OC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525733 384290242 /nfs/dbraw/zinc/29/02/42/384290242.db2.gz YOPZTBPPVNCQKQ-ZJUUUORDSA-N 1 0 245.319 1.102 50 0 BDAARO CC(C)C[C@@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000011593540 384292298 /nfs/dbraw/zinc/29/22/98/384292298.db2.gz WUTNGQAKAKFXRM-VIFPVBQESA-N 1 0 216.325 1.885 50 0 BDAARO [NH3+]CCc1nnc(-c2ccc(F)cc2)o1 ZINC000011585762 384292876 /nfs/dbraw/zinc/29/28/76/384292876.db2.gz OYZTXCWPJAPELQ-UHFFFAOYSA-N 1 0 207.208 1.377 50 0 BDAARO C[NH+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000013323029 384351769 /nfs/dbraw/zinc/35/17/69/384351769.db2.gz LRDHVIWGTARPDU-UHFFFAOYSA-N 1 0 226.707 1.518 50 0 BDAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000097111545 384374707 /nfs/dbraw/zinc/37/47/07/384374707.db2.gz LUZQYYNDCDZPIK-WOPDTQHZSA-N 1 0 242.363 1.399 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C[NH3+])C1 ZINC000095742854 384393136 /nfs/dbraw/zinc/39/31/36/384393136.db2.gz LWGUJVHTMSGIMN-JOYOIKCWSA-N 1 0 226.320 1.592 50 0 BDAARO CC(C)(C)OC(=O)NC1(C2C[NH2+]C2)CC1 ZINC000095743122 384393777 /nfs/dbraw/zinc/39/37/77/384393777.db2.gz JVEKOTXBPDKXPQ-UHFFFAOYSA-N 1 0 212.293 1.263 50 0 BDAARO C(C[C@H]1CCC[NH2+]C1)OC[C@@H]1CCCO1 ZINC000014632355 384399381 /nfs/dbraw/zinc/39/93/81/384399381.db2.gz KZTXXCCGELOEEL-NEPJUHHUSA-N 1 0 213.321 1.572 50 0 BDAARO CCCc1ccc([C@H](C)[NH2+]CC(N)=O)cc1 ZINC000095864187 384401871 /nfs/dbraw/zinc/40/18/71/384401871.db2.gz PGDBGGLNQXTXLK-JTQLQIEISA-N 1 0 220.316 1.775 50 0 BDAARO CC(C)=CC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000084671225 384406755 /nfs/dbraw/zinc/40/67/55/384406755.db2.gz KGWXENQDNVSZEN-CYBMUJFWSA-N 1 0 234.347 1.956 50 0 BDAARO CN(C)c1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000004550976 384413079 /nfs/dbraw/zinc/41/30/79/384413079.db2.gz MLHNBZURMBFIKV-UHFFFAOYSA-N 1 0 249.358 1.434 50 0 BDAARO [NH3+][C@H]1CCS(=O)(=O)c2ccc(Cl)cc21 ZINC000095939951 384417563 /nfs/dbraw/zinc/41/75/63/384417563.db2.gz RCXZIISFWJVMFA-QMMMGPOBSA-N 1 0 231.704 1.517 50 0 BDAARO [NH3+]C[C@H](c1ccc(F)cc1)N1CCCC1 ZINC000095483749 384377675 /nfs/dbraw/zinc/37/76/75/384377675.db2.gz FFRVQTGCNAGNJO-GFCCVEGCSA-N 1 0 208.280 1.921 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@@H](F)C1 ZINC000095629884 384385121 /nfs/dbraw/zinc/38/51/21/384385121.db2.gz PWWDRFMQLZQJAY-IUCAKERBSA-N 1 0 232.299 1.540 50 0 BDAARO O=C(CN1CCC(O)CC1)OCc1ccccc1 ZINC000095629666 384385144 /nfs/dbraw/zinc/38/51/44/384385144.db2.gz GBVZEOYVQKOMBO-UHFFFAOYSA-N 1 0 249.310 1.187 50 0 BDAARO Cc1cnc(CN[C@H](CO)c2ccccc2)o1 ZINC000097238554 384468357 /nfs/dbraw/zinc/46/83/57/384468357.db2.gz MVADQNSWFDMZFO-GFCCVEGCSA-N 1 0 232.283 1.806 50 0 BDAARO c1cncc(-c2noc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000019089671 384508978 /nfs/dbraw/zinc/50/89/78/384508978.db2.gz WJABBJUGFLNJQT-SNVBAGLBSA-N 1 0 230.271 1.599 50 0 BDAARO CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000019270896 384514759 /nfs/dbraw/zinc/51/47/59/384514759.db2.gz LDAMZMRSSDWFNA-UHFFFAOYSA-N 1 0 206.289 1.675 50 0 BDAARO C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000019831438 384541040 /nfs/dbraw/zinc/54/10/40/384541040.db2.gz MLCGZBGCZPUQAU-UHFFFAOYSA-N 1 0 205.305 1.219 50 0 BDAARO [NH3+]CCc1cnn(Cc2ccccc2)c1 ZINC000049796192 384568581 /nfs/dbraw/zinc/56/85/81/384568581.db2.gz BRCMAXGJILBQNL-UHFFFAOYSA-N 1 0 201.273 1.433 50 0 BDAARO O=C(CC1CCCCC1)N1CC[NH2+]CC1 ZINC000020248636 384604224 /nfs/dbraw/zinc/60/42/24/384604224.db2.gz NMCANBKLWBDZOP-UHFFFAOYSA-N 1 0 210.321 1.389 50 0 BDAARO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1 ZINC000098209911 384605090 /nfs/dbraw/zinc/60/50/90/384605090.db2.gz OJZFCODDXKJJIK-AAEUAGOBSA-N 1 0 221.300 1.316 50 0 BDAARO Cc1nc(-c2cccnc2)sc1C[NH3+] ZINC000020273787 384610358 /nfs/dbraw/zinc/61/03/58/384610358.db2.gz DWRDCMSQIACDMZ-UHFFFAOYSA-N 1 0 205.286 1.972 50 0 BDAARO CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000076169223 384698209 /nfs/dbraw/zinc/69/82/09/384698209.db2.gz OWMDHNBWTGGMCR-LBPRGKRZSA-N 1 0 212.337 1.633 50 0 BDAARO CC/C=C(\C)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000269200116 384700007 /nfs/dbraw/zinc/70/00/07/384700007.db2.gz VAJJIVLAFMLAOW-RUYJGKKWSA-N 1 0 210.321 1.553 50 0 BDAARO CC[NH+](CC)CCCC1CCN(C(N)=O)CC1 ZINC000097082303 384701229 /nfs/dbraw/zinc/70/12/29/384701229.db2.gz YEDSVSQJCSOFBQ-UHFFFAOYSA-N 1 0 241.379 1.899 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(OC(F)F)cc1 ZINC000021948594 384705275 /nfs/dbraw/zinc/70/52/75/384705275.db2.gz OSJPAJKRRGXALE-MRVPVSSYSA-N 1 0 203.188 1.280 50 0 BDAARO Cn1cc(C[NH2+]C[C@@](C)(O)c2ccccc2)cn1 ZINC000052098139 384717836 /nfs/dbraw/zinc/71/78/36/384717836.db2.gz MPULJIPOUOTBCW-CQSZACIVSA-N 1 0 245.326 1.417 50 0 BDAARO Cc1ccc2c(c1)[C@H](C(N)=O)[NH2+]CC2(C)C ZINC000218778332 384780887 /nfs/dbraw/zinc/78/08/87/384780887.db2.gz QKCYNHLHEBPQLR-LLVKDONJSA-N 1 0 218.300 1.402 50 0 BDAARO c1ccc(C[C@H]2C[N@@H+]3CCC[C@H]3CN2)cc1 ZINC000022913495 384778419 /nfs/dbraw/zinc/77/84/19/384778419.db2.gz FMZYVYGAYTZOHQ-KBPBESRZSA-N 1 0 216.328 1.665 50 0 BDAARO COc1c(F)cccc1N1CC[NH2+]CC1 ZINC000082951059 384729401 /nfs/dbraw/zinc/72/94/01/384729401.db2.gz WYYKKXQPHDDONO-UHFFFAOYSA-N 1 0 210.252 1.244 50 0 BDAARO [NH3+]CCc1cccc(Br)c1O ZINC000082969739 384732252 /nfs/dbraw/zinc/73/22/52/384732252.db2.gz BXRDMTVIPNGZLH-UHFFFAOYSA-N 1 0 216.078 1.656 50 0 BDAARO COC(=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000022171168 384739660 /nfs/dbraw/zinc/73/96/60/384739660.db2.gz GHFXQTMLDGZHPW-UHFFFAOYSA-N 1 0 205.257 1.725 50 0 BDAARO C[NH2+][C@H](CN1CC[C@H](O)C1)c1ccc(F)cc1 ZINC000022927798 384779771 /nfs/dbraw/zinc/77/97/71/384779771.db2.gz MQJRYOCYVSQUQQ-QWHCGFSZSA-N 1 0 238.306 1.153 50 0 BDAARO Cc1ccc([C@@H](O)C[NH2+]C2CCN(C)CC2)cc1 ZINC000084148704 384760626 /nfs/dbraw/zinc/76/06/26/384760626.db2.gz QDJXNFMVIOKPHV-HNNXBMFYSA-N 1 0 248.370 1.712 50 0 BDAARO FC(F)(F)c1cc(OC2CC[NH2+]CC2)ncn1 ZINC000083351168 384760973 /nfs/dbraw/zinc/76/09/73/384760973.db2.gz MNHFKHSICJHKBU-UHFFFAOYSA-N 1 0 247.220 1.626 50 0 BDAARO C(CN1CCCCC1)[NH2+][C@H]1CCSC1 ZINC000022455871 384762181 /nfs/dbraw/zinc/76/21/81/384762181.db2.gz SFTWTHVKSGANSI-NSHDSACASA-N 1 0 214.378 1.567 50 0 BDAARO c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000022921705 384780302 /nfs/dbraw/zinc/78/03/02/384780302.db2.gz LODPYENASSOOBD-QWHCGFSZSA-N 1 0 202.301 1.480 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000094713526 384821138 /nfs/dbraw/zinc/82/11/38/384821138.db2.gz SAAAMRWSRZIQRF-SECBINFHSA-N 1 0 240.253 1.067 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000026476841 384876878 /nfs/dbraw/zinc/87/68/78/384876878.db2.gz FOIRXKAFHQNPSS-SECBINFHSA-N 1 0 244.132 1.559 50 0 BDAARO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)NC1CC1 ZINC000026907812 384886954 /nfs/dbraw/zinc/88/69/54/384886954.db2.gz BSQANTUEUOLATF-NSHDSACASA-N 1 0 247.342 1.533 50 0 BDAARO CO[C@H]1C[N@H+](Cc2cncs2)CC[C@H]1C ZINC000188310599 384898717 /nfs/dbraw/zinc/89/87/17/384898717.db2.gz UXYBJSJEXNRBGO-KOLCDFICSA-N 1 0 226.345 2.000 50 0 BDAARO C[C@@H](CO)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000127641316 384927975 /nfs/dbraw/zinc/92/79/75/384927975.db2.gz GMPSUFVCWGMMMS-LBPRGKRZSA-N 1 0 249.358 1.016 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c(C)n1 ZINC000070076447 384976344 /nfs/dbraw/zinc/97/63/44/384976344.db2.gz LNEQAIBFAXYPOL-GHMZBOCLSA-N 1 0 247.342 1.521 50 0 BDAARO Cc1noc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072357352 384987720 /nfs/dbraw/zinc/98/77/20/384987720.db2.gz GATBUTVPFKNQJA-NSHDSACASA-N 1 0 237.303 1.694 50 0 BDAARO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106791658 385183532 /nfs/dbraw/zinc/18/35/32/385183532.db2.gz GPDBGZGOZCANGZ-NWDGAFQWSA-N 1 0 242.363 1.089 50 0 BDAARO c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000032915226 385191009 /nfs/dbraw/zinc/19/10/09/385191009.db2.gz LODPYENASSOOBD-CHWSQXEVSA-N 1 0 202.301 1.480 50 0 BDAARO CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000062208827 385166316 /nfs/dbraw/zinc/16/63/16/385166316.db2.gz CXQPTCSGBZTHHU-GXSJLCMTSA-N 1 0 224.691 1.571 50 0 BDAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(N)=O)C1 ZINC000096441704 385167931 /nfs/dbraw/zinc/16/79/31/385167931.db2.gz ZBXZXYBPSXPNKN-RKDXNWHRSA-N 1 0 216.350 1.078 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1C[NH3+] ZINC000107258521 385179524 /nfs/dbraw/zinc/17/95/24/385179524.db2.gz DADYKTRZKFJROI-HTQZYQBOSA-N 1 0 218.272 1.293 50 0 BDAARO [NH3+][C@@H](CC(F)F)C(=O)N1CCCCCC1 ZINC000308853187 385214922 /nfs/dbraw/zinc/21/49/22/385214922.db2.gz RYVZQFOHBZHUAG-QMMMGPOBSA-N 1 0 220.263 1.372 50 0 BDAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC000096483867 385221604 /nfs/dbraw/zinc/22/16/04/385221604.db2.gz HPMCEZYFHSLZSP-JSGCOSHPSA-N 1 0 235.327 1.403 50 0 BDAARO CC[C@@H](C)N(C(=O)CC[NH3+])C1CCCC1 ZINC000065409493 385306358 /nfs/dbraw/zinc/30/63/58/385306358.db2.gz ZUENPHWKXCZSEH-SNVBAGLBSA-N 1 0 212.337 1.905 50 0 BDAARO CC[C@H]([NH2+]C(CO)CO)c1nc(C)c(C)s1 ZINC000065398887 385307165 /nfs/dbraw/zinc/30/71/65/385307165.db2.gz DFLAXTYUQPJCJT-JTQLQIEISA-N 1 0 244.360 1.154 50 0 BDAARO CCN(CC1=CC[N@H+](C)CC1)C(=O)CCOC ZINC000065424208 385309340 /nfs/dbraw/zinc/30/93/40/385309340.db2.gz VLWNPNKZJYDWNN-UHFFFAOYSA-N 1 0 240.347 1.133 50 0 BDAARO O=C1NCCCCC[NH2+][C@H]2CCCC[C@@H]12 ZINC000257179147 385270382 /nfs/dbraw/zinc/27/03/82/385270382.db2.gz CJXSCUFMOJBAJZ-MNOVXSKESA-N 1 0 210.321 1.435 50 0 BDAARO C[NH+](C)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000034081932 385274161 /nfs/dbraw/zinc/27/41/61/385274161.db2.gz FQCYGFFRWTZCGJ-CQSZACIVSA-N 1 0 234.343 1.449 50 0 BDAARO C[C@@H](O)C[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000130765027 385282893 /nfs/dbraw/zinc/28/28/93/385282893.db2.gz QFGPOGDZCVTLFT-SNVBAGLBSA-N 1 0 239.363 1.530 50 0 BDAARO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000130789397 385285517 /nfs/dbraw/zinc/28/55/17/385285517.db2.gz CYWJKBBZNNWCEE-GFCCVEGCSA-N 1 0 249.358 1.494 50 0 BDAARO O=C(/C=C/c1ccccc1F)N1CC[NH2+]CC1 ZINC000019684047 385425894 /nfs/dbraw/zinc/42/58/94/385425894.db2.gz BZSFEHTXSBFEPQ-AATRIKPKSA-N 1 0 234.274 1.271 50 0 BDAARO Cc1noc(-c2ccccc2O[C@@H]2CC[NH2+]C2)n1 ZINC000169676425 385416687 /nfs/dbraw/zinc/41/66/87/385416687.db2.gz VGQYLHHNZBFVGP-SNVBAGLBSA-N 1 0 245.282 1.786 50 0 BDAARO Cc1noc(-c2ccccc2O[C@H]2CC[NH2+]C2)n1 ZINC000169676426 385417159 /nfs/dbraw/zinc/41/71/59/385417159.db2.gz VGQYLHHNZBFVGP-JTQLQIEISA-N 1 0 245.282 1.786 50 0 BDAARO c1cncc(C[NH2+]CCN2CCCC2)c1 ZINC000020126770 385419193 /nfs/dbraw/zinc/41/91/93/385419193.db2.gz CPKVUERJSMTFLN-UHFFFAOYSA-N 1 0 205.305 1.267 50 0 BDAARO CC(C)n1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cn1 ZINC000194541471 385439221 /nfs/dbraw/zinc/43/92/21/385439221.db2.gz PKIGRVBMEHGWRC-OKILXGFUSA-N 1 0 248.374 1.457 50 0 BDAARO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000179499818 385470175 /nfs/dbraw/zinc/47/01/75/385470175.db2.gz KCEHZIMSQLELNY-TZIYXEQSSA-N 1 0 244.338 1.897 50 0 BDAARO CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)[C@@H](C)[NH3+] ZINC000157548568 385507555 /nfs/dbraw/zinc/50/75/55/385507555.db2.gz PTQYFNJOKSJNHQ-GMTAPVOTSA-N 1 0 242.363 1.386 50 0 BDAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000229241566 385589132 /nfs/dbraw/zinc/58/91/32/385589132.db2.gz CUPLIXNZYXWLEY-QWHCGFSZSA-N 1 0 237.347 1.509 50 0 BDAARO CNc1ccccc1C1=[NH+][C@H]2C=CC=C[C@H]2N1 ZINC000222377715 385657120 /nfs/dbraw/zinc/65/71/20/385657120.db2.gz SWFKKAOUQQAALN-BETUJISGSA-N 1 0 225.295 1.941 50 0 BDAARO CCC[C@@H]1CCC[N@H+](C[C@@H](O)COCC)C1 ZINC000229944464 385689833 /nfs/dbraw/zinc/68/98/33/385689833.db2.gz XDIKIVYATUGJNT-CHWSQXEVSA-N 1 0 229.364 1.896 50 0 BDAARO C[C@H](Cc1ccccc1)NNC[C@@H](C)C[NH+](C)C ZINC000071773089 385938859 /nfs/dbraw/zinc/93/88/59/385938859.db2.gz AMWQKRZOKPAZHA-ZIAGYGMSSA-N 1 0 249.402 1.910 50 0 BDAARO Cc1ccnc(OCC2CC[NH2+]CC2)c1 ZINC000051869981 386142336 /nfs/dbraw/zinc/14/23/36/386142336.db2.gz ZXSCYMIGVHYHKT-UHFFFAOYSA-N 1 0 206.289 1.768 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000063193448 386367022 /nfs/dbraw/zinc/36/70/22/386367022.db2.gz URMPFFHQGBNZQP-JQWIXIFHSA-N 1 0 233.315 1.424 50 0 BDAARO CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@H](C)O1 ZINC000237040070 386397393 /nfs/dbraw/zinc/39/73/93/386397393.db2.gz ZJKDRENIGAOQQI-SRVKXCTJSA-N 1 0 242.363 1.386 50 0 BDAARO CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2[NH3+])CC1 ZINC000238852473 386535344 /nfs/dbraw/zinc/53/53/44/386535344.db2.gz GFMLQHVAEWRLIF-WDEREUQCSA-N 1 0 240.347 1.981 50 0 BDAARO CC(C)[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000585123509 386678203 /nfs/dbraw/zinc/67/82/03/386678203.db2.gz JBWZMVUWRSACOI-YNEHKIRRSA-N 1 0 227.348 1.098 50 0 BDAARO c1cncc(N2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000003937363 386780944 /nfs/dbraw/zinc/78/09/44/386780944.db2.gz NXIPMBQVNTWEEX-LBPRGKRZSA-N 1 0 203.289 1.414 50 0 in-man BDAARO C[NH+](C)C[C@@H]1CN(CC2CCCC2)CCO1 ZINC000075133132 386985217 /nfs/dbraw/zinc/98/52/17/386985217.db2.gz MUHVJCIWALFETQ-CYBMUJFWSA-N 1 0 226.364 1.439 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1c(C)cc(OC)nc1C ZINC000331234506 386996575 /nfs/dbraw/zinc/99/65/75/386996575.db2.gz SMELGWSYRWKXEW-NSHDSACASA-N 1 0 238.331 1.568 50 0 BDAARO CN(CC[NH+]1CCCC1)c1ncc(Cl)cn1 ZINC000359003328 387043582 /nfs/dbraw/zinc/04/35/82/387043582.db2.gz NOJRTPLTGFOGRJ-UHFFFAOYSA-N 1 0 240.738 1.662 50 0 BDAARO [NH3+][C@H]1CCC[C@H](C(=O)N2CCc3ccncc32)C1 ZINC000335004424 387099164 /nfs/dbraw/zinc/09/91/64/387099164.db2.gz BYTQTIVDQWOKFE-RYUDHWBXSA-N 1 0 245.326 1.488 50 0 BDAARO C[C@]1(F)CCC[N@H+](CCN2CCCC2=O)C1 ZINC000336268690 387101970 /nfs/dbraw/zinc/10/19/70/387101970.db2.gz DOOPFCMCCSDGFP-LBPRGKRZSA-N 1 0 228.311 1.433 50 0 BDAARO CC[NH+](CC)CCCN1CC[C@H](O)[C@H](C)C1 ZINC000191840947 387161849 /nfs/dbraw/zinc/16/18/49/387161849.db2.gz JBUVYFZUJLISHT-OLZOCXBDSA-N 1 0 228.380 1.421 50 0 BDAARO CN(CCc1ccccc1)C(=O)CC1([NH3+])CCC1 ZINC000094294618 387225072 /nfs/dbraw/zinc/22/50/72/387225072.db2.gz XPZMJBGRSRQANB-UHFFFAOYSA-N 1 0 246.354 1.959 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000089534585 387275236 /nfs/dbraw/zinc/27/52/36/387275236.db2.gz BPVUKGIBFPJYQF-LLVKDONJSA-N 1 0 245.330 1.582 50 0 BDAARO C[C@H](CC(N)=O)[NH2+]CCc1ccccc1F ZINC000075568162 387292220 /nfs/dbraw/zinc/29/22/20/387292220.db2.gz VSVLASWFAJHTQU-SECBINFHSA-N 1 0 224.279 1.222 50 0 BDAARO FC(F)(F)C1CC[NH+](CCn2cncn2)CC1 ZINC000075996471 387450032 /nfs/dbraw/zinc/45/00/32/387450032.db2.gz YRUCQLGLSOSOCL-UHFFFAOYSA-N 1 0 248.252 1.552 50 0 BDAARO C[C@H]([NH3+])C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121873792 387547742 /nfs/dbraw/zinc/54/77/42/387547742.db2.gz IZYLTBWMEFRICJ-ZETCQYMHSA-N 1 0 238.253 1.525 50 0 BDAARO c1ccc([C@@H]2C[NH2+]C[C@H]2COCC2CC2)nc1 ZINC000253406426 387857250 /nfs/dbraw/zinc/85/72/50/387857250.db2.gz IXVILJHHVJFQSV-QWHCGFSZSA-N 1 0 232.327 1.811 50 0 BDAARO C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(=O)C(C)(C)C ZINC000238850844 387936178 /nfs/dbraw/zinc/93/61/78/387936178.db2.gz CYHXMDGVHQPUBV-OPRDCNLKSA-N 1 0 210.321 1.241 50 0 BDAARO C=CC(=O)NCC1CC[NH+](CCC)CC1 ZINC000521396829 387926184 /nfs/dbraw/zinc/92/61/84/387926184.db2.gz XOFXXUASZVMVIS-UHFFFAOYSA-N 1 0 210.321 1.411 50 0 BDAARO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C1CCSCC1 ZINC000065456667 387946494 /nfs/dbraw/zinc/94/64/94/387946494.db2.gz AUSRIMFAZLVZLZ-MNOVXSKESA-N 1 0 240.372 1.235 50 0 BDAARO Cc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)c(C)c1 ZINC000105472668 387991074 /nfs/dbraw/zinc/99/10/74/387991074.db2.gz AACGGERZZDRTLZ-HNNXBMFYSA-N 1 0 248.370 1.724 50 0 BDAARO Cc1cc(C)cc(C[NH2+]C[C@H]2CN(C)CCO2)c1 ZINC000105471176 387984066 /nfs/dbraw/zinc/98/40/66/387984066.db2.gz DSFOBGZGYYUGFS-HNNXBMFYSA-N 1 0 248.370 1.724 50 0 BDAARO c1ccc(OCCNC2=[NH+]CCCN2)cc1 ZINC000065503221 388036232 /nfs/dbraw/zinc/03/62/32/388036232.db2.gz FWLWZPWDBSQEDY-UHFFFAOYSA-N 1 0 219.288 1.004 50 0 BDAARO CCO[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000042424841 388093285 /nfs/dbraw/zinc/09/32/85/388093285.db2.gz VMSPHFYUYXNVTI-NEPJUHHUSA-N 1 0 240.347 1.156 50 0 BDAARO c1ccn2c(c1)nnc2OCC[NH+]1CCCCC1 ZINC000170614876 388258119 /nfs/dbraw/zinc/25/81/19/388258119.db2.gz KHILQHJWKDDOQU-UHFFFAOYSA-N 1 0 246.314 1.594 50 0 BDAARO C[C@@H](CO)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000037258161 388242900 /nfs/dbraw/zinc/24/29/00/388242900.db2.gz VBQGFAMFQOTPSQ-NSHDSACASA-N 1 0 235.331 1.021 50 0 BDAARO Cc1cc(C(=O)N2CCC[NH2+]CC2)ccc1F ZINC000057527120 388361445 /nfs/dbraw/zinc/36/14/45/388361445.db2.gz HPZXVNGFNLLROT-UHFFFAOYSA-N 1 0 236.290 1.570 50 0 BDAARO Cc1noc([C@H](C)N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000089718533 388363458 /nfs/dbraw/zinc/36/34/58/388363458.db2.gz GTAGSBKVJLOMTD-IUCAKERBSA-N 1 0 224.308 1.075 50 0 BDAARO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)C[NH3+] ZINC000377144893 388405603 /nfs/dbraw/zinc/40/56/03/388405603.db2.gz MBSGPBMSGZVDSU-UHIISALHSA-N 1 0 248.326 1.322 50 0 BDAARO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)NC)C1(C)C ZINC000089985605 388379345 /nfs/dbraw/zinc/37/93/45/388379345.db2.gz HUZUOXIZTNCEQM-QWRGUYRKSA-N 1 0 242.363 1.258 50 0 BDAARO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC)C1(C)C ZINC000089985607 388379440 /nfs/dbraw/zinc/37/94/40/388379440.db2.gz HUZUOXIZTNCEQM-GHMZBOCLSA-N 1 0 242.363 1.258 50 0 BDAARO CCS(=O)(=O)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000076148947 388381440 /nfs/dbraw/zinc/38/14/40/388381440.db2.gz VBTIMLISJQLTOI-QWRGUYRKSA-N 1 0 233.377 1.542 50 0 BDAARO COC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000090182128 388395788 /nfs/dbraw/zinc/39/57/88/388395788.db2.gz SJNIRGLWSDIWDS-JQWIXIFHSA-N 1 0 240.347 1.010 50 0 BDAARO c1cnn(C[C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)c1 ZINC000071875418 388447320 /nfs/dbraw/zinc/44/73/20/388447320.db2.gz YMUZQQRZFXONHJ-KGLIPLIRSA-N 1 0 249.358 1.917 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2ccc(C)o2)c1 ZINC000071877356 388447628 /nfs/dbraw/zinc/44/76/28/388447628.db2.gz OQERSRRHOMZPMR-UHFFFAOYSA-N 1 0 219.288 1.883 50 0 BDAARO C1[C@@H](NC2=[NH+]CCCN2)[C@H]1C1CCCCC1 ZINC000195530946 388477486 /nfs/dbraw/zinc/47/74/86/388477486.db2.gz XVIACNPTRXUMFI-VXGBXAGGSA-N 1 0 221.348 1.894 50 0 BDAARO Cc1nc(CC[NH3+])cc(NC2CCC2)n1 ZINC000067983029 388408559 /nfs/dbraw/zinc/40/85/59/388408559.db2.gz RZYYFIIEVQRTLM-UHFFFAOYSA-N 1 0 206.293 1.251 50 0 BDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069463741 388416219 /nfs/dbraw/zinc/41/62/19/388416219.db2.gz GUIYQEAUQYMLOD-MNOVXSKESA-N 1 0 233.319 1.654 50 0 BDAARO c1cnn(C[C@@H]2C[N@H+](CC3CCCC3)CCO2)c1 ZINC000069483750 388417499 /nfs/dbraw/zinc/41/74/99/388417499.db2.gz XBCXCFFSXAHCIJ-AWEZNQCLSA-N 1 0 249.358 1.774 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2nccn2C)c1 ZINC000069511851 388418742 /nfs/dbraw/zinc/41/87/42/388418742.db2.gz NZRPGTPZDOTSCY-LLVKDONJSA-N 1 0 233.319 1.103 50 0 BDAARO C[C@@H]1C[C@H]([NH+]2CCCCCCC2)C(=O)O1 ZINC000069658455 388423359 /nfs/dbraw/zinc/42/33/59/388423359.db2.gz GWLINXJLVCCKFQ-MNOVXSKESA-N 1 0 211.305 1.957 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2nc(C)ccc2O)c1 ZINC000069897851 388430079 /nfs/dbraw/zinc/43/00/79/388430079.db2.gz ODEBGJBXCVXHKT-UHFFFAOYSA-N 1 0 246.314 1.390 50 0 BDAARO O=S1(=O)CC[C@H]2C[N@@H+]([C@H]3C=CCCC3)C[C@H]21 ZINC000253417536 388592239 /nfs/dbraw/zinc/59/22/39/388592239.db2.gz SGGVXEIRZCRGPQ-SDDRHHMPSA-N 1 0 241.356 1.214 50 0 BDAARO c1csc(N2CCC([NH2+]C3CC3)CC2)n1 ZINC000134746582 388594102 /nfs/dbraw/zinc/59/41/02/388594102.db2.gz IDCVWPVNIFIRIW-UHFFFAOYSA-N 1 0 223.345 1.864 50 0 BDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)SC ZINC000066125550 388620487 /nfs/dbraw/zinc/62/04/87/388620487.db2.gz IVXSZLGTZKQMEC-NXEZZACHSA-N 1 0 232.393 1.584 50 0 BDAARO c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000147226502 388684877 /nfs/dbraw/zinc/68/48/77/388684877.db2.gz YKUAUELLNOWIHE-ZDUSSCGKSA-N 1 0 204.317 1.918 50 0 BDAARO Cn1c(C[NH2+][C@H]2CCCOC2)nc2ccccc21 ZINC000111237108 388658776 /nfs/dbraw/zinc/65/87/76/388658776.db2.gz RTOOSNZXJJASRO-NSHDSACASA-N 1 0 245.326 1.842 50 0 BDAARO Cc1cc(C)cc(C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000111366226 388660182 /nfs/dbraw/zinc/66/01/82/388660182.db2.gz DRAZIHJOAKKWNH-CYBMUJFWSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1c(C[NH2+][C@@H](C)C[C@@H]2CCOC2)cnn1C ZINC000095975170 388798272 /nfs/dbraw/zinc/79/82/72/388798272.db2.gz WLNQOCSSZMZVBS-JQWIXIFHSA-N 1 0 237.347 1.633 50 0 BDAARO CN1CCC([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 ZINC000095423800 388769245 /nfs/dbraw/zinc/76/92/45/388769245.db2.gz YMUYHSLEGBPDRN-MCIONIFRSA-N 1 0 238.375 1.628 50 0 BDAARO Cc1ccc(F)c(C[NH2+]CCC(N)=O)c1 ZINC000097037616 388832010 /nfs/dbraw/zinc/83/20/10/388832010.db2.gz FSKZWTXWFQTUCR-UHFFFAOYSA-N 1 0 210.252 1.099 50 0 BDAARO CSCC[C@H](CO)[NH2+][C@H]1CCCSC1 ZINC000097084641 388833905 /nfs/dbraw/zinc/83/39/05/388833905.db2.gz ZGOUXWWBODZQFY-ZJUUUORDSA-N 1 0 235.418 1.586 50 0 BDAARO C[C@]1(CO)CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000225532025 388834966 /nfs/dbraw/zinc/83/49/66/388834966.db2.gz SOCSEMDYGKVARP-OLZOCXBDSA-N 1 0 243.347 1.234 50 0 BDAARO c1nnc([C@H]2CCC[NH2+]2)n1C1CCCC1 ZINC000054526455 388836898 /nfs/dbraw/zinc/83/68/98/388836898.db2.gz WFRXIUVGRQDRCY-SNVBAGLBSA-N 1 0 206.293 1.818 50 0 BDAARO Cc1cc(-c2c[nH]nc2C2CC[NH2+]CC2)on1 ZINC000091690488 177680896 /nfs/dbraw/zinc/68/08/96/177680896.db2.gz QVITUTSAUZQVRZ-UHFFFAOYSA-N 1 0 232.287 1.840 50 0 BDAARO C/C=C(\C)C[NH+]1CCN(c2ncccn2)CC1 ZINC000023282093 533430442 /nfs/dbraw/zinc/43/04/42/533430442.db2.gz DKVHNYXKHGSODA-KGVSQERTSA-N 1 0 232.331 1.565 50 0 BDAARO C[C@H]([NH3+])c1ccccc1N1CCOCC1 ZINC000019871981 132328240 /nfs/dbraw/zinc/32/82/40/132328240.db2.gz CMFWBSAZPHINIF-JTQLQIEISA-N 1 0 206.289 1.543 50 0 BDAARO CC1CCN(c2ccc(C[NH3+])cn2)CC1 ZINC000021957929 132332075 /nfs/dbraw/zinc/33/20/75/132332075.db2.gz DZSHCTVBAXQSAR-UHFFFAOYSA-N 1 0 205.305 1.777 50 0 BDAARO O=C1OCc2ccccc2N1C1CC[NH2+]CC1 ZINC000021987718 132332322 /nfs/dbraw/zinc/33/23/22/132332322.db2.gz QKTKCZPATIBTBT-UHFFFAOYSA-N 1 0 232.283 1.895 50 0 BDAARO c1cc2ccncc2c(N2CC[NH2+]CC2)c1 ZINC000026896014 132333752 /nfs/dbraw/zinc/33/37/52/132333752.db2.gz SLTPPQIDSQSJIC-UHFFFAOYSA-N 1 0 213.284 1.644 50 0 in-vitro BDAARO C[C@H]([NH3+])C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000037020045 132343468 /nfs/dbraw/zinc/34/34/68/132343468.db2.gz LRPNQZDOUTXNKI-JTQLQIEISA-N 1 0 248.330 1.358 50 0 BDAARO C[NH2+]C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000037756701 132345323 /nfs/dbraw/zinc/34/53/23/132345323.db2.gz WNLJTZLFYGRZBD-UHFFFAOYSA-N 1 0 220.320 1.282 50 0 BDAARO Cc1cc(F)ccc1N1CCC[C@@H]([NH3+])C1=O ZINC000068575111 132389918 /nfs/dbraw/zinc/38/99/18/132389918.db2.gz WAGKQOPBNXIWDM-SNVBAGLBSA-N 1 0 222.263 1.588 50 0 BDAARO [NH3+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000070061729 132391040 /nfs/dbraw/zinc/39/10/40/132391040.db2.gz XVBRVRUTRBSVGR-VIFPVBQESA-N 1 0 224.691 1.794 50 0 BDAARO Cc1ccc(N2CCC[C@@H]([NH3+])C2=O)cc1 ZINC000070061958 132391043 /nfs/dbraw/zinc/39/10/43/132391043.db2.gz ALFRLDRBHXSXKE-LLVKDONJSA-N 1 0 204.273 1.449 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000253397314 135126673 /nfs/dbraw/zinc/12/66/73/135126673.db2.gz XOMCCNFVZYDPGH-JHJVBQTASA-N 1 0 237.347 1.412 50 0 BDAARO Nc1nccc(-c2cccn2C[C@H]2CC[NH2+]C2)n1 ZINC000299803755 135206974 /nfs/dbraw/zinc/20/69/74/135206974.db2.gz AZROCNAOJKAKSE-JTQLQIEISA-N 1 0 243.314 1.137 50 0 BDAARO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1F ZINC000097371030 397928680 /nfs/dbraw/zinc/92/86/80/397928680.db2.gz YEJKKXRRJABUHC-VIFPVBQESA-N 1 0 238.306 1.988 50 0 BDAARO Cc1ccc(C[N@@H+](C)[C@H](C)CC(N)=O)cc1 ZINC000097371262 397929718 /nfs/dbraw/zinc/92/97/18/397929718.db2.gz HIPGMSBLQSUBHI-LLVKDONJSA-N 1 0 220.316 1.691 50 0 BDAARO CCCn1ccc2ccn(CC[NH+](C)C)c2c1=O ZINC000065224781 397941539 /nfs/dbraw/zinc/94/15/39/397941539.db2.gz JVMZCTICCGUYNH-UHFFFAOYSA-N 1 0 247.342 1.775 50 0 BDAARO c1cnn(CC[NH2+]Cc2ccccn2)c1 ZINC000042351685 398013903 /nfs/dbraw/zinc/01/39/03/398013903.db2.gz KHKNQPMUKPHMQP-UHFFFAOYSA-N 1 0 202.261 1.068 50 0 BDAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ncnn2C)C1(C)C ZINC000181840724 398043146 /nfs/dbraw/zinc/04/31/46/398043146.db2.gz FWICURKQOKOFBM-ZJUUUORDSA-N 1 0 238.335 1.108 50 0 BDAARO COC[C@H](C)NC(=O)C[N@H+](C)C1CCCCC1 ZINC000058160983 398071223 /nfs/dbraw/zinc/07/12/23/398071223.db2.gz NVJCNDFCGZKUER-NSHDSACASA-N 1 0 242.363 1.402 50 0 BDAARO CC(C)[NH2+]C[C@H](O)C[S@@](=O)c1ccccc1 ZINC000096027599 167114432 /nfs/dbraw/zinc/11/44/32/167114432.db2.gz ZLIQXOGPWGCZES-ZBEGNZNMSA-N 1 0 241.356 1.153 50 0 BDAARO CC(C)[NH2+]C[C@H](O)c1ccc2c(c1)CCO2 ZINC000055028865 167114609 /nfs/dbraw/zinc/11/46/09/167114609.db2.gz ZYJHYHQUZKHUBG-LBPRGKRZSA-N 1 0 221.300 1.653 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000255192982 322918226 /nfs/dbraw/zinc/91/82/26/322918226.db2.gz SJRCDSGTDHLDSW-FMFIFOJESA-N 1 0 245.326 1.305 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C[C@H]2[NH3+])CC1 ZINC000076675080 410061813 /nfs/dbraw/zinc/06/18/13/410061813.db2.gz QZRDFJCRLZNCPN-SECBINFHSA-N 1 0 226.320 1.735 50 0 BDAARO Brc1ccc([C@@H]2C[NH2+]CCN2)s1 ZINC000022463599 166099426 /nfs/dbraw/zinc/09/94/26/166099426.db2.gz WDZOKSYMGVOWFV-LURJTMIESA-N 1 0 247.161 1.745 50 0 BDAARO Brc1cccc(OC2C[NH2+]C2)n1 ZINC000042770145 166101416 /nfs/dbraw/zinc/10/14/16/166101416.db2.gz WHXYKSLAIHXCJU-UHFFFAOYSA-N 1 0 229.077 1.195 50 0 BDAARO Brc1cnc2c(c1)CC[NH2+]C2 ZINC000095642441 166104392 /nfs/dbraw/zinc/10/43/92/166104392.db2.gz YKDQJOHDORCJFU-UHFFFAOYSA-N 1 0 213.078 1.490 50 0 BDAARO CCN(CC)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000004200320 169758483 /nfs/dbraw/zinc/75/84/83/169758483.db2.gz XYSWMPMQILGZRX-GFCCVEGCSA-N 1 0 220.316 1.425 50 0 BDAARO CC(C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000041044042 167072086 /nfs/dbraw/zinc/07/20/86/167072086.db2.gz WWEXPCVBKRSHTO-UHFFFAOYSA-N 1 0 213.325 1.356 50 0 BDAARO CC(C)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000002725750 167096636 /nfs/dbraw/zinc/09/66/36/167096636.db2.gz ADQMOIJQCHRXHQ-UHFFFAOYSA-N 1 0 210.252 1.762 50 0 BDAARO CC(C)OCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136136310 167220129 /nfs/dbraw/zinc/22/01/29/167220129.db2.gz SCNSJKMMYVNCIQ-ZDUSSCGKSA-N 1 0 242.363 1.450 50 0 BDAARO CC(C)Oc1ccccc1CN1CC[NH2+]CC1 ZINC000022752514 167309549 /nfs/dbraw/zinc/30/95/49/167309549.db2.gz UFOUCZAOCSAYOA-UHFFFAOYSA-N 1 0 234.343 1.879 50 0 BDAARO CC(C)[C@@H](C(=O)Nc1cccnc1)[NH+](C)C ZINC000106424692 167345473 /nfs/dbraw/zinc/34/54/73/167345473.db2.gz FSUSGZALVGSPOD-NSHDSACASA-N 1 0 221.304 1.606 50 0 BDAARO CC(C)=CC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000046860381 411085012 /nfs/dbraw/zinc/08/50/12/411085012.db2.gz KJLLGEWAPLGRDA-LBPRGKRZSA-N 1 0 224.348 1.943 50 0 BDAARO Nc1nc(C[NH2+][C@H]2CCCSC2)cs1 ZINC000584888527 411284734 /nfs/dbraw/zinc/28/47/34/411284734.db2.gz SDFVZVMNBJSWPQ-ZETCQYMHSA-N 1 0 229.374 1.711 50 0 BDAARO CC1(C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@@H]2CCO[C@@H]21 ZINC000195558581 168014482 /nfs/dbraw/zinc/01/44/82/168014482.db2.gz HZEKLJINIFYEKT-OFTGVCEQSA-N 1 0 237.343 1.327 50 0 BDAARO CC1CCN(C(=O)n2cc[n+](C)c2)CC1 ZINC000032628715 168177095 /nfs/dbraw/zinc/17/70/95/168177095.db2.gz RZMCPKULXSAASP-UHFFFAOYSA-N 1 0 208.285 1.013 50 0 BDAARO CCC(=O)CCC[NH+]1CCC([C@H](C)O)CC1 ZINC000232852606 168198739 /nfs/dbraw/zinc/19/87/39/168198739.db2.gz KUARRPCSZMIEFM-NSHDSACASA-N 1 0 227.348 1.839 50 0 BDAARO CCN1CCO[C@H](C[NH2+]C2CCCC2)C1 ZINC000069774145 170006419 /nfs/dbraw/zinc/00/64/19/170006419.db2.gz JSEJDTVMDYQDKE-GFCCVEGCSA-N 1 0 212.337 1.239 50 0 BDAARO CC[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000090460224 170121181 /nfs/dbraw/zinc/12/11/81/170121181.db2.gz RWZANZNCCFYETP-CQSZACIVSA-N 1 0 234.343 1.497 50 0 BDAARO CC[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000004593488 170125313 /nfs/dbraw/zinc/12/53/13/170125313.db2.gz QPQNXVQNQPBGNJ-UHFFFAOYSA-N 1 0 225.288 1.822 50 0 BDAARO CC[NH2+][C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000065740984 170138863 /nfs/dbraw/zinc/13/88/63/170138863.db2.gz MJEMIOXXNCZZFK-QMMMGPOBSA-N 1 0 221.256 1.596 50 0 in-vitro BDAARO CC[NH2+][C@H](C(N)=O)c1ccc(F)c(F)c1 ZINC000036379438 170155692 /nfs/dbraw/zinc/15/56/92/170155692.db2.gz SEFBBQVIYSWSIJ-VIFPVBQESA-N 1 0 214.215 1.101 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1cccnc1 ZINC000019736871 170209190 /nfs/dbraw/zinc/20/91/90/170209190.db2.gz PASHPBRYVXNGTI-UHFFFAOYSA-N 1 0 208.261 1.124 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1ccc(F)cc1 ZINC000003028171 170209331 /nfs/dbraw/zinc/20/93/31/170209331.db2.gz NRDBQLCGASIDOB-UHFFFAOYSA-N 1 0 225.263 1.869 50 0 BDAARO CCOC(=O)[C@@H](C)Cc1cccc(C[NH3+])c1 ZINC000012359904 170246375 /nfs/dbraw/zinc/24/63/75/170246375.db2.gz CRAZCZJESBOUFQ-JTQLQIEISA-N 1 0 221.300 1.887 50 0 BDAARO CCOC(=O)[C@@H](C)[N@@H+]1CCC2(CCC2)C1 ZINC000123022881 170247648 /nfs/dbraw/zinc/24/76/48/170247648.db2.gz OWRIXYWRIMIHSH-SNVBAGLBSA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]2C1 ZINC000039240993 170259420 /nfs/dbraw/zinc/25/94/20/170259420.db2.gz ICWZXKPBSHGFEO-GHMZBOCLSA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)[C@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000020580209 170273348 /nfs/dbraw/zinc/27/33/48/170273348.db2.gz PGUZJRQJDGYKNN-VIFPVBQESA-N 1 0 243.253 1.645 50 0 BDAARO CCOC(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000038580843 170297011 /nfs/dbraw/zinc/29/70/11/170297011.db2.gz JOQPZTQGIMHZOS-UHFFFAOYSA-N 1 0 249.310 1.994 50 0 BDAARO CCOCCCN(CCC[NH3+])Cc1ccco1 ZINC000032919814 170371659 /nfs/dbraw/zinc/37/16/59/170371659.db2.gz LHYFPBCXOHOFLS-UHFFFAOYSA-N 1 0 240.347 1.857 50 0 BDAARO CCOc1cccc(CN2CC[NH2+]CC2)c1 ZINC000032013761 170576197 /nfs/dbraw/zinc/57/61/97/170576197.db2.gz DHSRFVOLCMYNDQ-UHFFFAOYSA-N 1 0 220.316 1.491 50 0 BDAARO CC[C@@H]1C[N@H+](CC(N)=O)CC[C@H]1c1ccccc1 ZINC000245289807 171075406 /nfs/dbraw/zinc/07/54/06/171075406.db2.gz FFWSOQPHWCAMLX-TZMCWYRMSA-N 1 0 246.354 1.987 50 0 BDAARO CC[C@@](C)(CCO)[NH2+]Cc1cnn(C)c1 ZINC000166048480 171166588 /nfs/dbraw/zinc/16/65/88/171166588.db2.gz YIZMCWDABBGZLW-NSHDSACASA-N 1 0 211.309 1.061 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000037022729 171605999 /nfs/dbraw/zinc/60/59/99/171605999.db2.gz NCJWFUVOHXYXCM-QWRGUYRKSA-N 1 0 210.321 1.530 50 0 BDAARO CCc1nccn1CCC[NH2+][C@@H]1CCSC1 ZINC000065387993 172025351 /nfs/dbraw/zinc/02/53/51/172025351.db2.gz OLJWCPJVGQLPEX-LLVKDONJSA-N 1 0 239.388 1.931 50 0 BDAARO CCn1c2ccc(N)cc2[nH+]c1CCCO ZINC000006678481 172143426 /nfs/dbraw/zinc/14/34/26/172143426.db2.gz RNQNXMRDJIUSDJ-UHFFFAOYSA-N 1 0 219.288 1.563 50 0 BDAARO CN(C(=O)CCC[NH3+])c1ccc(F)cc1 ZINC000077303936 172303772 /nfs/dbraw/zinc/30/37/72/172303772.db2.gz GLCIEJKZWTXLBW-UHFFFAOYSA-N 1 0 210.252 1.527 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@H]1CC[NH2+]C[C@@H]1F ZINC000141513178 172325325 /nfs/dbraw/zinc/32/53/25/172325325.db2.gz VGCKWWMMIKCCKU-IUCAKERBSA-N 1 0 232.299 1.553 50 0 BDAARO CN(C)C(=O)CCc1cccc([C@H]2CCC[NH2+]2)n1 ZINC000252508566 172361790 /nfs/dbraw/zinc/36/17/90/172361790.db2.gz XPBKQNOGNYETBW-GFCCVEGCSA-N 1 0 247.342 1.527 50 0 BDAARO CN(C)C(=O)CCc1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000252508567 172361976 /nfs/dbraw/zinc/36/19/76/172361976.db2.gz XPBKQNOGNYETBW-LBPRGKRZSA-N 1 0 247.342 1.527 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069697655 172365491 /nfs/dbraw/zinc/36/54/91/172365491.db2.gz LVLCJAQKJKGTEB-CYBMUJFWSA-N 1 0 232.327 1.564 50 0 BDAARO C[NH+](C)C(C)(C)CNC(=O)/C=C\c1cccnc1 ZINC000103396180 172393398 /nfs/dbraw/zinc/39/33/98/172393398.db2.gz AFPNFBVTXOUXNU-FPLPWBNLSA-N 1 0 247.342 1.551 50 0 BDAARO C[N@@H+]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000032820124 173012783 /nfs/dbraw/zinc/01/27/83/173012783.db2.gz KPIYWECGEFCZBM-LBPRGKRZSA-N 1 0 222.332 1.507 50 0 BDAARO C[NH+]1CCN(CCOc2ccc(O)cc2)CC1 ZINC000116944439 173081044 /nfs/dbraw/zinc/08/10/44/173081044.db2.gz MMPWQCVGACEENP-UHFFFAOYSA-N 1 0 236.315 1.018 50 0 BDAARO CN1C[C@@H]([NH2+]C2Cc3ccccc3C2)CCC1=O ZINC000084059460 173186732 /nfs/dbraw/zinc/18/67/32/173186732.db2.gz LHGRWIGZJQKIJA-ZDUSSCGKSA-N 1 0 244.338 1.364 50 0 BDAARO CN1C[N+](=O)C(c2ccccc2)C1(C)C ZINC000019325694 173199027 /nfs/dbraw/zinc/19/90/27/173199027.db2.gz IGOXBTYEPVQGKZ-UHFFFAOYSA-N 1 0 204.273 1.668 50 0 BDAARO CNC(=O)C(C)(C)C[NH2+][C@H](C)CC1CC1 ZINC000095462767 173219673 /nfs/dbraw/zinc/21/96/73/173219673.db2.gz IATIXHKPSAWPHP-SECBINFHSA-N 1 0 212.337 1.537 50 0 BDAARO CNC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000020940261 173273254 /nfs/dbraw/zinc/27/32/54/173273254.db2.gz ZYKOJPBFJVUPCO-UHFFFAOYSA-N 1 0 246.354 1.687 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000065575476 173273578 /nfs/dbraw/zinc/27/35/78/173273578.db2.gz MVTFQLDVINESNU-ZDUSSCGKSA-N 1 0 232.327 1.878 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000046089299 173273609 /nfs/dbraw/zinc/27/36/09/173273609.db2.gz RDKILZFTIFWWJS-JTQLQIEISA-N 1 0 224.329 1.631 50 0 BDAARO CNC(=O)C[C@H]([NH3+])c1c(F)cccc1Cl ZINC000038526339 173283036 /nfs/dbraw/zinc/28/30/36/173283036.db2.gz WJIHCGUHCBAXFN-QMMMGPOBSA-N 1 0 230.670 1.615 50 0 BDAARO CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000095435975 173288974 /nfs/dbraw/zinc/28/89/74/173288974.db2.gz AWAXJLCRTPUGEK-UHFFFAOYSA-N 1 0 249.358 1.826 50 0 BDAARO CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000071862954 173290760 /nfs/dbraw/zinc/29/07/60/173290760.db2.gz WOCNABBLCIHVPE-JTQLQIEISA-N 1 0 237.303 1.346 50 0 BDAARO C[NH2+]CC(=O)N1CCC[C@H]1Cc1ccc(C)cc1 ZINC000083888442 173326498 /nfs/dbraw/zinc/32/64/98/173326498.db2.gz SYHFECKUERYUKI-AWEZNQCLSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]CC(=O)N1C[C@H](C)CN(C)c2ccccc21 ZINC000152301071 173327425 /nfs/dbraw/zinc/32/74/25/173327425.db2.gz SOFRWCXNBBPKIT-LLVKDONJSA-N 1 0 247.342 1.325 50 0 BDAARO C[NH2+]CC(=O)Nc1ccc(Br)cn1 ZINC000034938004 173333540 /nfs/dbraw/zinc/33/35/40/173333540.db2.gz ZPKMZTAFTFNGDE-UHFFFAOYSA-N 1 0 244.092 1.002 50 0 BDAARO C[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000873740 173365613 /nfs/dbraw/zinc/36/56/13/173365613.db2.gz HLHFHHPIYHTRLK-CYBMUJFWSA-N 1 0 231.295 1.799 50 0 BDAARO C[NH2+]C[C@@H](O)Cn1ccc2ccccc21 ZINC000000818950 173365873 /nfs/dbraw/zinc/36/58/73/173365873.db2.gz CYFIXMHPZSFQFE-LLVKDONJSA-N 1 0 204.273 1.222 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000071143311 173369480 /nfs/dbraw/zinc/36/94/80/173369480.db2.gz QPUCMQWMTSRIBV-ZDUSSCGKSA-N 1 0 246.354 1.985 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(OC)cc2)C1 ZINC000071143981 173369693 /nfs/dbraw/zinc/36/96/93/173369693.db2.gz YDJKKUJJHPJNGA-NSHDSACASA-N 1 0 248.326 1.377 50 0 BDAARO C[NH2+]C[C@H](C)CNC(=O)c1ccc(C)o1 ZINC000132670714 173375180 /nfs/dbraw/zinc/37/51/80/173375180.db2.gz LCJJZSXDYUSVNV-QMMMGPOBSA-N 1 0 210.277 1.173 50 0 BDAARO C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000019865049 173376771 /nfs/dbraw/zinc/37/67/71/173376771.db2.gz BBEFWFGTHPTATJ-VIFPVBQESA-N 1 0 249.232 1.665 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC000071143996 173381103 /nfs/dbraw/zinc/38/11/03/173381103.db2.gz OMNHJMSUJYVVEK-GFCCVEGCSA-N 1 0 232.327 1.677 50 0 BDAARO C[NH2+]Cc1ccc(-c2ccn(C)n2)cc1 ZINC000012370178 173388411 /nfs/dbraw/zinc/38/84/11/173388411.db2.gz BBOCGPKUAXCMLG-UHFFFAOYSA-N 1 0 201.273 1.807 50 0 BDAARO COC(=O)c1[nH]c2ccccc2c1C[NH3+] ZINC000005700665 173840751 /nfs/dbraw/zinc/84/07/51/173840751.db2.gz RLYPYCFUXGOUCS-UHFFFAOYSA-N 1 0 204.229 1.413 50 0 BDAARO COC(=O)c1ccc(CSC(N)=[NH2+])cc1 ZINC000003865405 173879710 /nfs/dbraw/zinc/87/97/10/173879710.db2.gz DJGDEDOXUYXGOB-UHFFFAOYSA-N 1 0 224.285 1.600 50 0 BDAARO COC(=O)c1cccc([C@@H]2CCC[NH2+]C2)c1 ZINC000029245779 173896621 /nfs/dbraw/zinc/89/66/21/173896621.db2.gz OCJMUKWEGRGIEC-GFCCVEGCSA-N 1 0 219.284 1.940 50 0 BDAARO COC(=O)c1cccc(OC[C@@H]2CCC[NH2+]C2)c1 ZINC000014631211 173896759 /nfs/dbraw/zinc/89/67/59/173896759.db2.gz SOWKIGYTDMMYMG-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO COCCCCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000095440464 174171453 /nfs/dbraw/zinc/17/14/53/174171453.db2.gz NFQLFRGXBWBSPX-RYUDHWBXSA-N 1 0 242.363 1.354 50 0 BDAARO COCCC[N@@H+]1Cc2ccc(N)cc2C1 ZINC000036988191 174234826 /nfs/dbraw/zinc/23/48/26/174234826.db2.gz XWZRAKCORTZBKY-UHFFFAOYSA-N 1 0 206.289 1.621 50 0 BDAARO COCCCNC(=O)C[N@H+](C)C1CCCC1 ZINC000053436560 174238261 /nfs/dbraw/zinc/23/82/61/174238261.db2.gz DDXMTIMOSJJRSD-UHFFFAOYSA-N 1 0 228.336 1.014 50 0 BDAARO COCC[N@H+](C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000047549316 174297719 /nfs/dbraw/zinc/29/77/19/174297719.db2.gz OECDEOYNZSIQTC-BETUJISGSA-N 1 0 243.347 1.293 50 0 BDAARO COCC[N@H+](Cc1ccc(C)o1)[C@@H]1CCOC1 ZINC000355901984 174298744 /nfs/dbraw/zinc/29/87/44/174298744.db2.gz AVQAYHVBLNVTHA-GFCCVEGCSA-N 1 0 239.315 1.825 50 0 BDAARO COCC[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC000230025979 174304178 /nfs/dbraw/zinc/30/41/78/174304178.db2.gz BPIVSDRLPPGKPW-WDEREUQCSA-N 1 0 211.305 1.466 50 0 BDAARO COCC[NH+]1CCc2ccccc2CC1 ZINC000071909401 174315403 /nfs/dbraw/zinc/31/54/03/174315403.db2.gz ATHWCUHWZSEFLA-UHFFFAOYSA-N 1 0 205.301 1.734 50 0 BDAARO COCC[NH2+]CC(=O)Nc1cccc(C)c1C ZINC000002633308 174332508 /nfs/dbraw/zinc/33/25/08/174332508.db2.gz QQYQMMJCXGHVIX-UHFFFAOYSA-N 1 0 236.315 1.478 50 0 BDAARO COCC[NH2+]CCOc1ccccc1C ZINC000002932893 174333053 /nfs/dbraw/zinc/33/30/53/174333053.db2.gz GMNXZUIFWDXNGI-UHFFFAOYSA-N 1 0 209.289 1.610 50 0 BDAARO COCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000004700588 174336344 /nfs/dbraw/zinc/33/63/44/174336344.db2.gz AWNHHXVLWRCHAE-UHFFFAOYSA-N 1 0 225.288 1.440 50 0 BDAARO COc1cc(OC)c(C[C@H](C)[NH3+])c(OC)c1 ZINC000002015683 175007241 /nfs/dbraw/zinc/00/72/41/175007241.db2.gz DDGNOUVDFKXADP-QMMMGPOBSA-N 1 0 225.288 1.602 50 0 in-vitro BDAARO COc1cc(OC)c(OC)cc1CC[C@@H](C)[NH3+] ZINC000001321421 175007309 /nfs/dbraw/zinc/00/73/09/175007309.db2.gz PDUFRZLKPVMEJH-SECBINFHSA-N 1 0 239.315 1.992 50 0 BDAARO COc1cc([C@H](C)[NH3+])ccc1S(C)(=O)=O ZINC000039947721 175015488 /nfs/dbraw/zinc/01/54/88/175015488.db2.gz JMWFOLYLQDCOJN-ZETCQYMHSA-N 1 0 229.301 1.118 50 0 BDAARO COc1cc2c(cc1OC)C[N@H+](C)CC2 ZINC000000391550 175024350 /nfs/dbraw/zinc/02/43/50/175024350.db2.gz TXPPKWZEHFNZOE-UHFFFAOYSA-N 1 0 207.273 1.692 50 0 endogenous,in-man BDAARO COc1cc2c(cc1OC)C[C@H](C)[NH2+]C2 ZINC000004262282 175024600 /nfs/dbraw/zinc/02/46/00/175024600.db2.gz SRXUBSWMMKWIBE-QMMMGPOBSA-N 1 0 207.273 1.738 50 0 BDAARO COc1cc2c(cc1OC)CC[NH2+]CC2 ZINC000012481652 175024903 /nfs/dbraw/zinc/02/49/03/175024903.db2.gz MHKDOURMQPZPAG-UHFFFAOYSA-N 1 0 207.273 1.392 50 0 BDAARO COc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1 ZINC000036889162 175052432 /nfs/dbraw/zinc/05/24/32/175052432.db2.gz BHOFCFDIQKDOMJ-UHFFFAOYSA-N 1 0 218.178 1.998 50 0 BDAARO COc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000019398294 175060647 /nfs/dbraw/zinc/06/06/47/175060647.db2.gz MADYFJKBLUNFBC-LLVKDONJSA-N 1 0 248.326 1.425 50 0 BDAARO COc1ccc(C2=NO[C@H](C[NH3+])C2)cc1F ZINC000083446117 175085246 /nfs/dbraw/zinc/08/52/46/175085246.db2.gz GYNFZWWYGMMAQX-QMMMGPOBSA-N 1 0 224.235 1.286 50 0 BDAARO COc1ccc(CCCC[NH3+])cc1OC ZINC000011596980 175089451 /nfs/dbraw/zinc/08/94/51/175089451.db2.gz WOXHHASCNASPMA-UHFFFAOYSA-N 1 0 209.289 1.985 50 0 BDAARO COc1ccc(CN2CC[NH+]=C2N)cc1OC ZINC000096027828 175099844 /nfs/dbraw/zinc/09/98/44/175099844.db2.gz NFNGPVZQJXDADG-UHFFFAOYSA-N 1 0 235.287 1.044 50 0 BDAARO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cn1 ZINC000062070740 175109877 /nfs/dbraw/zinc/10/98/77/175109877.db2.gz DVSAWAQGAUGMMN-GHMZBOCLSA-N 1 0 222.288 1.093 50 0 BDAARO COc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cn1 ZINC000019409628 175145136 /nfs/dbraw/zinc/14/51/36/175145136.db2.gz AYJOGUWZFXMAHL-JTQLQIEISA-N 1 0 235.287 1.171 50 0 BDAARO COc1ccc([C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)cc1 ZINC000229290067 175182807 /nfs/dbraw/zinc/18/28/07/175182807.db2.gz DJCQMCYREBSNLY-CMPLNLGQSA-N 1 0 248.326 1.358 50 0 BDAARO COc1ccc2c(c1)c1c3n2CC[NH+]=C3NCC1 ZINC000004124008 175218574 /nfs/dbraw/zinc/21/85/74/175218574.db2.gz LKCZMMHEFGFZGG-UHFFFAOYSA-N 1 0 241.294 1.556 50 0 biogenic BDAARO COc1ccc2sc(C)[n+](CCO)c2c1 ZINC000000236058 175232580 /nfs/dbraw/zinc/23/25/80/175232580.db2.gz YRVWJBHLEVDYDN-UHFFFAOYSA-N 1 0 224.305 1.498 50 0 BDAARO COc1cccc(-n2cc(C[NH3+])cn2)c1 ZINC000019088473 175238560 /nfs/dbraw/zinc/23/85/60/175238560.db2.gz KQJJFDIEMLIASM-UHFFFAOYSA-N 1 0 203.245 1.340 50 0 BDAARO COc1cccc(CC(=O)N2CCC([NH3+])CC2)c1 ZINC000019276611 175250060 /nfs/dbraw/zinc/25/00/60/175250060.db2.gz AAUUYHOALYOCGR-UHFFFAOYSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(CCCNC(=O)[C@H](C)[NH3+])c1 ZINC000158184983 175251547 /nfs/dbraw/zinc/25/15/47/175251547.db2.gz YIYAWNDTPZKRJG-JTQLQIEISA-N 1 0 236.315 1.091 50 0 BDAARO COc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000019606816 175254862 /nfs/dbraw/zinc/25/48/62/175254862.db2.gz OSQMSYRBDVBSES-UHFFFAOYSA-N 1 0 222.332 1.689 50 0 BDAARO COc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000069774571 175262966 /nfs/dbraw/zinc/26/29/66/175262966.db2.gz VXEFXOUVPNQXQC-UHFFFAOYSA-N 1 0 219.288 1.134 50 0 BDAARO COc1cccc(N2C[C@H](C[NH3+])CC2=O)c1 ZINC000019669559 175275777 /nfs/dbraw/zinc/27/57/77/175275777.db2.gz FVXAEMBHHJCAHJ-VIFPVBQESA-N 1 0 220.272 1.007 50 0 BDAARO COc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092542 175277657 /nfs/dbraw/zinc/27/76/57/175277657.db2.gz UUCJWBLAOLUTBJ-NXEZZACHSA-N 1 0 234.299 1.761 50 0 BDAARO COc1cccc(OC)c1OC1CC[NH2+]CC1 ZINC000019430390 175282046 /nfs/dbraw/zinc/28/20/46/175282046.db2.gz JNPFLVYOLSSBES-UHFFFAOYSA-N 1 0 237.299 1.835 50 0 BDAARO COc1cccc([C@H]([NH3+])CN2CCCC2)c1 ZINC000019821396 175293928 /nfs/dbraw/zinc/29/39/28/175293928.db2.gz RBKOKRWDNKXXHB-CYBMUJFWSA-N 1 0 220.316 1.791 50 0 BDAARO COc1ccccc1-n1cc([C@H](C)[NH3+])cn1 ZINC000019088002 175312565 /nfs/dbraw/zinc/31/25/65/175312565.db2.gz CRWJMJCQAZOMHK-VIFPVBQESA-N 1 0 217.272 1.901 50 0 BDAARO COc1ccccc1C(=O)NCC[NH+]1CCCC1 ZINC000004454482 175318189 /nfs/dbraw/zinc/31/81/89/175318189.db2.gz UNLPKXPUBAJCDD-UHFFFAOYSA-N 1 0 248.326 1.521 50 0 BDAARO COc1ccccc1CC(=O)N1CCC[NH2+]CC1 ZINC000036883059 175320463 /nfs/dbraw/zinc/32/04/63/175320463.db2.gz ZEDLXWDYKVOQHD-UHFFFAOYSA-N 1 0 248.326 1.060 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000004989062 175327993 /nfs/dbraw/zinc/32/79/93/175327993.db2.gz ARLPOCCYXCGZDT-GFCCVEGCSA-N 1 0 248.326 1.393 50 0 BDAARO COc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000012359889 175343019 /nfs/dbraw/zinc/34/30/19/175343019.db2.gz QWVSMVKBNRCNFJ-JTQLQIEISA-N 1 0 207.273 1.826 50 0 BDAARO C[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000083592111 175801980 /nfs/dbraw/zinc/80/19/80/175801980.db2.gz JSURSCDQTBSUPP-SSDOTTSWSA-N 1 0 200.282 1.201 50 0 BDAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000195560393 176076643 /nfs/dbraw/zinc/07/66/43/176076643.db2.gz SVLQQXIJPAJIMQ-JHJVBQTASA-N 1 0 227.348 1.506 50 0 BDAARO C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)S(C)(=O)=O 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234.225 1.122 50 0 BDAARO COC[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1 ZINC000244874883 522461212 /nfs/dbraw/zinc/46/12/12/522461212.db2.gz XIXXGQNFUYCBCY-NSHDSACASA-N 1 0 243.738 1.647 50 0 BDAARO Cc1ccc(C[NH2+]CC(=O)NC(C)C)s1 ZINC000035136093 524572666 /nfs/dbraw/zinc/57/26/66/524572666.db2.gz NASOJUSEUOCIJT-UHFFFAOYSA-N 1 0 226.345 1.671 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[C@H]([NH3+])C[C@@H]21 ZINC000238789983 534854069 /nfs/dbraw/zinc/85/40/69/534854069.db2.gz SIDLVNZIPCOTFU-UTLUCORTSA-N 1 0 226.320 1.733 50 0 BDAARO C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1)c1cccnc1 ZINC000153395289 526003984 /nfs/dbraw/zinc/00/39/84/526003984.db2.gz KNJLQMMFNWMUBW-TUAOUCFPSA-N 1 0 247.342 1.394 50 0 BDAARO Cc1cncc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000088451722 526179199 /nfs/dbraw/zinc/17/91/99/526179199.db2.gz WPVFLEOCHIBPPL-WCQYABFASA-N 1 0 247.342 1.589 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)CCCc2ccccn2)C1 ZINC000157768493 527397959 /nfs/dbraw/zinc/39/79/59/527397959.db2.gz 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201.310 1.116 50 0 BDAARO [NH3+][C@H](c1ccns1)[C@@]1(O)CCSC1 ZINC000958528520 635552080 /nfs/dbraw/zinc/55/20/80/635552080.db2.gz PTAIQMOHHBTHIG-HTQZYQBOSA-N 1 0 216.331 1.011 50 0 BDAARO Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000335636067 631261010 /nfs/dbraw/zinc/26/10/10/631261010.db2.gz UQOOQCDCYKLJST-GHMZBOCLSA-N 1 0 211.284 1.790 50 0 BDAARO C[C@@H]1C[N@H+]([C@@H]2CCSC2)C[C@H](C)O1 ZINC000023282340 632780529 /nfs/dbraw/zinc/78/05/29/632780529.db2.gz ADWMLWAWRGMTQI-KXUCPTDWSA-N 1 0 201.335 1.601 50 0 BDAARO O=CN1CC[NH+](C2CCCCCC2)CC1 ZINC000003683544 633075319 /nfs/dbraw/zinc/07/53/19/633075319.db2.gz BZQDPWMQXYSQEX-UHFFFAOYSA-N 1 0 210.321 1.483 50 0 BDAARO COC(=O)N1CC[NH+](C[C@@H]2C[C@@H]2C2CC2)CC1 ZINC000888096032 635369527 /nfs/dbraw/zinc/36/95/27/635369527.db2.gz HQWDURVFTIHMEY-NWDGAFQWSA-N 1 0 238.331 1.417 50 0 BDAARO CCOCC[NH2+][C@@H]1CC[C@H](c2nccn2C)C1 ZINC000888098333 635376578 /nfs/dbraw/zinc/37/65/78/635376578.db2.gz IBQSLTXNFQXISQ-NWDGAFQWSA-N 1 0 237.347 1.682 50 0 BDAARO Cc1n[nH]c(C)c1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000299793564 636652767 /nfs/dbraw/zinc/65/27/67/636652767.db2.gz HVHFXOZAGQWPHW-ZDUSSCGKSA-N 1 0 248.374 1.349 50 0 BDAARO Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H]1CO ZINC000000216807 642757661 /nfs/dbraw/zinc/75/76/61/642757661.db2.gz LERVZUSDXAZSNS-SNVBAGLBSA-N 1 0 209.293 1.065 50 0 BDAARO C[C@@H]1CN(C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000000220420 642760890 /nfs/dbraw/zinc/76/08/90/642760890.db2.gz DBPYSMQZAZRHAF-PHIMTYICSA-N 1 0 212.337 1.190 50 0 BDAARO Cc1ccnc(OC[C@@H]2CCC[N@H+]2C)c1 ZINC000113813173 642920325 /nfs/dbraw/zinc/92/03/25/642920325.db2.gz ICJGCDWEYSGPPQ-NSHDSACASA-N 1 0 206.289 1.863 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC000022045057 643411545 /nfs/dbraw/zinc/41/15/45/643411545.db2.gz MFPYDYOPEBORMU-CHWSQXEVSA-N 1 0 226.364 1.175 50 0 BDAARO C[C@@H](O)C[NH+](Cc1ccccc1F)C[C@@H](C)O ZINC000000757495 643647659 /nfs/dbraw/zinc/64/76/59/643647659.db2.gz SHOXEYQQBNOZKC-GHMZBOCLSA-N 1 0 241.306 1.389 50 0 BDAARO CCC[N@@H+]1CCC[C@H](Nc2ccncc2F)C1 ZINC000952974568 644445405 /nfs/dbraw/zinc/44/54/05/644445405.db2.gz BDHZCUVVNFXMNZ-NSHDSACASA-N 1 0 237.322 1.929 50 0 BDAARO CC1(C)CN(c2cnccn2)CCC[NH2+]1 ZINC000952995184 644451312 /nfs/dbraw/zinc/45/13/12/644451312.db2.gz CVVVFYHRPHEKNH-UHFFFAOYSA-N 1 0 206.293 1.055 50 0 BDAARO CC(C)[N@H+](C)CCNC(=O)/C=C/c1ccccn1 ZINC000089869464 644569877 /nfs/dbraw/zinc/56/98/77/644569877.db2.gz XKIMKCWJZZXZCP-BQYQJAHWSA-N 1 0 247.342 1.551 50 0 BDAARO CC(C)[C@H]([NH3+])C1(O)CC(CF)(CF)C1 ZINC000958527531 644804086 /nfs/dbraw/zinc/80/40/86/644804086.db2.gz BSCAPKZOQLDKMF-QMMMGPOBSA-N 1 0 207.264 1.420 50 0 BDAARO C[C@@H]1SCC[C@]1(O)[C@H]([NH3+])C1CCC1 ZINC000958528695 644804908 /nfs/dbraw/zinc/80/49/08/644804908.db2.gz ZLFNUPPZTMPLLF-FXBDTBDDSA-N 1 0 201.335 1.370 50 0 BDAARO [NH3+][C@H](C1CC1)C1(O)CC(CF)(CF)C1 ZINC000958528452 644807195 /nfs/dbraw/zinc/80/71/95/644807195.db2.gz SPUODLXUNADYKH-MRVPVSSYSA-N 1 0 205.248 1.174 50 0 BDAARO CC(C)Oc1cncc(-c2cnn(C)c2C[NH3+])c1 ZINC000709347351 712220198 /nfs/dbraw/zinc/22/01/98/712220198.db2.gz ZEDHTAUNBDDLPV-UHFFFAOYSA-N 1 0 246.314 1.728 50 0 BDAARO COC(=O)C[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009851 712799086 /nfs/dbraw/zinc/79/90/86/712799086.db2.gz AZWNGBHAODRACF-ZYHUDNBSSA-N 1 0 249.310 1.531 50 0 BDAARO C/C(=C\C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1F ZINC000585086631 972123380 /nfs/dbraw/zinc/12/33/80/972123380.db2.gz FHMNXXQNHIWCAC-UQSGXBNBSA-N 1 0 248.301 1.789 50 0 BDAARO CC(C)C1=CSC(=c2ccc3c(c2)CC[NH+]=3)N1 ZINC000675058245 960452568 /nfs/dbraw/zinc/45/25/68/960452568.db2.gz ZAZQOXIKVJTMLF-UHFFFAOYSA-N 1 0 244.363 1.762 50 0 BDAARO c1cn(CC2(C[NH2+][C@H]3CCCOC3)CC2)cn1 ZINC000820408716 968472359 /nfs/dbraw/zinc/47/23/59/968472359.db2.gz FLRLGHMLJMGNMK-LBPRGKRZSA-N 1 0 235.331 1.432 50 0 BDAARO CC(C)(C)[C@@H](C[NH+]1CCCC1)NS(C)(=O)=O ZINC000820701078 968481601 /nfs/dbraw/zinc/48/16/01/968481601.db2.gz HXNJTFDKGZSXAW-SNVBAGLBSA-N 1 0 248.392 1.046 50 0 BDAARO C[C@@]1(C[NH2+]C2CSCCSC2)CCCO1 ZINC000822306699 968514115 /nfs/dbraw/zinc/51/41/15/968514115.db2.gz FWCXWZVBMRXRIF-NSHDSACASA-N 1 0 247.429 1.994 50 0 BDAARO CC[NH+](CC)CC1(Nc2nccc(NC)n2)CC1 ZINC000823076044 968538588 /nfs/dbraw/zinc/53/85/88/968538588.db2.gz NSARBAMZJLDWSU-UHFFFAOYSA-N 1 0 249.362 1.805 50 0 BDAARO CC[N@@H+]1CCC[C@H](Nc2noc(C3CC3)n2)C1 ZINC000823109892 968540073 /nfs/dbraw/zinc/54/00/73/968540073.db2.gz UGYNYONAOCKCMG-JTQLQIEISA-N 1 0 236.319 1.843 50 0 BDAARO CCC(=O)N1CCC(CCOC)([NH+](C)C)CC1 ZINC000581805012 969128295 /nfs/dbraw/zinc/12/82/95/969128295.db2.gz QAVUIPJSQWNHOK-UHFFFAOYSA-N 1 0 242.363 1.356 50 0 BDAARO Cc1ccnc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])n1 ZINC000585651406 973915983 /nfs/dbraw/zinc/91/59/83/973915983.db2.gz LRMGFZCRYIHJCJ-STQMWFEESA-N 1 0 241.294 1.789 50 0 BDAARO C[N@@H+]1CCC[C@@H]1COc1ncc(F)cn1 ZINC000585651420 973916630 /nfs/dbraw/zinc/91/66/30/973916630.db2.gz LZADSPJXLUVALI-SECBINFHSA-N 1 0 211.240 1.089 50 0 BDAARO Cc1ccnc(OC[C@@H]2CCCC[N@H+]2C)n1 ZINC000585651433 973916780 /nfs/dbraw/zinc/91/67/80/973916780.db2.gz MIQHWDFNRNQJRU-NSHDSACASA-N 1 0 221.304 1.648 50 0 BDAARO c1cn2nc(O[C@@H]3C[NH+]4CCC3CC4)ccc2n1 ZINC000585652111 973919033 /nfs/dbraw/zinc/91/90/33/973919033.db2.gz WESIKWRNHSRKNG-LLVKDONJSA-N 1 0 244.298 1.202 50 0 BDAARO Cc1nnc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000585652513 973919188 /nfs/dbraw/zinc/91/91/88/973919188.db2.gz OVKFGPRCJAKQCB-ULKQDVFKSA-N 1 0 239.344 1.851 50 0 BDAARO Cc1cccc(O[C@H]2C[NH+]3CCC2CC3)n1 ZINC000585654476 973929544 /nfs/dbraw/zinc/92/95/44/973929544.db2.gz IHCBKILXVRNKCM-LBPRGKRZSA-N 1 0 218.300 1.863 50 0 BDAARO CNc1ccccc1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000952876670 974057147 /nfs/dbraw/zinc/05/71/47/974057147.db2.gz DJDORKCBMCTUDH-LBPRGKRZSA-N 1 0 247.342 1.343 50 0 BDAARO CCNC(=O)[C@@H]1CCN(c2cc(C)[nH+]c(C)c2)C1 ZINC001506402152 988770713 /nfs/dbraw/zinc/77/07/13/988770713.db2.gz MOKZRDYQANRAOC-GFCCVEGCSA-N 1 0 247.342 1.661 50 0 BDAARO CN(C)c1ccnc(N[C@H]2CCC[N@H+](C)C2)n1 ZINC001506412388 988780133 /nfs/dbraw/zinc/78/01/33/988780133.db2.gz YADHRLAHZYIGSQ-JTQLQIEISA-N 1 0 235.335 1.049 50 0 BDAARO CCCCn1ncc(C)c1NC(=O)[C@H]1C=CC[NH2+]1 ZINC001529179156 990336147 /nfs/dbraw/zinc/33/61/47/990336147.db2.gz VVWRJIYAKBEGOQ-LLVKDONJSA-N 1 0 248.330 1.458 50 0 BDAARO Cc1cc(C)n(-c2ccc(C(N)=[NH2+])cn2)n1 ZINC000019441821 177919519 /nfs/dbraw/zinc/91/95/19/177919519.db2.gz FBELHNGFKZMHPL-UHFFFAOYSA-N 1 0 215.260 1.168 50 0 BDAARO C[C@H](CC(=O)N1CCC[C@@H]1C[NH3+])c1ccncc1 ZINC000299738683 136209600 /nfs/dbraw/zinc/20/96/00/136209600.db2.gz FFQIDPSXCZDTTK-DGCLKSJQSA-N 1 0 247.342 1.525 50 0 BDAARO CCC(CC)(C[NH3+])C(=O)N1CCOC(C)(C)C1 ZINC000044762923 168321729 /nfs/dbraw/zinc/32/17/29/168321729.db2.gz WFIQHZHXONNEFZ-UHFFFAOYSA-N 1 0 242.363 1.389 50 0 BDAARO Fc1ccc2c(CN3CC[NH2+]CC3)c[nH]c2c1 ZINC000071487542 398153762 /nfs/dbraw/zinc/15/37/62/398153762.db2.gz MNBJAVXSBNUUSK-UHFFFAOYSA-N 1 0 233.290 1.712 50 0 BDAARO Cc1cc(CO)c(C)n1-c1cc[nH+]cc1 ZINC000000469692 178046308 /nfs/dbraw/zinc/04/63/08/178046308.db2.gz XXODFKDTAKRVOE-UHFFFAOYSA-N 1 0 202.257 1.981 50 0 BDAARO Cc1cc(N(C)C)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686532 178097603 /nfs/dbraw/zinc/09/76/03/178097603.db2.gz QTXIWIVQISSVNQ-SNVBAGLBSA-N 1 0 220.320 1.318 50 0 BDAARO Cc1cc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)no1 ZINC000011954428 178144603 /nfs/dbraw/zinc/14/46/03/178144603.db2.gz GPFUPWSZCWOUET-NSHDSACASA-N 1 0 245.282 1.492 50 0 BDAARO Nc1cc[nH+]c(-c2cccc(CO)c2)c1 ZINC000074938262 398210203 /nfs/dbraw/zinc/21/02/03/398210203.db2.gz DCAUBXKTIODYNT-UHFFFAOYSA-N 1 0 200.241 1.823 50 0 BDAARO Cc1cc(NCCNc2cccnc2)nc(N)[nH+]1 ZINC000091644105 178162248 /nfs/dbraw/zinc/16/22/48/178162248.db2.gz FCEKZJLEFMSZKH-UHFFFAOYSA-N 1 0 244.302 1.286 50 0 BDAARO Cc1cc(OC[C@@H](O)C[NH3+])ccc1Cl ZINC000002533869 178212306 /nfs/dbraw/zinc/21/23/06/178212306.db2.gz GRDZVACAKYVZEP-QMMMGPOBSA-N 1 0 215.680 1.347 50 0 BDAARO COCC1(CCNC2=[NH+]CCCCN2)CC1 ZINC000521396948 259303953 /nfs/dbraw/zinc/30/39/53/259303953.db2.gz OLFJDNIZRAOFPI-UHFFFAOYSA-N 1 0 225.336 1.132 50 0 BDAARO Cc1cc2ccccc2c[n+]1CCCO ZINC000045069027 178296940 /nfs/dbraw/zinc/29/69/40/178296940.db2.gz MNMAMONOCXRCFE-UHFFFAOYSA-N 1 0 202.277 1.818 50 0 BDAARO Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)n1C ZINC000036282943 178376231 /nfs/dbraw/zinc/37/62/31/178376231.db2.gz OAGCXGMFFIGPFT-UHFFFAOYSA-N 1 0 235.331 1.158 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cc1F ZINC000041028278 178387205 /nfs/dbraw/zinc/38/72/05/178387205.db2.gz QSQFMXMPZNRLNR-LLVKDONJSA-N 1 0 236.290 1.697 50 0 BDAARO O=C(CCC1CCCC1)N1CC[NH2+]CC1 ZINC000000245523 342681216 /nfs/dbraw/zinc/68/12/16/342681216.db2.gz PUCYMVZANVWWKV-UHFFFAOYSA-N 1 0 210.321 1.389 50 0 BDAARO COC[C@H](C)[NH2+]Cc1cccc(OC)c1 ZINC000000275555 342681893 /nfs/dbraw/zinc/68/18/93/342681893.db2.gz RPSBMRKZOPGLSG-JTQLQIEISA-N 1 0 209.289 1.820 50 0 BDAARO CCOc1ccccc1C[NH2+]C(C)(C)CO ZINC000000572537 342690394 /nfs/dbraw/zinc/69/03/94/342690394.db2.gz PBKIOPGQOJUVBL-UHFFFAOYSA-N 1 0 223.316 1.946 50 0 BDAARO Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)o1 ZINC000004681911 342750254 /nfs/dbraw/zinc/75/02/54/342750254.db2.gz TWFXYKQLVYZDSC-UHFFFAOYSA-N 1 0 222.288 1.285 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000004202886 342743861 /nfs/dbraw/zinc/74/38/61/342743861.db2.gz GYLAYRXNMUUXJS-SNVBAGLBSA-N 1 0 228.336 1.982 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1cccc(OC)c1 ZINC000004298878 342746203 /nfs/dbraw/zinc/74/62/03/342746203.db2.gz DOYKYXMRPXMHLZ-JTQLQIEISA-N 1 0 209.245 1.258 50 0 BDAARO CC[C@](C)([NH2+]C[C@H](C)CC(C)C)C(N)=O ZINC000253393564 398279289 /nfs/dbraw/zinc/27/92/89/398279289.db2.gz KIXNSBCWNURZJD-PWSUYJOCSA-N 1 0 214.353 1.912 50 0 BDAARO [NH3+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000004343460 342746871 /nfs/dbraw/zinc/74/68/71/342746871.db2.gz HFHIPHFTQUFQFH-SNVBAGLBSA-N 1 0 214.272 1.603 50 0 BDAARO CCOc1ccccc1OCCC[NH2+]CCO ZINC000002931530 342728334 /nfs/dbraw/zinc/72/83/34/342728334.db2.gz DEOPDGDEFRIRBB-UHFFFAOYSA-N 1 0 239.315 1.436 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000003285421 342732189 /nfs/dbraw/zinc/73/21/89/342732189.db2.gz OWKAREWNOLQNOG-SECBINFHSA-N 1 0 213.664 1.903 50 0 BDAARO Cc1nnc(N(C)C[C@H]2CCCC[N@@H+]2C)s1 ZINC000584904066 342737163 /nfs/dbraw/zinc/73/71/63/342737163.db2.gz PCZGCGABISNFHX-SNVBAGLBSA-N 1 0 240.376 1.767 50 0 BDAARO Fc1cnccc1NCC1(C[NH+]2CCCC2)CC1 ZINC000584904201 342737434 /nfs/dbraw/zinc/73/74/34/342737434.db2.gz KZQSIZRLNCLTTQ-UHFFFAOYSA-N 1 0 249.333 1.931 50 0 BDAARO [NH3+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000003739191 342737443 /nfs/dbraw/zinc/73/74/43/342737443.db2.gz UZOVCJLWNHBMIQ-LBPRGKRZSA-N 1 0 205.257 1.868 50 0 BDAARO OC[C@H](Cc1c[nH]cn1)[NH2+]Cc1ccccc1 ZINC000005124225 342758704 /nfs/dbraw/zinc/75/87/04/342758704.db2.gz ARSAGVGSZLEXHZ-ZDUSSCGKSA-N 1 0 231.299 1.103 50 0 BDAARO COC(=O)C[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000005510979 342765260 /nfs/dbraw/zinc/76/52/60/342765260.db2.gz WWCYOWKGBSCUIA-SECBINFHSA-N 1 0 227.691 1.945 50 0 BDAARO [NH3+][C@@H](CC(=O)N1CCC[C@@H]1CO)c1ccccc1 ZINC000042434909 342775477 /nfs/dbraw/zinc/77/54/77/342775477.db2.gz PSAMTEUAVZRDSB-OLZOCXBDSA-N 1 0 248.326 1.060 50 0 BDAARO COC(=O)C1(C[NH2+][C@H]2CCOC2)CCCCC1 ZINC000097373163 342790592 /nfs/dbraw/zinc/79/05/92/342790592.db2.gz CNPFYCPWEZANNQ-NSHDSACASA-N 1 0 241.331 1.488 50 0 BDAARO Cc1cc(C)cc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000011754421 342842892 /nfs/dbraw/zinc/84/28/92/342842892.db2.gz PQTLJUDQIGCUJE-LBPRGKRZSA-N 1 0 218.300 1.994 50 0 BDAARO Cn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000011568670 342841556 /nfs/dbraw/zinc/84/15/56/342841556.db2.gz LYBSBRJIPSAKMQ-UHFFFAOYSA-N 1 0 209.680 1.728 50 0 BDAARO [NH3+][C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000011920015 342844568 /nfs/dbraw/zinc/84/45/68/342844568.db2.gz ZVAQQYUVQZKQDJ-QMMMGPOBSA-N 1 0 210.664 1.404 50 0 BDAARO Fc1ccc(-c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000012114189 342846590 /nfs/dbraw/zinc/84/65/90/342846590.db2.gz VCEDOGBTSALKRD-UHFFFAOYSA-N 1 0 217.247 1.862 50 0 BDAARO [NH3+][C@H](CO)c1ccc(Br)cc1 ZINC000012404600 342851437 /nfs/dbraw/zinc/85/14/37/342851437.db2.gz KTNHFPRYCCCOQV-MRVPVSSYSA-N 1 0 216.078 1.441 50 0 BDAARO C[N@H+](CC(=O)NC1CC1)C1CCCCC1 ZINC000013323262 342865810 /nfs/dbraw/zinc/86/58/10/342865810.db2.gz CUDDFQBMMUCSGY-UHFFFAOYSA-N 1 0 210.321 1.530 50 0 BDAARO C[NH2+]Cc1cnn(-c2cccc(C)c2)c1 ZINC000013331616 342866190 /nfs/dbraw/zinc/86/61/90/342866190.db2.gz LTSCKKGDKCAUBS-UHFFFAOYSA-N 1 0 201.273 1.900 50 0 BDAARO COc1ccc([C@@H](C)[NH2+]CCC(N)=O)cc1F ZINC000032751151 342872084 /nfs/dbraw/zinc/87/20/84/342872084.db2.gz UCBRPPZMEVHVPL-MRVPVSSYSA-N 1 0 240.278 1.360 50 0 BDAARO C[N@H+](CC1CCCCC1)[C@H]1CCOC1=O ZINC000032753098 342872554 /nfs/dbraw/zinc/87/25/54/342872554.db2.gz XBCDSTFJOPLQQS-NSHDSACASA-N 1 0 211.305 1.814 50 0 BDAARO COCc1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000015775046 342900875 /nfs/dbraw/zinc/90/08/75/342900875.db2.gz SECYLOOCCDWPPT-UHFFFAOYSA-N 1 0 246.314 1.502 50 0 BDAARO O=C(OCc1ccccc1)N1C[C@@H]2C[NH2+][C@@H]2C1 ZINC000016697395 342914541 /nfs/dbraw/zinc/91/45/41/342914541.db2.gz BCONCMOUSFKNCK-NWDGAFQWSA-N 1 0 232.283 1.227 50 0 BDAARO O=C1NCCCC[C@@H]1[NH+]1CCCCCC1 ZINC000010034730 346876452 /nfs/dbraw/zinc/87/64/52/346876452.db2.gz CMKSEWMFSWOPLB-NSHDSACASA-N 1 0 210.321 1.531 50 0 BDAARO COc1ccc([C@H](C[NH3+])N2CCOCC2)cc1 ZINC000019362033 342946891 /nfs/dbraw/zinc/94/68/91/342946891.db2.gz ZDQVUBJFLWWYQA-ZDUSSCGKSA-N 1 0 236.315 1.027 50 0 biogenic BDAARO [NH3+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000019254768 342944720 /nfs/dbraw/zinc/94/47/20/342944720.db2.gz VUIBEGUIHTWDKC-LLVKDONJSA-N 1 0 204.273 1.309 50 0 BDAARO Fc1ccc(CN2CC[NH2+]CC2)c(Cl)c1 ZINC000019272883 342945015 /nfs/dbraw/zinc/94/50/15/342945015.db2.gz WWHXLQXVHUCVRZ-UHFFFAOYSA-N 1 0 228.698 1.884 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCc2ccccc21 ZINC000019411292 342947783 /nfs/dbraw/zinc/94/77/83/342947783.db2.gz DHGXXNNPGNHFHF-LLVKDONJSA-N 1 0 216.284 1.328 50 0 BDAARO Cc1cnc(NC(=O)C2CC[NH2+]CC2)s1 ZINC000019412092 342948052 /nfs/dbraw/zinc/94/80/52/342948052.db2.gz NGXFXKBFBWCKGI-UHFFFAOYSA-N 1 0 225.317 1.390 50 0 BDAARO Fc1ccc(CCCN2CC[NH2+]CC2)cc1 ZINC000019801373 342958220 /nfs/dbraw/zinc/95/82/20/342958220.db2.gz NHJVBUCDXYSHFR-UHFFFAOYSA-N 1 0 222.307 1.664 50 0 BDAARO Cn1ccnc1Sc1cc(C(N)=[NH2+])ccn1 ZINC000019848022 342959871 /nfs/dbraw/zinc/95/98/71/342959871.db2.gz GZDOGIYQHOWPOY-UHFFFAOYSA-N 1 0 233.300 1.250 50 0 BDAARO C[C@H]([NH3+])[C@H](O)c1c(F)cccc1Cl ZINC000020216931 342977573 /nfs/dbraw/zinc/97/75/73/342977573.db2.gz YUONVKUIXPCNAA-CDUCUWFYSA-N 1 0 203.644 1.860 50 0 BDAARO Cc1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000019953882 342964347 /nfs/dbraw/zinc/96/43/47/342964347.db2.gz BMTZIHFEIYPIBF-UHFFFAOYSA-N 1 0 234.343 1.417 50 0 BDAARO CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000019963430 342965332 /nfs/dbraw/zinc/96/53/32/342965332.db2.gz ADPDTVZIQBQOJL-AWEZNQCLSA-N 1 0 248.326 1.914 50 0 BDAARO CC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000020608842 342992138 /nfs/dbraw/zinc/99/21/38/342992138.db2.gz MLPIJNWZDVDTJS-UHFFFAOYSA-N 1 0 247.342 1.263 50 0 BDAARO CC[C@@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000020267946 342979664 /nfs/dbraw/zinc/97/96/64/342979664.db2.gz KMWYMYWBSRCZJE-SECBINFHSA-N 1 0 231.299 1.811 50 0 BDAARO CSCC[C@@H](N)c1nc(C(C)C)no1 ZINC000021514452 343014468 /nfs/dbraw/zinc/01/44/68/343014468.db2.gz OFBJOCNGGLZWDV-SSDOTTSWSA-N 1 0 215.322 1.946 50 0 BDAARO CC(C)(C)OC(=O)CC[NH2+]CCN1CCCC1 ZINC000022588566 343051893 /nfs/dbraw/zinc/05/18/93/343051893.db2.gz YBYUVCQRDSCNQL-UHFFFAOYSA-N 1 0 242.363 1.404 50 0 BDAARO Cn1c2ccc(F)cc2nc1CCC[NH3+] ZINC000037439298 343074904 /nfs/dbraw/zinc/07/49/04/343074904.db2.gz NEIQHVRGCJSGLH-UHFFFAOYSA-N 1 0 207.252 1.604 50 0 BDAARO CCc1nc(CN2CC[NH+](CC)CC2)cs1 ZINC000042625695 362012814 /nfs/dbraw/zinc/01/28/14/362012814.db2.gz SBGFVMBZJOJKMD-UHFFFAOYSA-N 1 0 239.388 1.843 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000026896579 343110549 /nfs/dbraw/zinc/11/05/49/343110549.db2.gz VMUXGMBHACBHJJ-BBBLOLIVSA-N 1 0 226.320 1.591 50 0 BDAARO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000043506183 343102885 /nfs/dbraw/zinc/10/28/85/343102885.db2.gz OCZOFCPATYYMBA-DGCLKSJQSA-N 1 0 238.375 1.974 50 0 BDAARO CC(C)OC[C@@H](O)C[N@H+](C)Cc1ccsc1 ZINC000070186917 343137833 /nfs/dbraw/zinc/13/78/33/343137833.db2.gz HCEOYVSUGCSYDI-LBPRGKRZSA-N 1 0 243.372 1.966 50 0 BDAARO CC[NH+](CC)CCn1cnc2ccncc2c1=O ZINC000032590526 343238068 /nfs/dbraw/zinc/23/80/68/343238068.db2.gz JHFMBHBSOWSOLK-UHFFFAOYSA-N 1 0 246.314 1.133 50 0 BDAARO CN(C)Cc1nc(C2([NH3+])CCCCCC2)no1 ZINC000032628314 343238929 /nfs/dbraw/zinc/23/89/29/343238929.db2.gz XVUSBWZKBJRIGL-UHFFFAOYSA-N 1 0 238.335 1.639 50 0 BDAARO C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034076647 343264219 /nfs/dbraw/zinc/26/42/19/343264219.db2.gz SOTUMZCQANFRAM-CYBMUJFWSA-N 1 0 204.317 1.823 50 0 BDAARO N[C@@H](CCCC[NH3+])C(=O)OCc1ccccc1 ZINC000034144296 343265529 /nfs/dbraw/zinc/26/55/29/343265529.db2.gz XXAYGJGDVLSEML-LBPRGKRZSA-N 1 0 236.315 1.186 50 0 BDAARO CCC1=N[C@@H](NC(N)=[NH2+])Nc2cc(C)ccc21 ZINC000023114633 343272328 /nfs/dbraw/zinc/27/23/28/343272328.db2.gz ZHIAZMPRMACNGC-GFCCVEGCSA-N 1 0 231.303 1.386 50 0 BDAARO C[NH+](C)/C=C/C=C1\COC(C)(C)CC1=O ZINC000022339686 343272445 /nfs/dbraw/zinc/27/24/45/343272445.db2.gz VZJPWTTXMGQVSB-YLNKAEQOSA-N 1 0 209.289 1.756 50 0 BDAARO COc1ccc(Cc2[nH][nH]c(=O)c2CC[NH3+])cc1 ZINC000034792295 343278512 /nfs/dbraw/zinc/27/85/12/343278512.db2.gz XYQDCQGCIZEAJF-UHFFFAOYSA-N 1 0 247.298 1.216 50 0 BDAARO COC(=O)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000036906848 343327625 /nfs/dbraw/zinc/32/76/25/343327625.db2.gz YKYWSBSBRGBNAJ-YFKPBYRVSA-N 1 0 219.693 1.964 50 0 BDAARO CC(C)(C)OC(=O)N=c1[nH]cc(CC[NH3+])s1 ZINC000035270209 343291249 /nfs/dbraw/zinc/29/12/49/343291249.db2.gz JWVMWSDKFZKDMQ-UHFFFAOYSA-N 1 0 243.332 1.991 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC000036373233 343317007 /nfs/dbraw/zinc/31/70/07/343317007.db2.gz ZQRYPCAUVKVMLZ-JGVFFNPUSA-N 1 0 218.272 1.293 50 0 BDAARO COC(=O)CC[C@H]([NH3+])Cc1ccccc1 ZINC000038885003 343380080 /nfs/dbraw/zinc/38/00/80/343380080.db2.gz GNTXIYNIBVBPJG-NSHDSACASA-N 1 0 207.273 1.510 50 0 BDAARO COCc1nc2ccccc2n1CC[NH3+] ZINC000038478279 343375302 /nfs/dbraw/zinc/37/53/02/343375302.db2.gz PWFHDFRIDOCDED-UHFFFAOYSA-N 1 0 205.261 1.141 50 0 BDAARO [NH3+][C@H]1CCCN(Cc2ccccc2F)C1 ZINC000038539466 343376971 /nfs/dbraw/zinc/37/69/71/343376971.db2.gz GWZXDUNOKGHEME-NSHDSACASA-N 1 0 208.280 1.749 50 0 BDAARO C[C@H]([NH3+])CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766377 343354250 /nfs/dbraw/zinc/35/42/50/343354250.db2.gz UJFLLHGLGKOYLB-NSHDSACASA-N 1 0 247.342 1.963 50 0 BDAARO O=C(O[C@H]1CCC[NH2+]C1)C(Cl)(Cl)Cl ZINC000042768642 343451041 /nfs/dbraw/zinc/45/10/41/343451041.db2.gz AKESZVSTPPLDGO-YFKPBYRVSA-N 1 0 246.521 1.652 50 0 BDAARO Fc1cccc(COC[C@@H]2CC[NH2+]C2)c1 ZINC000042771896 343451809 /nfs/dbraw/zinc/45/18/09/343451809.db2.gz BKJHBGREGLSIQO-LLVKDONJSA-N 1 0 209.264 1.952 50 0 BDAARO CCN(Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000042783323 343452846 /nfs/dbraw/zinc/45/28/46/343452846.db2.gz VJSDETCBJFSOJU-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO Fc1ccc(CO[C@H]2CC[NH2+]C2)c(F)c1 ZINC000042782979 343453172 /nfs/dbraw/zinc/45/31/72/343453172.db2.gz FPDUPDWIPPINDH-JTQLQIEISA-N 1 0 213.227 1.843 50 0 BDAARO Cn1cnnc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495168 343475189 /nfs/dbraw/zinc/47/51/89/343475189.db2.gz YSJSLNOWYYJLNM-QMMMGPOBSA-N 1 0 212.322 1.049 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044605692 343509651 /nfs/dbraw/zinc/50/96/51/343509651.db2.gz WDDPLSXJAIFLJZ-UHFFFAOYSA-N 1 0 240.347 1.949 50 0 BDAARO Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000049582232 343603971 /nfs/dbraw/zinc/60/39/71/343603971.db2.gz ALGAEHWMNZFLNJ-TXEJJXNPSA-N 1 0 202.301 1.651 50 0 BDAARO CC1(C)C[N@H+](C[C@H]2CCCCO2)CCO1 ZINC000065554669 349858398 /nfs/dbraw/zinc/85/83/98/349858398.db2.gz QUADMDSKTPRXAD-LLVKDONJSA-N 1 0 213.321 1.666 50 0 BDAARO C(c1nc(C2CC2)no1)C1CC[NH2+]CC1 ZINC000045893383 343781306 /nfs/dbraw/zinc/78/13/06/343781306.db2.gz UMIHXIWIKFHJRW-UHFFFAOYSA-N 1 0 207.277 1.489 50 0 BDAARO CCOC(=O)c1sc([C@H]2CC[NH2+]C2)nc1C ZINC000396136565 343810953 /nfs/dbraw/zinc/81/09/53/343810953.db2.gz ITNWCGKAZOTUSV-QMMMGPOBSA-N 1 0 240.328 1.705 50 0 BDAARO CCC[C@@H]1CN(c2cc(CC)ncn2)CC[NH2+]1 ZINC000585139258 344151031 /nfs/dbraw/zinc/15/10/31/344151031.db2.gz IBGOYRZOYDDVKL-GFCCVEGCSA-N 1 0 234.347 1.617 50 0 BDAARO CCC[C@H]1CN(c2cc(CC)ncn2)CC[NH2+]1 ZINC000585139259 344151315 /nfs/dbraw/zinc/15/13/15/344151315.db2.gz IBGOYRZOYDDVKL-LBPRGKRZSA-N 1 0 234.347 1.617 50 0 BDAARO [NH3+][C@H](CO)c1cccc(Cl)c1Cl ZINC000038124642 344251514 /nfs/dbraw/zinc/25/15/14/344251514.db2.gz YFBIEVYQASBCDN-SSDOTTSWSA-N 1 0 206.072 1.986 50 0 BDAARO CCN(CCC[NH+]1CCCC1)C(=O)N(C)C ZINC000195577659 344276205 /nfs/dbraw/zinc/27/62/05/344276205.db2.gz WPIBJIVEKKSZLJ-UHFFFAOYSA-N 1 0 227.352 1.476 50 0 BDAARO c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000084613362 344446388 /nfs/dbraw/zinc/44/63/88/344446388.db2.gz NDQGTQAZYBMLRR-NWDGAFQWSA-N 1 0 235.331 1.626 50 0 BDAARO Cn1c(Cl)c[n+](C)c1[C@@H](O)c1ccccc1 ZINC000000231570 344652294 /nfs/dbraw/zinc/65/22/94/344652294.db2.gz HCBFIFGBEOKNNB-NSHDSACASA-N 1 0 237.710 1.585 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CCCCO1)[C@H](C)n1cccn1 ZINC000248207473 345080338 /nfs/dbraw/zinc/08/03/38/345080338.db2.gz BSMBSVRSKVHRJM-RWMBFGLXSA-N 1 0 237.347 1.991 50 0 BDAARO [NH3+]CCCCCS(=O)(=O)c1ccc(F)cc1 ZINC000082789792 345759520 /nfs/dbraw/zinc/75/95/20/345759520.db2.gz RJVRROSAVBMTPL-UHFFFAOYSA-N 1 0 245.319 1.728 50 0 BDAARO Cn1c2c(nc1-c1cccs1)C[NH2+]CC2 ZINC000005219124 345916455 /nfs/dbraw/zinc/91/64/55/345916455.db2.gz CSYJMRDZKQHOMK-UHFFFAOYSA-N 1 0 219.313 1.794 50 0 BDAARO CC1(C)C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C(C)(C)O1 ZINC000183586723 345938997 /nfs/dbraw/zinc/93/89/97/345938997.db2.gz GNPQVBONRZOYSL-TUAOUCFPSA-N 1 0 239.359 1.859 50 0 BDAARO O=C1CC/[N+](=C\c2ccc(Cl)c(Cl)c2)N1 ZINC000005248668 345951945 /nfs/dbraw/zinc/95/19/45/345951945.db2.gz LMPZWYJEHZUASK-MKMNVTDBSA-O 1 0 244.101 1.860 50 0 BDAARO Cc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1C ZINC000096404849 179008963 /nfs/dbraw/zinc/00/89/63/179008963.db2.gz OGLHHUQZYNSRGM-GFCCVEGCSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1cccc(C(=O)N2CCO[C@H](C[NH3+])C2)c1C ZINC000041161801 179009658 /nfs/dbraw/zinc/00/96/58/179009658.db2.gz MCEPJQVTXBSGCX-GFCCVEGCSA-N 1 0 248.326 1.103 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)N1CCCc2ccccc21 ZINC000011958562 535048504 /nfs/dbraw/zinc/04/85/04/535048504.db2.gz GNDXQBHLXRYMBR-ZDUSSCGKSA-N 1 0 232.327 1.949 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]C[C@@H]1F ZINC000148820884 346460533 /nfs/dbraw/zinc/46/05/33/346460533.db2.gz UMQUBAWDZABAPY-SFYZADRCSA-N 1 0 218.272 1.069 50 0 BDAARO Cc1cccc(C[NH2+]CCn2cccn2)c1 ZINC000042351730 179091362 /nfs/dbraw/zinc/09/13/62/179091362.db2.gz OXBWUTSJPPCEEG-UHFFFAOYSA-N 1 0 215.300 1.981 50 0 BDAARO Cc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1 ZINC000002033145 179170554 /nfs/dbraw/zinc/17/05/54/179170554.db2.gz NXQMNKUGGYNLBY-LBPRGKRZSA-N 1 0 223.316 1.733 50 0 in-man BDAARO CCCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000016604162 347195849 /nfs/dbraw/zinc/19/58/49/347195849.db2.gz RBNZVRGGMRKBBO-UHFFFAOYSA-N 1 0 212.337 1.776 50 0 BDAARO Cc1cccc([C@H]2CCCN2C(=O)[C@@H](C)[NH3+])n1 ZINC000157547546 179203151 /nfs/dbraw/zinc/20/31/51/179203151.db2.gz FKUGJVBUFUXKJF-ZYHUDNBSSA-N 1 0 233.315 1.401 50 0 BDAARO Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000000238396 179271818 /nfs/dbraw/zinc/27/18/18/179271818.db2.gz LZDLJZWGXJDWTE-UHFFFAOYSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C[NH3+])C1 ZINC000237579279 179329645 /nfs/dbraw/zinc/32/96/45/179329645.db2.gz XMLNCFBSOSZCNR-VXGBXAGGSA-N 1 0 232.327 1.658 50 0 BDAARO C=CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000037006943 348009868 /nfs/dbraw/zinc/00/98/68/348009868.db2.gz NTDIANLVOKPZGR-ZDUSSCGKSA-N 1 0 230.311 1.563 50 0 BDAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)C)n1 ZINC000072343755 180057604 /nfs/dbraw/zinc/05/76/04/180057604.db2.gz SYTDTTOSSFJHIC-JTQLQIEISA-N 1 0 220.320 1.318 50 0 BDAARO CC(C)[N@H+](CC(=O)N1CCCC1)CC(C)(C)O ZINC000089869521 191021551 /nfs/dbraw/zinc/02/15/51/191021551.db2.gz OVQZLZDUXVSDJT-UHFFFAOYSA-N 1 0 242.363 1.090 50 0 BDAARO Cc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c(C)n1 ZINC000094665921 191048939 /nfs/dbraw/zinc/04/89/39/191048939.db2.gz BHXYRASQQBMSSY-LLVKDONJSA-N 1 0 249.314 1.015 50 0 BDAARO c1cn2c(n1)[C@H](C[NH2+]Cc1ccccn1)CCC2 ZINC000089883749 362954581 /nfs/dbraw/zinc/95/45/81/362954581.db2.gz WQWAZJAJOIEZMS-LBPRGKRZSA-N 1 0 242.326 1.945 50 0 BDAARO CN(C(=O)C1CCCC1)C1CC[NH+](C)CC1 ZINC000033019507 350439504 /nfs/dbraw/zinc/43/95/04/350439504.db2.gz NTKDHXIGRCRXLF-UHFFFAOYSA-N 1 0 224.348 1.729 50 0 BDAARO CC[NH2+]Cc1cc(-c2ccc(F)cc2N)n[nH]1 ZINC000725264709 538092246 /nfs/dbraw/zinc/09/22/46/538092246.db2.gz LXJGUZVCZLARQV-UHFFFAOYSA-N 1 0 234.278 1.908 50 0 BDAARO Cc1nn(CC[NH+](C)C)c(C)c1Br ZINC000032916920 180387490 /nfs/dbraw/zinc/38/74/90/180387490.db2.gz LKVMCOCERDLAHY-UHFFFAOYSA-N 1 0 246.152 1.824 50 0 BDAARO Cc1nn(CCC[NH3+])c(C)c1Br ZINC000002558403 180388085 /nfs/dbraw/zinc/38/80/85/180388085.db2.gz NJGOTAWBGADHOH-UHFFFAOYSA-N 1 0 232.125 1.611 50 0 BDAARO Cc1nn(CC[NH3+])c(C)c1Br ZINC000002536608 180388998 /nfs/dbraw/zinc/38/89/98/180388998.db2.gz KPBFPJMTSMYSIP-UHFFFAOYSA-N 1 0 218.098 1.221 50 0 BDAARO OC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccoc1 ZINC000124040662 191141987 /nfs/dbraw/zinc/14/19/87/191141987.db2.gz FONKVQNOVHBKDI-FOSCPWQOSA-N 1 0 207.273 1.767 50 0 BDAARO CC(C)C[N@H+](CC(=O)NC(C)C)C1CC1 ZINC000045751463 353167217 /nfs/dbraw/zinc/16/72/17/353167217.db2.gz WWYNRSWUPZBYSH-UHFFFAOYSA-N 1 0 212.337 1.631 50 0 BDAARO FC(F)(F)[C@H]1C[NH2+]C[C@@H]1C(F)(F)F ZINC000071790833 180891111 /nfs/dbraw/zinc/89/11/11/180891111.db2.gz FFXGRLTZDZQINO-IMJSIDKUSA-N 1 0 207.117 1.947 50 0 BDAARO FC(F)(F)c1cc([C@@H]2CCC[NH2+]C2)[nH]n1 ZINC000019686208 180892207 /nfs/dbraw/zinc/89/22/07/180892207.db2.gz SUYFEJKANXXCAT-ZCFIWIBFSA-N 1 0 219.210 1.896 50 0 BDAARO FC1(F)CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000306212065 180918088 /nfs/dbraw/zinc/91/80/88/180918088.db2.gz JZBINXAXUOQSPQ-DTWKUNHWSA-N 1 0 205.248 1.943 50 0 BDAARO Cc1c[nH+]ccc1N1CCO[C@H](CF)C1 ZINC000334658254 354454390 /nfs/dbraw/zinc/45/43/90/354454390.db2.gz DQDUHIRAHJFXSX-SNVBAGLBSA-N 1 0 210.252 1.565 50 0 BDAARO Cc1ccc(/C=C/C(=O)NCC[NH2+]C2CC2)o1 ZINC000151528189 354870388 /nfs/dbraw/zinc/87/03/88/354870388.db2.gz FQZXCBYFIPQPLK-VOTSOKGWSA-N 1 0 234.299 1.469 50 0 BDAARO NC(=[NH2+])NCCCOc1cccc(Cl)c1 ZINC000071533447 181189912 /nfs/dbraw/zinc/18/99/12/181189912.db2.gz FTZIIXYARQCFFI-UHFFFAOYSA-N 1 0 227.695 1.592 50 0 BDAARO NC(=[NH2+])c1cc(OC2CCCC2)ccn1 ZINC000061814500 181194257 /nfs/dbraw/zinc/19/42/57/181194257.db2.gz WNXOEQNHKLUQSD-UHFFFAOYSA-N 1 0 205.261 1.687 50 0 BDAARO NC(=O)C1([NH2+]CCC2CC2)CCCCC1 ZINC000170030122 181214466 /nfs/dbraw/zinc/21/44/66/181214466.db2.gz BGGNGFDDWBWBRG-UHFFFAOYSA-N 1 0 210.321 1.564 50 0 BDAARO NC(=O)CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000048025387 181218943 /nfs/dbraw/zinc/21/89/43/181218943.db2.gz SZRZIBIJMKLZIL-LBPRGKRZSA-N 1 0 240.347 1.143 50 0 BDAARO NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000000217886 181218072 /nfs/dbraw/zinc/21/80/72/181218072.db2.gz AWCRERQDBQJIMY-UHFFFAOYSA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000006667539 181218082 /nfs/dbraw/zinc/21/80/82/181218082.db2.gz ARYICIJWHSZXTO-UHFFFAOYSA-N 1 0 218.300 1.384 50 0 BDAARO NC(=O)C[C@H]1CCCC[N@@H+]1CCCCCF ZINC000225466139 181246165 /nfs/dbraw/zinc/24/61/65/181246165.db2.gz KMCRWKWWHNPMGT-LLVKDONJSA-N 1 0 230.327 1.856 50 0 BDAARO COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000022942120 356368935 /nfs/dbraw/zinc/36/89/35/356368935.db2.gz XCAHYEUISIUALY-LLVKDONJSA-N 1 0 206.289 1.228 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000183077 181269500 /nfs/dbraw/zinc/26/95/00/181269500.db2.gz VDRFXNXPPJCMJD-LLVKDONJSA-N 1 0 236.290 1.523 50 0 BDAARO CCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000032787920 363553736 /nfs/dbraw/zinc/55/37/36/363553736.db2.gz XAXDJXCGKMRMLT-UHFFFAOYSA-N 1 0 224.348 1.873 50 0 BDAARO C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CCOCC1 ZINC000095403008 538607619 /nfs/dbraw/zinc/60/76/19/538607619.db2.gz IAFKZGAXLGGOCR-RYUDHWBXSA-N 1 0 213.321 1.306 50 0 BDAARO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccco2)C1 ZINC000093994610 538600723 /nfs/dbraw/zinc/60/07/23/538600723.db2.gz RUJOHXKPEJGOIF-VHSXEESVSA-N 1 0 222.288 1.492 50 0 BDAARO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000095422894 538603396 /nfs/dbraw/zinc/60/33/96/538603396.db2.gz SFTCTULRMQLPKW-AXFHLTTASA-N 1 0 215.362 1.633 50 0 BDAARO Cc1c[nH]c(C[NH2+]CC2CC2)c(C)c1=O ZINC000685948897 538891935 /nfs/dbraw/zinc/89/19/35/538891935.db2.gz VYLSKHKPFNTVIP-UHFFFAOYSA-N 1 0 206.289 1.491 50 0 BDAARO COC(=O)C[C@@H]([NH3+])CCc1ccccc1 ZINC000038339147 358147523 /nfs/dbraw/zinc/14/75/23/358147523.db2.gz XSSNVSFNSNFGFA-NSHDSACASA-N 1 0 207.273 1.510 50 0 BDAARO C[C@@H](CNC(=O)c1ccco1)[NH+]1CCCC1 ZINC000036076943 360564086 /nfs/dbraw/zinc/56/40/86/360564086.db2.gz PXQOZYWAWDTRNM-JTQLQIEISA-N 1 0 222.288 1.494 50 0 BDAARO C[C@H](CNC(=O)c1ccco1)[NH+]1CCCC1 ZINC000036076945 360564312 /nfs/dbraw/zinc/56/43/12/360564312.db2.gz PXQOZYWAWDTRNM-SNVBAGLBSA-N 1 0 222.288 1.494 50 0 BDAARO CCSCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000379585938 361108641 /nfs/dbraw/zinc/10/86/41/361108641.db2.gz QEDPNDIWDOJTKE-ZETCQYMHSA-N 1 0 214.338 1.517 50 0 BDAARO CCCOc1ccc(CN2CC[C@H]([NH3+])C2)cn1 ZINC000065267581 361367127 /nfs/dbraw/zinc/36/71/27/361367127.db2.gz DEQYVHJZBOPFAN-LBPRGKRZSA-N 1 0 235.331 1.403 50 0 BDAARO CCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000170053060 361386433 /nfs/dbraw/zinc/38/64/33/361386433.db2.gz RSZFGIRZCKWPBF-GHMZBOCLSA-N 1 0 210.321 1.148 50 0 BDAARO [NH3+]C1(c2cccc(Cl)c2F)COC1 ZINC000095630832 181335752 /nfs/dbraw/zinc/33/57/52/181335752.db2.gz IKINDHSSQXYIQA-UHFFFAOYSA-N 1 0 201.628 1.663 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(C)Cc1cccnc1 ZINC000036873330 361573133 /nfs/dbraw/zinc/57/31/33/361573133.db2.gz UGZKVRIZKCQDOV-NSHDSACASA-N 1 0 221.304 1.167 50 0 BDAARO CCCNC(=O)NC[C@](C)([NH3+])C(C)(C)C ZINC000725254810 541331948 /nfs/dbraw/zinc/33/19/48/541331948.db2.gz DJSKUIOGGCQRPJ-NSHDSACASA-N 1 0 215.341 1.459 50 0 BDAARO [NH3+]CC1(CN2CCOCC2)CCCCC1 ZINC000049815195 181358921 /nfs/dbraw/zinc/35/89/21/181358921.db2.gz QQUJTFAVYFEGLY-UHFFFAOYSA-N 1 0 212.337 1.228 50 0 BDAARO CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC2)[C@@H](C)C1 ZINC000245498763 541397352 /nfs/dbraw/zinc/39/73/52/541397352.db2.gz WWCIIVSDMPWKPD-CMPLNLGQSA-N 1 0 239.363 1.521 50 0 BDAARO [NH3+]CCCCSc1ncnc2[nH]cnc21 ZINC000003947360 181378093 /nfs/dbraw/zinc/37/80/93/181378093.db2.gz AVFWAHWADIQZLJ-UHFFFAOYSA-N 1 0 223.305 1.184 50 0 BDAARO [NH3+]CCCc1nc(Cc2ccccc2)no1 ZINC000021948856 181386771 /nfs/dbraw/zinc/38/67/71/181386771.db2.gz QRJVAYQJYPTKFZ-UHFFFAOYSA-N 1 0 217.272 1.552 50 0 BDAARO [NH3+]CC[C@H](O)c1ccc(Br)cc1 ZINC000019674797 181407907 /nfs/dbraw/zinc/40/79/07/181407907.db2.gz GSWDVKVULHKPED-VIFPVBQESA-N 1 0 230.105 1.831 50 0 BDAARO [NH3+]CCc1cccc(Br)n1 ZINC000044397071 181412340 /nfs/dbraw/zinc/41/23/40/181412340.db2.gz SPZHBKMCZADCIW-UHFFFAOYSA-N 1 0 201.067 1.345 50 0 BDAARO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cscn1 ZINC000084212493 181432861 /nfs/dbraw/zinc/43/28/61/181432861.db2.gz YUBAHAUFVLCCKB-JGVFFNPUSA-N 1 0 225.317 1.000 50 0 BDAARO O=C1Nc2cc(Cl)ccc2[C@]12CC[NH2+]C2 ZINC000211564001 368399663 /nfs/dbraw/zinc/39/96/63/368399663.db2.gz PFOPXMCPUFTBNK-LLVKDONJSA-N 1 0 222.675 1.523 50 0 BDAARO c1cncc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000144475253 368393699 /nfs/dbraw/zinc/39/36/99/368393699.db2.gz ULEPSAODLCYTMU-IAZYJMLFSA-N 1 0 204.273 1.743 50 0 BDAARO CCC[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000584892678 369039653 /nfs/dbraw/zinc/03/96/53/369039653.db2.gz XVKMZIYIQUWQJZ-NSHDSACASA-N 1 0 236.319 1.014 50 0 BDAARO [NH3+]Cc1ncc(Br)cc1F ZINC000066322853 181503048 /nfs/dbraw/zinc/50/30/48/181503048.db2.gz POSJGZKYSFEBMH-UHFFFAOYSA-N 1 0 205.030 1.442 50 0 BDAARO CCc1[nH+]c(N)nc(N)c1-c1ccccc1 ZINC000013282257 371030866 /nfs/dbraw/zinc/03/08/66/371030866.db2.gz XREDUPOVEQDQQS-UHFFFAOYSA-N 1 0 214.272 1.870 50 0 in-vivo BDAARO O=C1C[C@H]([NH2+]C2CC2)C(=O)N1c1ccccc1 ZINC000019889558 371197922 /nfs/dbraw/zinc/19/79/22/371197922.db2.gz YXHWQGQJCLZEHC-NSHDSACASA-N 1 0 230.267 1.071 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000041028481 181643310 /nfs/dbraw/zinc/64/33/10/181643310.db2.gz ZSPJWFQWCXUEOP-LBPRGKRZSA-N 1 0 236.290 1.318 50 0 BDAARO CCC(C)(C)[NH2+]CCCCNC(=O)OC ZINC000096027383 371382262 /nfs/dbraw/zinc/38/22/62/371382262.db2.gz XRVLNXWUJGTIMG-UHFFFAOYSA-N 1 0 216.325 1.901 50 0 BDAARO O=C(/C=C/c1cccc(F)c1)N[C@@H]1CCC[NH2+]C1 ZINC000120325558 181839367 /nfs/dbraw/zinc/83/93/67/181839367.db2.gz QGCCJDQHZYGRRD-KTRBRXNASA-N 1 0 248.301 1.707 50 0 BDAARO C[C@H]1CN(C(=O)/C=C\c2ccccc2F)CC[NH2+]1 ZINC000606441564 372101974 /nfs/dbraw/zinc/10/19/74/372101974.db2.gz MBRLGHXUKIQROR-ZADCQDASSA-N 1 0 248.301 1.659 50 0 BDAARO CN(C(=O)/C=C\c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000606441777 372103071 /nfs/dbraw/zinc/10/30/71/372103071.db2.gz TXFZIKDKRUVREH-DGMVEKRQSA-N 1 0 248.301 1.659 50 0 BDAARO C[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000032089890 372146534 /nfs/dbraw/zinc/14/65/34/372146534.db2.gz JBYHHQGWFKBNMP-ZDUSSCGKSA-N 1 0 234.343 1.185 50 0 BDAARO C[C@@H](Cn1cncn1)[NH2+]Cc1ccsc1 ZINC000067504933 372801882 /nfs/dbraw/zinc/80/18/82/372801882.db2.gz HNACINIJAQFOKK-VIFPVBQESA-N 1 0 222.317 1.518 50 0 BDAARO CONC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000040489219 373315316 /nfs/dbraw/zinc/31/53/16/373315316.db2.gz HKTZPIXIWYBTDH-UHFFFAOYSA-N 1 0 248.326 1.964 50 0 BDAARO Cc1cc(C[N@@H+]2CCC[C@H]2Cn2cncn2)on1 ZINC000069621098 373540851 /nfs/dbraw/zinc/54/08/51/373540851.db2.gz OJXQQRANVCKVQE-NSHDSACASA-N 1 0 247.302 1.239 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1cccnc1 ZINC000003024510 182184330 /nfs/dbraw/zinc/18/43/30/182184330.db2.gz KMDOMWZXNULEPX-UHFFFAOYSA-N 1 0 233.315 1.297 50 0 BDAARO Cc1ccc(CC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000041028156 374080109 /nfs/dbraw/zinc/08/01/09/374080109.db2.gz FHWGIQIDINIGJI-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO O=C(NC[C@H]1CCCC[NH2+]1)c1cccc(O)c1 ZINC000019386471 182236447 /nfs/dbraw/zinc/23/64/47/182236447.db2.gz MGMBCHOUXNLNOD-LLVKDONJSA-N 1 0 234.299 1.264 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019263729 182295298 /nfs/dbraw/zinc/29/52/98/182295298.db2.gz ZFLKDMGBVZHBAC-LLVKDONJSA-N 1 0 204.273 1.168 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000298516911 182335980 /nfs/dbraw/zinc/33/59/80/182335980.db2.gz VLSCMGJANNLQQP-STQMWFEESA-N 1 0 245.326 1.438 50 0 BDAARO O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C1CC1 ZINC000169792870 182363469 /nfs/dbraw/zinc/36/34/69/182363469.db2.gz ZBQNLFRQIDILGM-UHFFFAOYSA-N 1 0 232.283 1.517 50 0 BDAARO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]1 ZINC000019483592 182364229 /nfs/dbraw/zinc/36/42/29/182364229.db2.gz ZMISFMUNLMWIGO-SNVBAGLBSA-N 1 0 248.282 1.148 50 0 BDAARO O=C(Nc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000019409582 182369479 /nfs/dbraw/zinc/36/94/79/182369479.db2.gz HNNMQLDQZGAIOZ-UHFFFAOYSA-N 1 0 222.263 1.764 50 0 BDAARO O=C(OC[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000042768295 182603859 /nfs/dbraw/zinc/60/38/59/182603859.db2.gz KHKFMQHOQJTKCS-SNVBAGLBSA-N 1 0 220.272 1.238 50 0 BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCc2ccccc2C1 ZINC000011754398 182617208 /nfs/dbraw/zinc/61/72/08/182617208.db2.gz XVQFBLXWWPWKBC-ZDUSSCGKSA-N 1 0 230.311 1.323 50 0 BDAARO O=C1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000060009104 182721292 /nfs/dbraw/zinc/72/12/92/182721292.db2.gz KUQPSRVEBGIYRZ-UHFFFAOYSA-N 1 0 201.269 1.894 50 0 BDAARO O=c1ccc2ccc(OC3CC[NH2+]CC3)cc2o1 ZINC000014631960 183001332 /nfs/dbraw/zinc/00/13/32/183001332.db2.gz VTTROTSDBGKBIX-UHFFFAOYSA-N 1 0 245.278 1.924 50 0 BDAARO OCC1CC[NH+](Cc2ccccc2)CC1 ZINC000000161602 183040318 /nfs/dbraw/zinc/04/03/18/183040318.db2.gz FLQPYEOKVZYXRL-UHFFFAOYSA-N 1 0 205.301 1.891 50 0 BDAARO OCCCC[N@H+](C[C@@H]1CCCO1)C1CC1 ZINC000071921800 183048706 /nfs/dbraw/zinc/04/87/06/183048706.db2.gz GBFRMUBHYIHFJS-LBPRGKRZSA-N 1 0 213.321 1.402 50 0 BDAARO OCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000000035452 183072538 /nfs/dbraw/zinc/07/25/38/183072538.db2.gz IYQAULQBUDUAMP-LBPRGKRZSA-N 1 0 206.289 1.601 50 0 biogenic,in-vitro BDAARO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cncs1 ZINC000063218983 183106478 /nfs/dbraw/zinc/10/64/78/183106478.db2.gz HUBDRMATDNYWOX-GFCCVEGCSA-N 1 0 248.351 1.836 50 0 BDAARO OC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000036038393 183140151 /nfs/dbraw/zinc/14/01/51/183140151.db2.gz NBDRVJMAESHLBR-VHSXEESVSA-N 1 0 249.232 1.233 50 0 BDAARO OC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000036038391 183141642 /nfs/dbraw/zinc/14/16/42/183141642.db2.gz NBDRVJMAESHLBR-UWVGGRQHSA-N 1 0 249.232 1.233 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000002382997 183150301 /nfs/dbraw/zinc/15/03/01/183150301.db2.gz GNRVSNDRVLFXJD-GFCCVEGCSA-N 1 0 209.264 1.782 50 0 BDAARO OC[C@]1(F)CCC[N@H+](CC2CCC2)C1 ZINC000334890793 183157171 /nfs/dbraw/zinc/15/71/71/183157171.db2.gz NKQZUJIJOTVIRH-NSHDSACASA-N 1 0 201.285 1.583 50 0 BDAARO OCc1ccc(C[NH2+][C@@H]2CCCSC2)o1 ZINC000079014945 183164720 /nfs/dbraw/zinc/16/47/20/183164720.db2.gz OCCLUXVZGSTFPH-SECBINFHSA-N 1 0 227.329 1.757 50 0 BDAARO CCC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000047717300 169075297 /nfs/dbraw/zinc/07/52/97/169075297.db2.gz LHGTVBQJPNNTSJ-UHFFFAOYSA-N 1 0 211.265 1.263 50 0 BDAARO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(CF)CC1 ZINC000336253940 183187831 /nfs/dbraw/zinc/18/78/31/183187831.db2.gz ZHTSCOWMEFRMAO-NWDGAFQWSA-N 1 0 215.312 1.971 50 0 BDAARO O[C@@H](C[N@@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000101322175 183192631 /nfs/dbraw/zinc/19/26/31/183192631.db2.gz UXDSNEZYZXMQEY-OLZOCXBDSA-N 1 0 221.300 1.177 50 0 BDAARO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC)C1 ZINC000096431345 169078337 /nfs/dbraw/zinc/07/83/37/169078337.db2.gz UIBLEHXXRXSISS-LLVKDONJSA-N 1 0 227.352 1.380 50 0 BDAARO O[C@H](C[NH2+]Cc1ccccc1)C(F)(F)F ZINC000012960023 183224059 /nfs/dbraw/zinc/22/40/59/183224059.db2.gz NKTRJOFXPSASPC-SECBINFHSA-N 1 0 219.206 1.699 50 0 BDAARO O[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000178942677 183239445 /nfs/dbraw/zinc/23/94/45/183239445.db2.gz OUVVTKNCRHZTGI-AAEUAGOBSA-N 1 0 221.275 1.880 50 0 BDAARO O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070063710 183239481 /nfs/dbraw/zinc/23/94/81/183239481.db2.gz LPAUXFJVHQOLPC-AWEZNQCLSA-N 1 0 217.312 1.742 50 0 BDAARO O[C@H]1C[NH2+][C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000049587725 183245252 /nfs/dbraw/zinc/24/52/52/183245252.db2.gz FZFUFKCKPSCCJC-ZJUUUORDSA-N 1 0 249.245 1.271 50 0 biogenic,in-vitro BDAARO O[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000294864274 183247539 /nfs/dbraw/zinc/24/75/39/183247539.db2.gz OOYMNTLBFHFDHW-PHIMTYICSA-N 1 0 213.227 1.578 50 0 BDAARO Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000000237165 183290438 /nfs/dbraw/zinc/29/04/38/183290438.db2.gz NSDQSEGFFDPDRA-UHFFFAOYSA-N 1 0 209.314 1.941 50 0 BDAARO Oc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000004990270 183290464 /nfs/dbraw/zinc/29/04/64/183290464.db2.gz MTERIHPLWDHFDY-GFCCVEGCSA-N 1 0 207.273 1.349 50 0 BDAARO CCC[NH+]1CCC(NC(=O)OCC)CC1 ZINC000016604467 169188814 /nfs/dbraw/zinc/18/88/14/169188814.db2.gz XMEHNLVWRNSKSD-UHFFFAOYSA-N 1 0 214.309 1.607 50 0 BDAARO c1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)ccn1 ZINC000063084497 183331080 /nfs/dbraw/zinc/33/10/80/183331080.db2.gz BKYWEOPVBRAVHF-SNVBAGLBSA-N 1 0 244.298 1.674 50 0 BDAARO CCCN1CC[N@H+](CC(C)C)[C@@H](CCO)C1 ZINC000020272208 169202812 /nfs/dbraw/zinc/20/28/12/169202812.db2.gz VQHBOBRKMQPOLE-ZDUSSCGKSA-N 1 0 228.380 1.421 50 0 BDAARO S=C(NCC[NH+]1CCCCC1)NC1CC1 ZINC000136029343 183310960 /nfs/dbraw/zinc/31/09/60/183310960.db2.gz HLIUCHZVFRIIGD-UHFFFAOYSA-N 1 0 227.377 1.099 50 0 BDAARO CCC[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000020131732 169208666 /nfs/dbraw/zinc/20/86/66/169208666.db2.gz VHYQWHQRBZHKRF-UHFFFAOYSA-N 1 0 225.317 1.613 50 0 BDAARO c1cn(CCC[NH2+]Cc2ccncc2)cn1 ZINC000039170029 183349793 /nfs/dbraw/zinc/34/97/93/183349793.db2.gz QWKABRUIDAEGCV-UHFFFAOYSA-N 1 0 216.288 1.458 50 0 BDAARO c1cc(N[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000043324423 183370261 /nfs/dbraw/zinc/37/02/61/183370261.db2.gz AANMWTKLRLIILV-JTQLQIEISA-N 1 0 220.272 1.579 50 0 BDAARO c1cc2c(s1)CCN(C1CC[NH2+]CC1)C2 ZINC000043501198 183373893 /nfs/dbraw/zinc/37/38/93/183373893.db2.gz DOCBYMNEINOAFL-UHFFFAOYSA-N 1 0 222.357 1.858 50 0 BDAARO c1nc(CN2CC[NH2+]CC2)oc1-c1ccccc1 ZINC000036946285 183381249 /nfs/dbraw/zinc/38/12/49/183381249.db2.gz JDCCWCNNHAYIDF-UHFFFAOYSA-N 1 0 243.310 1.747 50 0 BDAARO c1ccc(-c2nc(C[C@H]3CC[NH2+]C3)no2)cc1 ZINC000083326242 183381819 /nfs/dbraw/zinc/38/18/19/183381819.db2.gz IPOHNSGSRGLYMC-SNVBAGLBSA-N 1 0 229.283 1.889 50 0 BDAARO CCC[NH2+]C[C@H](O)CNc1ccc(C)cc1 ZINC000003636237 169263326 /nfs/dbraw/zinc/26/33/26/169263326.db2.gz LRKHSSWFQRVLEO-ZDUSSCGKSA-N 1 0 222.332 1.767 50 0 BDAARO CCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000004717551 169268244 /nfs/dbraw/zinc/26/82/44/169268244.db2.gz AXXOGMDZXSJARV-UHFFFAOYSA-N 1 0 233.315 1.377 50 0 BDAARO c1cn2nc(C3CC[NH2+]CC3)ccc2n1 ZINC000040449982 183476996 /nfs/dbraw/zinc/47/69/96/183476996.db2.gz IGFQZUPZPZEUTB-UHFFFAOYSA-N 1 0 202.261 1.196 50 0 BDAARO c1cnn(CC[NH2+]C[C@H]2CCCCO2)c1 ZINC000042540771 183502545 /nfs/dbraw/zinc/50/25/45/183502545.db2.gz XRPOGTWZENFHIA-LLVKDONJSA-N 1 0 209.293 1.042 50 0 BDAARO CCC[C@@H](NC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000067559976 169396117 /nfs/dbraw/zinc/39/61/17/169396117.db2.gz MWVNIELGJUGMIG-CYBMUJFWSA-N 1 0 232.327 1.863 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])CC1 ZINC000025336369 166648283 /nfs/dbraw/zinc/64/82/83/166648283.db2.gz YCOKHOLOSGJEGL-VIFPVBQESA-N 1 0 214.309 1.735 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC000022016001 166652682 /nfs/dbraw/zinc/65/26/82/166652682.db2.gz RVRRDUVETGVTPA-DTWKUNHWSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000043220733 166655163 /nfs/dbraw/zinc/65/51/63/166655163.db2.gz JMCDKYJLNLUCRX-GFCCVEGCSA-N 1 0 226.320 1.749 50 0 BDAARO CC(C)(C)OC(=O)NCCCC(N)=[NH2+] ZINC000042463284 166661350 /nfs/dbraw/zinc/66/13/50/166661350.db2.gz XXISVYRSBDNLOV-UHFFFAOYSA-N 1 0 201.270 1.227 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000100005091 166665153 /nfs/dbraw/zinc/66/51/53/166665153.db2.gz FEYLUKDSKVSMSZ-DTORHVGOSA-N 1 0 214.309 1.781 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@]12CC[NH2+]C2 ZINC000039093696 166666753 /nfs/dbraw/zinc/66/67/53/166666753.db2.gz MWTHZUMWDMOWQO-KCJUWKMLSA-N 1 0 212.293 1.263 50 0 BDAARO CCCc1nnc(NC(=O)[C@H]2CC[NH2+]C2)s1 ZINC000150727471 169598441 /nfs/dbraw/zinc/59/84/41/169598441.db2.gz OJFGZRWIPFUMOH-ZETCQYMHSA-N 1 0 240.332 1.039 50 0 BDAARO c1nc2ccccc2n1[C@H]1CCC[NH2+]C1 ZINC000035570765 383861456 /nfs/dbraw/zinc/86/14/56/383861456.db2.gz JUMOLFANWQYULP-JTQLQIEISA-N 1 0 201.273 1.961 50 0 BDAARO C[NH+]1CCC(OC(=O)COc2ccccc2)CC1 ZINC000000383098 383862489 /nfs/dbraw/zinc/86/24/89/383862489.db2.gz ILFBQXDBMHQARH-UHFFFAOYSA-N 1 0 249.310 1.703 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccco1 ZINC000035738303 383873010 /nfs/dbraw/zinc/87/30/10/383873010.db2.gz QVDMUXFZYUXPLN-VHSXEESVSA-N 1 0 224.304 1.830 50 0 BDAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000035735854 383873699 /nfs/dbraw/zinc/87/36/99/383873699.db2.gz WANKLARNWVNQJV-DGCLKSJQSA-N 1 0 248.326 1.782 50 0 BDAARO C[C@H](CN1CC[NH+](C)CC1)Nc1ccccn1 ZINC000071882477 383888419 /nfs/dbraw/zinc/88/84/19/383888419.db2.gz SGUIJIAHGTZWGH-GFCCVEGCSA-N 1 0 234.347 1.129 50 0 BDAARO CC1(C)CN(C2(C[NH3+])CCCCC2)CCO1 ZINC000036232290 383890411 /nfs/dbraw/zinc/89/04/11/383890411.db2.gz KVLPXLXCRNCEKC-UHFFFAOYSA-N 1 0 226.364 1.759 50 0 BDAARO C[NH+](C)CCCN1CCC(=O)[C@H]2CCCC[C@H]21 ZINC000001304639 383894082 /nfs/dbraw/zinc/89/40/82/383894082.db2.gz XRHMZCPDNZTCHO-QWHCGFSZSA-N 1 0 238.375 1.772 50 0 BDAARO Cc1n[nH]c(C)c1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000036736531 383905950 /nfs/dbraw/zinc/90/59/50/383905950.db2.gz OUXJXKCOPDSPQN-VIFPVBQESA-N 1 0 224.308 1.338 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000050245932 383985590 /nfs/dbraw/zinc/98/55/90/383985590.db2.gz AJPBXCGURNZUPK-SNVBAGLBSA-N 1 0 236.290 1.175 50 0 BDAARO Cc1ccoc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000089701941 383986575 /nfs/dbraw/zinc/98/65/75/383986575.db2.gz ZCDXAJKPRUVMHT-NEPJUHHUSA-N 1 0 248.326 1.897 50 0 BDAARO Cc1nccc(N2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000067713008 383939660 /nfs/dbraw/zinc/93/96/60/383939660.db2.gz UHHHSEIZURCAND-UHFFFAOYSA-N 1 0 246.358 1.707 50 0 BDAARO Cc1c(C[NH+]2CCC3(CC[C@H]3O)CC2)cnn1C ZINC000257185536 384062790 /nfs/dbraw/zinc/06/27/90/384062790.db2.gz JOYPCVFEOPZSEE-CYBMUJFWSA-N 1 0 249.358 1.465 50 0 BDAARO CC(=O)Nc1nc2ccccc2n1CC[NH+](C)C ZINC000004551122 384066923 /nfs/dbraw/zinc/06/69/23/384066923.db2.gz ZDYLEEAXWZRSGF-UHFFFAOYSA-N 1 0 246.314 1.556 50 0 BDAARO CC(C)(C)CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000077452053 384069503 /nfs/dbraw/zinc/06/95/03/384069503.db2.gz ASNLBQCBENOERA-ZJUUUORDSA-N 1 0 210.321 1.243 50 0 BDAARO COC(=O)c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000035571905 384081378 /nfs/dbraw/zinc/08/13/78/384081378.db2.gz KNEZYFRQMRLOHZ-NSHDSACASA-N 1 0 219.284 1.625 50 0 BDAARO C[NH+](C)CCNC(=O)Nc1ccc(F)cc1F ZINC000005041570 384097561 /nfs/dbraw/zinc/09/75/61/384097561.db2.gz PRQBMYQBZXQFPX-UHFFFAOYSA-N 1 0 243.257 1.648 50 0 BDAARO CC(C)=CC(=O)N1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091476336 384128267 /nfs/dbraw/zinc/12/82/67/384128267.db2.gz CVEYWJVYIDDGAK-MNOVXSKESA-N 1 0 210.321 1.394 50 0 BDAARO CC[C@]1(CO)CCC[N@H+](Cc2cncnc2)C1 ZINC000091519398 384131455 /nfs/dbraw/zinc/13/14/55/384131455.db2.gz QAXBNMRZYWKQGS-ZDUSSCGKSA-N 1 0 235.331 1.461 50 0 BDAARO Cc1cnc(N)nc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000092046994 384160373 /nfs/dbraw/zinc/16/03/73/384160373.db2.gz XCVUQWGISNSOGG-LLVKDONJSA-N 1 0 249.362 1.288 50 0 BDAARO COC(=O)[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000071909440 384160711 /nfs/dbraw/zinc/16/07/11/384160711.db2.gz FAWPDEGHSRIFNV-QWRGUYRKSA-N 1 0 209.289 1.733 50 0 BDAARO C1CC(c2nc(C3CC[NH2+]CC3)no2)C1 ZINC000062253515 384163631 /nfs/dbraw/zinc/16/36/31/384163631.db2.gz WJQQGAMGZQUCAF-UHFFFAOYSA-N 1 0 207.277 1.804 50 0 BDAARO c1cncc(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000118663216 384207182 /nfs/dbraw/zinc/20/71/82/384207182.db2.gz ULEPSAODLCYTMU-DHHPTOIESA-N 1 0 204.273 1.743 50 0 BDAARO C[C@@H]([NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000041639411 384194651 /nfs/dbraw/zinc/19/46/51/384194651.db2.gz PSYRJALPHDWLAG-MRVPVSSYSA-N 1 0 219.288 1.990 50 0 BDAARO CC[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C(C)C ZINC000072171133 384197602 /nfs/dbraw/zinc/19/76/02/384197602.db2.gz DYYJQWGCBWRBFT-LBPRGKRZSA-N 1 0 236.363 1.714 50 0 BDAARO [NH3+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000072198742 384200967 /nfs/dbraw/zinc/20/09/67/384200967.db2.gz HRUSBMMNOMBWAV-MRVPVSSYSA-N 1 0 234.068 1.580 50 0 BDAARO Fc1cc(Br)ccc1OC1C[NH2+]C1 ZINC000042770062 384239459 /nfs/dbraw/zinc/23/94/59/384239459.db2.gz IUBGLOJORVPFGQ-UHFFFAOYSA-N 1 0 246.079 1.939 50 0 BDAARO CC(=O)Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000042776272 384242665 /nfs/dbraw/zinc/24/26/65/384242665.db2.gz AGOZBGDLGQUWDJ-ZDUSSCGKSA-N 1 0 234.299 1.776 50 0 BDAARO COC(=O)c1ccccc1COC1CC[NH2+]CC1 ZINC000042782944 384243321 /nfs/dbraw/zinc/24/33/21/384243321.db2.gz ACSSPXFMCKEJEU-UHFFFAOYSA-N 1 0 249.310 1.742 50 0 BDAARO COC(=O)c1ccccc1CO[C@@H]1CC[NH2+]C1 ZINC000042782948 384242476 /nfs/dbraw/zinc/24/24/76/384242476.db2.gz WSXXILVLRJMBIB-LLVKDONJSA-N 1 0 235.283 1.352 50 0 BDAARO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000158058789 384311278 /nfs/dbraw/zinc/31/12/78/384311278.db2.gz ORYFOXLVSFKUEC-OIBJUYFYSA-N 1 0 236.319 1.037 50 0 BDAARO O=C(C1CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012343503 384313438 /nfs/dbraw/zinc/31/34/38/384313438.db2.gz QKLVGLBIHMZVLR-UHFFFAOYSA-N 1 0 236.359 1.873 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]C[C@H]21 ZINC000012506743 384322676 /nfs/dbraw/zinc/32/26/76/384322676.db2.gz ITVHTQLHEQGQNG-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000011897058 384300597 /nfs/dbraw/zinc/30/05/97/384300597.db2.gz BNJNKUCNFQWIMG-SNVBAGLBSA-N 1 0 225.313 1.212 50 0 BDAARO c1cncc(-c2noc(C3CC[NH2+]CC3)n2)c1 ZINC000012955125 384344190 /nfs/dbraw/zinc/34/41/90/384344190.db2.gz DYVVZZYZACPGHP-UHFFFAOYSA-N 1 0 230.271 1.599 50 0 BDAARO CN1C(=O)C[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000095347712 384369611 /nfs/dbraw/zinc/36/96/11/384369611.db2.gz VPJNCUJVFAIGTH-ZYHUDNBSSA-N 1 0 204.273 1.165 50 0 BDAARO C[C@@H]([NH2+]CC1OCCO1)C1CCCCC1 ZINC000097109658 384370864 /nfs/dbraw/zinc/37/08/64/384370864.db2.gz UHAFLCSWVJSTSY-SNVBAGLBSA-N 1 0 213.321 1.918 50 0 BDAARO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CCO[C@@H]1C ZINC000328619537 384332794 /nfs/dbraw/zinc/33/27/94/384332794.db2.gz FZZIJTJTVQLPQX-FVCCEPFGSA-N 1 0 227.348 1.815 50 0 BDAARO Cc1cccc(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000097096578 384333804 /nfs/dbraw/zinc/33/38/04/384333804.db2.gz ODHGSIQDTLHDAS-ZDUSSCGKSA-N 1 0 248.374 1.438 50 0 BDAARO CCCC(=O)N1CCC[N@H+](C[C@H](O)CC)CC1 ZINC000075645261 384334055 /nfs/dbraw/zinc/33/40/55/384334055.db2.gz KXJYXLLTXPYNDL-GFCCVEGCSA-N 1 0 242.363 1.092 50 0 BDAARO [NH3+][C@@H]1CCC12CN(C(=O)OCc1ccccc1)C2 ZINC000095743302 384393447 /nfs/dbraw/zinc/39/34/47/384393447.db2.gz FMCGNVMCATULGB-GFCCVEGCSA-N 1 0 246.310 1.746 50 0 BDAARO O=S(=O)(C[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000095908566 384407182 /nfs/dbraw/zinc/40/71/82/384407182.db2.gz MJVPZCMQCZEBAA-LLVKDONJSA-N 1 0 245.388 1.876 50 0 BDAARO Cn1cnnc1SCCC1CC[NH2+]CC1 ZINC000095908646 384408166 /nfs/dbraw/zinc/40/81/66/384408166.db2.gz AWLXMAOOJQIFDW-UHFFFAOYSA-N 1 0 226.349 1.297 50 0 BDAARO CC[C@H](O)CN1CCC[N@H+](CC(C)C)CC1 ZINC000077655539 384413813 /nfs/dbraw/zinc/41/38/13/384413813.db2.gz CXIPSWZLGLIMPW-ZDUSSCGKSA-N 1 0 228.380 1.421 50 0 BDAARO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCCC1 ZINC000095483750 384378383 /nfs/dbraw/zinc/37/83/83/384378383.db2.gz FFRVQTGCNAGNJO-LBPRGKRZSA-N 1 0 208.280 1.921 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000095616552 384382654 /nfs/dbraw/zinc/38/26/54/384382654.db2.gz CVHJEFDRBTZVEL-HTQZYQBOSA-N 1 0 218.272 1.293 50 0 BDAARO [NH3+]CCc1ccc(I)cc1 ZINC000016124438 384452585 /nfs/dbraw/zinc/45/25/85/384452585.db2.gz IQFHGSFDGGJWSJ-UHFFFAOYSA-N 1 0 247.079 1.792 50 0 BDAARO CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[NH2+]1 ZINC000032903869 384439576 /nfs/dbraw/zinc/43/95/76/384439576.db2.gz KRVRDTXHQFGXDX-LBPRGKRZSA-N 1 0 236.290 1.536 50 0 BDAARO CCO[C@H]1C[C@H](N(C)C(=O)C[NH3+])C1(CC)CC ZINC000121858697 384442011 /nfs/dbraw/zinc/44/20/11/384442011.db2.gz QCKOSMDSLSCDIY-QWRGUYRKSA-N 1 0 242.363 1.387 50 0 BDAARO C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000079016873 384480552 /nfs/dbraw/zinc/48/05/52/384480552.db2.gz FWTHDJLHNCEJBW-ZJUUUORDSA-N 1 0 228.336 1.851 50 0 BDAARO Cc1cc(C(F)(F)F)nc(CC[NH3+])n1 ZINC000019089254 384510713 /nfs/dbraw/zinc/51/07/13/384510713.db2.gz VASVEIQEERCESN-UHFFFAOYSA-N 1 0 205.183 1.305 50 0 BDAARO COC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000097054156 384491487 /nfs/dbraw/zinc/49/14/87/384491487.db2.gz BOPFMTGEJBATKF-NSHDSACASA-N 1 0 211.305 1.957 50 0 BDAARO [NH3+]Cc1cn2cc(Br)ccc2n1 ZINC000019765368 384536782 /nfs/dbraw/zinc/53/67/82/384536782.db2.gz SWDDNRAKHXZZJV-UHFFFAOYSA-N 1 0 226.077 1.556 50 0 BDAARO COc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019409392 384523326 /nfs/dbraw/zinc/52/33/26/384523326.db2.gz SMFQDHOZSBZMPK-SNVBAGLBSA-N 1 0 234.299 1.633 50 0 BDAARO Cc1[nH]nc(C2CC2)c1C(=O)N[C@H]1CC[C@@H]([NH3+])C1 ZINC000097546578 384530658 /nfs/dbraw/zinc/53/06/58/384530658.db2.gz YPJGDNBRJOFYSV-ZJUUUORDSA-N 1 0 248.330 1.205 50 0 BDAARO Cc1cc(C)n2nc(C3CC[NH2+]CC3)nc2n1 ZINC000253495411 384545209 /nfs/dbraw/zinc/54/52/09/384545209.db2.gz CQTWUUMGEWPFFQ-UHFFFAOYSA-N 1 0 231.303 1.208 50 0 BDAARO CC1(C)OC[C@H]([NH3+])[C@@H](c2ccccc2)O1 ZINC000016037523 384541568 /nfs/dbraw/zinc/54/15/68/384541568.db2.gz ILNGCJMEDIBPTL-WDEREUQCSA-N 1 0 207.273 1.838 50 0 BDAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000020182596 384590427 /nfs/dbraw/zinc/59/04/27/384590427.db2.gz YHXDELLZIAKIIF-NSHDSACASA-N 1 0 204.273 1.250 50 0 BDAARO CCN(CC[NH+](C)C)Cc1c(C)noc1C ZINC000098211877 384603978 /nfs/dbraw/zinc/60/39/78/384603978.db2.gz YNAPUSQOVRIAIB-UHFFFAOYSA-N 1 0 225.336 1.675 50 0 BDAARO Cc1n[nH]c(=S)n1CCC[NH+](C)C ZINC000020590353 384624606 /nfs/dbraw/zinc/62/46/06/384624606.db2.gz ZKLDLBJKAWRZBU-UHFFFAOYSA-N 1 0 200.311 1.201 50 0 BDAARO C[C@H]([NH3+])C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000178813441 384637007 /nfs/dbraw/zinc/63/70/07/384637007.db2.gz CCLDGRZIKCKSKL-QWRGUYRKSA-N 1 0 247.342 1.201 50 0 BDAARO Cc1cc[nH+]c(NCCNC(=O)c2ccoc2)c1 ZINC000020858300 384640626 /nfs/dbraw/zinc/64/06/26/384640626.db2.gz JHUTYQHPOZPNKX-UHFFFAOYSA-N 1 0 245.282 1.825 50 0 BDAARO Cc1ccc(C)c(S(=O)(=O)CC[NH3+])c1 ZINC000011896402 384683933 /nfs/dbraw/zinc/68/39/33/384683933.db2.gz PCVPREIHNWVRSE-UHFFFAOYSA-N 1 0 213.302 1.036 50 0 BDAARO c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]32)cc1 ZINC000101730056 384686810 /nfs/dbraw/zinc/68/68/10/384686810.db2.gz BLCVYHKAZCBAKF-CHWSQXEVSA-N 1 0 202.301 1.480 50 0 BDAARO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000021986745 384718129 /nfs/dbraw/zinc/71/81/29/384718129.db2.gz PGZCVLUQTJRRAA-BDAKNGLRSA-N 1 0 214.309 1.604 50 0 in-vitro BDAARO COC(=O)c1ccc(CN2CC[NH2+][C@H](C)C2)cc1 ZINC000022798621 384776195 /nfs/dbraw/zinc/77/61/95/384776195.db2.gz UMYOUNGBUSQMCP-LLVKDONJSA-N 1 0 248.326 1.267 50 0 BDAARO CC(=O)Nc1ccc([C@H]2[NH2+]CCS2)cc1 ZINC000052537779 384736321 /nfs/dbraw/zinc/73/63/21/384736321.db2.gz UTUASLMFNMSSIQ-NSHDSACASA-N 1 0 222.313 1.980 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+](C)C)c(Cl)c1 ZINC000004755312 384744919 /nfs/dbraw/zinc/74/49/19/384744919.db2.gz DCFWJPRRNPOOKZ-UHFFFAOYSA-N 1 0 240.734 1.940 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCc2cccc(F)c2C1 ZINC000083917491 384757229 /nfs/dbraw/zinc/75/72/29/384757229.db2.gz CJSQEJZJJGAPJA-CYBMUJFWSA-N 1 0 248.301 1.462 50 0 BDAARO [NH3+]Cc1nnnn1-c1cccc2ccccc21 ZINC000054744651 384851794 /nfs/dbraw/zinc/85/17/94/384851794.db2.gz FYDFSSQRWRUQPX-UHFFFAOYSA-N 1 0 225.255 1.274 50 0 BDAARO C[NH+](C)C[C@@H]1CCc2ccccc2C1=O ZINC000003593576 384856146 /nfs/dbraw/zinc/85/61/46/384856146.db2.gz OMCOACHXKJOZMD-NSHDSACASA-N 1 0 203.285 1.993 50 0 BDAARO CS[C@H](C)C[NH2+][C@@H]1CCN(C(C)C)C1 ZINC000127941311 384924407 /nfs/dbraw/zinc/92/44/07/384924407.db2.gz ULAZLSDVKZZYMG-GHMZBOCLSA-N 1 0 216.394 1.810 50 0 BDAARO OCC[NH2+]CCCCCOc1ccc(F)cc1 ZINC000002380016 384936669 /nfs/dbraw/zinc/93/66/69/384936669.db2.gz QMGFEBXSDODHNF-UHFFFAOYSA-N 1 0 241.306 1.957 50 0 BDAARO Cc1cc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)ccc1O ZINC000067934303 385046458 /nfs/dbraw/zinc/04/64/58/385046458.db2.gz GVBIABALQBNINW-GHMZBOCLSA-N 1 0 234.299 1.310 50 0 BDAARO C[C@H]([NH2+]Cc1cnn[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000585123186 385088261 /nfs/dbraw/zinc/08/82/61/385088261.db2.gz APIWLXLGOJELST-SWPVVBRQSA-N 1 0 206.293 1.329 50 0 BDAARO CS[C@H]1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC000096441604 385168665 /nfs/dbraw/zinc/16/86/65/385168665.db2.gz VVYCXIICIBWBDS-MNOVXSKESA-N 1 0 233.377 1.211 50 0 BDAARO CC[NH+](CC)CC(=O)N[C@H]1CCCC[C@H]1OC ZINC000096441004 385170627 /nfs/dbraw/zinc/17/06/27/385170627.db2.gz FBUCHYCIFQWLAA-NWDGAFQWSA-N 1 0 242.363 1.402 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCO2 ZINC000063110791 385208799 /nfs/dbraw/zinc/20/87/99/385208799.db2.gz SSTKSZCFMRRXBA-UHFFFAOYSA-N 1 0 242.319 1.333 50 0 BDAARO C[NH+](C)C1CN(c2ccc(C(F)(F)F)nn2)C1 ZINC000096492841 385228191 /nfs/dbraw/zinc/22/81/91/385228191.db2.gz XNRBHYXCWWCDEY-UHFFFAOYSA-N 1 0 246.236 1.246 50 0 BDAARO CC(C)c1cccc2c1OCC[C@@H]([NH3+])[C@H]2O ZINC000062610701 385244903 /nfs/dbraw/zinc/24/49/03/385244903.db2.gz HWSLSDIQOFADNF-NEPJUHHUSA-N 1 0 221.300 1.953 50 0 BDAARO C[C@@H](C[N@H+](C)Cc1ccccn1)N1CCOCC1 ZINC000065371163 385303270 /nfs/dbraw/zinc/30/32/70/385303270.db2.gz VLPVOSUGLKLIMK-ZDUSSCGKSA-N 1 0 249.358 1.234 50 0 BDAARO CC[NH+](CC)[C@@H](Cn1cnnc1)c1ccco1 ZINC000065383318 385304554 /nfs/dbraw/zinc/30/45/54/385304554.db2.gz VMQUBQMYZLQFMQ-NSHDSACASA-N 1 0 234.303 1.954 50 0 BDAARO CC[C@H]([NH2+]C(CO)CO)c1ccc(F)cc1 ZINC000065466529 385315053 /nfs/dbraw/zinc/31/50/53/385315053.db2.gz NOEFPSHYXVVJQS-LBPRGKRZSA-N 1 0 227.279 1.220 50 0 BDAARO C[C@@H](C[N@H+](C)Cc1ccccc1)N1CCOCC1 ZINC000065536744 385321928 /nfs/dbraw/zinc/32/19/28/385321928.db2.gz BLQQJOACCFWREK-AWEZNQCLSA-N 1 0 248.370 1.839 50 0 BDAARO C[NH+](C)CCCOC(=O)c1cccnc1Cl ZINC000002471191 385282674 /nfs/dbraw/zinc/28/26/74/385282674.db2.gz WQUDHOXOWBNHEG-UHFFFAOYSA-N 1 0 242.706 1.844 50 0 BDAARO Cc1ccc(OCC[NH2+]CCO)c(Cl)c1 ZINC000002933101 385285144 /nfs/dbraw/zinc/28/51/44/385285144.db2.gz MEOZKCMDSJHNER-UHFFFAOYSA-N 1 0 229.707 1.609 50 0 BDAARO CCCc1nc(C)c(C[NH2+][C@@H](C)CO)s1 ZINC000065532747 385323283 /nfs/dbraw/zinc/32/32/83/385323283.db2.gz HLOOLNGUDSNXMK-QMMMGPOBSA-N 1 0 228.361 1.874 50 0 BDAARO CCC[C@H]([NH2+]C)C(=O)c1ccc2c(c1)OCO2 ZINC000064859566 385290711 /nfs/dbraw/zinc/29/07/11/385290711.db2.gz DFMLULIEUUXXSA-JTQLQIEISA-N 1 0 235.283 1.986 50 0 in-vitro BDAARO CN(C)CC[NH2+]CCOc1ccccc1 ZINC000020418774 385466147 /nfs/dbraw/zinc/46/61/47/385466147.db2.gz XPKHSWAQHQHPRQ-UHFFFAOYSA-N 1 0 208.305 1.217 50 0 BDAARO C[C@H]([NH2+]C1CC1)C(=O)N1CCCCCC1 ZINC000020315338 385460307 /nfs/dbraw/zinc/46/03/07/385460307.db2.gz UJINLSYBFFPJRI-JTQLQIEISA-N 1 0 210.321 1.530 50 0 BDAARO Cc1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)nn1 ZINC000584906751 385463863 /nfs/dbraw/zinc/46/38/63/385463863.db2.gz DXLJRTHIZWWCBU-LBPRGKRZSA-N 1 0 234.347 1.563 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1Oc2ccccc2OC1(C)C ZINC000005723087 385632179 /nfs/dbraw/zinc/63/21/79/385632179.db2.gz IQXOOOASMXLSJR-KCJUWKMLSA-N 1 0 207.273 1.952 50 0 BDAARO CO[C@@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159728012 385727318 /nfs/dbraw/zinc/72/73/18/385727318.db2.gz MEGDLMMISJQQJU-NSHDSACASA-N 1 0 242.363 1.450 50 0 BDAARO CCO[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1O ZINC000218863224 385910574 /nfs/dbraw/zinc/91/05/74/385910574.db2.gz MJHKGEGMEOACGK-GJZGRUSLSA-N 1 0 247.338 1.235 50 0 BDAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCCO1 ZINC000219340955 385926581 /nfs/dbraw/zinc/92/65/81/385926581.db2.gz IKLKEABMVKRUKY-LBPRGKRZSA-N 1 0 249.314 1.097 50 0 BDAARO Cc1cc(F)ccc1NC(=O)C1(C)C[NH2+]C1 ZINC000335022640 385982420 /nfs/dbraw/zinc/98/24/20/385982420.db2.gz FXAWRUYEMCWXQG-UHFFFAOYSA-N 1 0 222.263 1.682 50 0 BDAARO COC[C@@H](C)NC(=O)C[NH+]1CCCCCC1 ZINC000058049904 385945569 /nfs/dbraw/zinc/94/55/69/385945569.db2.gz GZNBILGRNJCJLF-LLVKDONJSA-N 1 0 228.336 1.014 50 0 BDAARO CC(C)c1ncncc1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000262507409 386163567 /nfs/dbraw/zinc/16/35/67/386163567.db2.gz IWBJWQPKDXQLEX-SNVBAGLBSA-N 1 0 248.330 1.163 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000132609527 386246302 /nfs/dbraw/zinc/24/63/02/386246302.db2.gz CQCHPPQTOYLZOV-JTQLQIEISA-N 1 0 237.303 1.115 50 0 BDAARO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000044934333 386338324 /nfs/dbraw/zinc/33/83/24/386338324.db2.gz QGMAFMLHFRLESF-SNVBAGLBSA-N 1 0 249.314 1.197 50 0 BDAARO O=C1NCCCCCC[NH2+][C@@H]2CCC[C@@H]12 ZINC000521398691 386421602 /nfs/dbraw/zinc/42/16/02/386421602.db2.gz BMWVYXFGEQCOFA-GHMZBOCLSA-N 1 0 210.321 1.435 50 0 BDAARO COc1ccc(O[C@H]2C[C@H]([NH3+])C2)c(F)c1 ZINC000242495955 386544864 /nfs/dbraw/zinc/54/48/64/386544864.db2.gz GUTXQXFWPLYBEM-XWEPSHTISA-N 1 0 211.236 1.703 50 0 BDAARO [NH3+][C@@H]1CCc2nc(Br)sc2C1 ZINC000095830917 386551147 /nfs/dbraw/zinc/55/11/47/386551147.db2.gz BKZWJPJKNKMPQJ-SCSAIBSYSA-N 1 0 233.134 1.722 50 0 BDAARO c1ccc(CNC2CC[NH+](C3CC3)CC2)nc1 ZINC000035054367 386563028 /nfs/dbraw/zinc/56/30/28/386563028.db2.gz HNRHJZGGVSIBPJ-UHFFFAOYSA-N 1 0 231.343 1.798 50 0 BDAARO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1F ZINC000063058171 386664808 /nfs/dbraw/zinc/66/48/08/386664808.db2.gz QTVQYBMPRIFOET-SNVBAGLBSA-N 1 0 222.263 1.307 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019409875 386777997 /nfs/dbraw/zinc/77/79/97/386777997.db2.gz NCQGMKPOEJHWRJ-DGCLKSJQSA-N 1 0 244.338 1.964 50 0 BDAARO C[C@@H]([NH2+]C1CCCCC1)C(=O)N1CCOCC1 ZINC000034936738 386783229 /nfs/dbraw/zinc/78/32/29/386783229.db2.gz CLTIUQUOYMQJCQ-LLVKDONJSA-N 1 0 240.347 1.156 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000185125072 386995516 /nfs/dbraw/zinc/99/55/16/386995516.db2.gz JIGUSZOSIJAUIY-XQQFMLRXSA-N 1 0 245.326 1.199 50 0 BDAARO COC(=O)c1cnc([C@H]2CCC[NH2+]C2)s1 ZINC000260701213 387041580 /nfs/dbraw/zinc/04/15/80/387041580.db2.gz LAZIBZCSVCKQBN-ZETCQYMHSA-N 1 0 226.301 1.397 50 0 BDAARO CCn1nncc1C[NH2+]C1CCCCC1 ZINC000417841892 387059215 /nfs/dbraw/zinc/05/92/15/387059215.db2.gz PLAHWUNNLFXMOW-UHFFFAOYSA-N 1 0 208.309 1.720 50 0 BDAARO O=C(OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000536953727 387166508 /nfs/dbraw/zinc/16/65/08/387166508.db2.gz IXKNBHNXOFTTOZ-UHFFFAOYSA-N 1 0 211.183 1.092 50 0 BDAARO CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000515008 322809708 /nfs/dbraw/zinc/80/97/08/322809708.db2.gz YMFWTPXLIWJORK-UHFFFAOYSA-N 1 0 247.342 1.787 50 0 BDAARO Cc1cnn(CC[NH2+]Cc2ccco2)c1 ZINC000053534670 387172952 /nfs/dbraw/zinc/17/29/52/387172952.db2.gz ILIYZDSBRDNUHS-UHFFFAOYSA-N 1 0 205.261 1.574 50 0 BDAARO C[C@H](C[S@@](C)=O)[N@H+](C)[C@@H](C)C1CCC1 ZINC000192639280 387229549 /nfs/dbraw/zinc/22/95/49/387229549.db2.gz PHQUCYWFAKTPFT-ISTVAULSSA-N 1 0 217.378 1.874 50 0 BDAARO c1cncc(COCC2CC[NH2+]CC2)c1 ZINC000036294254 387247420 /nfs/dbraw/zinc/24/74/20/387247420.db2.gz QQNFGWKLTVRLAE-UHFFFAOYSA-N 1 0 206.289 1.598 50 0 BDAARO CC(C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000069792141 387265687 /nfs/dbraw/zinc/26/56/87/387265687.db2.gz MDALMXIVFNUJPO-LLVKDONJSA-N 1 0 224.348 1.538 50 0 BDAARO CCCN(CC1CC1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000123624423 387305348 /nfs/dbraw/zinc/30/53/48/387305348.db2.gz FWTSABBCFXTPKW-LBPRGKRZSA-N 1 0 224.348 1.762 50 0 BDAARO CC[NH+](CC)CCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000191546396 387487171 /nfs/dbraw/zinc/48/71/71/387487171.db2.gz BFFKLVCATGLHKG-AWEZNQCLSA-N 1 0 240.391 1.831 50 0 BDAARO Cc1cccc(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000149144873 387649240 /nfs/dbraw/zinc/64/92/40/387649240.db2.gz SGLQIWIMTNCNLG-UHFFFAOYSA-N 1 0 237.343 1.418 50 0 BDAARO C[NH+](C)CCCNC[C@H]1OCCc2ccccc21 ZINC000001782882 387780422 /nfs/dbraw/zinc/78/04/22/387780422.db2.gz GKNOBYQJWCVNOG-OAHLLOKOSA-N 1 0 248.370 1.842 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1cccc2c1OCCO2 ZINC000036168204 387813077 /nfs/dbraw/zinc/81/30/77/387813077.db2.gz WCXPTVZOHIUYCN-NSHDSACASA-N 1 0 237.299 1.318 50 0 BDAARO C(OC[C@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC000257192337 387864320 /nfs/dbraw/zinc/86/43/20/387864320.db2.gz TZCMSMVHYXBMFA-GFCCVEGCSA-N 1 0 225.332 1.429 50 0 BDAARO Cc1cc(C)c(CCNC(N)=[NH2+])c(C)c1 ZINC000058326639 177857272 /nfs/dbraw/zinc/85/72/72/177857272.db2.gz USRIYBSTZSIUHQ-UHFFFAOYSA-N 1 0 205.305 1.637 50 0 BDAARO CC(C)CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000065516518 388072046 /nfs/dbraw/zinc/07/20/46/388072046.db2.gz JJLLLFJQXKQHLJ-LBPRGKRZSA-N 1 0 226.364 1.975 50 0 BDAARO COC[C@@H](C)NC(=O)C[NH+]1CCCCCCC1 ZINC000065550941 388085170 /nfs/dbraw/zinc/08/51/70/388085170.db2.gz GQWLFRZVZWTZOZ-GFCCVEGCSA-N 1 0 242.363 1.404 50 0 BDAARO CC[N@H+](CCC(=O)OC)Cc1ccco1 ZINC000042337997 388087146 /nfs/dbraw/zinc/08/71/46/388087146.db2.gz LETMJYXQNLNXNP-UHFFFAOYSA-N 1 0 211.261 1.665 50 0 BDAARO CN1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085631465 388093226 /nfs/dbraw/zinc/09/32/26/388093226.db2.gz PRBOWUVBAUMWGV-UPJWGTAASA-N 1 0 238.375 1.484 50 0 BDAARO CC/C=C(\C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000042506321 388096439 /nfs/dbraw/zinc/09/64/39/388096439.db2.gz BYWSGQIFCQSQOX-YTRUQHMWSA-N 1 0 224.348 1.943 50 0 BDAARO C[C@H](CNC(=O)c1ccc2cc[nH]c2c1)[NH+](C)C ZINC000065587261 388098213 /nfs/dbraw/zinc/09/82/13/388098213.db2.gz UICXOHDIKBNRCQ-SNVBAGLBSA-N 1 0 245.326 1.848 50 0 BDAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCC1 ZINC000065610847 388150508 /nfs/dbraw/zinc/15/05/08/388150508.db2.gz SBHTZQALICIJJA-GFCCVEGCSA-N 1 0 226.364 1.879 50 0 BDAARO C([C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1)N1CCCC1 ZINC000170623263 388261128 /nfs/dbraw/zinc/26/11/28/388261128.db2.gz AKKCFUTZPKSJLU-KBPBESRZSA-N 1 0 238.375 1.583 50 0 BDAARO C([C@H]1CCC[N@@H+]1C[C@@H]1CCOC1)N1CCCC1 ZINC000170623264 388261140 /nfs/dbraw/zinc/26/11/40/388261140.db2.gz AKKCFUTZPKSJLU-UONOGXRCSA-N 1 0 238.375 1.583 50 0 BDAARO C[C@]1(CCn2cccn2)[NH2+]CCc2nc[nH]c21 ZINC000065375589 388259948 /nfs/dbraw/zinc/25/99/48/388259948.db2.gz MXKDAYYQYVPSDG-GFCCVEGCSA-N 1 0 231.303 1.057 50 0 BDAARO Cc1cc(C)c(CN2CCO[C@H](C[NH3+])C2)cc1C ZINC000065397389 388276430 /nfs/dbraw/zinc/27/64/30/388276430.db2.gz YYFLMDNMQBCXNK-OAHLLOKOSA-N 1 0 248.370 1.771 50 0 BDAARO C(C1CC1)N1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000089598168 388352963 /nfs/dbraw/zinc/35/29/63/388352963.db2.gz DVZFSOAQQXQEBW-CYBMUJFWSA-N 1 0 224.348 1.239 50 0 BDAARO Cc1ccnc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000089701911 388362319 /nfs/dbraw/zinc/36/23/19/388362319.db2.gz KFZXUQOAMHIKAQ-OLZOCXBDSA-N 1 0 246.358 1.706 50 0 BDAARO CC(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132903019 388371303 /nfs/dbraw/zinc/37/13/03/388371303.db2.gz DSGFFMSZHKIVFL-MNOVXSKESA-N 1 0 210.321 1.385 50 0 BDAARO CCS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)NC)C1 ZINC000076068623 388373676 /nfs/dbraw/zinc/37/36/76/388373676.db2.gz PEXDFCMYLLTSLE-WDEREUQCSA-N 1 0 244.404 1.729 50 0 BDAARO Cc1ccccc1CC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000037539558 388454650 /nfs/dbraw/zinc/45/46/50/388454650.db2.gz DETWFVHEBHICRF-ZDUSSCGKSA-N 1 0 232.327 1.358 50 0 BDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069463753 388416442 /nfs/dbraw/zinc/41/64/42/388416442.db2.gz GUIYQEAUQYMLOD-WDEREUQCSA-N 1 0 233.319 1.654 50 0 BDAARO c1cc(C[NH2+][C@H]2CCc3ncnn3C2)cs1 ZINC000069571201 388420851 /nfs/dbraw/zinc/42/08/51/388420851.db2.gz HRKOACDLFZIZOR-JTQLQIEISA-N 1 0 234.328 1.444 50 0 BDAARO CCCC[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069655024 388423131 /nfs/dbraw/zinc/42/31/31/388423131.db2.gz STUBZBKJHGJCRN-NSHDSACASA-N 1 0 208.309 1.543 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)CCc1ccsc1 ZINC000195542906 388479565 /nfs/dbraw/zinc/47/95/65/388479565.db2.gz KEZTVYGQYRZDON-VIFPVBQESA-N 1 0 226.345 1.486 50 0 BDAARO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000130706392 388538788 /nfs/dbraw/zinc/53/87/88/388538788.db2.gz NDZWONANOCUKIM-SNVBAGLBSA-N 1 0 211.280 1.947 50 0 BDAARO CC(=O)NC1C[NH+](C[C@H]2C(C)=CCC[C@H]2C)C1 ZINC000253430284 388592795 /nfs/dbraw/zinc/59/27/95/388592795.db2.gz KMAVLBBZELBFIT-RISCZKNCSA-N 1 0 236.359 1.799 50 0 BDAARO Cc1[nH]ccc1C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000237523620 388595916 /nfs/dbraw/zinc/59/59/16/388595916.db2.gz CNPYCQVNYIKWNX-BXKDBHETSA-N 1 0 235.331 1.523 50 0 BDAARO COC[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000108115501 388612699 /nfs/dbraw/zinc/61/26/99/388612699.db2.gz LLJQEETWRSFNIQ-ZKYQVNSYSA-N 1 0 235.327 1.517 50 0 BDAARO C[NH+]1CCC(C(=O)c2cccc(N)n2)CC1 ZINC000091302251 388613524 /nfs/dbraw/zinc/61/35/24/388613524.db2.gz YLTJVIIEHKBRPA-UHFFFAOYSA-N 1 0 219.288 1.188 50 0 BDAARO C[NH+](C)CCCNC(=O)c1cccc2cc[nH]c21 ZINC000001886979 388573052 /nfs/dbraw/zinc/57/30/52/388573052.db2.gz GPWBHKHORMFQPT-UHFFFAOYSA-N 1 0 245.326 1.849 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000008699282 388670195 /nfs/dbraw/zinc/67/01/95/388670195.db2.gz YFQZRSSPZDVWSK-NEPJUHHUSA-N 1 0 235.283 1.171 50 0 BDAARO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000078821916 388740542 /nfs/dbraw/zinc/74/05/42/388740542.db2.gz ZNQGGPXIPHFCBJ-LLVKDONJSA-N 1 0 212.337 1.587 50 0 BDAARO CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000089929964 388742346 /nfs/dbraw/zinc/74/23/46/388742346.db2.gz HKQHAESPQHGZSS-CQSZACIVSA-N 1 0 238.375 1.977 50 0 BDAARO CCc1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000225462983 388709041 /nfs/dbraw/zinc/70/90/41/388709041.db2.gz YYUIHEUUAIQBNR-ZIAGYGMSSA-N 1 0 235.327 1.177 50 0 BDAARO C[C@@H]1c2c(F)cccc2CCN1C(=O)C[NH3+] ZINC000225464184 388709401 /nfs/dbraw/zinc/70/94/01/388709401.db2.gz HNTLSOWTKCODJG-MRVPVSSYSA-N 1 0 222.263 1.230 50 0 BDAARO CCOC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311004 388721355 /nfs/dbraw/zinc/72/13/55/388721355.db2.gz MCOUFMSJEJHYRP-NSHDSACASA-N 1 0 241.331 1.441 50 0 BDAARO COC[C@H](O)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000225502103 388723854 /nfs/dbraw/zinc/72/38/54/388723854.db2.gz IRKIKPJXMCVJPI-TUAOUCFPSA-N 1 0 229.364 1.798 50 0 BDAARO CN(C)CC[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000021149446 388797815 /nfs/dbraw/zinc/79/78/15/388797815.db2.gz DHCDJPNRPKXFHT-LLVKDONJSA-N 1 0 214.353 1.343 50 0 BDAARO Cn1cncc1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000298165446 388805495 /nfs/dbraw/zinc/80/54/95/388805495.db2.gz SXWVENNBAXJHRO-GFCCVEGCSA-N 1 0 225.311 1.787 50 0 BDAARO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccccn1 ZINC000095430937 388771769 /nfs/dbraw/zinc/77/17/69/388771769.db2.gz CARVJOMTSCBJIV-GFCCVEGCSA-N 1 0 222.332 1.968 50 0 BDAARO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cc[nH]n2)C1(C)C ZINC000095463497 388773827 /nfs/dbraw/zinc/77/38/27/388773827.db2.gz ZZDPUBQGSLYFJB-FBIMIBRVSA-N 1 0 223.320 1.559 50 0 BDAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000097236882 388835915 /nfs/dbraw/zinc/83/59/15/388835915.db2.gz VJXYYJQMSDWDSK-GHMZBOCLSA-N 1 0 209.289 1.872 50 0 BDAARO CC[N@@H+](CC(N)=O)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000225603204 388839853 /nfs/dbraw/zinc/83/98/53/388839853.db2.gz ITCUOPUXRWXGAD-NWDGAFQWSA-N 1 0 224.348 1.786 50 0 BDAARO CC(C)(C)[C@@H](CO)[NH2+]Cc1cncs1 ZINC000194633540 388852811 /nfs/dbraw/zinc/85/28/11/388852811.db2.gz QRRBYCJGTADCSO-SECBINFHSA-N 1 0 214.334 1.640 50 0 BDAARO C[C@H]1c2c(F)cccc2CCN1C(=O)CC[NH3+] ZINC000299753627 388846512 /nfs/dbraw/zinc/84/65/12/388846512.db2.gz YVQSFBASPKJLNT-VIFPVBQESA-N 1 0 236.290 1.620 50 0 BDAARO c1cc2c(cccc2N2CC[NH2+]CC2)[nH]1 ZINC000004639456 132316625 /nfs/dbraw/zinc/31/66/25/132316625.db2.gz YZKSXUIOKWQABW-UHFFFAOYSA-N 1 0 201.273 1.578 50 0 in-vivo BDAARO CC(C)[NH+]1CCN(c2ccccc2O)CC1 ZINC000012537775 132321252 /nfs/dbraw/zinc/32/12/52/132321252.db2.gz HOMIQJIHTCVJJX-UHFFFAOYSA-N 1 0 220.316 1.923 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCCc2ccccc21 ZINC000019410202 132324559 /nfs/dbraw/zinc/32/45/59/132324559.db2.gz KMPFQBBADVGIHR-GFCCVEGCSA-N 1 0 230.311 1.718 50 0 BDAARO C[C@@H]([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000019277867 132324705 /nfs/dbraw/zinc/32/47/05/132324705.db2.gz LCLHNYGLGZONQC-GFCCVEGCSA-N 1 0 219.332 1.156 50 0 BDAARO Cc1c[nH]c2ncnc(N3CC[NH2+][C@@H](C)C3)c12 ZINC000142961030 132441917 /nfs/dbraw/zinc/44/19/17/132441917.db2.gz BUCDLBVNVQNEAO-VIFPVBQESA-N 1 0 231.303 1.064 50 0 BDAARO CC1(C)[C@H]([NH2+]C2CCC(O)CC2)[C@@H]2CCO[C@H]21 ZINC000227061279 134374370 /nfs/dbraw/zinc/37/43/70/134374370.db2.gz TVXCGIPTSKSCQM-FQLQODGNSA-N 1 0 239.359 1.693 50 0 BDAARO Cc1occc1C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000261530500 135158524 /nfs/dbraw/zinc/15/85/24/135158524.db2.gz FKMFLAKIYKYGJI-SNVBAGLBSA-N 1 0 224.304 1.691 50 0 BDAARO CC(C)(O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261748241 135249745 /nfs/dbraw/zinc/24/97/45/135249745.db2.gz NBYSHFNUXBXPQN-KGLIPLIRSA-N 1 0 248.370 1.432 50 0 BDAARO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)[C@@H]1C[C@H]1C1CC1 ZINC000527710446 398002528 /nfs/dbraw/zinc/00/25/28/398002528.db2.gz BQVBZPJVKGBAAB-SWTDPAGASA-N 1 0 239.359 1.551 50 0 BDAARO C[NH+](C)Cc1cncc(Br)c1 ZINC000038212804 397983364 /nfs/dbraw/zinc/98/33/64/397983364.db2.gz KYVVKZWZFMYZEB-UHFFFAOYSA-N 1 0 215.094 1.906 50 0 BDAARO CC(C)OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C ZINC000089887795 167268925 /nfs/dbraw/zinc/26/89/25/167268925.db2.gz VREVIQZMKZVJKW-GHMZBOCLSA-N 1 0 217.353 1.797 50 0 BDAARO C[C@H](C[NH3+])N(C)Cc1c[nH]nc1C(C)(C)C ZINC000097095608 410053513 /nfs/dbraw/zinc/05/35/13/410053513.db2.gz WSRNIYBNQDPGSV-SECBINFHSA-N 1 0 224.352 1.486 50 0 BDAARO CC(C)C[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000002884745 167011839 /nfs/dbraw/zinc/01/18/39/167011839.db2.gz YPRWJIPUSBMUFP-GFCCVEGCSA-N 1 0 246.310 1.564 50 0 BDAARO CC(C)CNc1ncnc2c1cnn2C ZINC000001577348 167018491 /nfs/dbraw/zinc/01/84/91/167018491.db2.gz MEBHIPFIIIVWHL-UHFFFAOYSA-N 1 0 205.265 1.431 50 0 BDAARO CC(C)Nc1ncccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000236756907 167151890 /nfs/dbraw/zinc/15/18/90/167151890.db2.gz HLCQQTJJDYOOIZ-SNVBAGLBSA-N 1 0 248.330 1.075 50 0 BDAARO CC(C)OC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000000465828 167269522 /nfs/dbraw/zinc/26/95/22/167269522.db2.gz YRLBHTVMZKMQJZ-OAHLLOKOSA-N 1 0 249.354 1.831 50 0 BDAARO CC(C)Oc1ccc([C@@H](C[NH3+])CC(N)=O)cc1 ZINC000000518358 167298575 /nfs/dbraw/zinc/29/85/75/167298575.db2.gz FECWMCGBKDFAHF-LLVKDONJSA-N 1 0 236.315 1.392 50 0 biogenic BDAARO CC(C)CNC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000044898286 411141946 /nfs/dbraw/zinc/14/19/46/411141946.db2.gz BNRPDVUBNJUQDX-UHFFFAOYSA-N 1 0 226.364 1.879 50 0 BDAARO Cc1ncccc1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000108478204 411144594 /nfs/dbraw/zinc/14/45/94/411144594.db2.gz QXCIIZPYKHRBNN-GXTWGEPZSA-N 1 0 234.343 1.983 50 0 BDAARO CC(C)(C)NC(=O)NCC1([NH3+])CCCC1 ZINC000656473626 411277181 /nfs/dbraw/zinc/27/71/81/411277181.db2.gz GKJVMUMCXGTWSH-UHFFFAOYSA-N 1 0 213.325 1.356 50 0 BDAARO CC(C)(C)OC(=O)N1CC(C)(C[NH3+])C1 ZINC000083295395 168023361 /nfs/dbraw/zinc/02/33/61/168023361.db2.gz NUSZXESXGDKVCH-UHFFFAOYSA-N 1 0 200.282 1.202 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(C)(C[NH3+])CC1 ZINC000049587209 168024875 /nfs/dbraw/zinc/02/48/75/168024875.db2.gz VMTNDQIIDCSDOU-UHFFFAOYSA-N 1 0 228.336 1.982 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1nncn1C ZINC000133987051 168103805 /nfs/dbraw/zinc/10/38/05/168103805.db2.gz RNVYGBHACZKEJR-NWDGAFQWSA-N 1 0 234.347 1.897 50 0 BDAARO CC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000019470672 168175726 /nfs/dbraw/zinc/17/57/26/168175726.db2.gz YOZPQRQVVMJXJP-CQSZACIVSA-N 1 0 246.354 1.815 50 0 BDAARO CCC(=O)NCc1ccnc(N(C)C)c1 ZINC000036393483 168233725 /nfs/dbraw/zinc/23/37/25/168233725.db2.gz ACMMDUWFBCRISS-UHFFFAOYSA-N 1 0 207.277 1.174 50 0 BDAARO CCN1CCO[C@H](C[NH2+]Cc2cccnc2C)C1 ZINC000069658757 170006247 /nfs/dbraw/zinc/00/62/47/170006247.db2.gz JWZDATXGZRCYDU-CQSZACIVSA-N 1 0 249.358 1.200 50 0 BDAARO CCNC(=O)C[N@H+](CC)CCc1ccccc1 ZINC000049971271 170056307 /nfs/dbraw/zinc/05/63/07/170056307.db2.gz OQZFQEFKMKNHDT-UHFFFAOYSA-N 1 0 234.343 1.687 50 0 BDAARO CC[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000013683194 170131172 /nfs/dbraw/zinc/13/11/72/170131172.db2.gz KWJMYQSOZZPHLB-UHFFFAOYSA-N 1 0 237.690 1.686 50 0 BDAARO CCOC(=O)CC[N@H+](C)[C@H]1C=CCCC1 ZINC000071904878 170204411 /nfs/dbraw/zinc/20/44/11/170204411.db2.gz OFLVHNQBFWMPAG-NSHDSACASA-N 1 0 211.305 1.980 50 0 BDAARO CCOC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000051952204 170219632 /nfs/dbraw/zinc/21/96/32/170219632.db2.gz BOMHYBMUMMUGQF-UHFFFAOYSA-N 1 0 240.347 1.110 50 0 BDAARO CCOC(=O)[C@@H](C[NH2+]C)Cc1ccc(C)cc1 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174047361 /nfs/dbraw/zinc/04/73/61/174047361.db2.gz UFUPCWIAIUXTPP-UHFFFAOYSA-N 1 0 240.347 1.180 50 0 BDAARO COCCCCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000095440465 174171418 /nfs/dbraw/zinc/17/14/18/174171418.db2.gz NFQLFRGXBWBSPX-VXGBXAGGSA-N 1 0 242.363 1.354 50 0 BDAARO COCCCNC(=O)[C@H](C)[NH2+]C1CCCC1 ZINC000034938751 174244296 /nfs/dbraw/zinc/24/42/96/174244296.db2.gz JMUYJJYISVPCCT-JTQLQIEISA-N 1 0 228.336 1.060 50 0 BDAARO COCCC[NH2+]CCc1ccc(OC)cc1 ZINC000037495811 174247595 /nfs/dbraw/zinc/24/75/95/174247595.db2.gz RAGCLSQXQBQFRG-UHFFFAOYSA-N 1 0 223.316 1.864 50 0 BDAARO COCCC[NH2+]Cc1cnc(Cl)s1 ZINC000004042577 174247936 /nfs/dbraw/zinc/24/79/36/174247936.db2.gz QYGYMOADXHJIFL-UHFFFAOYSA-N 1 0 220.725 1.923 50 0 BDAARO COCCCOC(=O)c1ccc2c[nH+]cn2c1C ZINC000095467988 174253322 /nfs/dbraw/zinc/25/33/22/174253322.db2.gz KIOAMVIRYBUVSO-UHFFFAOYSA-N 1 0 248.282 1.836 50 0 BDAARO COCCN(CC(C)C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091539421 174287257 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ZINC000493519106 226237646 /nfs/dbraw/zinc/23/76/46/226237646.db2.gz OSFUMZCKONBVST-RXNFCKPNSA-N 1 0 234.274 1.399 50 0 BDAARO CCCN(CC1CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000123624668 262791166 /nfs/dbraw/zinc/79/11/66/262791166.db2.gz FWTSABBCFXTPKW-GFCCVEGCSA-N 1 0 224.348 1.762 50 0 BDAARO Nc1c2ccccc2[nH+]c2c1COCC2 ZINC000000024965 487847549 /nfs/dbraw/zinc/84/75/49/487847549.db2.gz KMFVOFDZYJJARK-UHFFFAOYSA-N 1 0 200.241 1.890 50 0 BDAARO CCCc1cnc(N2CC[C@H](C[NH3+])C2)nc1 ZINC000259411519 323172491 /nfs/dbraw/zinc/17/24/91/323172491.db2.gz WEILSDAOFMZORZ-SNVBAGLBSA-N 1 0 220.320 1.214 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1cc(F)ccc1F ZINC000037228293 323235837 /nfs/dbraw/zinc/23/58/37/323235837.db2.gz SMUTVZQENNXIKA-SNVBAGLBSA-N 1 0 229.226 1.918 50 0 BDAARO [NH3+][C@@H]1CCN(Cc2cccc(F)c2F)C1=O ZINC000084942360 323237346 /nfs/dbraw/zinc/23/73/46/323237346.db2.gz FLXOUOWGUXWXOY-SECBINFHSA-N 1 0 226.226 1.024 50 0 BDAARO COCCOc1cccc2c1CC[NH2+]C2 ZINC000165309225 323944840 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/nfs/dbraw/zinc/32/69/99/490326999.db2.gz XRFGVGPSSBMILT-JTQLQIEISA-N 1 0 241.298 1.198 50 0 BDAARO CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COC)C1(C)C ZINC000127042956 491132128 /nfs/dbraw/zinc/13/21/28/491132128.db2.gz OSTWVPVNCLPQQW-GRYCIOLGSA-N 1 0 245.363 1.129 50 0 BDAARO C/C=C/C=C\C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000252512786 518515862 /nfs/dbraw/zinc/51/58/62/518515862.db2.gz VOZHTLGDLGETLF-JFUWTOPDSA-N 1 0 234.343 1.814 50 0 BDAARO CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H]2C[C@H]2C)C1 ZINC000253369272 519625162 /nfs/dbraw/zinc/62/51/62/519625162.db2.gz ANHIYMXWLVCGTF-RAIGVLPGSA-N 1 0 224.348 1.443 50 0 BDAARO CC(C)OC[C@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000253417241 519773755 /nfs/dbraw/zinc/77/37/55/519773755.db2.gz SBKSKEFBFOQANW-CYBMUJFWSA-N 1 0 227.348 1.504 50 0 BDAARO CCC[C@@]12C[NH2+]C[C@@](CCC)(CN(C)C1)[C@@H]2O ZINC000253620613 520967829 /nfs/dbraw/zinc/96/78/29/520967829.db2.gz CERUTFUONTYINA-ZSOGYDGISA-N 1 0 240.391 1.469 50 0 BDAARO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCOC ZINC000253416685 521738894 /nfs/dbraw/zinc/73/88/94/521738894.db2.gz UPGWUZFXFNGWBN-NSHDSACASA-N 1 0 228.336 1.014 50 0 BDAARO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCOC ZINC000253416683 521738953 /nfs/dbraw/zinc/73/89/53/521738953.db2.gz UPGWUZFXFNGWBN-LLVKDONJSA-N 1 0 228.336 1.014 50 0 BDAARO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CN2CCN1CC2 ZINC000241795453 521819108 /nfs/dbraw/zinc/81/91/08/521819108.db2.gz RZIAIXBWOVJRFH-XQQFMLRXSA-N 1 0 225.380 1.010 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1cccnc1 ZINC000493601101 534679894 /nfs/dbraw/zinc/67/98/94/534679894.db2.gz ZHSITTGUFHMRJA-FWWRYZNZSA-N 1 0 245.326 1.435 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178584515 524150788 /nfs/dbraw/zinc/15/07/88/524150788.db2.gz ICPIWSLVADDXNP-VBROQKIQSA-N 1 0 244.338 1.815 50 0 BDAARO Cc1cc(C)c(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH]1 ZINC000153860181 524227033 /nfs/dbraw/zinc/22/70/33/524227033.db2.gz GRQUXFSLQHOKQY-QWRGUYRKSA-N 1 0 235.331 1.454 50 0 BDAARO C[C@H](C[NH3+])CC(=O)NCc1cccc(F)c1 ZINC000087983136 524304913 /nfs/dbraw/zinc/30/49/13/524304913.db2.gz HTOUFSVRZRUOOQ-VIFPVBQESA-N 1 0 224.279 1.427 50 0 BDAARO C[C@H]1CN(C(=O)c2cncc(F)c2)C[C@H](C)[NH2+]1 ZINC000153427341 524549510 /nfs/dbraw/zinc/54/95/10/524549510.db2.gz MWXZRQPVYDLRDD-IUCAKERBSA-N 1 0 237.278 1.043 50 0 BDAARO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)[C@@H](C)CO1 ZINC000247974859 524976870 /nfs/dbraw/zinc/97/68/70/524976870.db2.gz USXZGNLJLFECDB-QJPTWQEYSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@]12C[NH2+]C[C@H]1COC(=O)N2Cc1ccccc1 ZINC000407947217 525352771 /nfs/dbraw/zinc/35/27/71/525352771.db2.gz DBECMDFGGFMQBP-JSGCOSHPSA-N 1 0 246.310 1.617 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cnc(C)cn2)c1 ZINC000069534865 526264228 /nfs/dbraw/zinc/26/42/28/526264228.db2.gz PFPPONFDQBSOOV-GFCCVEGCSA-N 1 0 245.330 1.468 50 0 BDAARO c1ncn(C2CCCCC2)c1CN1CC[NH2+]CC1 ZINC000243901789 526614644 /nfs/dbraw/zinc/61/46/44/526614644.db2.gz BDZHQFYIABHRTN-UHFFFAOYSA-N 1 0 248.374 1.794 50 0 BDAARO [NH3+][C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 ZINC000070195845 527420636 /nfs/dbraw/zinc/42/06/36/527420636.db2.gz GKMDYWDXNPTOEE-QMMMGPOBSA-N 1 0 244.216 1.465 50 0 BDAARO CC[NH+]1CCN(c2cc(C)nc(C)n2)CC1 ZINC000012016458 535743409 /nfs/dbraw/zinc/74/34/09/535743409.db2.gz VYQODWFGEAOMAD-UHFFFAOYSA-N 1 0 220.320 1.235 50 0 BDAARO CCOC(=O)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC000020357980 535749495 /nfs/dbraw/zinc/74/94/95/535749495.db2.gz GJEGLLLELOJLLI-UHFFFAOYSA-N 1 0 248.326 1.202 50 0 BDAARO CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000032819291 535754523 /nfs/dbraw/zinc/75/45/23/535754523.db2.gz KJFNXDGCMIHQHY-UHFFFAOYSA-N 1 0 208.280 1.968 50 0 BDAARO c1cncc(-c2nc(CC[C@H]3CCC[NH2+]3)no2)c1 ZINC000096894980 537903864 /nfs/dbraw/zinc/90/38/64/537903864.db2.gz SJCHKUYZWOJWIU-LLVKDONJSA-N 1 0 244.298 1.816 50 0 BDAARO c1csc(-c2cnnn2[C@H]2CCC[NH2+]C2)n1 ZINC000685951969 566486783 /nfs/dbraw/zinc/48/67/83/566486783.db2.gz MYASXQCLSWHDMJ-QMMMGPOBSA-N 1 0 235.316 1.326 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@@H]([NH3+])C[C@H]1C ZINC000757209075 586438078 /nfs/dbraw/zinc/43/80/78/586438078.db2.gz FOMAYWCETVDHGL-OLUVUFQESA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)[C@H]([NH3+])CN1 ZINC000757213578 586439867 /nfs/dbraw/zinc/43/98/67/586439867.db2.gz PRHBPHJMLSRTCP-XWIASGKRSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)[C@H]([NH3+])CN1 ZINC000757213577 586439870 /nfs/dbraw/zinc/43/98/70/586439870.db2.gz PRHBPHJMLSRTCP-NDMJEZRESA-N 1 0 244.342 1.869 50 0 BDAARO C=CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000848979188 588423000 /nfs/dbraw/zinc/42/30/00/588423000.db2.gz OTGCNGHFGDIXSQ-UHFFFAOYSA-N 1 0 244.338 1.388 50 0 BDAARO C=CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000863971479 589330709 /nfs/dbraw/zinc/33/07/09/589330709.db2.gz VCGJISYCQXHBSO-JSGCOSHPSA-N 1 0 230.311 1.734 50 0 BDAARO Cc1ncsc1C[NH2+][C@H](C)C(C)(C)CO ZINC000863982522 589333418 /nfs/dbraw/zinc/33/34/18/589333418.db2.gz RJXVBBULCOMPTO-SECBINFHSA-N 1 0 228.361 1.948 50 0 BDAARO Cc1cccc2ncn([C@H]3CCC[NH2+]C3)c(=O)c12 ZINC000258018750 634545760 /nfs/dbraw/zinc/54/57/60/634545760.db2.gz BMXOTYFOIHDVTC-NSHDSACASA-N 1 0 243.310 1.629 50 0 BDAARO O=c1c2cccc(F)c2ncn1[C@H]1CCC[NH2+]C1 ZINC000258134582 634573040 /nfs/dbraw/zinc/57/30/40/634573040.db2.gz JFCYBJQUXUYDCZ-VIFPVBQESA-N 1 0 247.273 1.460 50 0 BDAARO CC(C)[C@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958527914 635551435 /nfs/dbraw/zinc/55/14/35/635551435.db2.gz IJXGHIMMSBJIJR-JTQLQIEISA-N 1 0 229.320 1.018 50 0 BDAARO CCCOc1ccc(CCNC(N)=[NH2+])cc1 ZINC000002950584 632000654 /nfs/dbraw/zinc/00/06/54/632000654.db2.gz OVDMXZIHYHWYRJ-UHFFFAOYSA-N 1 0 221.304 1.501 50 0 BDAARO FC(F)(F)[C@@H]1CC[C@@H](C2CC[NH2+]CC2)CN1 ZINC000309326226 632009149 /nfs/dbraw/zinc/00/91/49/632009149.db2.gz RJJCPNKPXDBUBE-ZJUUUORDSA-N 1 0 236.281 1.917 50 0 BDAARO Cc1ncccc1CSc1nnc(C[NH3+])n1C ZINC000310255955 632712332 /nfs/dbraw/zinc/71/23/32/632712332.db2.gz GRNNZQKUADZWFJ-UHFFFAOYSA-N 1 0 249.343 1.270 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)[C@H]1COc2ccccc2O1 ZINC000003683938 633075451 /nfs/dbraw/zinc/07/54/51/633075451.db2.gz OOTZYHQSEVRTER-ZWNOBZJWSA-N 1 0 237.299 1.185 50 0 BDAARO C[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCCC2 ZINC000049559543 643087603 /nfs/dbraw/zinc/08/76/03/643087603.db2.gz GMBGTFDTDWCMBQ-LURJTMIESA-N 1 0 225.317 1.308 50 0 BDAARO CC/C=C(\C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000082641476 643357725 /nfs/dbraw/zinc/35/77/25/643357725.db2.gz VNLCUFUENCTAFX-CDCCAWJDSA-N 1 0 210.321 1.683 50 0 BDAARO FC(F)(F)C1CC[NH+](CCn2ccnn2)CC1 ZINC000952993291 644452221 /nfs/dbraw/zinc/45/22/21/644452221.db2.gz MHMQQWNTJOLROV-UHFFFAOYSA-N 1 0 248.252 1.552 50 0 BDAARO C[C@@H]1SCC[C@@]1(O)[C@@H]([NH3+])C(C)(C)C ZINC000958527988 644806141 /nfs/dbraw/zinc/80/61/41/644806141.db2.gz KZGMCXVPYMRNCI-NRPADANISA-N 1 0 203.351 1.616 50 0 BDAARO Cc1ccccc1OCCCC[NH2+]CCO ZINC000023634304 711680129 /nfs/dbraw/zinc/68/01/29/711680129.db2.gz PUPPBAISDBZJIY-UHFFFAOYSA-N 1 0 223.316 1.736 50 0 BDAARO COC(=O)[C@H]1C[C@@H]([NH3+])CCC12CCCC2 ZINC000725360343 711663965 /nfs/dbraw/zinc/66/39/65/711663965.db2.gz SKBNSAKGJBVALW-VHSXEESVSA-N 1 0 211.305 1.847 50 0 BDAARO CCn1c2ccccc2[n+]2c1SC[C@@H](O)C2 ZINC000000439703 711936145 /nfs/dbraw/zinc/93/61/45/711936145.db2.gz NRJDTFXFXZOPIZ-VIFPVBQESA-N 1 0 235.332 1.415 50 0 BDAARO CN(C)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)ccn1 ZINC000828627088 712685505 /nfs/dbraw/zinc/68/55/05/712685505.db2.gz SPRCVGDRABNUQT-OLZOCXBDSA-N 1 0 249.358 1.541 50 0 BDAARO C[NH2+]C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000669371534 963860261 /nfs/dbraw/zinc/86/02/61/963860261.db2.gz DRDVXDYJLVNPKG-UHFFFAOYSA-N 1 0 244.335 1.280 50 0 BDAARO FC(F)(F)C1CC[NH+](CCn2nccn2)CC1 ZINC000825676987 980537612 /nfs/dbraw/zinc/53/76/12/980537612.db2.gz CXADAFZSGXZXGN-UHFFFAOYSA-N 1 0 248.252 1.552 50 0 BDAARO CSc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)o1 ZINC000585117670 972149432 /nfs/dbraw/zinc/14/94/32/972149432.db2.gz QQZHPZOMEIUDPD-MRVPVSSYSA-N 1 0 240.328 1.309 50 0 BDAARO CC(C)n1cnnc1CC[NH2+][C@@H]1CCCOC1 ZINC000822288472 968513876 /nfs/dbraw/zinc/51/38/76/968513876.db2.gz OITSDAHZAAHXQM-LLVKDONJSA-N 1 0 238.335 1.170 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CN1CCc2nc(C)[nH]c2C1 ZINC000823110184 968540264 /nfs/dbraw/zinc/54/02/64/968540264.db2.gz IDOLDFZDUKPLDI-LBPRGKRZSA-N 1 0 248.374 1.561 50 0 BDAARO [NH3+][C@H](CO)C(=O)NCCC1CCCCCCC1 ZINC000828793333 968812736 /nfs/dbraw/zinc/81/27/36/968812736.db2.gz FPNXGOCACCNRID-GFCCVEGCSA-N 1 0 242.363 1.173 50 0 BDAARO Cc1nccnc1OC[C@H]1CCC[N@H+]1C ZINC000585650786 973916956 /nfs/dbraw/zinc/91/69/56/973916956.db2.gz FJVAZHOFYSUARO-SNVBAGLBSA-N 1 0 207.277 1.258 50 0 BDAARO Cc1ccnc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])n1 ZINC000585651405 973917292 /nfs/dbraw/zinc/91/72/92/973917292.db2.gz LRMGFZCRYIHJCJ-QWHCGFSZSA-N 1 0 241.294 1.789 50 0 BDAARO Cc1ccc(OC[C@H]2CCC[N@H+]2C)nc1 ZINC000585655129 973926356 /nfs/dbraw/zinc/92/63/56/973926356.db2.gz SWLSMTJBGKRQOX-LLVKDONJSA-N 1 0 206.289 1.863 50 0 BDAARO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH3+])C2 ZINC000071373471 398148080 /nfs/dbraw/zinc/14/80/80/398148080.db2.gz JRZFZVWZIJNIEQ-HLTSFMKQSA-N 1 0 212.293 1.486 50 0 BDAARO C[NH+](C)CC[C@H]1CCCCN1Cc1ncc[nH]1 ZINC000072425302 398180769 /nfs/dbraw/zinc/18/07/69/398180769.db2.gz ITYXKAQHPIPOCR-GFCCVEGCSA-N 1 0 236.363 1.716 50 0 BDAARO Cc1c(C[N@@H+](C)CCOCC(C)C)cnn1C ZINC000241383115 398159986 /nfs/dbraw/zinc/15/99/86/398159986.db2.gz MSQDQEKPBLKNSA-UHFFFAOYSA-N 1 0 239.363 1.833 50 0 BDAARO CCC(CC)C(=O)NCCC[NH+](C)C ZINC000002749885 168337409 /nfs/dbraw/zinc/33/74/09/168337409.db2.gz VZQJGOBUBLVTNH-UHFFFAOYSA-N 1 0 200.326 1.491 50 0 BDAARO Cc1cc(N2CCC[N@@H+](C)CC2)nc(C)n1 ZINC000040497082 178114753 /nfs/dbraw/zinc/11/47/53/178114753.db2.gz VQDAZXXWKJEBTH-UHFFFAOYSA-N 1 0 220.320 1.235 50 0 BDAARO Cc1cc(NN)[nH+]c(Cc2ccccc2)n1 ZINC000000500673 178177646 /nfs/dbraw/zinc/17/76/46/178177646.db2.gz REBANYFVYSPEOR-UHFFFAOYSA-N 1 0 214.272 1.661 50 0 BDAARO COc1ccc(CNC2=[NH+]CCCCN2)cc1 ZINC000521396909 259304036 /nfs/dbraw/zinc/30/40/36/259304036.db2.gz CQWYTSZWRSPXDA-UHFFFAOYSA-N 1 0 233.315 1.524 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCF ZINC000521396584 259305700 /nfs/dbraw/zinc/30/57/00/259305700.db2.gz WCRZQVAJPHDJPD-VIFPVBQESA-N 1 0 205.273 1.510 50 0 BDAARO CCc1nc(C)c(C(=O)NCC[NH+](C)C)s1 ZINC000051468215 349534844 /nfs/dbraw/zinc/53/48/44/349534844.db2.gz TVBSBKKOJKLRNL-UHFFFAOYSA-N 1 0 241.360 1.305 50 0 BDAARO Cc1cc[n+](Cc2cnc(C)nc2N)cc1 ZINC000000251478 178308474 /nfs/dbraw/zinc/30/84/74/178308474.db2.gz BHSZAMSDEWQSOW-UHFFFAOYSA-N 1 0 215.280 1.011 50 0 BDAARO C[C@@H](C(=O)N(C)C)[NH+]1CCCCCCC1 ZINC000032751331 538950482 /nfs/dbraw/zinc/95/04/82/538950482.db2.gz AKAPCQRBSVJRJU-NSHDSACASA-N 1 0 212.337 1.729 50 0 BDAARO O=C(c1ccc2cc[nH]c2c1)N1CC[NH2+]CC1 ZINC000000153979 342677380 /nfs/dbraw/zinc/67/73/80/342677380.db2.gz USRKDEZHNHRTIB-UHFFFAOYSA-N 1 0 229.283 1.213 50 0 BDAARO Cn1ccc2[n+](Cc3ccccc3)cnc-2c1 ZINC000000444755 342687621 /nfs/dbraw/zinc/68/76/21/342687621.db2.gz IOETXJGCBUECAB-UHFFFAOYSA-N 1 0 224.287 1.909 50 0 BDAARO CCn1ccnc1C[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000071882020 342670613 /nfs/dbraw/zinc/67/06/13/342670613.db2.gz UHVYLMDTSSZQQK-VXGBXAGGSA-N 1 0 247.346 1.839 50 0 BDAARO CC[NH+](CC)CC1CCN(CC(=O)OC)CC1 ZINC000047978049 342708091 /nfs/dbraw/zinc/70/80/91/342708091.db2.gz CZNSMMHCHGBMCX-UHFFFAOYSA-N 1 0 242.363 1.213 50 0 BDAARO c1cn([C@H]2CCC[C@H]2[NH2+]C2CCOCC2)cn1 ZINC000037106390 538961612 /nfs/dbraw/zinc/96/16/12/538961612.db2.gz XQLSHRWPTKXEHA-OLZOCXBDSA-N 1 0 235.331 1.745 50 0 BDAARO CC[C@@H](Cn1cnc2cccnc2c1=O)[NH+](C)C ZINC000584901324 342713617 /nfs/dbraw/zinc/71/36/17/342713617.db2.gz KGURCJDLVQVIGD-JTQLQIEISA-N 1 0 246.314 1.132 50 0 BDAARO OCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000002178154 342716752 /nfs/dbraw/zinc/71/67/52/342716752.db2.gz WNABXFXJXBBRFO-UHFFFAOYSA-N 1 0 219.206 1.787 50 0 BDAARO CCOc1ccccc1OCC[NH2+]CCO ZINC000002269564 342717754 /nfs/dbraw/zinc/71/77/54/342717754.db2.gz LLQWXGMUDKNBNH-UHFFFAOYSA-N 1 0 225.288 1.046 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000004202836 342743995 /nfs/dbraw/zinc/74/39/95/342743995.db2.gz PBFBPDLWODIXHK-GFCCVEGCSA-N 1 0 234.299 1.746 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000004202835 342744101 /nfs/dbraw/zinc/74/41/01/342744101.db2.gz PBFBPDLWODIXHK-LBPRGKRZSA-N 1 0 234.299 1.746 50 0 BDAARO O=C(c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000002528783 342722922 /nfs/dbraw/zinc/72/29/22/342722922.db2.gz UKXGHBPPSTVPJO-UHFFFAOYSA-N 1 0 224.691 1.385 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[NH2+]CC1 ZINC000002565042 342724578 /nfs/dbraw/zinc/72/45/78/342724578.db2.gz WDPWEXWMQDRXAL-UHFFFAOYSA-N 1 0 200.282 1.217 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000004988873 342755681 /nfs/dbraw/zinc/75/56/81/342755681.db2.gz LHRVCONLTQHNBG-CYBMUJFWSA-N 1 0 232.327 1.692 50 0 BDAARO CCCCCC(=O)NC1CC[NH+](C)CC1 ZINC000004750158 342751334 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179961894 /nfs/dbraw/zinc/96/18/94/179961894.db2.gz WPIWCAMYGSJKRH-OLZOCXBDSA-N 1 0 248.374 1.206 50 0 BDAARO CCCNC(=O)NCC1([NH3+])CCC(C)CC1 ZINC000725255241 538050969 /nfs/dbraw/zinc/05/09/69/538050969.db2.gz WWYHEHWOVSFZIM-UHFFFAOYSA-N 1 0 227.352 1.603 50 0 BDAARO CC(C)(O)CC[NH2+]Cc1cccc2c1OCO2 ZINC000092801091 191033707 /nfs/dbraw/zinc/03/37/07/191033707.db2.gz BGUPZIZXVQAZCL-UHFFFAOYSA-N 1 0 237.299 1.666 50 0 BDAARO Cc1cscc1C(=O)N(C)CCC[NH3+] ZINC000132799315 191035584 /nfs/dbraw/zinc/03/55/84/191035584.db2.gz GQKFZTCRXXUWHV-UHFFFAOYSA-N 1 0 212.318 1.477 50 0 BDAARO CCCn1c(SCC[NH+](C)C)n[nH]c1=O ZINC000040456979 350365651 /nfs/dbraw/zinc/36/56/51/350365651.db2.gz ZIPXFLBCMBAYEW-UHFFFAOYSA-N 1 0 230.337 1.047 50 0 BDAARO Cc1cc(NCCO)c2ccccc2[nH+]1 ZINC000005811688 350941569 /nfs/dbraw/zinc/94/15/69/350941569.db2.gz HJJABTGEOPFIGP-UHFFFAOYSA-N 1 0 202.257 1.369 50 0 BDAARO CC(C)(C)OC(=O)N[C@]12CC[C@H]1C[NH2+]C2 ZINC000034752177 351254595 /nfs/dbraw/zinc/25/45/95/351254595.db2.gz WATXNHHBICSVMQ-KWQFWETISA-N 1 0 212.293 1.263 50 0 BDAARO C[NH+](C)CC(=O)N1CCCC[C@@H]1C(F)F ZINC000334242915 352298222 /nfs/dbraw/zinc/29/82/22/352298222.db2.gz PCZLINWJSLHKMO-MRVPVSSYSA-N 1 0 220.263 1.194 50 0 BDAARO C1CCc2c(nnn2C2CC[NH2+]CC2)C1 ZINC000047844193 187778540 /nfs/dbraw/zinc/77/85/40/187778540.db2.gz LEYIPUSIQDUURG-UHFFFAOYSA-N 1 0 206.293 1.081 50 0 BDAARO CC(C)([NH3+])CNC(=O)NC1CCCCC1 ZINC000168382749 535203295 /nfs/dbraw/zinc/20/32/95/535203295.db2.gz FYBBHSODMBCFLC-UHFFFAOYSA-N 1 0 213.325 1.356 50 0 BDAARO FC(F)(F)c1cccnc1N1CCC[NH2+]CC1 ZINC000000152368 180896014 /nfs/dbraw/zinc/89/60/14/180896014.db2.gz BMKFDQXBPCCAFY-UHFFFAOYSA-N 1 0 245.248 1.900 50 0 BDAARO OCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000002486922 353475657 /nfs/dbraw/zinc/47/56/57/353475657.db2.gz KNOGCVUPZSAKIT-UHFFFAOYSA-N 1 0 204.273 1.292 50 0 BDAARO Fc1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019371683 180979671 /nfs/dbraw/zinc/97/96/71/180979671.db2.gz KUBAKABDMNMEGZ-UHFFFAOYSA-N 1 0 238.306 1.500 50 0 BDAARO O=[n+]1c2c(n(O)c3c1CCCC3)CCC2 ZINC000103942059 188517896 /nfs/dbraw/zinc/51/78/96/188517896.db2.gz XBVVAJQWTUVHDQ-UHFFFAOYSA-N 1 0 207.253 1.007 50 0 BDAARO CC(C)CCC(=O)N1CCC[N@H+](C)CC1 ZINC000033028567 354595122 /nfs/dbraw/zinc/59/51/22/354595122.db2.gz PETAXMHVBQVPEL-UHFFFAOYSA-N 1 0 212.337 1.587 50 0 BDAARO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cncc(F)c1 ZINC000335179676 354953746 /nfs/dbraw/zinc/95/37/46/354953746.db2.gz XLKAMVQUUGBZAE-RNFRBKRXSA-N 1 0 226.255 1.078 50 0 BDAARO NC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000027630115 181189096 /nfs/dbraw/zinc/18/90/96/181189096.db2.gz HQXFFHIYHJNDRS-UHFFFAOYSA-N 1 0 202.261 1.193 50 0 BDAARO NC(=[NH2+])SCC(=O)Nc1ccc(Cl)cc1 ZINC000003887158 181190701 /nfs/dbraw/zinc/19/07/01/181190701.db2.gz PIFOLZDLVFXFHY-UHFFFAOYSA-N 1 0 243.719 1.905 50 0 BDAARO NC(=[NH2+])c1ccnc(-n2cnc3ccccc32)c1 ZINC000019428704 181197349 /nfs/dbraw/zinc/19/73/49/181197349.db2.gz RCKMUPHALVBKRY-UHFFFAOYSA-N 1 0 237.266 1.705 50 0 BDAARO CC1(C)CCC[C@@H]1[NH2+]Cc1nccc(N)n1 ZINC000191844979 355855135 /nfs/dbraw/zinc/85/51/35/355855135.db2.gz XGAFJGILUXAXQP-VIFPVBQESA-N 1 0 220.320 1.727 50 0 BDAARO CCCCCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000034689324 356367941 /nfs/dbraw/zinc/36/79/41/356367941.db2.gz BVBVOYDAGRVTPH-LBPRGKRZSA-N 1 0 220.316 1.993 50 0 BDAARO COCCC[NH2+]C[C@](C)(O)c1ccccc1 ZINC000052097618 356369601 /nfs/dbraw/zinc/36/96/01/356369601.db2.gz FCLSIIPQNBNWMH-ZDUSSCGKSA-N 1 0 223.316 1.520 50 0 BDAARO CN1C(=O)CC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000618254181 356468581 /nfs/dbraw/zinc/46/85/81/356468581.db2.gz MIZHDLBWZNMSEF-CQSZACIVSA-N 1 0 244.338 1.666 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccncc1 ZINC000083368406 538476015 /nfs/dbraw/zinc/47/60/15/538476015.db2.gz HUCCLJWMKGZRPS-CABCVRRESA-N 1 0 240.306 1.830 50 0 BDAARO C[NH2+]Cc1cc(-c2cccc(OC)c2)n[nH]1 ZINC000221175264 538554798 /nfs/dbraw/zinc/55/47/98/538554798.db2.gz MQJXUWRRNGREMT-UHFFFAOYSA-N 1 0 217.272 1.805 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCOCC1 ZINC000095423675 538603668 /nfs/dbraw/zinc/60/36/68/538603668.db2.gz GBBLGXWXYCOWMB-ZIAGYGMSSA-N 1 0 233.311 1.413 50 0 BDAARO COC(=O)N1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000095403026 538606085 /nfs/dbraw/zinc/60/60/85/538606085.db2.gz ZGADFIRMRRCMMD-SNVBAGLBSA-N 1 0 244.360 1.312 50 0 BDAARO OC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCOC1 ZINC000095442094 538606429 /nfs/dbraw/zinc/60/64/29/538606429.db2.gz JXIGOEAJPYWIOG-TZMCWYRMSA-N 1 0 233.311 1.367 50 0 BDAARO CS[C@H]1CCC[C@@H]1[N@H+](C)CCCO ZINC000078947992 356802562 /nfs/dbraw/zinc/80/25/62/356802562.db2.gz XBHRSXQZFZPHGY-UWVGGRQHSA-N 1 0 203.351 1.585 50 0 BDAARO C[C@@H]1C[N@@H+](CCCCCCO)C[C@H](C)O1 ZINC000075105535 356835188 /nfs/dbraw/zinc/83/51/88/356835188.db2.gz HYQABNUGSUNISB-TXEJJXNPSA-N 1 0 215.337 1.648 50 0 BDAARO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cccnc1 ZINC000040457889 357276909 /nfs/dbraw/zinc/27/69/09/357276909.db2.gz CEQZQVWGCYVGFM-SECBINFHSA-N 1 0 207.277 1.394 50 0 BDAARO COC(=O)C[C@H]([NH3+])CCc1ccccc1 ZINC000038350871 358148067 /nfs/dbraw/zinc/14/80/67/358148067.db2.gz XSSNVSFNSNFGFA-LLVKDONJSA-N 1 0 207.273 1.510 50 0 BDAARO CC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000119219429 358171528 /nfs/dbraw/zinc/17/15/28/358171528.db2.gz GBNGHTJSTKGMLL-NXEZZACHSA-N 1 0 215.337 1.693 50 0 BDAARO CCOC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000233647291 358198428 /nfs/dbraw/zinc/19/84/28/358198428.db2.gz RJELEWQGYOGXFH-KOLCDFICSA-N 1 0 215.293 1.097 50 0 BDAARO C([C@@H]1CCOC1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000051997120 358769362 /nfs/dbraw/zinc/76/93/62/358769362.db2.gz VCDLHXWNWGLPBI-YNEHKIRRSA-N 1 0 225.332 1.666 50 0 BDAARO [NH3+][C@H]1COc2c(Br)cccc2C1 ZINC000016083006 359988782 /nfs/dbraw/zinc/98/87/82/359988782.db2.gz VTWFNZHMJMACOM-SSDOTTSWSA-N 1 0 228.089 1.711 50 0 BDAARO CC(=O)N1c2ccccc2[C@H]2C[NH2+]CC[C@H]21 ZINC000238061947 360543351 /nfs/dbraw/zinc/54/33/51/360543351.db2.gz VCHMFUOHDGZSMX-DGCLKSJQSA-N 1 0 216.284 1.499 50 0 BDAARO CC(C)(C)OC(=O)N1CC(F)(F)C12C[NH2+]C2 ZINC000238143803 360624882 /nfs/dbraw/zinc/62/48/82/360624882.db2.gz CVADBSMVVNFHCA-UHFFFAOYSA-N 1 0 234.246 1.214 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@H]1C(C)=CCC[C@@H]1C ZINC000249083052 361187639 /nfs/dbraw/zinc/18/76/39/361187639.db2.gz LXIXPPOSKIWXKE-MJBXVCDLSA-N 1 0 241.375 1.918 50 0 BDAARO [NH3+]C1(C(=O)Nc2cnc3n2CCCC3)CCC1 ZINC000067643356 181329762 /nfs/dbraw/zinc/32/97/62/181329762.db2.gz HMKPTLHRHAVWBS-UHFFFAOYSA-N 1 0 234.303 1.039 50 0 BDAARO CCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C1CC1 ZINC000170053068 361386456 /nfs/dbraw/zinc/38/64/56/361386456.db2.gz RSZFGIRZCKWPBF-QWRGUYRKSA-N 1 0 210.321 1.148 50 0 BDAARO CSC[C@@H](O)C[N@@H+]1C[C@H](C)OCC1(C)C ZINC000170085609 361389908 /nfs/dbraw/zinc/38/99/08/361389908.db2.gz KCUQMDACPUMLBY-UWVGGRQHSA-N 1 0 233.377 1.210 50 0 BDAARO C[C@@H]1CN(C2CC(C(F)F)C2)C[C@H](C)[NH2+]1 ZINC000170086361 361390182 /nfs/dbraw/zinc/39/01/82/361390182.db2.gz HJWYWQRVGZQMFK-BQKDNTBBSA-N 1 0 218.291 1.712 50 0 BDAARO [NH3+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067870508 181332333 /nfs/dbraw/zinc/33/23/33/181332333.db2.gz XYUOXJYKKFGJHX-UHFFFAOYSA-N 1 0 231.255 1.007 50 0 BDAARO [NH3+]C1(c2nc(-c3cnccn3)no2)CCCCC1 ZINC000041032827 181334616 /nfs/dbraw/zinc/33/46/16/181334616.db2.gz YXQAGJIELFLGMO-UHFFFAOYSA-N 1 0 245.286 1.645 50 0 BDAARO [NH3+]C1(c2ccccc2C(F)(F)F)COC1 ZINC000071792977 181334651 /nfs/dbraw/zinc/33/46/51/181334651.db2.gz LZMUYHFIUDZHCS-UHFFFAOYSA-N 1 0 217.190 1.890 50 0 BDAARO [NH3+]C1(c2ccccc2Br)COC1 ZINC000095094609 181335096 /nfs/dbraw/zinc/33/50/96/181335096.db2.gz CCZSYZVQEOLWDF-UHFFFAOYSA-N 1 0 228.089 1.633 50 0 BDAARO [NH2+]=C1CC[C@](O)(c2ccc(Cl)cc2)N1 ZINC000006863382 181338756 /nfs/dbraw/zinc/33/87/56/181338756.db2.gz CFQBALSDTQOQDB-JTQLQIEISA-N 1 0 210.664 1.636 50 0 BDAARO [NH2+]=C1NC[C@H](c2ccc(Br)cc2)O1 ZINC000063110937 181339157 /nfs/dbraw/zinc/33/91/57/181339157.db2.gz QKNWNIQGFNMGFH-MRVPVSSYSA-N 1 0 241.088 1.835 50 0 BDAARO O=C(CCc1ccsc1)NCC[NH2+]C1CC1 ZINC000170676830 364010515 /nfs/dbraw/zinc/01/05/15/364010515.db2.gz DOJVBDQGJAACQW-UHFFFAOYSA-N 1 0 238.356 1.549 50 0 BDAARO [NH3+]CC(=O)Nc1cccc2ncccc21 ZINC000019424709 181355082 /nfs/dbraw/zinc/35/50/82/181355082.db2.gz QCCCNGDXOJKCIP-UHFFFAOYSA-N 1 0 201.229 1.132 50 0 BDAARO [NH3+]CC(=O)Nc1cccc2ccccc21 ZINC000004201696 181355468 /nfs/dbraw/zinc/35/54/68/181355468.db2.gz ZXHVADKSAXZACO-UHFFFAOYSA-N 1 0 200.241 1.737 50 0 BDAARO [NH3+]CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000044513123 181365500 /nfs/dbraw/zinc/36/55/00/181365500.db2.gz QVAGOPRRTSZXGL-UHFFFAOYSA-N 1 0 234.299 1.856 50 0 BDAARO [NH3+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000020268715 181386680 /nfs/dbraw/zinc/38/66/80/181386680.db2.gz KAMZFYAIDNHZDU-UHFFFAOYSA-N 1 0 221.235 1.767 50 0 BDAARO [NH3+]CCCn1ccnc1-c1ccccc1 ZINC000012953711 181389003 /nfs/dbraw/zinc/38/90/03/181389003.db2.gz WLRMVXCQYGCPLF-UHFFFAOYSA-N 1 0 201.273 1.899 50 0 BDAARO [NH3+]CCN1CCc2c(Cl)cccc2C1 ZINC000082790929 181393781 /nfs/dbraw/zinc/39/37/81/181393781.db2.gz JDUOJYXTUJNICO-UHFFFAOYSA-N 1 0 210.708 1.657 50 0 BDAARO [NH3+]CCNc1ncc(Cl)cc1Cl ZINC000019517376 181398539 /nfs/dbraw/zinc/39/85/39/181398539.db2.gz QIGRZNVMHAYSMZ-UHFFFAOYSA-N 1 0 206.076 1.759 50 0 BDAARO [NH3+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000019518545 181421410 /nfs/dbraw/zinc/42/14/10/181421410.db2.gz YNVGFONMHWYVLE-ZCFIWIBFSA-N 1 0 236.098 1.692 50 0 BDAARO [NH3+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000002454810 181421671 /nfs/dbraw/zinc/42/16/71/181421671.db2.gz DIKDJHYQDCIPPK-MRVPVSSYSA-N 1 0 246.104 1.148 50 0 BDAARO C[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000211577345 368399976 /nfs/dbraw/zinc/39/99/76/368399976.db2.gz ORGMIXQZUVFNHU-QMMMGPOBSA-N 1 0 200.282 1.215 50 0 BDAARO CSCC[C@@H](C)[NH2+]CC1(CO)CCOCC1 ZINC000584884795 369033019 /nfs/dbraw/zinc/03/30/19/369033019.db2.gz VBHJPXDTRQPVFM-LLVKDONJSA-N 1 0 247.404 1.507 50 0 BDAARO [NH3+]C[C@@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000299779762 181438102 /nfs/dbraw/zinc/43/81/02/181438102.db2.gz OAGPUUOIYHOOIM-NSHDSACASA-N 1 0 227.267 1.406 50 0 BDAARO CCOc1cncc(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000621360476 370294775 /nfs/dbraw/zinc/29/47/75/370294775.db2.gz YWEUGQSXGYPDLX-CHWSQXEVSA-N 1 0 236.315 1.483 50 0 BDAARO NNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000013720335 181522094 /nfs/dbraw/zinc/52/20/94/181522094.db2.gz WEINGUACIHGXSP-UHFFFAOYSA-N 1 0 244.233 1.240 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000019093079 181578050 /nfs/dbraw/zinc/57/80/50/181578050.db2.gz RVHUZQWAQLXOEQ-MRVPVSSYSA-N 1 0 210.302 1.311 50 0 BDAARO [NH3+][C@@H]1CCC[C@@H]1C(=O)N(CC1CC1)CC1CC1 ZINC000085375928 181580414 /nfs/dbraw/zinc/58/04/14/181580414.db2.gz OMROCZVTPZWVMR-QWHCGFSZSA-N 1 0 236.359 1.762 50 0 BDAARO Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]CC2CC2)cn1 ZINC000095402032 371279736 /nfs/dbraw/zinc/27/97/36/371279736.db2.gz ATMXUXSTBKTZST-DGCLKSJQSA-N 1 0 235.331 1.497 50 0 BDAARO O=c1cc(C[NH+]2CCCCC2)nc(C2CC2)[nH]1 ZINC000020445037 371283578 /nfs/dbraw/zinc/28/35/78/371283578.db2.gz OVASXYQMFIWFPN-UHFFFAOYSA-N 1 0 233.315 1.633 50 0 BDAARO Nc1cc(Br)cc(C2=[NH+]CCN2)c1 ZINC000004014183 181677196 /nfs/dbraw/zinc/67/71/96/181677196.db2.gz NOYAHNDILIKKDH-UHFFFAOYSA-N 1 0 240.104 1.381 50 0 BDAARO CC[N@@H+](Cc1ccoc1)C[C@@H]1CCOCO1 ZINC000095960655 371362132 /nfs/dbraw/zinc/36/21/32/371362132.db2.gz PLCWUEJWCNBKHF-LBPRGKRZSA-N 1 0 225.288 1.865 50 0 BDAARO CC(C)[NH2+]C[C@@H]1COc2ccccc2C1=O ZINC000096026756 371381292 /nfs/dbraw/zinc/38/12/92/371381292.db2.gz KWSXPIWDXFLMQQ-SNVBAGLBSA-N 1 0 219.284 1.876 50 0 BDAARO CN1c2ccccc2[C@](C)(CC[NH+](C)C)C1=O ZINC000096027111 371381539 /nfs/dbraw/zinc/38/15/39/371381539.db2.gz UPAYZSFFTZXHER-AWEZNQCLSA-N 1 0 232.327 1.872 50 0 BDAARO CCOC(=O)NCCCC[NH2+]C(C)C ZINC000096027374 371382506 /nfs/dbraw/zinc/38/25/06/371382506.db2.gz HRYLWRSDFJODIJ-UHFFFAOYSA-N 1 0 202.298 1.511 50 0 BDAARO O=C(c1ccccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000027932681 371555150 /nfs/dbraw/zinc/55/51/50/371555150.db2.gz PFTZSAUFJAHELL-LLVKDONJSA-N 1 0 231.299 1.002 50 0 BDAARO O=C(/C=C\c1cccc(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000222121959 181849776 /nfs/dbraw/zinc/84/97/76/181849776.db2.gz QGCCJDQHZYGRRD-FWWRYZNZSA-N 1 0 248.301 1.707 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000606441852 372103109 /nfs/dbraw/zinc/10/31/09/372103109.db2.gz JYOGZZUJWDGGLL-ISALQUGTSA-N 1 0 248.301 1.646 50 0 BDAARO Cc1ccc2c(c1)ncn([C@H]1CCC[NH2+]C1)c2=O ZINC000032500769 372199449 /nfs/dbraw/zinc/19/94/49/372199449.db2.gz TUIBVGCFNPRJTH-NSHDSACASA-N 1 0 243.310 1.629 50 0 BDAARO CC(C)CC[C@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000008556675 372759449 /nfs/dbraw/zinc/75/94/49/372759449.db2.gz LJKDBAOIOYJBPR-IUCAKERBSA-N 1 0 244.360 1.981 50 0 BDAARO O=C(Cc1ccsc1)N[C@H]1CCC[NH2+]C1 ZINC000040434219 182059117 /nfs/dbraw/zinc/05/91/17/182059117.db2.gz NAEJOBFXJKWEBM-JTQLQIEISA-N 1 0 224.329 1.159 50 0 BDAARO COC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000040465781 373280998 /nfs/dbraw/zinc/28/09/98/373280998.db2.gz VQIYFJOAKKHWII-QWRGUYRKSA-N 1 0 228.336 1.012 50 0 BDAARO CC(C)CNC(=O)[C@H](C)[NH+]1CCCCC1 ZINC000069530186 373399498 /nfs/dbraw/zinc/39/94/98/373399498.db2.gz KYSFTSJFOPFQDF-NSHDSACASA-N 1 0 212.337 1.633 50 0 BDAARO O=C(NCC[NH+]1CCCCC1)c1ccsc1 ZINC000046855371 182184396 /nfs/dbraw/zinc/18/43/96/182184396.db2.gz MOYBNQWWFCEXHA-UHFFFAOYSA-N 1 0 238.356 1.964 50 0 BDAARO O=C(NCCc1cccs1)C1CC[NH2+]CC1 ZINC000019412940 182208140 /nfs/dbraw/zinc/20/81/40/182208140.db2.gz VLTDHLUJIQCQPV-UHFFFAOYSA-N 1 0 238.356 1.406 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000041028563 374079937 /nfs/dbraw/zinc/07/99/37/374079937.db2.gz DRTDONXGTUKIPO-LJLILKBBSA-N 1 0 248.301 1.789 50 0 BDAARO O=C(NCc1ccccc1F)[C@@H]1CCC[NH2+]1 ZINC000011754385 182257234 /nfs/dbraw/zinc/25/72/34/182257234.db2.gz MTARGVWTABQPFH-NSHDSACASA-N 1 0 222.263 1.194 50 0 BDAARO c1cnn(CC[N@@H+]2CCC[C@H]2Cn2cccn2)c1 ZINC000071875726 374319684 /nfs/dbraw/zinc/31/96/84/374319684.db2.gz LOBKHVCKSNJPHG-ZDUSSCGKSA-N 1 0 245.330 1.244 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1 ZINC000229387127 182335909 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DIUNALVAJVVLLR-SECBINFHSA-N 1 0 246.332 1.075 50 0 BDAARO OC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000125248898 183115884 /nfs/dbraw/zinc/11/58/84/183115884.db2.gz UYDBXBKOFUFCJW-STQMWFEESA-N 1 0 237.347 1.414 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000000182783 183120440 /nfs/dbraw/zinc/12/04/40/183120440.db2.gz COTCEDSHEHERBD-LBPRGKRZSA-N 1 0 209.264 1.782 50 0 BDAARO O[C@@H](CN1CC[NH2+]CC1)c1ccccc1Cl ZINC000019785171 183177877 /nfs/dbraw/zinc/17/78/77/183177877.db2.gz GINZIWLUUHLAHY-LBPRGKRZSA-N 1 0 240.734 1.279 50 0 BDAARO O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000070063711 183197707 /nfs/dbraw/zinc/19/77/07/183197707.db2.gz LPAUXFJVHQOLPC-CQSZACIVSA-N 1 0 217.312 1.742 50 0 BDAARO O[C@@H]1CC[N@H+](CCOc2ccccc2Cl)C1 ZINC000061707880 183198555 /nfs/dbraw/zinc/19/85/55/183198555.db2.gz YRIUYYKTCASZNS-SNVBAGLBSA-N 1 0 241.718 1.785 50 0 BDAARO O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000000238208 183194143 /nfs/dbraw/zinc/19/41/43/183194143.db2.gz WYDTVQAJCGVUPS-LLVKDONJSA-N 1 0 209.264 1.782 50 0 BDAARO O[C@]12CCC[NH2+][C@H]1c1ccccc1CC2 ZINC000071773145 183253405 /nfs/dbraw/zinc/25/34/05/183253405.db2.gz TUNXXKUKSSFOOH-STQMWFEESA-N 1 0 203.285 1.788 50 0 BDAARO O[C@H]1CCCC[C@H]1[NH+]1CCC(CF)CC1 ZINC000336253939 183232901 /nfs/dbraw/zinc/23/29/01/183232901.db2.gz ZHTSCOWMEFRMAO-NEPJUHHUSA-N 1 0 215.312 1.971 50 0 BDAARO O[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000047915850 183234412 /nfs/dbraw/zinc/23/44/12/183234412.db2.gz TUBMBDUWFXFNSW-LBPRGKRZSA-N 1 0 239.290 1.661 50 0 BDAARO Oc1ccc(CN2CC[NH2+]CC2)cc1Cl ZINC000043489640 183268787 /nfs/dbraw/zinc/26/87/87/183268787.db2.gz IUFDMYKDRRWUCY-UHFFFAOYSA-N 1 0 226.707 1.451 50 0 BDAARO Oc1cccc(CCC[NH+]2CCOCC2)c1 ZINC000062184299 183287147 /nfs/dbraw/zinc/28/71/47/183287147.db2.gz VIXXUOKLKHZMIQ-UHFFFAOYSA-N 1 0 221.300 1.657 50 0 BDAARO Oc1cccc(C[NH2+]C[C@H]2CCCO2)c1 ZINC000019963853 183292119 /nfs/dbraw/zinc/29/21/19/183292119.db2.gz VLBYNOOZNKFCDJ-GFCCVEGCSA-N 1 0 207.273 1.661 50 0 BDAARO Oc1cccc([C@@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000067319288 183293871 /nfs/dbraw/zinc/29/38/71/183293871.db2.gz VZSURLQUQZLWER-AWEZNQCLSA-N 1 0 244.294 1.610 50 0 BDAARO Oc1cccc([C@H](O)C[NH2+]Cc2ccccn2)c1 ZINC000067319290 183294509 /nfs/dbraw/zinc/29/45/09/183294509.db2.gz VZSURLQUQZLWER-CQSZACIVSA-N 1 0 244.294 1.610 50 0 BDAARO c1cc(C[N@H+]2CCc3nncn3CC2)cs1 ZINC000014882655 183346761 /nfs/dbraw/zinc/34/67/61/183346761.db2.gz CEQKMGMBSQDZGQ-UHFFFAOYSA-N 1 0 234.328 1.398 50 0 BDAARO c1cnn(CC[NH2+]Cc2cccc3c2OCO3)c1 ZINC000042351609 183349845 /nfs/dbraw/zinc/34/98/45/183349845.db2.gz ODAIDIKIIPSFAQ-UHFFFAOYSA-N 1 0 245.282 1.402 50 0 BDAARO CCC[NH2+]C[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000069564985 169262870 /nfs/dbraw/zinc/26/28/70/169262870.db2.gz HHKANITZIBEABR-NSHDSACASA-N 1 0 236.363 1.964 50 0 BDAARO CCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000070906088 169255627 /nfs/dbraw/zinc/25/56/27/169255627.db2.gz XAPPBFZZMSZHEL-UHFFFAOYSA-N 1 0 214.309 1.605 50 0 BDAARO CCC[NH2+]CCNC(=O)c1ccc(C)cc1F ZINC000094919038 169259292 /nfs/dbraw/zinc/25/92/92/169259292.db2.gz MABKQDOQKXONAB-UHFFFAOYSA-N 1 0 238.306 1.864 50 0 BDAARO c1cc(CN2CC[NH2+]CC2)cc2c1OCC2 ZINC000020268363 183368561 /nfs/dbraw/zinc/36/85/61/183368561.db2.gz WVVYETFQVXIRRZ-UHFFFAOYSA-N 1 0 218.300 1.027 50 0 BDAARO CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000007486487 169235235 /nfs/dbraw/zinc/23/52/35/169235235.db2.gz KPCOZRRDHKNIBX-SNVBAGLBSA-N 1 0 241.335 1.097 50 0 BDAARO c1nn(-c2ccccc2)cc1CN1CC[NH2+]CC1 ZINC000036923956 183386704 /nfs/dbraw/zinc/38/67/04/183386704.db2.gz GNDJJPTVKCWBQM-UHFFFAOYSA-N 1 0 242.326 1.278 50 0 BDAARO c1ccc(-n2nnnc2S[C@@H]2CC[NH2+]C2)cc1 ZINC000051783999 183387329 /nfs/dbraw/zinc/38/73/29/183387329.db2.gz JPTCRJBEPLLION-SNVBAGLBSA-N 1 0 247.327 1.116 50 0 BDAARO CCC[NH2+][C@@H]1CCc2nc(N)sc2C1 ZINC000003831352 169282750 /nfs/dbraw/zinc/28/27/50/169282750.db2.gz FASDKYOPVNHBLU-SSDOTTSWSA-N 1 0 211.334 1.582 50 0 world BDAARO CCCOc1ccc(CC[NH3+])cc1OC ZINC000011864567 169318148 /nfs/dbraw/zinc/31/81/48/169318148.db2.gz SREDMHHCBHOIIB-UHFFFAOYSA-N 1 0 209.289 1.985 50 0 BDAARO c1ccc2nc(OC3CC[NH2+]CC3)cnc2c1 ZINC000044029918 183458540 /nfs/dbraw/zinc/45/85/40/183458540.db2.gz MNFOPDNGOVUXGD-UHFFFAOYSA-N 1 0 229.283 1.761 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC000020285995 166656432 /nfs/dbraw/zinc/65/64/32/166656432.db2.gz HGLKMYOTFGKEDG-CIUDSAMLSA-N 1 0 212.293 1.343 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]([NH3+])C(C)(C)C ZINC000144593774 166662101 /nfs/dbraw/zinc/66/21/01/166662101.db2.gz OTSWUUVDIYKZTD-MRVPVSSYSA-N 1 0 216.325 1.885 50 0 BDAARO Brc1cccnc1N1CC[NH2+]CC1 ZINC000026898957 532973865 /nfs/dbraw/zinc/97/38/65/532973865.db2.gz KYMBSIUPQJYAFF-UHFFFAOYSA-N 1 0 242.120 1.254 50 0 BDAARO C[NH+](C)CCSc1nnnn1-c1ccccc1 ZINC000000090514 383823909 /nfs/dbraw/zinc/82/39/09/383823909.db2.gz ZGCRFGIVBLUDMA-UHFFFAOYSA-N 1 0 249.343 1.316 50 0 BDAARO COC(=O)CCC[N@@H+]1CCSC[C@@H]1C ZINC000069761159 383845490 /nfs/dbraw/zinc/84/54/90/383845490.db2.gz HVYNYUCMLLFPIC-VIFPVBQESA-N 1 0 217.334 1.377 50 0 BDAARO C[NH+](C)CCNC(=S)Nc1ccccc1F ZINC000000315968 383854280 /nfs/dbraw/zinc/85/42/80/383854280.db2.gz OOOJLPJFCHJRLY-UHFFFAOYSA-N 1 0 241.335 1.674 50 0 BDAARO CC(=O)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000001620684 383911848 /nfs/dbraw/zinc/91/18/48/383911848.db2.gz CYTIQZKDSHKYGB-UHFFFAOYSA-N 1 0 218.300 1.792 50 0 BDAARO CSCCCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000158408929 383926739 /nfs/dbraw/zinc/92/67/39/383926739.db2.gz WGDKAKVWPOYGSF-VHSXEESVSA-N 1 0 230.377 1.373 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000000199278 383898368 /nfs/dbraw/zinc/89/83/68/383898368.db2.gz DBLCBPSGLKZCOO-CYBMUJFWSA-N 1 0 235.327 1.960 50 0 BDAARO OCC[NH2+]Cc1[nH]c2ccccc2c1Cl ZINC000003098557 383998791 /nfs/dbraw/zinc/99/87/91/383998791.db2.gz BCKGKSKEDQMLFJ-UHFFFAOYSA-N 1 0 224.691 1.903 50 0 BDAARO Cc1ccc(C(=O)NC2CC[NH2+]CC2)s1 ZINC000037116519 383940950 /nfs/dbraw/zinc/94/09/50/383940950.db2.gz GXMKUBYOYWTRRC-UHFFFAOYSA-N 1 0 224.329 1.538 50 0 BDAARO C[NH+]1CCC(CNC(=O)CC2CC2)CC1 ZINC000067895274 383955828 /nfs/dbraw/zinc/95/58/28/383955828.db2.gz QLBXBQHMABSBNJ-UHFFFAOYSA-N 1 0 210.321 1.245 50 0 BDAARO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000002522727 383970693 /nfs/dbraw/zinc/97/06/93/383970693.db2.gz CMSWETNAAPYFSH-ZDUSSCGKSA-N 1 0 218.300 1.397 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000002554007 383972972 /nfs/dbraw/zinc/97/29/72/383972972.db2.gz VRYRZCFIBXSFEN-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 BDAARO C[NH+](C)CCCOc1ccc(C=O)cc1 ZINC000002539417 383974465 /nfs/dbraw/zinc/97/44/65/383974465.db2.gz ZYOHTXKOHWSJMZ-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C\c2cccnc2)C[C@H](C)[NH2+]1 ZINC000255194535 384022952 /nfs/dbraw/zinc/02/29/52/384022952.db2.gz XRKDXMIOPYXCPV-DLXAAPBESA-N 1 0 245.326 1.304 50 0 BDAARO C[C@]1([NH2+]Cc2ccccc2)CCS(=O)(=O)C1 ZINC000003865869 384032365 /nfs/dbraw/zinc/03/23/65/384032365.db2.gz QUZCDXMSDWMIPD-LBPRGKRZSA-N 1 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QQZPVUUAFKJTDF-ZJUUUORDSA-N 1 0 236.319 1.196 50 0 BDAARO O=C1c2cc(F)ccc2CN1[C@@H]1CC[NH2+]C1 ZINC000040449766 384154142 /nfs/dbraw/zinc/15/41/42/384154142.db2.gz YVNXICYAFHSLDL-SNVBAGLBSA-N 1 0 220.247 1.143 50 0 BDAARO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)s1 ZINC000090849289 384162818 /nfs/dbraw/zinc/16/28/18/384162818.db2.gz FOGIEAXULJVSPO-PWSUYJOCSA-N 1 0 241.356 1.859 50 0 BDAARO C[n+]1ccc(C(=O)NCc2ccccc2)cc1 ZINC000002678883 384178455 /nfs/dbraw/zinc/17/84/55/384178455.db2.gz QOEJDHLJOKRPJG-UHFFFAOYSA-O 1 0 227.287 1.441 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H](C[NH3+])C1 ZINC000072267108 384204424 /nfs/dbraw/zinc/20/44/24/384204424.db2.gz XGPKBQDMQMWFFR-IUCAKERBSA-N 1 0 232.299 1.540 50 0 BDAARO C[C@]1(F)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000336268728 384195507 /nfs/dbraw/zinc/19/55/07/384195507.db2.gz HTKAGWQFCIBTJY-MNOVXSKESA-N 1 0 201.285 1.847 50 0 BDAARO C[NH+](C)CCCOc1cccc(C=O)c1 ZINC000009261517 384241083 /nfs/dbraw/zinc/24/10/83/384241083.db2.gz 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1.438 50 0 BDAARO Cc1ccncc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237758666 384374008 /nfs/dbraw/zinc/37/40/08/384374008.db2.gz HBDZOHBOEITFIR-NSHDSACASA-N 1 0 249.314 1.097 50 0 BDAARO C[NH+]1CCC(COc2cnc(Cl)nc2)CC1 ZINC000095743238 384392173 /nfs/dbraw/zinc/39/21/73/384392173.db2.gz KOJCOLTUVIRIGR-UHFFFAOYSA-N 1 0 241.722 1.851 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C[NH3+] ZINC000095743220 384393433 /nfs/dbraw/zinc/39/34/33/384393433.db2.gz DADYKTRZKFJROI-SFYZADRCSA-N 1 0 218.272 1.293 50 0 BDAARO C(CC1CC[NH2+]CC1)OC[C@H]1CCCO1 ZINC000014632386 384398924 /nfs/dbraw/zinc/39/89/24/384398924.db2.gz JTROWEUMRQNJCF-GFCCVEGCSA-N 1 0 213.321 1.572 50 0 BDAARO C[C@@]1(C[NH3+])CCCN1Cc1ccccc1 ZINC000095868154 384402328 /nfs/dbraw/zinc/40/23/28/384402328.db2.gz CXOCJFUGPZTFSC-ZDUSSCGKSA-N 1 0 204.317 2.000 50 0 BDAARO c1cn(CC2CC2)c(C2CC[NH2+]CC2)n1 ZINC000096032233 384421178 /nfs/dbraw/zinc/42/11/78/384421178.db2.gz KYFVWWONXJDFQJ-UHFFFAOYSA-N 1 0 205.305 1.760 50 0 BDAARO C[NH2+][C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 ZINC000014129176 384387345 /nfs/dbraw/zinc/38/73/45/384387345.db2.gz DKOIWNZNYNFDRM-GFCCVEGCSA-N 1 0 245.282 1.882 50 0 BDAARO O=C1C[C@@]2(CC[N@H+](Cc3ccccc3)C2)CN1 ZINC000076914582 384387737 /nfs/dbraw/zinc/38/77/37/384387737.db2.gz WPICAKZZAJHCLQ-AWEZNQCLSA-N 1 0 230.311 1.399 50 0 BDAARO COC[C@H](O)C[NH2+][C@H](C)Cc1ccccc1C ZINC000097228425 384451118 /nfs/dbraw/zinc/45/11/18/384451118.db2.gz FZZQYQMZAAONDL-TZMCWYRMSA-N 1 0 237.343 1.523 50 0 BDAARO Nc1nnc([C@H](N)c2ccccc2)s1 ZINC000096085744 384434106 /nfs/dbraw/zinc/43/41/06/384434106.db2.gz ODESJYPRWODCFO-SSDOTTSWSA-N 1 0 206.274 1.168 50 0 BDAARO CCO[C@H]1C[C@@H](N(C)C(=O)C[NH3+])C1(CC)CC ZINC000121858539 384442671 /nfs/dbraw/zinc/44/26/71/384442671.db2.gz QCKOSMDSLSCDIY-MNOVXSKESA-N 1 0 242.363 1.387 50 0 BDAARO Cc1ccc2c(c1)[C@H]([NH2+]CCOCCO)[C@@H](C)C2 ZINC000097233852 384463284 /nfs/dbraw/zinc/46/32/84/384463284.db2.gz VSJIXJMPRNSRRS-SWLSCSKDSA-N 1 0 249.354 1.827 50 0 BDAARO c1ccc2sc(CN3CC[NH2+]CC3)nc2c1 ZINC000019230047 384513150 /nfs/dbraw/zinc/51/31/50/384513150.db2.gz DMMLNYGSUHAMCP-UHFFFAOYSA-N 1 0 233.340 1.702 50 0 BDAARO CC[C@H]([NH3+])c1ccccc1OCC(=O)NC ZINC000019277943 384516187 /nfs/dbraw/zinc/51/61/87/384516187.db2.gz KEJOEEOJHLKCDO-JTQLQIEISA-N 1 0 222.288 1.221 50 0 BDAARO Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000019275463 384517024 /nfs/dbraw/zinc/51/70/24/384517024.db2.gz SRDKKXSDUFFOAR-GFCCVEGCSA-N 1 0 218.300 1.477 50 0 BDAARO Nc1nc(-c2ccoc2)cc(N2CCOCC2)n1 ZINC000097394036 384518197 /nfs/dbraw/zinc/51/81/97/384518197.db2.gz FUYUJSVVXOHSLG-UHFFFAOYSA-N 1 0 246.270 1.155 50 0 BDAARO CCc1ccc(CNCC[NH2+]C[C@@H](C)O)cc1 ZINC000019370637 384519177 /nfs/dbraw/zinc/51/91/77/384519177.db2.gz LVSVHSNVCDDROX-GFCCVEGCSA-N 1 0 236.359 1.309 50 0 BDAARO [NH3+]CCc1nc2ccccc2n1C(F)F ZINC000019408007 384519846 /nfs/dbraw/zinc/51/98/46/384519846.db2.gz AJOVVJRPHDKNEP-UHFFFAOYSA-N 1 0 211.215 1.933 50 0 BDAARO CN(C)c1cncc([C@@H]2CCC[NH2+]C2)n1 ZINC000019686775 384532478 /nfs/dbraw/zinc/53/24/78/384532478.db2.gz PYNQWSQDMRIOJT-SECBINFHSA-N 1 0 206.293 1.010 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCCC2 ZINC000049559571 384550059 /nfs/dbraw/zinc/55/00/59/384550059.db2.gz ZLEHAEXRVHIASM-ZETCQYMHSA-N 1 0 239.344 1.698 50 0 BDAARO C[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000049648540 384553464 /nfs/dbraw/zinc/55/34/64/384553464.db2.gz ACQBHEWEEYOHKA-VIFPVBQESA-N 1 0 224.691 1.665 50 0 BDAARO Cc1csc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000049815044 384570057 /nfs/dbraw/zinc/57/00/57/384570057.db2.gz HPXWOHLQSZGUPU-VIFPVBQESA-N 1 0 211.334 1.418 50 0 BDAARO C(C[NH2+]CC1CCCCC1)CN1CCOCC1 ZINC000020141517 384584614 /nfs/dbraw/zinc/58/46/14/384584614.db2.gz NWZFEPAYHXWPTG-UHFFFAOYSA-N 1 0 240.391 1.879 50 0 BDAARO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1 ZINC000098209909 384604514 /nfs/dbraw/zinc/60/45/14/384604514.db2.gz OJZFCODDXKJJIK-WCQYABFASA-N 1 0 221.300 1.316 50 0 BDAARO C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000020281162 384611296 /nfs/dbraw/zinc/61/12/96/384611296.db2.gz UPFXBEQEVWAQCH-MRVPVSSYSA-N 1 0 213.302 1.371 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000050246150 384612089 /nfs/dbraw/zinc/61/20/89/384612089.db2.gz QODHPVUEPSNBEA-GFCCVEGCSA-N 1 0 218.300 1.036 50 0 BDAARO CN(C)CC[NH2+]Cc1ccccc1Cl ZINC000020512082 384618367 /nfs/dbraw/zinc/61/83/67/384618367.db2.gz SBVGXVDIPTVBKO-UHFFFAOYSA-N 1 0 212.724 1.991 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000082359767 384676263 /nfs/dbraw/zinc/67/62/63/384676263.db2.gz LPNOEYLQBVUWGH-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO [NH3+]Cc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000082048495 384644011 /nfs/dbraw/zinc/64/40/11/384644011.db2.gz MTVXOTIZNSJKIY-UHFFFAOYSA-N 1 0 247.319 1.978 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CCC[C@@H]21 ZINC000082359763 384675723 /nfs/dbraw/zinc/67/57/23/384675723.db2.gz XEDSJRNOTLOESP-ZJUUUORDSA-N 1 0 226.320 1.748 50 0 BDAARO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021301018 384662587 /nfs/dbraw/zinc/66/25/87/384662587.db2.gz UHLAQCKNCBYTIF-JTQLQIEISA-N 1 0 228.336 1.851 50 0 BDAARO O=C(NCCc1cccc(Cl)c1)C1C[NH2+]C1 ZINC000084410981 384701844 /nfs/dbraw/zinc/70/18/44/384701844.db2.gz DQMWBOZIWQUVPT-UHFFFAOYSA-N 1 0 238.718 1.218 50 0 BDAARO C[C@H](NCC[NH+](C)C)c1nc2ccccc2n1C ZINC000022170457 384739439 /nfs/dbraw/zinc/73/94/39/384739439.db2.gz SCWUBMAAGZDGKE-NSHDSACASA-N 1 0 246.358 1.786 50 0 BDAARO Fc1ccc2c(c1)CCN2C1CC[NH2+]CC1 ZINC000144183986 384751195 /nfs/dbraw/zinc/75/11/95/384751195.db2.gz NCTCTTHDGPNVIA-UHFFFAOYSA-N 1 0 220.291 1.940 50 0 BDAARO Cc1nc(C)c(C[N@@H+](CCO)C(C)C)s1 ZINC000084062426 384755783 /nfs/dbraw/zinc/75/57/83/384755783.db2.gz FTXFEVUXLVXNNG-UHFFFAOYSA-N 1 0 228.361 1.963 50 0 BDAARO FC(F)(F)c1nnc([C@@H]2CCC[NH2+]C2)o1 ZINC000083305364 384757577 /nfs/dbraw/zinc/75/75/77/384757577.db2.gz BODYBVPVMVOJQF-RXMQYKEDSA-N 1 0 221.182 1.555 50 0 BDAARO CCc1cc(N2CC(O)(CC)C2)nc(C)n1 ZINC000084359079 384761068 /nfs/dbraw/zinc/76/10/68/384761068.db2.gz BNXOHJGXCOACNC-UHFFFAOYSA-N 1 0 221.304 1.309 50 0 BDAARO CC(C)(C)NC(=O)CN1CCc2ccccc2C1 ZINC000015254100 384765959 /nfs/dbraw/zinc/76/59/59/384765959.db2.gz YRSWJFIQYXIGBC-UHFFFAOYSA-N 1 0 246.354 1.959 50 0 BDAARO COC[C@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000126921663 384822498 /nfs/dbraw/zinc/82/24/98/384822498.db2.gz LTOHRHQKQDQRDC-NEPJUHHUSA-N 1 0 215.337 1.504 50 0 BDAARO c1cncc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000023094273 384787081 /nfs/dbraw/zinc/78/70/81/384787081.db2.gz XZATXEKZESYHKS-CYBMUJFWSA-N 1 0 217.316 1.265 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255459795 384800587 /nfs/dbraw/zinc/80/05/87/384800587.db2.gz PUVLIIJWVBZIIN-RFMOXSJOSA-N 1 0 249.289 1.041 50 0 BDAARO CC(C)n1cnnc1C[C@H]1CCC[NH2+]C1 ZINC000054498085 384840731 /nfs/dbraw/zinc/84/07/31/384840731.db2.gz BTNCLBKJYLDOIQ-SNVBAGLBSA-N 1 0 208.309 1.401 50 0 BDAARO C[C@H](O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000069950524 384865620 /nfs/dbraw/zinc/86/56/20/384865620.db2.gz ZEUCDYPLCZVJTE-ZDUSSCGKSA-N 1 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1 0 226.349 1.989 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2cccc(F)c2)C1 ZINC000255509211 385028654 /nfs/dbraw/zinc/02/86/54/385028654.db2.gz QYRKYICMJUBENM-FMFIFOJESA-N 1 0 248.301 1.789 50 0 BDAARO c1ccc2c(c1)CCC[C@H]2N1CC[NH2+]CC1 ZINC000031889610 385109261 /nfs/dbraw/zinc/10/92/61/385109261.db2.gz DLLBLNFCUXJHHV-CQSZACIVSA-N 1 0 216.328 1.969 50 0 BDAARO COC[C@@H](O)C[NH2+][C@@H](C)c1ncc(C)s1 ZINC000126124031 385212874 /nfs/dbraw/zinc/21/28/74/385212874.db2.gz BOIQJFPLRXJGRH-IUCAKERBSA-N 1 0 230.333 1.109 50 0 BDAARO CC[NH+](CC)[C@H](Cn1cnnc1)c1ccco1 ZINC000065383320 385304211 /nfs/dbraw/zinc/30/42/11/385304211.db2.gz VMQUBQMYZLQFMQ-LLVKDONJSA-N 1 0 234.303 1.954 50 0 BDAARO c1cncc(NCC[NH2+]C2CCSCC2)c1 ZINC000065428879 385310002 /nfs/dbraw/zinc/31/00/02/385310002.db2.gz JKMNUOYUQDPQGA-UHFFFAOYSA-N 1 0 237.372 1.979 50 0 BDAARO CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C)nc1 ZINC000164849228 385315918 /nfs/dbraw/zinc/31/59/18/385315918.db2.gz RTHMKTLQUWZCSZ-GFCCVEGCSA-N 1 0 221.304 1.846 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000034371235 385279960 /nfs/dbraw/zinc/27/99/60/385279960.db2.gz UPXRTDGIBOVLGV-VIFPVBQESA-N 1 0 228.336 1.899 50 0 BDAARO c1nnc(CC2CC[NH2+]CC2)n1CC1CC1 ZINC000169676387 385416973 /nfs/dbraw/zinc/41/69/73/385416973.db2.gz HZZKYXUFPVZCQR-UHFFFAOYSA-N 1 0 220.320 1.230 50 0 BDAARO C[NH+](C)C1CCN(c2ccc(C=O)nc2)CC1 ZINC000169725620 385418306 /nfs/dbraw/zinc/41/83/06/385418306.db2.gz MJYSGMKBEYUDIR-UHFFFAOYSA-N 1 0 233.315 1.425 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CCC[NH2+]CC1 ZINC000062664109 385458364 /nfs/dbraw/zinc/45/83/64/385458364.db2.gz VQLWAERZSRZFTJ-UHFFFAOYSA-N 1 0 236.290 1.570 50 0 BDAARO O=C(/C=C/c1ccco1)O[C@@H]1C[NH+]2CCC1CC2 ZINC000000548220 385491670 /nfs/dbraw/zinc/49/16/70/385491670.db2.gz BXLLWYMUFPXEET-ITDFMYJTSA-N 1 0 247.294 1.930 50 0 BDAARO CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)[C@@H](C)[NH3+] ZINC000157548706 385507802 /nfs/dbraw/zinc/50/78/02/385507802.db2.gz PTQYFNJOKSJNHQ-OUAUKWLOSA-N 1 0 242.363 1.386 50 0 BDAARO NC(=O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000052106011 385681588 /nfs/dbraw/zinc/68/15/88/385681588.db2.gz HHNSJVMUOFWACK-CYBMUJFWSA-N 1 0 232.327 1.569 50 0 BDAARO CS[C@@H](C)CNC(=O)CC1CC[NH2+]CC1 ZINC000122324872 385910299 /nfs/dbraw/zinc/91/02/99/385910299.db2.gz BTAOYBTWDGRBMO-VIFPVBQESA-N 1 0 230.377 1.244 50 0 BDAARO CCc1ccc([C@@H](O)C[NH+]2CCN(C)CC2)cc1 ZINC000019785043 385924530 /nfs/dbraw/zinc/92/45/30/385924530.db2.gz BWEYDUFUOYAFCR-HNNXBMFYSA-N 1 0 248.370 1.530 50 0 BDAARO CCC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000087315670 386108493 /nfs/dbraw/zinc/10/84/93/386108493.db2.gz YQPPXYVEADYBQE-LLVKDONJSA-N 1 0 224.348 1.825 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@](O)(C[NH3+])CC1 ZINC000263623777 386157404 /nfs/dbraw/zinc/15/74/04/386157404.db2.gz KQEYQCSBPPAXAK-OTCDBFHCSA-N 1 0 244.335 1.144 50 0 BDAARO C[C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000132255311 386230277 /nfs/dbraw/zinc/23/02/77/386230277.db2.gz BKWOYYLDBCMEQF-SKDRFNHKSA-N 1 0 236.290 1.489 50 0 BDAARO Cc1ccc(CC(=O)NCCC[NH+](C)C)cc1C ZINC000013676905 386578648 /nfs/dbraw/zinc/57/86/48/386578648.db2.gz NJQWYSSVAWFIIT-UHFFFAOYSA-N 1 0 248.370 1.914 50 0 BDAARO CC(C)(C[NH3+])C(=O)Nc1cc(F)ccc1O ZINC000335512291 386647801 /nfs/dbraw/zinc/64/78/01/386647801.db2.gz ROIOWLZLIFBNLI-UHFFFAOYSA-N 1 0 226.251 1.455 50 0 BDAARO Cc1cc(C(=O)N2CC[C@H](C[NH3+])C2)ccc1F ZINC000063058174 386663638 /nfs/dbraw/zinc/66/36/38/386663638.db2.gz SLNBZUMPLCJKRQ-SNVBAGLBSA-N 1 0 236.290 1.555 50 0 BDAARO Cc1cnccc1CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000585117078 386672737 /nfs/dbraw/zinc/67/27/37/386672737.db2.gz QKKZXAYMKLYGCD-ZDUSSCGKSA-N 1 0 247.342 1.191 50 0 BDAARO CCc1cc(N(C)Cc2noc(C)n2)nc(C)n1 ZINC000302184225 386704569 /nfs/dbraw/zinc/70/45/69/386704569.db2.gz OWLWIVQZDGHLKE-UHFFFAOYSA-N 1 0 247.302 1.675 50 0 BDAARO CCCc1nnc(NC(=O)[C@@H]2CC[NH2+]C2)s1 ZINC000150727462 386747492 /nfs/dbraw/zinc/74/74/92/386747492.db2.gz OJFGZRWIPFUMOH-SSDOTTSWSA-N 1 0 240.332 1.039 50 0 BDAARO C[C@@H]1CN(CC2CCC(F)(F)CC2)CC(=O)N1 ZINC000334785807 386847711 /nfs/dbraw/zinc/84/77/11/386847711.db2.gz BJZISHPECNBBPG-SECBINFHSA-N 1 0 246.301 1.632 50 0 BDAARO FC[C@@H]1C[N@H+](C[C@@H]2CCSC2)CCO1 ZINC000334860312 386913340 /nfs/dbraw/zinc/91/33/40/386913340.db2.gz XMFAEQHEIHZQIG-VHSXEESVSA-N 1 0 219.325 1.410 50 0 BDAARO COc1c(C)cc(CN(C)C(=O)C[NH3+])cc1C ZINC000237296973 387001451 /nfs/dbraw/zinc/00/14/51/387001451.db2.gz KXIXZFZITVWYFH-UHFFFAOYSA-N 1 0 236.315 1.229 50 0 BDAARO CCCC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000229387752 387167219 /nfs/dbraw/zinc/16/72/19/387167219.db2.gz GHZBKLXVRWQIAN-ZDUSSCGKSA-N 1 0 228.380 1.829 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1cccnc1 ZINC000237845085 387334709 /nfs/dbraw/zinc/33/47/09/387334709.db2.gz ZHSITTGUFHMRJA-YBJDMEARSA-N 1 0 245.326 1.435 50 0 BDAARO CCOCc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000072547762 387439209 /nfs/dbraw/zinc/43/92/09/387439209.db2.gz GCPVXUJVPXQWDG-CYBMUJFWSA-N 1 0 248.326 1.914 50 0 BDAARO C[C@@H](Cc1ccccc1F)[NH2+]C1(C(N)=O)CC1 ZINC000191482097 387457622 /nfs/dbraw/zinc/45/76/22/387457622.db2.gz INBYMTLWWDKFPF-VIFPVBQESA-N 1 0 236.290 1.364 50 0 BDAARO C[S@@](=O)CC[NH2+]Cc1ccc(Cl)cc1 ZINC000089493105 387639422 /nfs/dbraw/zinc/63/94/22/387639422.db2.gz CPSWFXDQDGIOGN-AWEZNQCLSA-N 1 0 231.748 1.808 50 0 BDAARO C[C@@H]([NH3+])CCC(=O)NCc1ccc(F)cc1 ZINC000069838852 387717474 /nfs/dbraw/zinc/71/74/74/387717474.db2.gz DEPVKHVZAILWDX-SECBINFHSA-N 1 0 224.279 1.569 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1cccc2c1OCO2 ZINC000036168206 387812419 /nfs/dbraw/zinc/81/24/19/387812419.db2.gz OFDOGFMYSOTOFH-JTQLQIEISA-N 1 0 223.272 1.276 50 0 BDAARO CCCNC(=O)COc1cc(C)[nH+]c(C)c1C ZINC000521396178 387918116 /nfs/dbraw/zinc/91/81/16/387918116.db2.gz PNEDNBVXOCDQOD-UHFFFAOYSA-N 1 0 236.315 1.912 50 0 BDAARO Cn1ccnc1CN1CCC[C@@](C)(F)C1 ZINC000296035739 387915436 /nfs/dbraw/zinc/91/54/36/387915436.db2.gz NOWFKDXFCJYFNF-LLVKDONJSA-N 1 0 211.284 1.744 50 0 BDAARO Cc1n[nH]cc1C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000036901688 388005873 /nfs/dbraw/zinc/00/58/73/388005873.db2.gz INFZHULEPCGNGL-CYBMUJFWSA-N 1 0 238.379 1.784 50 0 BDAARO Cc1n[nH]c(C)c1CNC1CC[NH+](C2CC2)CC1 ZINC000037141056 388169312 /nfs/dbraw/zinc/16/93/12/388169312.db2.gz ADQRDUNPVFYSBZ-UHFFFAOYSA-N 1 0 248.374 1.743 50 0 BDAARO CC(C)[N@H+](C[C@H](O)CO)C1CCCCC1 ZINC000007157502 388258499 /nfs/dbraw/zinc/25/84/99/388258499.db2.gz FAHMNDTXNHJQNT-LBPRGKRZSA-N 1 0 215.337 1.383 50 0 BDAARO Cc1ccc(C[NH2+]CC[S@@](C)=O)cc1F ZINC000089643386 388357322 /nfs/dbraw/zinc/35/73/22/388357322.db2.gz DJYSCSFYXBWULM-HNNXBMFYSA-N 1 0 229.320 1.602 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+]CC2)ccc1F ZINC000057514753 177758921 /nfs/dbraw/zinc/75/89/21/177758921.db2.gz XDJASKMNSXKESH-UHFFFAOYSA-N 1 0 222.263 1.180 50 0 BDAARO Cc1cnc(C[N@H+](CCO)C2CCCCC2)cn1 ZINC000089702244 388362329 /nfs/dbraw/zinc/36/23/29/388362329.db2.gz VCVMZCNSAYUTJK-UHFFFAOYSA-N 1 0 249.358 1.912 50 0 BDAARO O=C(CC(F)(F)F)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132901338 388372036 /nfs/dbraw/zinc/37/20/36/388372036.db2.gz OCYLWLDJVOTFAA-SFYZADRCSA-N 1 0 236.237 1.292 50 0 BDAARO CCS[C@@H]1CC[C@H]([N@H+](C)CCCO)C1 ZINC000076070214 388373198 /nfs/dbraw/zinc/37/31/98/388373198.db2.gz CUMSKDXZHWXNBC-WDEREUQCSA-N 1 0 217.378 1.975 50 0 BDAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CCCO)C1 ZINC000076070220 388373286 /nfs/dbraw/zinc/37/32/86/388373286.db2.gz CUMSKDXZHWXNBC-GHMZBOCLSA-N 1 0 217.378 1.975 50 0 BDAARO Clc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000252509913 388392522 /nfs/dbraw/zinc/39/25/22/388392522.db2.gz YYMLZTSJUJGTAD-UHFFFAOYSA-N 1 0 223.707 1.779 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(Cl)s1 ZINC000004271653 388397588 /nfs/dbraw/zinc/39/75/88/388397588.db2.gz QAZJWBOFOALBQR-UHFFFAOYSA-N 1 0 232.736 1.693 50 0 BDAARO Cc1nnc(CN2CCC[C@H]2c2cnn(C)c2)o1 ZINC000071797300 388446559 /nfs/dbraw/zinc/44/65/59/388446559.db2.gz YVLYKVZCLZPUKV-NSHDSACASA-N 1 0 247.302 1.449 50 0 BDAARO CCCCC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161112047 388454747 /nfs/dbraw/zinc/45/47/47/388454747.db2.gz NPGRIAATWHCFDQ-GHMZBOCLSA-N 1 0 228.336 1.141 50 0 BDAARO Cc1ccnc(NCCN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000067724410 388407594 /nfs/dbraw/zinc/40/75/94/388407594.db2.gz UQXVBUWTNXGLDV-GFCCVEGCSA-N 1 0 248.374 1.532 50 0 BDAARO C[NH+](C)CCNC(=O)CCc1ccccc1 ZINC000008952189 388412752 /nfs/dbraw/zinc/41/27/52/388412752.db2.gz VEVNIWBGQJFGND-UHFFFAOYSA-N 1 0 220.316 1.297 50 0 BDAARO c1csc(C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069521415 388418389 /nfs/dbraw/zinc/41/83/89/388418389.db2.gz MDBFFVIZHUBUEK-SECBINFHSA-N 1 0 234.328 1.444 50 0 BDAARO CCCC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000069847194 388427351 /nfs/dbraw/zinc/42/73/51/388427351.db2.gz GHZBKLXVRWQIAN-CYBMUJFWSA-N 1 0 228.380 1.829 50 0 BDAARO Cn1c(C[NH2+]C[C@@H]2CCCO2)nc2ccccc21 ZINC000070163032 388433809 /nfs/dbraw/zinc/43/38/09/388433809.db2.gz QSWZCMRVVXRABJ-NSHDSACASA-N 1 0 245.326 1.842 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])[nH]n1 ZINC000070378890 388436174 /nfs/dbraw/zinc/43/61/74/388436174.db2.gz KEDKFWVWTBEAIX-ONGXEEELSA-N 1 0 236.319 1.060 50 0 BDAARO C[NH2+]CC(=O)N[C@H](C)c1ccc(F)c(OC)c1 ZINC000253430657 388592812 /nfs/dbraw/zinc/59/28/12/388592812.db2.gz XMEAEPJALKYKPK-MRVPVSSYSA-N 1 0 240.278 1.231 50 0 BDAARO CCS[C@H]1CCC[C@H]1[NH2+]CC(OC)OC ZINC000233841648 388595965 /nfs/dbraw/zinc/59/59/65/388595965.db2.gz ZLRXJKWRHNIEGP-ZJUUUORDSA-N 1 0 233.377 1.869 50 0 BDAARO Cc1ccc2[nH]nc(C(=O)N3CC[C@H]([NH3+])C3)c2c1 ZINC000237863848 388595970 /nfs/dbraw/zinc/59/59/70/388595970.db2.gz KZFFTCMKAYPCAI-VIFPVBQESA-N 1 0 244.298 1.045 50 0 BDAARO Cc1cnccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237800538 388596027 /nfs/dbraw/zinc/59/60/27/388596027.db2.gz DYKXPUIBKAEWHD-NSHDSACASA-N 1 0 249.314 1.097 50 0 BDAARO C[C@@H]([NH3+])C(=O)N[C@@H](c1nccs1)C1CC1 ZINC000237314286 256860650 /nfs/dbraw/zinc/86/06/50/256860650.db2.gz VCDIAOMRQKRDCM-HTRCEHHLSA-N 1 0 225.317 1.058 50 0 BDAARO CC(C)C(C[N@H+](C)CCS(C)(=O)=O)C(C)C ZINC000330031660 388753082 /nfs/dbraw/zinc/75/30/82/388753082.db2.gz CDTQRAXXWPJWNQ-UHFFFAOYSA-N 1 0 249.420 1.891 50 0 BDAARO COC[C@@](C)(CCO)[NH2+]Cc1c(C)noc1C ZINC000079920634 388754834 /nfs/dbraw/zinc/75/48/34/388754834.db2.gz HYJNTMSHBQURFP-GFCCVEGCSA-N 1 0 242.319 1.169 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000225468033 388710134 /nfs/dbraw/zinc/71/01/34/388710134.db2.gz XXQUKYOYAFXDAJ-JTQLQIEISA-N 1 0 224.329 1.240 50 0 BDAARO CC(C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000011961470 388712110 /nfs/dbraw/zinc/71/21/10/388712110.db2.gz HCDLAJHOIWLVLK-JTQLQIEISA-N 1 0 200.326 1.522 50 0 BDAARO CCCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000095943867 388792495 /nfs/dbraw/zinc/79/24/95/388792495.db2.gz JSSWJCVEDWENGX-LLVKDONJSA-N 1 0 227.352 1.380 50 0 BDAARO CC[C@@H](C)C[NH+]1CCN(c2cccnn2)CC1 ZINC000095964870 388795397 /nfs/dbraw/zinc/79/53/97/388795397.db2.gz OOTIWUVNQJEEGS-GFCCVEGCSA-N 1 0 234.347 1.645 50 0 BDAARO Cc1c(C[NH2+][C@@H](C)C[C@H]2CCOC2)cnn1C ZINC000095975172 388797244 /nfs/dbraw/zinc/79/72/44/388797244.db2.gz WLNQOCSSZMZVBS-CMPLNLGQSA-N 1 0 237.347 1.633 50 0 BDAARO CN(C)C[C@H](O)C[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000095973158 388798422 /nfs/dbraw/zinc/79/84/22/388798422.db2.gz IAMGDXXNAFVQHI-CHWSQXEVSA-N 1 0 242.407 1.715 50 0 BDAARO C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCO ZINC000096009136 388803916 /nfs/dbraw/zinc/80/39/16/388803916.db2.gz GCUJBNIVAOTURQ-UHTWSYAYSA-N 1 0 205.301 1.761 50 0 BDAARO CO[C@H]1CCC[N@H+](Cc2cnoc2C)C1 ZINC000128492268 388764360 /nfs/dbraw/zinc/76/43/60/388764360.db2.gz NVWFZINGUZKRNE-NSHDSACASA-N 1 0 210.277 1.594 50 0 BDAARO CC(C)C(=O)N1CC[C@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC000095402498 388765986 /nfs/dbraw/zinc/76/59/86/388765986.db2.gz UFKZREJRNBWRPL-AAEUAGOBSA-N 1 0 238.375 1.879 50 0 BDAARO O=C1CCCN1C[C@@H]1CCCC[N@@H+]1CC1CC1 ZINC000095418515 388767615 /nfs/dbraw/zinc/76/76/15/388767615.db2.gz NCEKXAFKTSITPG-ZDUSSCGKSA-N 1 0 236.359 1.873 50 0 BDAARO CC[C@@H](C(=O)Nc1cc(C)ns1)[NH+](C)C ZINC000095436789 388771836 /nfs/dbraw/zinc/77/18/36/388771836.db2.gz NYWOHPRETVJKHM-QMMMGPOBSA-N 1 0 227.333 1.730 50 0 BDAARO C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CCCOC1 ZINC000095468516 388774396 /nfs/dbraw/zinc/77/43/96/388774396.db2.gz DMGVYWFEIWNYTB-QWHCGFSZSA-N 1 0 237.347 1.678 50 0 BDAARO CC(C)(C)[NH2+]CCNC(=O)CCc1cccnc1 ZINC000096418538 388818478 /nfs/dbraw/zinc/81/84/78/388818478.db2.gz NPHPVHLEIZUAIH-UHFFFAOYSA-N 1 0 249.358 1.519 50 0 BDAARO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccn(C)c1 ZINC000097236863 388835467 /nfs/dbraw/zinc/83/54/67/388835467.db2.gz KFKXRQQBNCEDNB-CQSZACIVSA-N 1 0 235.375 1.797 50 0 BDAARO Cc1ccc(F)c(N2CCC[C@H]([NH3+])C2=O)c1 ZINC000068575113 132389882 /nfs/dbraw/zinc/38/98/82/132389882.db2.gz OKSWAKJMROVEPW-JTQLQIEISA-N 1 0 222.263 1.588 50 0 BDAARO Fc1ccc2nccc(N3CC[NH2+]CC3)c2c1 ZINC000002548531 132238598 /nfs/dbraw/zinc/23/85/98/132238598.db2.gz JQPCJWGZIRIHPY-UHFFFAOYSA-N 1 0 231.274 1.784 50 0 BDAARO c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)nc1 ZINC000264832891 132304558 /nfs/dbraw/zinc/30/45/58/132304558.db2.gz IFHUKUKTYQUIAK-LBPRGKRZSA-N 1 0 217.316 1.756 50 0 BDAARO CN1CCc2[nH+]c3c(c(N)c2C1)CCCN3C ZINC000000507501 132313745 /nfs/dbraw/zinc/31/37/45/132313745.db2.gz GERYXRXAODVZGA-UHFFFAOYSA-N 1 0 232.331 1.034 50 0 BDAARO FC(F)(F)c1cccnc1N1CC[NH2+]CC1 ZINC000002159227 132314835 /nfs/dbraw/zinc/31/48/35/132314835.db2.gz FRFKCMNQNNNZNO-UHFFFAOYSA-N 1 0 231.221 1.510 50 0 in-vitro BDAARO c1cc2c(ncnc2N2CC[NH2+]CC2)s1 ZINC000012954996 132321607 /nfs/dbraw/zinc/32/16/07/132321607.db2.gz HFGUINASBGDWLY-UHFFFAOYSA-N 1 0 220.301 1.101 50 0 in-vivo BDAARO O=Cc1cccc(F)c1N1CC[NH2+]CC1 ZINC000014628778 132322786 /nfs/dbraw/zinc/32/27/86/132322786.db2.gz KXYNXHSKLHDOMC-UHFFFAOYSA-N 1 0 208.236 1.048 50 0 BDAARO c1ccc2c(c1)ccnc2N1CC[NH2+]CC1 ZINC000026898944 132333963 /nfs/dbraw/zinc/33/39/63/132333963.db2.gz IDFYLSABDUMICK-UHFFFAOYSA-N 1 0 213.284 1.644 50 0 in-vivo BDAARO c1cc2cc(N3CC[NH2+]CC3)ccc2[nH]1 ZINC000066055240 132390250 /nfs/dbraw/zinc/39/02/50/132390250.db2.gz MZILCLREQQTZJP-UHFFFAOYSA-N 1 0 201.273 1.578 50 0 BDAARO Cc1cc(Cl)cc(N2CC[NH2+]CC2)n1 ZINC000071789037 132395631 /nfs/dbraw/zinc/39/56/31/132395631.db2.gz QVZOHBHYRUUDBX-UHFFFAOYSA-N 1 0 211.696 1.453 50 0 BDAARO COC(=O)CCC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000234528797 134579632 /nfs/dbraw/zinc/57/96/32/134579632.db2.gz IJWPMOZAUYWHEL-ONGXEEELSA-N 1 0 215.293 1.097 50 0 BDAARO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC000249318491 135043218 /nfs/dbraw/zinc/04/32/18/135043218.db2.gz PPTRFPMRCBHLQQ-UPJWGTAASA-N 1 0 238.375 1.975 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000252552199 135092636 /nfs/dbraw/zinc/09/26/36/135092636.db2.gz QDKBVOPWMUJSEI-MQYQWHSLSA-N 1 0 240.391 1.731 50 0 BDAARO CCC([NH3+])(CC)CNC(=O)c1ccccc1 ZINC000079427296 135321168 /nfs/dbraw/zinc/32/11/68/135321168.db2.gz PGFTZNCTFAFCOP-UHFFFAOYSA-N 1 0 220.316 1.934 50 0 BDAARO CC1(C(N)=O)C[NH+](CC2CC(F)(F)C2)C1 ZINC000335394788 136092049 /nfs/dbraw/zinc/09/20/49/136092049.db2.gz JUTQMDUGMCQQHI-UHFFFAOYSA-N 1 0 218.247 1.889 50 0 BDAARO C[NH+](C)CCSC(=S)N1CCCC1 ZINC000004740856 397793055 /nfs/dbraw/zinc/79/30/55/397793055.db2.gz XAINKOKLCZLCEB-UHFFFAOYSA-N 1 0 218.391 1.662 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1cnc2onc(C)c2c1 ZINC000170049098 397965790 /nfs/dbraw/zinc/96/57/90/397965790.db2.gz LLDBKSKICLNVJI-VIFPVBQESA-N 1 0 234.259 1.207 50 0 BDAARO Cc1n[nH]cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000037155860 397992388 /nfs/dbraw/zinc/99/23/88/397992388.db2.gz LTJMABAOHZRTMN-SECBINFHSA-N 1 0 219.292 1.093 50 0 BDAARO Cc1ccsc1C[N@@H+](CC(N)=O)C(C)C ZINC000071824966 398018751 /nfs/dbraw/zinc/01/87/51/398018751.db2.gz RLKBCUQBUUTDBL-UHFFFAOYSA-N 1 0 226.345 1.752 50 0 BDAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ncnn2C)C1(C)C ZINC000181840675 398042747 /nfs/dbraw/zinc/04/27/47/398042747.db2.gz FWICURKQOKOFBM-VHSXEESVSA-N 1 0 238.335 1.108 50 0 BDAARO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040089038 398076325 /nfs/dbraw/zinc/07/63/25/398076325.db2.gz MGTPZEGFFWIFPK-CQSZACIVSA-N 1 0 232.327 1.787 50 0 BDAARO COC(=O)[C@H](C)N(Cc1cncnc1)C1CCC1 ZINC000191643981 398081621 /nfs/dbraw/zinc/08/16/21/398081621.db2.gz CWGKMFDSNDUQOI-JTQLQIEISA-N 1 0 249.314 1.393 50 0 BDAARO CC(C)[NH2+]CCN[C@H]1CCC[C@@]1(C)CO ZINC000253393544 167107414 /nfs/dbraw/zinc/10/74/14/167107414.db2.gz HESKUXBLJCRNJM-RYUDHWBXSA-N 1 0 214.353 1.125 50 0 BDAARO CSCC[C@H](CO)[NH2+][C@@H]1CCCSC1 ZINC000097084639 175507245 /nfs/dbraw/zinc/50/72/45/175507245.db2.gz ZGOUXWWBODZQFY-NXEZZACHSA-N 1 0 235.418 1.586 50 0 BDAARO CC(C)Oc1cccc(CC[NH2+][C@@H](C)CO)c1 ZINC000065370849 167305538 /nfs/dbraw/zinc/30/55/38/167305538.db2.gz SYCPLADPOYLGCG-LBPRGKRZSA-N 1 0 237.343 1.987 50 0 BDAARO Brc1cccc([C@@H]2C[NH2+]CCN2)c1 ZINC000038531554 166101943 /nfs/dbraw/zinc/10/19/43/166101943.db2.gz KOGWBQXWQJLZEN-JTQLQIEISA-N 1 0 241.132 1.683 50 0 BDAARO C(=C\c1ccccc1)\CN1CC[NH2+]CC1 ZINC000022864147 166228482 /nfs/dbraw/zinc/22/84/82/166228482.db2.gz WGEIOMTZIIOUMA-DAXSKMNVSA-N 1 0 202.301 1.605 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)COC1CCCC1 ZINC000016648618 166633471 /nfs/dbraw/zinc/63/34/71/166633471.db2.gz TXWLCOUQZDIBGN-SNVBAGLBSA-N 1 0 215.337 1.695 50 0 BDAARO O=C(NCC[NH+]1CC=CC1)Nc1ccncc1 ZINC000101397272 410769324 /nfs/dbraw/zinc/76/93/24/410769324.db2.gz UNMSDIWONPBVNA-UHFFFAOYSA-N 1 0 232.287 1.075 50 0 BDAARO CC(C)C[NH2+]C[C@@H](O)COC1CCCC1 ZINC000008844681 167007222 /nfs/dbraw/zinc/00/72/22/167007222.db2.gz DMOPHZYGCHJAKR-LLVKDONJSA-N 1 0 215.337 1.552 50 0 BDAARO CC(C)C[NH2+]Cc1ccc(OCCO)cc1 ZINC000012382292 167010350 /nfs/dbraw/zinc/01/03/50/167010350.db2.gz HUPBWKKWMHUZDD-UHFFFAOYSA-N 1 0 223.316 1.803 50 0 BDAARO CC(C)[N@@H+]1Cc2cccc(NCCO)c2C1 ZINC000096009486 167034536 /nfs/dbraw/zinc/03/45/36/167034536.db2.gz MLFPBXCJXSTFIP-UHFFFAOYSA-N 1 0 220.316 1.815 50 0 BDAARO CC(C)NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000032652057 167054677 /nfs/dbraw/zinc/05/46/77/167054677.db2.gz MEIFIRYMCCHMPB-GHMZBOCLSA-N 1 0 212.337 1.489 50 0 BDAARO CC(C)NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000071856581 167071066 /nfs/dbraw/zinc/07/10/66/167071066.db2.gz CYTYIOWUALLTMD-UHFFFAOYSA-N 1 0 227.352 1.568 50 0 BDAARO CC(C)OC[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000225718001 167256565 /nfs/dbraw/zinc/25/65/65/167256565.db2.gz GARZSNNVODULDG-GHMZBOCLSA-N 1 0 233.377 1.258 50 0 BDAARO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)C(C)(C)C(F)F ZINC000658033961 411209015 /nfs/dbraw/zinc/20/90/15/411209015.db2.gz JOOKQDYBXVAYMD-RKDXNWHRSA-N 1 0 248.317 1.782 50 0 BDAARO CC12CN3CC(C)(CN(C1)C3c1ccco1)C2[NH3+] ZINC000019331530 168074412 /nfs/dbraw/zinc/07/44/12/168074412.db2.gz YGMXXIFKMKCFSW-UHFFFAOYSA-N 1 0 247.342 1.263 50 0 biogenic BDAARO CC1(c2nc([C@@H]3CCOC3)no2)CC[NH2+]CC1 ZINC000087804002 168074435 /nfs/dbraw/zinc/07/44/35/168074435.db2.gz GJJMTLMTEWDERZ-SECBINFHSA-N 1 0 237.303 1.215 50 0 BDAARO CC1=C(C)[N+](=O)[C@@H]2N(N1)C(=S)SC2(C)C ZINC000005442865 168135582 /nfs/dbraw/zinc/13/55/82/168135582.db2.gz VAKPQLPMCXSXFJ-ZETCQYMHSA-N 1 0 243.357 1.786 50 0 BDAARO CC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000004287451 168170709 /nfs/dbraw/zinc/17/07/09/168170709.db2.gz MDXOMBYJWBMJGY-UHFFFAOYSA-N 1 0 210.321 1.245 50 0 BDAARO CC1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000004287444 168175647 /nfs/dbraw/zinc/17/56/47/168175647.db2.gz WKILQTXHVFGERV-NSHDSACASA-N 1 0 210.321 1.245 50 0 BDAARO CC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000032668148 168177180 /nfs/dbraw/zinc/17/71/80/168177180.db2.gz MOINFYJKWQFADH-UHFFFAOYSA-N 1 0 224.348 1.731 50 0 BDAARO CC1CC[NH+](CCNC(=O)c2ccoc2)CC1 ZINC000044941599 168181605 /nfs/dbraw/zinc/18/16/05/168181605.db2.gz WSSDDFIVSIGMQO-UHFFFAOYSA-N 1 0 236.315 1.741 50 0 BDAARO CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000036079467 168231767 /nfs/dbraw/zinc/23/17/67/168231767.db2.gz AQFAVZHGWYDIEZ-VIFPVBQESA-N 1 0 226.345 1.877 50 0 BDAARO CC[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000003282512 170109648 /nfs/dbraw/zinc/10/96/48/170109648.db2.gz JWIMOEHRTJKXCY-UHFFFAOYSA-N 1 0 235.287 1.193 50 0 BDAARO CC[NH2+]Cc1nc(-c2cccs2)no1 ZINC000016650168 170130601 /nfs/dbraw/zinc/13/06/01/170130601.db2.gz QTGNPVVCZAWANT-UHFFFAOYSA-N 1 0 209.274 1.908 50 0 BDAARO CC[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000049647784 170167460 /nfs/dbraw/zinc/16/74/60/170167460.db2.gz ZYMYDOGLNPBVHI-NSHDSACASA-N 1 0 204.273 1.401 50 0 BDAARO CCOC(=O)CN1CCC([NH+](CC)CC)CC1 ZINC000069485840 170219560 /nfs/dbraw/zinc/21/95/60/170219560.db2.gz OWYBHBKFGCOTDS-UHFFFAOYSA-N 1 0 242.363 1.356 50 0 BDAARO CCOC(=O)CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000002466060 170225716 /nfs/dbraw/zinc/22/57/16/170225716.db2.gz LYOCGRHAULONIL-UHFFFAOYSA-N 1 0 242.363 1.448 50 0 BDAARO CCOC(=O)NCCCC[NH+]1CCCCC1 ZINC000041569461 170241951 /nfs/dbraw/zinc/24/19/51/170241951.db2.gz UQYLZEDBWXRJJC-UHFFFAOYSA-N 1 0 228.336 1.999 50 0 BDAARO CCOC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000066323363 170259255 /nfs/dbraw/zinc/25/92/55/170259255.db2.gz JASVXEYIDKFYPJ-QWHCGFSZSA-N 1 0 233.311 1.895 50 0 BDAARO C=C1C(C(=O)OCC)[N+](=O)c2ccccc2N1O ZINC000103686915 170288336 /nfs/dbraw/zinc/28/83/36/170288336.db2.gz YINKQZVWFXTGRE-UHFFFAOYSA-N 1 0 249.246 1.278 50 0 BDAARO CCOC(=O)c1ccn(-c2cccc(C[NH3+])c2)n1 ZINC000170091682 170300024 /nfs/dbraw/zinc/30/00/24/170300024.db2.gz QRUPEDJTMSBBPB-UHFFFAOYSA-N 1 0 245.282 1.508 50 0 BDAARO CCOCCCO[C@@H](C[NH3+])Cc1ccccc1 ZINC000014628619 170383841 /nfs/dbraw/zinc/38/38/41/170383841.db2.gz VSICIGKEHOHMAM-CQSZACIVSA-N 1 0 237.343 2.000 50 0 BDAARO CCOCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069529047 170397459 /nfs/dbraw/zinc/39/74/59/170397459.db2.gz SYZIZCPHXXZKHZ-CQSZACIVSA-N 1 0 240.391 1.973 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@H]1[C@H](O)CC ZINC000071920056 170397893 /nfs/dbraw/zinc/39/78/93/170397893.db2.gz ZHHJFRXPADBSCU-NWDGAFQWSA-N 1 0 215.337 1.648 50 0 BDAARO CC[N@@H+]1CCCC[C@@H]1CNc1nccnc1F ZINC000521398364 411629352 /nfs/dbraw/zinc/62/93/52/411629352.db2.gz AVHIXDVDLXNOIZ-SNVBAGLBSA-N 1 0 238.310 1.902 50 0 BDAARO CC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882241 171576038 /nfs/dbraw/zinc/57/60/38/171576038.db2.gz XKEAZZUURSLRJE-AXFHLTTASA-N 1 0 211.309 1.193 50 0 BDAARO CCn1c(SC)nnc1[C@@H]1CCC[NH2+]1 ZINC000013564623 172147610 /nfs/dbraw/zinc/14/76/10/172147610.db2.gz QICCVGAIMBPQCT-ZETCQYMHSA-N 1 0 212.322 1.444 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069697653 172366289 /nfs/dbraw/zinc/36/62/89/172366289.db2.gz LVLCJAQKJKGTEB-ZDUSSCGKSA-N 1 0 232.327 1.564 50 0 BDAARO C[NH+](C)C(C)(C)CNC(=O)/C=C/c1cccnc1 ZINC000043108803 172394236 /nfs/dbraw/zinc/39/42/36/172394236.db2.gz AFPNFBVTXOUXNU-BQYQJAHWSA-N 1 0 247.342 1.551 50 0 BDAARO C[NH+](C)CC[C@@](C)(O)Cc1ccccc1 ZINC000000034810 172476418 /nfs/dbraw/zinc/47/64/18/172476418.db2.gz KXQRGNJVCRDPDN-CYBMUJFWSA-N 1 0 207.317 1.932 50 0 BDAARO C[NH+]1CCC(CCC(=O)NC2CC2)CC1 ZINC000011873074 172984314 /nfs/dbraw/zinc/98/43/14/172984314.db2.gz NOKFMOWTZSPEKO-UHFFFAOYSA-N 1 0 210.321 1.387 50 0 BDAARO CN1CCC[N@H+](C[C@H]2CC=CCC2)CC1 ZINC000019634145 173018236 /nfs/dbraw/zinc/01/82/36/173018236.db2.gz VIWKCHMQDWOSKF-ZDUSSCGKSA-N 1 0 208.349 1.980 50 0 BDAARO C[NH+]1CCN(Cc2cc(F)ccc2F)CC1 ZINC000019609033 173087523 /nfs/dbraw/zinc/08/75/23/173087523.db2.gz SOAGAGYAVVCTMN-UHFFFAOYSA-N 1 0 226.270 1.712 50 0 BDAARO C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000062184036 173088609 /nfs/dbraw/zinc/08/86/09/173088609.db2.gz NXNCSOWZLAPYDI-UHFFFAOYSA-N 1 0 206.289 1.140 50 0 BDAARO CN1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000019637071 173095143 /nfs/dbraw/zinc/09/51/43/173095143.db2.gz PRMGEWMBNKDHKA-HNNXBMFYSA-N 1 0 230.355 1.791 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000071908405 173274194 /nfs/dbraw/zinc/27/41/94/173274194.db2.gz UMBSILQZRHAKFN-NSHDSACASA-N 1 0 212.337 1.491 50 0 BDAARO C[NH2+]C1CCN([C@@H](C)c2ccccn2)CC1 ZINC000037483651 173324103 /nfs/dbraw/zinc/32/41/03/173324103.db2.gz VNPQVLANRVGRCY-NSHDSACASA-N 1 0 219.332 1.826 50 0 BDAARO C[NH2+]CC(=O)Nc1ccc2nc(C)sc2c1 ZINC000037015888 173334297 /nfs/dbraw/zinc/33/42/97/173334297.db2.gz JMYARUMVEBATNC-UHFFFAOYSA-N 1 0 235.312 1.763 50 0 BDAARO C[NH2+]CCCNC(=O)c1nc2ccccc2s1 ZINC000022473341 173348728 /nfs/dbraw/zinc/34/87/28/173348728.db2.gz USRXUCVPWCMYSS-UHFFFAOYSA-N 1 0 249.339 1.636 50 0 BDAARO C[NH2+]C[C@@H](C)CNC(=O)c1ccoc1C ZINC000132648935 173363930 /nfs/dbraw/zinc/36/39/30/173363930.db2.gz PJROKRSGUFXNNL-MRVPVSSYSA-N 1 0 210.277 1.173 50 0 BDAARO C[NH2+]C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000019864760 173365911 /nfs/dbraw/zinc/36/59/11/173365911.db2.gz BYKGDONZKFTWKH-MRVPVSSYSA-N 1 0 249.232 1.665 50 0 BDAARO C[NH2+]C[C@H](O)COc1ccc(Cl)c(C)c1 ZINC000000227602 173376811 /nfs/dbraw/zinc/37/68/11/173376811.db2.gz PMNMWNIKKYAVDP-VIFPVBQESA-N 1 0 229.707 1.608 50 0 BDAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000071144031 173380681 /nfs/dbraw/zinc/38/06/81/173380681.db2.gz KPTZBEITCOCPAC-CYBMUJFWSA-N 1 0 246.354 1.985 50 0 BDAARO C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000064033603 173382419 /nfs/dbraw/zinc/38/24/19/173382419.db2.gz CNCPNEYAICYKCN-ZDUSSCGKSA-N 1 0 220.316 1.107 50 0 BDAARO C[NH2+]Cc1ccc(OC)c2ncccc12 ZINC000019088239 173389022 /nfs/dbraw/zinc/38/90/22/173389022.db2.gz PBQJRKNTVWCJKJ-UHFFFAOYSA-N 1 0 202.257 1.963 50 0 BDAARO COC(=O)CC1CC[NH+](C2CCOCC2)CC1 ZINC000020220495 173525006 /nfs/dbraw/zinc/52/50/06/173525006.db2.gz CGBWTCPQCJMNRJ-UHFFFAOYSA-N 1 0 241.331 1.441 50 0 BDAARO COC1CCN(C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000081003021 174028353 /nfs/dbraw/zinc/02/83/53/174028353.db2.gz KXAONAVGWIVBAM-LBPRGKRZSA-N 1 0 226.364 1.629 50 0 BDAARO COCCC[NH2+]CCOc1ccc(C)cc1 ZINC000019738575 174246829 /nfs/dbraw/zinc/24/68/29/174246829.db2.gz OTSDFBLQESXQMF-UHFFFAOYSA-N 1 0 223.316 2.000 50 0 BDAARO COCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000075897941 174283163 /nfs/dbraw/zinc/28/31/63/174283163.db2.gz PAROBHQWJUAYKU-CYBMUJFWSA-N 1 0 223.316 1.688 50 0 BDAARO COCC[NH+]1CCC(CNC(=O)C(C)C)CC1 ZINC000023014298 174305238 /nfs/dbraw/zinc/30/52/38/174305238.db2.gz YHPHNZNBTWFERI-UHFFFAOYSA-N 1 0 242.363 1.117 50 0 BDAARO COCC[N@@H+]1CC[C@H](OC(C)=O)[C@@H](C)[C@H]1C ZINC000004127448 174316298 /nfs/dbraw/zinc/31/62/98/174316298.db2.gz IJRVCTCXVNZQPX-UMNHJUIQSA-N 1 0 229.320 1.295 50 0 BDAARO COCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000002499243 174330238 /nfs/dbraw/zinc/33/02/38/174330238.db2.gz CZHMLRZRFASPTC-UHFFFAOYSA-N 1 0 248.370 1.887 50 0 BDAARO COCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000237306562 174331977 /nfs/dbraw/zinc/33/19/77/174331977.db2.gz ULZBLAOVQLIGPQ-NEPJUHHUSA-N 1 0 242.363 1.165 50 0 BDAARO COCc1noc(C[NH2+][C@@H]2CCCC2(C)C)n1 ZINC000191869478 174649869 /nfs/dbraw/zinc/64/98/69/174649869.db2.gz SVMWYCQKVZPMBS-SECBINFHSA-N 1 0 239.319 1.884 50 0 BDAARO COc1cc2c(cc1OC)CC[N+](C)=C2 ZINC000001665746 175024756 /nfs/dbraw/zinc/02/47/56/175024756.db2.gz AWOUIWVQSFMVNU-UHFFFAOYSA-N 1 0 206.265 1.321 50 0 biogenic,in-vitro BDAARO COc1cc2c(cc1OC)[C@@H](O)C(C)(C)[NH2+]C2 ZINC000023550237 175025138 /nfs/dbraw/zinc/02/51/38/175025138.db2.gz OTJZEONTGAKROU-GFCCVEGCSA-N 1 0 237.299 1.619 50 0 BDAARO COc1ccc(-c2cc(NN)[nH+]c(C)n2)cc1 ZINC000045918609 175032651 /nfs/dbraw/zinc/03/26/51/175032651.db2.gz YOAACGVNQVABOL-UHFFFAOYSA-N 1 0 230.271 1.746 50 0 BDAARO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000127256008 175062222 /nfs/dbraw/zinc/06/22/22/175062222.db2.gz QLBRELIKDGOJLP-SNVBAGLBSA-N 1 0 234.299 1.095 50 0 BDAARO COc1ccc(CCCNC(N)=[NH2+])cc1Cl ZINC000001813734 175089160 /nfs/dbraw/zinc/08/91/60/175089160.db2.gz PPWAEDBTEIKPDB-UHFFFAOYSA-N 1 0 241.722 1.764 50 0 BDAARO COc1ccc(CO[C@@H]2CC[NH2+]C2)cc1 ZINC000048895438 175114286 /nfs/dbraw/zinc/11/42/86/175114286.db2.gz NWRUVYODKGRQQN-GFCCVEGCSA-N 1 0 207.273 1.574 50 0 BDAARO COc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000004298637 175146642 /nfs/dbraw/zinc/14/66/42/175146642.db2.gz PULFEDZGBMBXBR-LLVKDONJSA-N 1 0 220.272 1.386 50 0 BDAARO COc1ccc(N[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000225405599 175153714 /nfs/dbraw/zinc/15/37/14/175153714.db2.gz HNWIKAZDULCWRD-CMPLNLGQSA-N 1 0 235.331 1.842 50 0 BDAARO COc1cccc(CCCNC(=O)[C@@H](C)[NH3+])c1 ZINC000158185287 175252243 /nfs/dbraw/zinc/25/22/43/175252243.db2.gz YIYAWNDTPZKRJG-SNVBAGLBSA-N 1 0 236.315 1.091 50 0 BDAARO COc1cccc(CN2CC[NH2+]CCC2=O)c1 ZINC000042784338 175258846 /nfs/dbraw/zinc/25/88/46/175258846.db2.gz GPPMZMQNUTVXQW-UHFFFAOYSA-N 1 0 234.299 1.017 50 0 BDAARO COc1cccc(C[NH2+]C[C@H](C)O)c1OC ZINC000000249562 175264982 /nfs/dbraw/zinc/26/49/82/175264982.db2.gz KQOPFKSHQYCYNR-VIFPVBQESA-N 1 0 225.288 1.174 50 0 BDAARO COc1cccc(COC[C@@H]2CC[NH2+]C2)c1 ZINC000042773997 175269971 /nfs/dbraw/zinc/26/99/71/175269971.db2.gz RMDVNJMCCQKXDO-GFCCVEGCSA-N 1 0 221.300 1.821 50 0 BDAARO COc1cccc([C@@H]([NH3+])CN2CCCC2)c1 ZINC000019821394 175289074 /nfs/dbraw/zinc/28/90/74/175289074.db2.gz RBKOKRWDNKXXHB-ZDUSSCGKSA-N 1 0 220.316 1.791 50 0 BDAARO COc1cccc([C@H]2C[NH2+]CCN2C)c1 ZINC000020268288 175295582 /nfs/dbraw/zinc/29/55/82/175295582.db2.gz MYQFVCUGJCCAJB-GFCCVEGCSA-N 1 0 206.289 1.271 50 0 BDAARO COc1ccccc1CC[N@H+](C)[C@H]1CCNC1=O ZINC000083861098 175322715 /nfs/dbraw/zinc/32/27/15/175322715.db2.gz OLBKJXDCKVHUSU-LBPRGKRZSA-N 1 0 248.326 1.058 50 0 BDAARO COc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000011727384 175327172 /nfs/dbraw/zinc/32/71/72/175327172.db2.gz QKGZWLIROBNKIK-LBPRGKRZSA-N 1 0 221.300 1.652 50 0 BDAARO C[C@@H](CCn1cccn1)[NH2+]C1CCOCC1 ZINC000134623840 175688267 /nfs/dbraw/zinc/68/82/67/175688267.db2.gz RCPMLSDWDVRXNN-NSHDSACASA-N 1 0 223.320 1.430 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc(F)cc1F ZINC000135234445 175708883 /nfs/dbraw/zinc/70/88/83/175708883.db2.gz OLTDREHJJZYIGG-QMMMGPOBSA-N 1 0 242.269 1.313 50 0 BDAARO C[C@@H]([NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000110647117 175801732 /nfs/dbraw/zinc/80/17/32/175801732.db2.gz ACHKJWIXQAMFSJ-LLVKDONJSA-N 1 0 232.327 1.886 50 0 BDAARO C[C@@H](c1ccccc1)N1CCN(C(N)=[NH2+])CC1 ZINC000024866413 176021687 /nfs/dbraw/zinc/02/16/87/176021687.db2.gz YGMZCRUWWJWTJQ-NSHDSACASA-N 1 0 232.331 1.259 50 0 BDAARO C[C@@H]1CCCCN1CC[NH2+]Cc1cncn1C ZINC000237681037 176071472 /nfs/dbraw/zinc/07/14/72/176071472.db2.gz FAYXTMBJPNHLGN-GFCCVEGCSA-N 1 0 236.363 1.384 50 0 BDAARO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000097108398 176076616 /nfs/dbraw/zinc/07/66/16/176076616.db2.gz WVNLXVGHATYAGL-UTUOFQBUSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@H](CO)C1 ZINC000097372970 176084591 /nfs/dbraw/zinc/08/45/91/176084591.db2.gz SVLQQXIJPAJIMQ-AGIUHOORSA-N 1 0 227.348 1.506 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000019515418 176093650 /nfs/dbraw/zinc/09/36/50/176093650.db2.gz UCMNLKPYMLZNLP-OCCSQVGLSA-N 1 0 246.354 1.815 50 0 BDAARO C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040461072 176096333 /nfs/dbraw/zinc/09/63/33/176096333.db2.gz OGHGHPZBORJKGP-NEPJUHHUSA-N 1 0 240.347 1.014 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C=O)CC2)C1 ZINC000000220370 176120834 /nfs/dbraw/zinc/12/08/34/176120834.db2.gz NZYWGSAPGWWQQO-VXGBXAGGSA-N 1 0 210.321 1.339 50 0 BDAARO C[C@@H]1CCC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000019637508 176143541 /nfs/dbraw/zinc/14/35/41/176143541.db2.gz OLZAXJVRHIMHKT-OLZOCXBDSA-N 1 0 226.364 1.487 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C[C@H]1C ZINC000253369275 176232751 /nfs/dbraw/zinc/23/27/51/176232751.db2.gz ANKKXYNZXLKOTE-WZRBSPASSA-N 1 0 238.375 1.927 50 0 BDAARO C[C@@H]1CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC(C)(C)O1 ZINC000091549102 176258419 /nfs/dbraw/zinc/25/84/19/176258419.db2.gz COINJEAYFFAZPR-VWYCJHECSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H]1C[N@H+](CCn2ccnc2)CCC1(F)F ZINC000289844184 176296697 /nfs/dbraw/zinc/29/66/97/176296697.db2.gz PHWTZJBJIRVWTA-SNVBAGLBSA-N 1 0 229.274 1.860 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)OCc1ccccc1 ZINC000002513941 176325543 /nfs/dbraw/zinc/32/55/43/176325543.db2.gz KKBYAYOFCRJQQT-LLVKDONJSA-N 1 0 234.299 1.617 50 0 BDAARO C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2[NH2+]1 ZINC000020285684 176408487 /nfs/dbraw/zinc/40/84/87/176408487.db2.gz XWFWZDUHQMTADY-BBBLOLIVSA-N 1 0 226.320 1.604 50 0 BDAARO C[C@H](CO)[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095420764 176706440 /nfs/dbraw/zinc/70/64/40/176706440.db2.gz OTHBWZCSLCVBSI-ZWNOBZJWSA-N 1 0 237.368 1.987 50 0 BDAARO C[C@H](Cc1ccccc1F)[NH2+]Cc1ncnn1C ZINC000188095366 176725445 /nfs/dbraw/zinc/72/54/45/176725445.db2.gz INDKRQOSAZPUPV-SNVBAGLBSA-N 1 0 248.305 1.675 50 0 BDAARO C[C@H]([NH2+]CCn1cccn1)C1CCOCC1 ZINC000089514699 176855410 /nfs/dbraw/zinc/85/54/10/176855410.db2.gz UFHHPMLCDKOTKZ-NSHDSACASA-N 1 0 223.320 1.288 50 0 BDAARO C[C@H](NS(=O)(=O)C1CC1)C(C)(C)C[NH+](C)C ZINC000075110001 176884734 /nfs/dbraw/zinc/88/47/34/176884734.db2.gz WWVMMOOGPGKMKB-VIFPVBQESA-N 1 0 248.392 1.045 50 0 BDAARO C[C@H](O)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000096485273 177014926 /nfs/dbraw/zinc/01/49/26/177014926.db2.gz JEVHLBXGBCKQKP-SRVKXCTJSA-N 1 0 213.321 1.116 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000019410856 177072884 /nfs/dbraw/zinc/07/28/84/177072884.db2.gz VMMVKFDXSFIKOX-WDEREUQCSA-N 1 0 210.321 1.387 50 0 BDAARO C[C@H]1CCCC[C@@H]1[N@H+](C)CCC(=O)NC(N)=O ZINC000032777670 177080932 /nfs/dbraw/zinc/08/09/32/177080932.db2.gz ZHAZFLOPOPVTSD-UWVGGRQHSA-N 1 0 241.335 1.082 50 0 BDAARO C[C@H]1CCCC[C@@H]1OCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000237545946 177083680 /nfs/dbraw/zinc/08/36/80/177083680.db2.gz KYNCUGOBBODYQY-TUAOUCFPSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000032668117 177088138 /nfs/dbraw/zinc/08/81/38/177088138.db2.gz ALDKSOPRCFWEIR-NWDGAFQWSA-N 1 0 224.348 1.777 50 0 BDAARO C[C@H]1CCCC[C@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC000097163488 177088645 /nfs/dbraw/zinc/08/86/45/177088645.db2.gz MYUBUYJMUYMNBT-WDEREUQCSA-N 1 0 248.392 1.046 50 0 BDAARO C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000019515420 177093808 /nfs/dbraw/zinc/09/38/08/177093808.db2.gz UCMNLKPYMLZNLP-JSGCOSHPSA-N 1 0 246.354 1.815 50 0 BDAARO C[C@H]1CC[N@H+](CC2CC(F)(F)C2)[C@@H]1CO ZINC000334579018 177158352 /nfs/dbraw/zinc/15/83/52/177158352.db2.gz NIDJZPNUIOLXPR-WCBMZHEXSA-N 1 0 219.275 1.734 50 0 BDAARO C[C@@H]1CC/C(=C\C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)C1 ZINC000328596529 177210895 /nfs/dbraw/zinc/21/08/95/177210895.db2.gz ZZEARNNGQWSEDS-KBRUHMMKSA-N 1 0 236.359 1.942 50 0 BDAARO C[C@H]1CN(C(=O)/C=C/c2cccc(F)c2)CC[NH2+]1 ZINC000237635316 177211305 /nfs/dbraw/zinc/21/13/05/177211305.db2.gz FSOZLEKVLBNFQN-QRGHLMKCSA-N 1 0 248.301 1.659 50 0 BDAARO C[C@H]1CN(C(=O)c2ccccc2)CC[NH2+]1 ZINC000002548024 177227903 /nfs/dbraw/zinc/22/79/03/177227903.db2.gz BCXBBYDLRSJZTE-JTQLQIEISA-N 1 0 204.273 1.121 50 0 BDAARO C[C@@H](O)CN1CC[N@H+](CC2CCCC2)C[C@@H]1C ZINC000071864532 177246664 /nfs/dbraw/zinc/24/66/64/177246664.db2.gz NXHMGKAEFFOXRS-QWHCGFSZSA-N 1 0 240.391 1.564 50 0 BDAARO C[C@@H]1C[N@@H+](Cc2cccc(N)c2)C[C@H](C)O1 ZINC000019264319 177264640 /nfs/dbraw/zinc/26/46/40/177264640.db2.gz SAPOZTKSZOJTJM-PHIMTYICSA-N 1 0 220.316 1.878 50 0 BDAARO C[C@H]1CN(Cc2nc3ccccc3[nH]2)CC[NH2+]1 ZINC000022122108 177270279 /nfs/dbraw/zinc/27/02/79/177270279.db2.gz NBPBYFYULCGUCN-JTQLQIEISA-N 1 0 230.315 1.357 50 0 BDAARO C[C@H](C(N)=O)[N@H+](C)CCc1ccc(F)cc1 ZINC000048922223 487935097 /nfs/dbraw/zinc/93/50/97/487935097.db2.gz VPYKMAWSJOOZKS-SECBINFHSA-N 1 0 224.279 1.174 50 0 BDAARO CCCc1cnc(N2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])nc1 ZINC000534593127 323154644 /nfs/dbraw/zinc/15/46/44/323154644.db2.gz MHIDZTRBHGQOKT-CLLJXQQHSA-N 1 0 246.358 1.603 50 0 BDAARO NC(=O)C1([NH2+][C@@H]2CCCOC2)CCCCCC1 ZINC000670444426 487492309 /nfs/dbraw/zinc/49/23/09/487492309.db2.gz JXBSNVOCRXYLEF-LLVKDONJSA-N 1 0 240.347 1.333 50 0 BDAARO CCc1noc(CC[NH2+][C@@H](C)Cn2ccnc2)n1 ZINC000670456266 487509020 /nfs/dbraw/zinc/50/90/20/487509020.db2.gz MMTDYEZFFPPAAX-JTQLQIEISA-N 1 0 249.318 1.049 50 0 BDAARO Cc1cnc(C[N@@H+](C)CC2(CO)CCC2)cn1 ZINC000670455850 487509310 /nfs/dbraw/zinc/50/93/10/487509310.db2.gz DXZNBOLERYTIDU-UHFFFAOYSA-N 1 0 235.331 1.379 50 0 BDAARO O[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccnc1 ZINC000085334235 488161610 /nfs/dbraw/zinc/16/16/10/488161610.db2.gz PSPZZTWRMQXWQB-GJZGRUSLSA-N 1 0 240.306 1.830 50 0 BDAARO C[NH+](C)CCNc1nc(C2CC2)nc2c1CCC2 ZINC000065288131 490059392 /nfs/dbraw/zinc/05/93/92/490059392.db2.gz BCHZIEVJAIYJJR-UHFFFAOYSA-N 1 0 246.358 1.816 50 0 BDAARO Cc1ccccc1CN(C)[C@@H]1CCOC1=O ZINC000048235565 490175110 /nfs/dbraw/zinc/17/51/10/490175110.db2.gz YELKDOWVNGUBRT-GFCCVEGCSA-N 1 0 219.284 1.742 50 0 BDAARO C[C@H](CCO)[NH2+]C1CCC2(CC1)OCCO2 ZINC000120620445 491072566 /nfs/dbraw/zinc/07/25/66/491072566.db2.gz MOHDPHRMUYLPRR-SNVBAGLBSA-N 1 0 229.320 1.033 50 0 BDAARO CC[C@](C)([NH3+])c1nc2c(c(=O)[nH]1)CCCCC2 ZINC000071372433 491121710 /nfs/dbraw/zinc/12/17/10/491121710.db2.gz BLGONPLFKWQUFD-ZDUSSCGKSA-N 1 0 235.331 1.623 50 0 BDAARO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1OCCO1 ZINC000097103342 491125074 /nfs/dbraw/zinc/12/50/74/491125074.db2.gz ABSSMBVWABRUMG-MNOVXSKESA-N 1 0 213.321 1.870 50 0 BDAARO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1OCCO1 ZINC000097103344 491125081 /nfs/dbraw/zinc/12/50/81/491125081.db2.gz ABSSMBVWABRUMG-GHMZBOCLSA-N 1 0 213.321 1.870 50 0 BDAARO C=CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000390834772 518680814 /nfs/dbraw/zinc/68/08/14/518680814.db2.gz YJSYEBGLPVAYIZ-NWDGAFQWSA-N 1 0 236.359 1.942 50 0 BDAARO CC(C)(C)OC(=O)CC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388270045 518783910 /nfs/dbraw/zinc/78/39/10/518783910.db2.gz XYLPJSYIBJYKHN-SNVBAGLBSA-N 1 0 243.347 1.421 50 0 BDAARO CC(C)C(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000071885758 519451691 /nfs/dbraw/zinc/45/16/91/519451691.db2.gz TVQDEBWHXUANPP-UHFFFAOYSA-N 1 0 249.358 1.628 50 0 BDAARO CC(C)NC(=O)CC[NH+]1CC(c2ccccn2)C1 ZINC000244673881 519702598 /nfs/dbraw/zinc/70/25/98/519702598.db2.gz HXIYXKZNERMCFM-UHFFFAOYSA-N 1 0 247.342 1.396 50 0 BDAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCc1ccncc1 ZINC000220507616 521947739 /nfs/dbraw/zinc/94/77/39/521947739.db2.gz VLYIKDBLOWZZCH-AAEUAGOBSA-N 1 0 249.358 1.504 50 0 BDAARO COC[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@@H]1C ZINC000242106190 522782156 /nfs/dbraw/zinc/78/21/56/522782156.db2.gz 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CCKWGHLNNWSKJY-SNVBAGLBSA-N 1 0 226.324 1.026 50 0 BDAARO COc1ccc(C[NH2+]CCn2ccnc2)cc1O ZINC000041063295 641541327 /nfs/dbraw/zinc/54/13/27/641541327.db2.gz RTQHEZISVGVFDV-UHFFFAOYSA-N 1 0 247.298 1.387 50 0 BDAARO CC(C)(C)[C@H]([NH3+])[C@@]1(O)CCCSC1 ZINC000958528098 644806573 /nfs/dbraw/zinc/80/65/73/644806573.db2.gz JLMOTGUMWHNTMY-WCBMZHEXSA-N 1 0 203.351 1.618 50 0 BDAARO [NH3+][C@H](c1cncnc1)C1(O)CCCCCCC1 ZINC000958527730 644805090 /nfs/dbraw/zinc/80/50/90/644805090.db2.gz FXWJJNKUFNJMFA-GFCCVEGCSA-N 1 0 235.331 1.952 50 0 BDAARO CC1(C)CNC(=O)[C@H]1[NH2+]CCOc1ccccc1 ZINC000924553846 646065624 /nfs/dbraw/zinc/06/56/24/646065624.db2.gz LWTFBYWZSDTELG-GFCCVEGCSA-N 1 0 248.326 1.180 50 0 BDAARO CC1(C)CNC(=O)[C@@H]1[NH2+]CCOc1ccccc1 ZINC000924553847 646066495 /nfs/dbraw/zinc/06/64/95/646066495.db2.gz LWTFBYWZSDTELG-LBPRGKRZSA-N 1 0 248.326 1.180 50 0 BDAARO COC(=O)[C@@H]1C[C@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000725359135 711663824 /nfs/dbraw/zinc/66/38/24/711663824.db2.gz OEWVCMJXNWDBHV-FSDSQADBSA-N 1 0 225.210 1.465 50 0 BDAARO COC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000725359136 711664025 /nfs/dbraw/zinc/66/40/25/711664025.db2.gz OEWVCMJXNWDBHV-QYNIQEEDSA-N 1 0 225.210 1.465 50 0 BDAARO C[C@H](CO)[NH2+]CCN1CCc2ccccc2C1 ZINC000065404571 712391696 /nfs/dbraw/zinc/39/16/96/712391696.db2.gz JJDSKTLVLFBHKD-GFCCVEGCSA-N 1 0 234.343 1.015 50 0 BDAARO CC[C@H](O)C[N@H+](C)CC1(CO)CCCC1 ZINC000822604665 968529201 /nfs/dbraw/zinc/52/92/01/968529201.db2.gz WLNTUNUOTQUYKY-NSHDSACASA-N 1 0 215.337 1.242 50 0 BDAARO Cc1cccnc1OC[C@@H]1CCC[N@H+]1C ZINC000585655108 959545670 /nfs/dbraw/zinc/54/56/70/959545670.db2.gz RSJKIVQHNCKXSA-NSHDSACASA-N 1 0 206.289 1.863 50 0 BDAARO C[N@@H+]1CC[C@H](Oc2nccc(C(F)(F)F)n2)C1 ZINC000585651854 961153814 /nfs/dbraw/zinc/15/38/14/961153814.db2.gz QWOGOHQHNXJNBA-ZETCQYMHSA-N 1 0 247.220 1.578 50 0 BDAARO C[C@@H](CN(C)CCO)[NH2+]C1(C2CCCC2)CC1 ZINC000828757292 968808729 /nfs/dbraw/zinc/80/87/29/968808729.db2.gz ISESPUJIYIAWOI-LBPRGKRZSA-N 1 0 240.391 1.611 50 0 BDAARO CC(C)CC[N@@H+]1CC[C@H](CO)[C@H](N(C)C)C1 ZINC000581798861 969124998 /nfs/dbraw/zinc/12/49/98/969124998.db2.gz ACQQEYLXUWGXLS-CHWSQXEVSA-N 1 0 228.380 1.277 50 0 BDAARO O[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000585298946 973916688 /nfs/dbraw/zinc/91/66/88/973916688.db2.gz UYDRGOGDUQEJBU-WDEREUQCSA-N 1 0 211.692 1.953 50 0 BDAARO C[NH+]1CCC(Oc2ccc(F)cn2)CC1 ZINC000585654759 973928955 /nfs/dbraw/zinc/92/89/55/973928955.db2.gz SJTDLPYLKXPTDB-UHFFFAOYSA-N 1 0 210.252 1.694 50 0 BDAARO C[N@@H+]1CC[C@@H](Oc2ncnc3cc(F)ccc32)C1 ZINC000585655207 973929260 /nfs/dbraw/zinc/92/92/60/973929260.db2.gz WULJNVQFFPQTDC-SNVBAGLBSA-N 1 0 247.273 1.852 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1[C@H]2CCCC[NH2+][C@@H]21 ZINC000950756085 974041344 /nfs/dbraw/zinc/04/13/44/974041344.db2.gz KLSOXZVGCGFOFI-LPEHRKFASA-N 1 0 226.320 1.652 50 0 BDAARO CNc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000952877553 974054733 /nfs/dbraw/zinc/05/47/33/974054733.db2.gz RHLFOEPMTPZEEX-GFCCVEGCSA-N 1 0 220.316 1.685 50 0 BDAARO Cc1[nH]ccc1C(=O)N(C)C[C@]1(C)CC[N@H+](C)C1 ZINC001506421171 988778116 /nfs/dbraw/zinc/77/81/16/988778116.db2.gz FUDQEXZPEVTLGP-CQSZACIVSA-N 1 0 249.358 1.737 50 0 BDAARO CC(C)[C@H](CNc1nccc(N)n1)[NH+]1CCCC1 ZINC001529195410 990339023 /nfs/dbraw/zinc/33/90/23/990339023.db2.gz KNYMQVIJAYAQKF-NSHDSACASA-N 1 0 249.362 1.591 50 0 BDAARO C[C@H](CC(=O)N1CCC[C@H]1C[NH3+])c1ccncc1 ZINC000299738685 136209384 /nfs/dbraw/zinc/20/93/84/136209384.db2.gz FFQIDPSXCZDTTK-YPMHNXCESA-N 1 0 247.342 1.525 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[NH2+]C[C@H]21 ZINC000071373406 398148123 /nfs/dbraw/zinc/14/81/23/398148123.db2.gz KFOSBANHALBORK-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO C[NH+](C)CCCNC(=O)c1cc2ccccc2[nH]1 ZINC000004723166 398174640 /nfs/dbraw/zinc/17/46/40/398174640.db2.gz HZBUKVRVXZPKIU-UHFFFAOYSA-N 1 0 245.326 1.849 50 0 BDAARO Cc1cc(NC(=O)[C@H]([NH3+])Cc2ccccc2)no1 ZINC000019471929 178148081 /nfs/dbraw/zinc/14/80/81/178148081.db2.gz GPFUPWSZCWOUET-LLVKDONJSA-N 1 0 245.282 1.492 50 0 BDAARO Cc1cc(OCCC[NH+](C)C)ccc1N ZINC000014630771 178210694 /nfs/dbraw/zinc/21/06/94/178210694.db2.gz ZOFALDSUPNCABI-UHFFFAOYSA-N 1 0 208.305 1.908 50 0 BDAARO Cc1ccnc(NCCc2cncn2C)n1 ZINC000097109576 398238766 /nfs/dbraw/zinc/23/87/66/398238766.db2.gz RPBPLYGRRZNXAM-UHFFFAOYSA-N 1 0 217.276 1.173 50 0 BDAARO Cc1cc2[nH+]c(NCCO)n(C)c2cc1C ZINC000008410166 178302820 /nfs/dbraw/zinc/30/28/20/178302820.db2.gz QNIBULVWNKYKPO-UHFFFAOYSA-N 1 0 219.288 1.594 50 0 BDAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000097159390 398247000 /nfs/dbraw/zinc/24/70/00/398247000.db2.gz OVESIXIJHMSHOT-UHFFFAOYSA-N 1 0 245.330 1.469 50 0 BDAARO C[C@H](CCn1ccnc1-c1nccn1C)[NH+](C)C ZINC000077287693 398255536 /nfs/dbraw/zinc/25/55/36/398255536.db2.gz WOCYNVUXJQUSOM-LLVKDONJSA-N 1 0 247.346 1.624 50 0 BDAARO Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1C ZINC000050246299 178396091 /nfs/dbraw/zinc/39/60/91/178396091.db2.gz QBVLXIJFNORZQJ-LBPRGKRZSA-N 1 0 232.327 1.724 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000000213026 342680455 /nfs/dbraw/zinc/68/04/55/342680455.db2.gz DTCRATFVXVJSBT-LLVKDONJSA-N 1 0 223.316 1.814 50 0 BDAARO COC[C@H](C)[NH2+]Cc1cccc(OC)c1OC ZINC000000263778 342681731 /nfs/dbraw/zinc/68/17/31/342681731.db2.gz MSEUQISSMRSQFO-JTQLQIEISA-N 1 0 239.315 1.828 50 0 BDAARO Cn1cc[n+](C)c1COc1ccc(C=O)cc1 ZINC000000337697 342683800 /nfs/dbraw/zinc/68/38/00/342683800.db2.gz FNUFPEMRWUCGGZ-UHFFFAOYSA-N 1 0 231.275 1.241 50 0 BDAARO O=C(O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000000000075 342669327 /nfs/dbraw/zinc/66/93/27/342669327.db2.gz AHKAOMZZTQULDS-CYBMUJFWSA-N 1 0 231.295 1.938 50 0 world BDAARO CCCCCC[n+]1cccc(C(N)=O)c1 ZINC000001566891 342703486 /nfs/dbraw/zinc/70/34/86/342703486.db2.gz PVMWZBOSCFWICX-UHFFFAOYSA-O 1 0 207.297 1.653 50 0 BDAARO CC[NH+](CC)CC(O)C[NH+](CC)CC ZINC000001667349 342707489 /nfs/dbraw/zinc/70/74/89/342707489.db2.gz CDBMNYGKGNXEIG-UHFFFAOYSA-N 1 0 202.342 1.031 50 0 BDAARO CC[C@H](Cn1cnc2cccnc2c1=O)[NH+](C)C ZINC000584901325 342713665 /nfs/dbraw/zinc/71/36/65/342713665.db2.gz KGURCJDLVQVIGD-SNVBAGLBSA-N 1 0 246.314 1.132 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000004203758 342744007 /nfs/dbraw/zinc/74/40/07/342744007.db2.gz FPXJNSKAXZNWMQ-NSHDSACASA-N 1 0 220.272 1.356 50 0 BDAARO O=C(NCC[NH2+]Cc1ccccn1)c1ccco1 ZINC000004245186 342745335 /nfs/dbraw/zinc/74/53/35/342745335.db2.gz MOPVPODYOKJSKA-UHFFFAOYSA-N 1 0 245.282 1.194 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1cccc(OC)c1 ZINC000004298877 342746300 /nfs/dbraw/zinc/74/63/00/342746300.db2.gz DOYKYXMRPXMHLZ-SNVBAGLBSA-N 1 0 209.245 1.258 50 0 BDAARO CC[C@@H](OC[C@@H](O)C[NH3+])c1ccccc1 ZINC000002454841 342720687 /nfs/dbraw/zinc/72/06/87/342720687.db2.gz DVMKGKGMWDJEAY-NWDGAFQWSA-N 1 0 209.289 1.474 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000002527322 342722740 /nfs/dbraw/zinc/72/27/40/342722740.db2.gz REBCUOWHHZXWGJ-WDEREUQCSA-N 1 0 223.247 1.302 50 0 BDAARO CC(C)(C)OC(=O)NCCCCC[NH3+] ZINC000002557990 342724103 /nfs/dbraw/zinc/72/41/03/342724103.db2.gz DPLOGSUBQDREOU-UHFFFAOYSA-N 1 0 202.298 1.640 50 0 BDAARO COC(=O)CC[NH2+][C@H](C)c1ccccc1 ZINC000002810002 342727378 /nfs/dbraw/zinc/72/73/78/342727378.db2.gz ZCYLXTDMFSPRNF-SNVBAGLBSA-N 1 0 207.273 1.900 50 0 BDAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000003627749 342735287 /nfs/dbraw/zinc/73/52/87/342735287.db2.gz IZPOHNAFLAXBCQ-CYBMUJFWSA-N 1 0 232.327 1.569 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000004990219 342755909 /nfs/dbraw/zinc/75/59/09/342755909.db2.gz LTOWTJRPZHQZHR-CYBMUJFWSA-N 1 0 205.301 1.952 50 0 BDAARO CCOc1cc2c(cc1OC)[C@H]([NH3+])CC2=O ZINC000005644920 342767892 /nfs/dbraw/zinc/76/78/92/342767892.db2.gz HHXDGXBHPQZZJI-SECBINFHSA-N 1 0 221.256 1.680 50 0 BDAARO Nc1[nH+]c2cc(Cl)ccc2n1CCCO ZINC000004709834 342750917 /nfs/dbraw/zinc/75/09/17/342750917.db2.gz NSMVCZCLMLZSOB-UHFFFAOYSA-N 1 0 225.679 1.654 50 0 in-vitro BDAARO C[N@H+](CCCC(=O)[O-])CC[C@H]1CCCC[NH+]1C ZINC000042717726 342781377 /nfs/dbraw/zinc/78/13/77/342781377.db2.gz NNGSQLGHIVUPEW-GFCCVEGCSA-N 1 0 242.363 1.657 50 0 BDAARO C[C@H]([NH3+])c1ccc(OCC(F)F)nc1 ZINC000126860017 342785899 /nfs/dbraw/zinc/78/58/99/342785899.db2.gz PCGLOQBIDPTHMN-LURJTMIESA-N 1 0 202.204 1.745 50 0 BDAARO CC[NH+](CC)CCCNC(=O)C(C)C ZINC000002745010 342787764 /nfs/dbraw/zinc/78/77/64/342787764.db2.gz DNBNRISMTNYFEN-UHFFFAOYSA-N 1 0 200.326 1.491 50 0 BDAARO COc1ccc([C@H]([NH3+])c2nccn2C)cc1 ZINC000007986298 342795389 /nfs/dbraw/zinc/79/53/89/342795389.db2.gz NGFVORJRIAJDAY-NSHDSACASA-N 1 0 217.272 1.477 50 0 BDAARO CN(C)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732996 342804117 /nfs/dbraw/zinc/80/41/17/342804117.db2.gz GQUFBXDKLMHBCI-UHFFFAOYSA-N 1 0 207.277 1.040 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000011727380 342842716 /nfs/dbraw/zinc/84/27/16/342842716.db2.gz XSYGFTHHPAOYJI-CYBMUJFWSA-N 1 0 205.301 1.952 50 0 BDAARO C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCCO1 ZINC000042269918 361976845 /nfs/dbraw/zinc/97/68/45/361976845.db2.gz JJHMKWFIFVTDRT-RYUDHWBXSA-N 1 0 223.320 1.430 50 0 BDAARO CCCCOc1ccc([C@H]([NH3+])CO)cc1 ZINC000012404650 342851569 /nfs/dbraw/zinc/85/15/69/342851569.db2.gz QXTSIVSFEQJPOE-GFCCVEGCSA-N 1 0 209.289 1.858 50 0 BDAARO CCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000032667827 342861699 /nfs/dbraw/zinc/86/16/99/342861699.db2.gz YZMLAAQLHQDKOK-WDEREUQCSA-N 1 0 210.321 1.197 50 0 BDAARO CC[C@H](O)C[NH2+]Cc1cccc(OC)c1F ZINC000229979505 342862144 /nfs/dbraw/zinc/86/21/44/342862144.db2.gz VPZPWWUFRVDWPZ-JTQLQIEISA-N 1 0 227.279 1.695 50 0 BDAARO CC[C@@H]([NH2+]Cc1nnc(C)s1)[C@@H]1CCOC1 ZINC000134721245 342878560 /nfs/dbraw/zinc/87/85/60/342878560.db2.gz QCZKFHAUDZZMIH-NXEZZACHSA-N 1 0 241.360 1.751 50 0 BDAARO O=C1CCCN1CCC[NH2+]Cc1ccccc1 ZINC000013727380 342870859 /nfs/dbraw/zinc/87/08/59/342870859.db2.gz YXDSSSNXJXOODK-UHFFFAOYSA-N 1 0 232.327 1.789 50 0 BDAARO O=C1CS[C@H]2N1CC[NH2+]C21CCCCC1 ZINC000055152984 398308218 /nfs/dbraw/zinc/30/82/18/398308218.db2.gz NALQPRYAZGDJGT-SNVBAGLBSA-N 1 0 226.345 1.194 50 0 BDAARO Clc1ncccc1OC1CC[NH2+]CC1 ZINC000014631954 342883192 /nfs/dbraw/zinc/88/31/92/342883192.db2.gz VMQIMJLHQSYHHK-UHFFFAOYSA-N 1 0 212.680 1.866 50 0 BDAARO O=C1NCCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000036977573 342915369 /nfs/dbraw/zinc/91/53/69/342915369.db2.gz AEGRAUNVWCZRCR-JTQLQIEISA-N 1 0 228.361 1.140 50 0 BDAARO CN(CC1CC[NH2+]CC1)C(=O)OC(C)(C)C ZINC000016941930 342917435 /nfs/dbraw/zinc/91/74/35/342917435.db2.gz ZREUHPKGCXOWCK-UHFFFAOYSA-N 1 0 228.336 1.853 50 0 BDAARO CC1(C)C[NH2+][C@@H](C(N)=O)c2ccccc21 ZINC000218777901 346880844 /nfs/dbraw/zinc/88/08/44/346880844.db2.gz RKUZFANOZKBWTM-SNVBAGLBSA-N 1 0 204.273 1.094 50 0 BDAARO Cc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)s1 ZINC000069488896 398330030 /nfs/dbraw/zinc/33/00/30/398330030.db2.gz VYAGPDRZUQGJHX-SNVBAGLBSA-N 1 0 248.355 1.753 50 0 BDAARO Cc1ccc(NCC2(O)CC[NH2+]CC2)cc1C ZINC000071545146 259332001 /nfs/dbraw/zinc/33/20/01/259332001.db2.gz MGJBGAZULFDMKO-UHFFFAOYSA-N 1 0 234.343 1.830 50 0 BDAARO Cc1ccc(C)c(CC(=O)N(C)[C@@H]2CC[NH2+]C2)c1 ZINC000053142053 178468564 /nfs/dbraw/zinc/46/85/64/178468564.db2.gz OJVGHURJQBZXKS-CQSZACIVSA-N 1 0 246.354 1.666 50 0 BDAARO O=C(CCc1ccccc1)NC1CC[NH2+]CC1 ZINC000019260816 342944418 /nfs/dbraw/zinc/94/44/18/342944418.db2.gz SMVAIZXVZZXCNA-UHFFFAOYSA-N 1 0 232.327 1.487 50 0 BDAARO Cc1ccoc1C(=O)NC1CC[NH2+]CC1 ZINC000019257835 342944570 /nfs/dbraw/zinc/94/45/70/342944570.db2.gz YWRLQHBZGYDSBM-UHFFFAOYSA-N 1 0 208.261 1.070 50 0 BDAARO Cc1csc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000019412924 342948283 /nfs/dbraw/zinc/94/82/83/342948283.db2.gz HJPBFOISCFZWMJ-QMMMGPOBSA-N 1 0 225.317 1.390 50 0 BDAARO O=C(c1cccc(F)c1)N1CCC[NH2+]CC1 ZINC000019679939 342953702 /nfs/dbraw/zinc/95/37/02/342953702.db2.gz KRKTYJDNTSZEOX-UHFFFAOYSA-N 1 0 222.263 1.261 50 0 BDAARO C[C@H]([NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000019415416 342948073 /nfs/dbraw/zinc/94/80/73/342948073.db2.gz VOLCEGNUCYAADY-VIFPVBQESA-N 1 0 240.328 1.246 50 0 BDAARO O=S1(=O)CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000019772550 342957072 /nfs/dbraw/zinc/95/70/72/342957072.db2.gz HVJCMONMOFLUPG-NSHDSACASA-N 1 0 243.303 1.102 50 0 BDAARO Cc1ccc(NC(=O)CN2CC[NH2+]CC2)c(C)c1 ZINC000019797584 342958171 /nfs/dbraw/zinc/95/81/71/342958171.db2.gz DDQUQNRXRVUASN-UHFFFAOYSA-N 1 0 247.342 1.147 50 0 BDAARO O=C(c1cc(Cl)c[nH]1)N1CCC[NH2+]CC1 ZINC000020213946 342977583 /nfs/dbraw/zinc/97/75/83/342977583.db2.gz UWGRLVKDVVGDFF-UHFFFAOYSA-N 1 0 227.695 1.104 50 0 BDAARO Cc1ccc(C[NH2+]CC(=O)N(C)C)cc1 ZINC000020054840 342967380 /nfs/dbraw/zinc/96/73/80/342967380.db2.gz RFBGBYRSCPNEHY-UHFFFAOYSA-N 1 0 206.289 1.173 50 0 BDAARO Nc1ncc(SCC[NH+]2CCCC2)s1 ZINC000020254110 342978960 /nfs/dbraw/zinc/97/89/60/342978960.db2.gz NFRDWNOGNVXNKY-UHFFFAOYSA-N 1 0 229.374 1.913 50 0 BDAARO CC(C)(C(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000020281444 342980345 /nfs/dbraw/zinc/98/03/45/342980345.db2.gz NKYLFVFLKHAQMB-UHFFFAOYSA-N 1 0 232.327 1.396 50 0 BDAARO Cc1occc1C(=O)NCC[NH+]1CCCCC1 ZINC000020295964 342981241 /nfs/dbraw/zinc/98/12/41/342981241.db2.gz KEWJEGKDUZRHPP-UHFFFAOYSA-N 1 0 236.315 1.804 50 0 BDAARO CC(C)(C)OC(=O)N1CC[NH2+]CC1(C)C ZINC000021985854 343031944 /nfs/dbraw/zinc/03/19/44/343031944.db2.gz DVMUNQAGXAMHOR-UHFFFAOYSA-N 1 0 214.309 1.605 50 0 BDAARO Clc1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000022637957 343052349 /nfs/dbraw/zinc/05/23/49/343052349.db2.gz JVWGQRQPGUJVMR-UHFFFAOYSA-N 1 0 237.690 1.891 50 0 BDAARO C[C@H]1CC(N)=[NH+]N1c1ccc(Cl)cn1 ZINC000022995866 343057454 /nfs/dbraw/zinc/05/74/54/343057454.db2.gz UVBPMYBQHDMKKL-LURJTMIESA-N 1 0 210.668 1.606 50 0 BDAARO CCN1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000000757688 343138745 /nfs/dbraw/zinc/13/87/45/343138745.db2.gz QGQWCUYDXACTDI-UHFFFAOYSA-N 1 0 226.364 1.364 50 0 BDAARO COc1cc(Br)c(C[NH3+])cc1OC ZINC000035222865 343290565 /nfs/dbraw/zinc/29/05/65/343290565.db2.gz PYYWZHDHAJXUBG-UHFFFAOYSA-N 1 0 246.104 1.925 50 0 BDAARO C[C@@H]1CCC[C@@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757648 343269972 /nfs/dbraw/zinc/26/99/72/343269972.db2.gz YBANFNLAJNEODD-ZYHUDNBSSA-N 1 0 224.348 1.762 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000035248135 343290852 /nfs/dbraw/zinc/29/08/52/343290852.db2.gz MAKONFGDMPDBED-HBNTYKKESA-N 1 0 240.347 1.899 50 0 BDAARO C[C@@H](O)C[NH+](C[C@@H](C)O)CC1CCCCC1 ZINC000003682156 343273060 /nfs/dbraw/zinc/27/30/60/343273060.db2.gz IDKZBAVMSJFTQT-VXGBXAGGSA-N 1 0 229.364 1.630 50 0 BDAARO [NH3+][C@H]1CCC[C@@H](C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000382826086 343281186 /nfs/dbraw/zinc/28/11/86/343281186.db2.gz AECSNIJXLLADHU-MQYQWHSLSA-N 1 0 248.370 1.929 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000036872892 343325709 /nfs/dbraw/zinc/32/57/09/343325709.db2.gz GRXIWBAKFQTJIP-GARJFASQSA-N 1 0 212.337 1.809 50 0 BDAARO C[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1 ZINC000036932947 343327988 /nfs/dbraw/zinc/32/79/88/343327988.db2.gz PRLFOSQAXSIYGJ-ZDUSSCGKSA-N 1 0 234.343 1.497 50 0 BDAARO O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000038478386 343375140 /nfs/dbraw/zinc/37/51/40/343375140.db2.gz UBUQVJPGLZRQIQ-OLZOCXBDSA-N 1 0 248.301 1.361 50 0 BDAARO O=C([C@@H]1C[C@@H]1c1cccs1)N1CC[NH2+]CC1 ZINC000038478294 343375266 /nfs/dbraw/zinc/37/52/66/343375266.db2.gz YCLPEQPVIBGQNZ-VHSXEESVSA-N 1 0 236.340 1.283 50 0 BDAARO COC(=O)COc1ccc([C@@H](C)[NH3+])cc1 ZINC000037697462 343351827 /nfs/dbraw/zinc/35/18/27/343351827.db2.gz YRHYQTTZYXWRGB-MRVPVSSYSA-N 1 0 209.245 1.258 50 0 BDAARO Fc1ccc(OC[C@H]2CC[NH2+]C2)cc1F ZINC000039953908 343394270 /nfs/dbraw/zinc/39/42/70/343394270.db2.gz MZTUWRDTMJYPBH-QMMMGPOBSA-N 1 0 213.227 1.953 50 0 BDAARO CN1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000040672741 343408244 /nfs/dbraw/zinc/40/82/44/343408244.db2.gz WMTDYWOKJRZSIB-NSHDSACASA-N 1 0 214.378 1.566 50 0 BDAARO C[C@H]([NH3+])c1noc(Cc2ccccc2)n1 ZINC000041052171 343414254 /nfs/dbraw/zinc/41/42/54/343414254.db2.gz CHEZCXNPSVEFKN-QMMMGPOBSA-N 1 0 203.245 1.680 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000042750237 343450628 /nfs/dbraw/zinc/45/06/28/343450628.db2.gz OGAFPCPHUIPWEO-ZDUSSCGKSA-N 1 0 240.347 1.997 50 0 BDAARO O=C(OC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000042769446 343451005 /nfs/dbraw/zinc/45/10/05/343451005.db2.gz KZFFEOSTWHELTE-SNVBAGLBSA-N 1 0 205.257 1.453 50 0 BDAARO Fc1ccc(OC2C[NH2+]C2)c(Cl)c1 ZINC000042769853 343451765 /nfs/dbraw/zinc/45/17/65/343451765.db2.gz GFVYARFHIKHPEO-UHFFFAOYSA-N 1 0 201.628 1.830 50 0 BDAARO Clc1cncc(OC[C@H]2CC[NH2+]C2)n1 ZINC000042774137 343452335 /nfs/dbraw/zinc/45/23/35/343452335.db2.gz QUTGRGWFPMDKPP-ZETCQYMHSA-N 1 0 213.668 1.118 50 0 BDAARO c1csc(-c2noc(C3C[NH2+]C3)n2)c1 ZINC000043830095 343485400 /nfs/dbraw/zinc/48/54/00/343485400.db2.gz JAVARPCZBVEYBY-UHFFFAOYSA-N 1 0 207.258 1.485 50 0 BDAARO Clc1ccc(OCC2CC[NH2+]CC2)nn1 ZINC000043830146 343485402 /nfs/dbraw/zinc/48/54/02/343485402.db2.gz JWTIUSKRHPMCTD-UHFFFAOYSA-N 1 0 227.695 1.508 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](F)C1 ZINC000049587212 343603777 /nfs/dbraw/zinc/60/37/77/343603777.db2.gz ZQRYPCAUVKVMLZ-HTQZYQBOSA-N 1 0 218.272 1.293 50 0 BDAARO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCc2ccccc2C1 ZINC000526055770 259365887 /nfs/dbraw/zinc/36/58/87/259365887.db2.gz AELZFNWFJMNYTM-WDNDVIMCSA-N 1 0 242.322 1.037 50 0 BDAARO CCc1nc(COC[C@H]2CCC[NH2+]C2)no1 ZINC000051815591 343629207 /nfs/dbraw/zinc/62/92/07/343629207.db2.gz LIHBFRFFFGSLPG-VIFPVBQESA-N 1 0 225.292 1.148 50 0 BDAARO Cc1ccc(CN2CC[NH2+]C[C@@H]2CCO)cc1 ZINC000019943100 178574615 /nfs/dbraw/zinc/57/46/15/178574615.db2.gz IXXSPKBMIASMPS-AWEZNQCLSA-N 1 0 234.343 1.151 50 0 BDAARO CC[C@@H]1C(=O)NCC[N@@H+]1[C@H]1C=CCCC1 ZINC000098012635 344123270 /nfs/dbraw/zinc/12/32/70/344123270.db2.gz LGZHNVXTDDNRHF-WDEREUQCSA-N 1 0 208.305 1.306 50 0 BDAARO CC[NH+](CC)CC(=O)Nc1ccccc1 ZINC000016286658 344298512 /nfs/dbraw/zinc/29/85/12/344298512.db2.gz BZOYWRSQDKFTPI-UHFFFAOYSA-N 1 0 206.289 1.967 50 0 BDAARO NNc1[nH+]c(-c2ccncc2)nc2ccccc21 ZINC000000078197 344241549 /nfs/dbraw/zinc/24/15/49/344241549.db2.gz GBXZZNQQYDOFFU-UHFFFAOYSA-N 1 0 237.266 1.977 50 0 BDAARO CCN1C[C@H](O)C[n+]2c3ccccc3sc21 ZINC000012341667 344500392 /nfs/dbraw/zinc/50/03/92/344500392.db2.gz STEZUGZMSNHUFL-VIFPVBQESA-N 1 0 235.332 1.362 50 0 BDAARO CCc1nnc(CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH]1 ZINC000159193295 344670926 /nfs/dbraw/zinc/67/09/26/344670926.db2.gz HNXIUQRWWILHTO-LLVKDONJSA-N 1 0 249.362 1.037 50 0 BDAARO CC[C@](C)([NH3+])c1nnnn1-c1c(C)cccc1C ZINC000004908032 344809851 /nfs/dbraw/zinc/80/98/51/344809851.db2.gz UIHKZEGGJZFIIF-ZDUSSCGKSA-N 1 0 245.330 1.863 50 0 BDAARO Cc1ccc(NC(=O)c2ccc(NN)[nH+]c2)cc1 ZINC000015829550 178753036 /nfs/dbraw/zinc/75/30/36/178753036.db2.gz YVNRGFYHLKQKEF-UHFFFAOYSA-N 1 0 242.282 1.928 50 0 BDAARO C[C@@H]1CCCC[N@H+]1CC(=O)N1CCO[C@@H](C)C1 ZINC000249216081 537872691 /nfs/dbraw/zinc/87/26/91/537872691.db2.gz DZAPCBAKEAJGQU-NEPJUHHUSA-N 1 0 240.347 1.108 50 0 BDAARO C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CCO1 ZINC000249216083 537871394 /nfs/dbraw/zinc/87/13/94/537871394.db2.gz DZAPCBAKEAJGQU-RYUDHWBXSA-N 1 0 240.347 1.108 50 0 BDAARO CC(=O)NC[C@@H]1C[NH2+]CC12CCCCC2 ZINC000409419582 344965920 /nfs/dbraw/zinc/96/59/20/344965920.db2.gz ODYVVWLCVXWZSP-NSHDSACASA-N 1 0 210.321 1.292 50 0 BDAARO c1cc(-c2nc(CC[C@H]3CCC[NH2+]3)no2)ccn1 ZINC000096894968 537903230 /nfs/dbraw/zinc/90/32/30/537903230.db2.gz LWGHRRYMJTVGTD-LLVKDONJSA-N 1 0 244.298 1.816 50 0 BDAARO CC[N@H+]([C@H]1CCNC1=O)[C@@H]1C=CCCC1 ZINC000282255756 345915563 /nfs/dbraw/zinc/91/55/63/345915563.db2.gz GVHJMRZEPRAVKN-MNOVXSKESA-N 1 0 208.305 1.306 50 0 BDAARO C[NH+](C)CCCNC=C1SC(=S)NC1=O ZINC000033938866 345923466 /nfs/dbraw/zinc/92/34/66/345923466.db2.gz XMSWWNPEYCKMBP-SREVYHEPSA-N 1 0 245.373 1.357 50 0 BDAARO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CN1C ZINC000685939686 537928308 /nfs/dbraw/zinc/92/83/08/537928308.db2.gz SBOGPHNXAYIKSA-MLGHIDQZSA-N 1 0 238.375 1.482 50 0 BDAARO O=C(C1CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000685939511 537928423 /nfs/dbraw/zinc/92/84/23/537928423.db2.gz CDMKHOYEFYHYDV-RWMBFGLXSA-N 1 0 234.343 1.339 50 0 BDAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCCS1 ZINC000685943709 537932635 /nfs/dbraw/zinc/93/26/35/537932635.db2.gz MOKGOYMIFPQKPC-GHMZBOCLSA-N 1 0 240.372 1.092 50 0 BDAARO Cc1ccc2c(c1)c(=O)c1c3n2C[NH2+]C[C@H]3CC1 ZINC000004358009 178958288 /nfs/dbraw/zinc/95/82/88/178958288.db2.gz HAORFKQHRFVTTB-SNVBAGLBSA-N 1 0 240.306 1.900 50 0 BDAARO Cc1ccc2ncnc(NCC[NH+](C)C)c2c1 ZINC000006216581 178984412 /nfs/dbraw/zinc/98/44/12/178984412.db2.gz ZBGYSPFRJJONAJ-UHFFFAOYSA-N 1 0 230.315 1.912 50 0 BDAARO CCN(Cc1ccccc1C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062113011 346205479 /nfs/dbraw/zinc/20/54/79/346205479.db2.gz SGJLTVSHZVWHEX-CYBMUJFWSA-N 1 0 246.354 1.953 50 0 BDAARO Cc1cccc(C(=O)N2CCC[C@@H]2C[NH3+])c1F ZINC000132362899 179008196 /nfs/dbraw/zinc/00/81/96/179008196.db2.gz WOLRMRYQDGOWJR-SNVBAGLBSA-N 1 0 236.290 1.697 50 0 BDAARO Cc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000002528774 179010616 /nfs/dbraw/zinc/01/06/16/179010616.db2.gz YHGUVIUZDTUVKZ-UHFFFAOYSA-N 1 0 204.273 1.040 50 0 BDAARO Cc1cccc([C@H](C)NC[C@@H](O)C[NH+](C)C)c1 ZINC000096477269 179196191 /nfs/dbraw/zinc/19/61/91/179196191.db2.gz GSYIJRXEHAVPNJ-GXTWGEPZSA-N 1 0 236.359 1.568 50 0 BDAARO CC[C@@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000013745925 362802078 /nfs/dbraw/zinc/80/20/78/362802078.db2.gz GIWKRNYIMSJXSP-LLVKDONJSA-N 1 0 227.352 1.570 50 0 BDAARO Cc1cccc2ncn(C3CC[NH2+]CC3)c(=O)c12 ZINC000032517892 179232148 /nfs/dbraw/zinc/23/21/48/179232148.db2.gz PPIVQYAPXZLRPC-UHFFFAOYSA-N 1 0 243.310 1.629 50 0 BDAARO Cc1ccccc1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000019403324 179252832 /nfs/dbraw/zinc/25/28/32/179252832.db2.gz DNFVJUYIEWUXIK-NSHDSACASA-N 1 0 218.300 1.477 50 0 BDAARO Cc1ccccc1CC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000071412700 179260857 /nfs/dbraw/zinc/26/08/57/179260857.db2.gz WLDZWTJFPVHMHO-JSGCOSHPSA-N 1 0 246.354 1.652 50 0 BDAARO C[C@H](CCCO)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000195553541 347641803 /nfs/dbraw/zinc/64/18/03/347641803.db2.gz WGXKPNQSLKGFQW-CHWSQXEVSA-N 1 0 240.391 1.754 50 0 BDAARO CN(C)C(=O)OCC[N@H+](C)Cc1ccsc1 ZINC000195560926 347646793 /nfs/dbraw/zinc/64/67/93/347646793.db2.gz BUEMZONXVHAGAC-UHFFFAOYSA-N 1 0 242.344 1.878 50 0 BDAARO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(O)cc1 ZINC000195579091 347648631 /nfs/dbraw/zinc/64/86/31/347648631.db2.gz KUJGBDJJVHWEOP-ZDUSSCGKSA-N 1 0 221.300 1.739 50 0 BDAARO Cc1ccccc1C[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019899718 179284072 /nfs/dbraw/zinc/28/40/72/179284072.db2.gz JORNZJMCIHKUAD-LBPRGKRZSA-N 1 0 239.340 1.272 50 0 BDAARO [NH3+][C@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000534632389 323156882 /nfs/dbraw/zinc/15/68/82/323156882.db2.gz UVUGZJJONNMFLC-VIFPVBQESA-N 1 0 245.248 1.633 50 0 BDAARO Cc1n(C)cc[n+]1Cc1ccccc1C ZINC000000281334 179294703 /nfs/dbraw/zinc/29/47/03/179294703.db2.gz XYQNVKXHDFRSSH-UHFFFAOYSA-N 1 0 201.293 1.978 50 0 BDAARO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C[NH3+])C1 ZINC000237543933 179331779 /nfs/dbraw/zinc/33/17/79/179331779.db2.gz XMLNCFBSOSZCNR-NWDGAFQWSA-N 1 0 232.327 1.658 50 0 BDAARO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C[NH3+])C1 ZINC000237574874 179348597 /nfs/dbraw/zinc/34/85/97/179348597.db2.gz XMLNCFBSOSZCNR-RYUDHWBXSA-N 1 0 232.327 1.658 50 0 BDAARO CC(C)C[N@H+](CC(N)=O)CC(C)(C)C ZINC000089821205 362945912 /nfs/dbraw/zinc/94/59/12/362945912.db2.gz WMFRBQKOQHYOOQ-UHFFFAOYSA-N 1 0 200.326 1.476 50 0 BDAARO Cc1nc(NC(=O)C2CC[NH2+]CC2)sc1C ZINC000042573165 180004976 /nfs/dbraw/zinc/00/49/76/180004976.db2.gz OWOQDJPLSXXRDV-UHFFFAOYSA-N 1 0 239.344 1.698 50 0 BDAARO C(C1CC1)[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000089819089 191021915 /nfs/dbraw/zinc/02/19/15/191021915.db2.gz ZXMDIOSEGSHUES-ZDUSSCGKSA-N 1 0 208.349 1.957 50 0 BDAARO Cc1nc2c(n1[C@@H]1CC[NH2+]C1)CCCC2 ZINC000076095349 180072264 /nfs/dbraw/zinc/07/22/64/180072264.db2.gz UUPMBIKPSSWRNM-SNVBAGLBSA-N 1 0 205.305 1.605 50 0 BDAARO Cc1nccc(-c2cccc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067790118 180179886 /nfs/dbraw/zinc/17/98/86/180179886.db2.gz OEJORRQMSWVYKK-LLVKDONJSA-N 1 0 241.294 1.714 50 0 BDAARO Cc1ncccc1C(=O)OCC1([NH+](C)C)CC1 ZINC000328596762 180215925 /nfs/dbraw/zinc/21/59/25/180215925.db2.gz ZOLOYIZBLJLCAJ-UHFFFAOYSA-N 1 0 234.299 1.641 50 0 BDAARO Cc1ncccc1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000309767049 180223544 /nfs/dbraw/zinc/22/35/44/180223544.db2.gz JQEWHLVGOJZNFV-JTQLQIEISA-N 1 0 216.288 1.964 50 0 BDAARO Cc1ncccc1OC[C@@H]1CCC[NH2+]C1 ZINC000019045336 180228505 /nfs/dbraw/zinc/22/85/05/180228505.db2.gz KVOGKFWZRAPRPY-LLVKDONJSA-N 1 0 206.289 1.768 50 0 BDAARO Cc1nccn1Cc1ccc(C[NH3+])cc1 ZINC000012399149 180268349 /nfs/dbraw/zinc/26/83/49/180268349.db2.gz CEQSLMXHFKCBTN-UHFFFAOYSA-N 1 0 201.273 1.699 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000601012718 350329822 /nfs/dbraw/zinc/32/98/22/350329822.db2.gz ZTMYCSZJYFOFQC-RKDXNWHRSA-N 1 0 214.309 1.604 50 0 BDAARO Cc1ncsc1CCSC(N)=[NH2+] ZINC000071404332 180310717 /nfs/dbraw/zinc/31/07/17/180310717.db2.gz GSHBVVGKDJIXOF-UHFFFAOYSA-N 1 0 201.320 1.621 50 0 BDAARO c1nnn([C@@H]2CCC[NH2+]CC2)c1-c1ncccn1 ZINC000725266167 538094368 /nfs/dbraw/zinc/09/43/68/538094368.db2.gz SISSWGJYISEKRO-SNVBAGLBSA-N 1 0 244.302 1.050 50 0 BDAARO O=C(C[NH+]1CCCCCC1)NC1CCCC1 ZINC000014194716 350659409 /nfs/dbraw/zinc/65/94/09/350659409.db2.gz MUXXHBUUVQEJKN-UHFFFAOYSA-N 1 0 224.348 1.921 50 0 BDAARO Clc1cncc(OCC2CC[NH2+]CC2)n1 ZINC000042783012 180599258 /nfs/dbraw/zinc/59/92/58/180599258.db2.gz ILKBZJFSACBQTL-UHFFFAOYSA-N 1 0 227.695 1.508 50 0 BDAARO COc1ccccc1C(=O)OCC[NH+](C)C ZINC000005170942 538100545 /nfs/dbraw/zinc/10/05/45/538100545.db2.gz OLIJYWAFUWTECE-UHFFFAOYSA-N 1 0 223.272 1.414 50 0 biogenic BDAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccccc1F ZINC000606441665 351767578 /nfs/dbraw/zinc/76/75/78/351767578.db2.gz JYEQFNVUZGUDIU-JMEBYUIHSA-N 1 0 248.301 1.659 50 0 BDAARO CC[N@H+](Cc1cccs1)[C@@H]1COC[C@H]1O ZINC000225846181 363135732 /nfs/dbraw/zinc/13/57/32/363135732.db2.gz ZMEYSTHXTWSWNP-GHMZBOCLSA-N 1 0 227.329 1.330 50 0 BDAARO CC[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000023363484 187764220 /nfs/dbraw/zinc/76/42/20/187764220.db2.gz CTPKPBTULPZITK-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO COCc1cc(=O)[nH]c(C2([NH3+])CCCCC2)n1 ZINC000068577010 187785756 /nfs/dbraw/zinc/78/57/56/187785756.db2.gz AHZUKCJFJZSZIV-UHFFFAOYSA-N 1 0 237.303 1.034 50 0 BDAARO C[n+]1ccn(C(=O)N2CCCCCC2)c1 ZINC000032628706 188466414 /nfs/dbraw/zinc/46/64/14/188466414.db2.gz VGAVJTVQCOPTDU-UHFFFAOYSA-N 1 0 208.285 1.157 50 0 BDAARO CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020816470 188463798 /nfs/dbraw/zinc/46/37/98/188463798.db2.gz PXKZVCOKJFOTQY-UHFFFAOYSA-N 1 0 232.327 1.787 50 0 BDAARO Fc1cccc2c1CCN1CC[NH2+]C[C@H]21 ZINC000019788475 181005128 /nfs/dbraw/zinc/00/51/28/181005128.db2.gz WKACMCSEGGICSS-GFCCVEGCSA-N 1 0 206.264 1.328 50 0 BDAARO Fc1ccccc1CCN1CC[NH2+]CC1 ZINC000019801176 181011316 /nfs/dbraw/zinc/01/13/16/181011316.db2.gz FDCWBEBDGNEOTE-UHFFFAOYSA-N 1 0 208.280 1.273 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000405692982 354841485 /nfs/dbraw/zinc/84/14/85/354841485.db2.gz DWZMTVBMIJZWLS-MBNYWOFBSA-N 1 0 234.343 1.946 50 0 BDAARO [NH2+]=C(NC[C@H]1Cc2ccccc2O1)NC1CC1 ZINC000052042724 181199180 /nfs/dbraw/zinc/19/91/80/181199180.db2.gz WENJKVJKFAYUJV-LLVKDONJSA-N 1 0 231.299 1.266 50 0 BDAARO [NH2+]=C(NCc1ccccc1)NCc1ccccn1 ZINC000057752369 181198867 /nfs/dbraw/zinc/19/88/67/181198867.db2.gz JKFQNRYMZOVPTE-UHFFFAOYSA-N 1 0 240.310 1.896 50 0 BDAARO O=C1N(C2CCCC2)CCC[C@@]12CC[NH2+]C2 ZINC000261361072 355818626 /nfs/dbraw/zinc/81/86/26/355818626.db2.gz CPTDDUWWBBIGKE-ZDUSSCGKSA-N 1 0 222.332 1.531 50 0 BDAARO NC(=O)C1([NH2+]CC2CCCCCC2)CC1 ZINC000097377194 181214515 /nfs/dbraw/zinc/21/45/15/181214515.db2.gz RWKNBQWINXQRQI-UHFFFAOYSA-N 1 0 210.321 1.564 50 0 BDAARO CC[NH+]1CCN(Cc2nnsc2Cl)CC1 ZINC000035164766 355862197 /nfs/dbraw/zinc/86/21/97/355862197.db2.gz DWZLVJHLISVSBY-UHFFFAOYSA-N 1 0 246.767 1.329 50 0 BDAARO NC(=O)C1CC[NH+](CCOc2ccccc2)CC1 ZINC000008317214 181216510 /nfs/dbraw/zinc/21/65/10/181216510.db2.gz ARWZMJXIHBFLBV-UHFFFAOYSA-N 1 0 248.326 1.263 50 0 BDAARO NC(=O)C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000097047205 181237280 /nfs/dbraw/zinc/23/72/80/181237280.db2.gz XSMXXDCFDPVDAT-CYBMUJFWSA-N 1 0 232.327 1.993 50 0 BDAARO NC(=O)CC[NH2+]Cc1ccccc1Cl ZINC000019736867 181225256 /nfs/dbraw/zinc/22/52/56/181225256.db2.gz QRFDCILODKNAHH-UHFFFAOYSA-N 1 0 212.680 1.305 50 0 BDAARO NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000060061599 181229224 /nfs/dbraw/zinc/22/92/24/181229224.db2.gz FFYUYIDHEFAOEB-ZDUSSCGKSA-N 1 0 230.311 1.624 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000012865295 181231695 /nfs/dbraw/zinc/23/16/95/181231695.db2.gz DCVXIZALJXOJQN-GFCCVEGCSA-N 1 0 218.300 1.179 50 0 BDAARO COCC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000052097095 356369937 /nfs/dbraw/zinc/36/99/37/356369937.db2.gz FPRYDCSAKUEEMX-GFCCVEGCSA-N 1 0 209.289 1.130 50 0 BDAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccncc1 ZINC000035272124 356466839 /nfs/dbraw/zinc/46/68/39/356466839.db2.gz BKPOOQNKYXLDFV-NSHDSACASA-N 1 0 216.288 1.456 50 0 BDAARO NC(=O)[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000066472831 181280027 /nfs/dbraw/zinc/28/00/27/181280027.db2.gz GPOBOYYAZZOPIX-WDEREUQCSA-N 1 0 208.305 1.435 50 0 BDAARO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000097113845 181280455 /nfs/dbraw/zinc/28/04/55/181280455.db2.gz WSHSBIGTBPXKGQ-STQMWFEESA-N 1 0 232.327 1.820 50 0 BDAARO CN(C)C(=O)C[N@H+](C)CCSC(C)(C)C ZINC000252510491 363473570 /nfs/dbraw/zinc/47/35/70/363473570.db2.gz ZMAFENZWCMMPHN-UHFFFAOYSA-N 1 0 232.393 1.538 50 0 BDAARO O[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccnc1 ZINC000085334233 538539725 /nfs/dbraw/zinc/53/97/25/538539725.db2.gz PSPZZTWRMQXWQB-HUUCEWRRSA-N 1 0 240.306 1.830 50 0 BDAARO FC(F)(F)c1ccnn1[C@@H]1CCC[NH2+]C1 ZINC000095464160 538605223 /nfs/dbraw/zinc/60/52/23/538605223.db2.gz WBDHZMTUSCULCA-SSDOTTSWSA-N 1 0 219.210 1.826 50 0 BDAARO O=C1C[C@@H]([NH2+]C2CCCCC2)CN1C1CC1 ZINC000098016426 538712978 /nfs/dbraw/zinc/71/29/78/538712978.db2.gz RUJNPMMSEHYRQB-LLVKDONJSA-N 1 0 222.332 1.672 50 0 BDAARO CCOC(=O)c1nc(CC[NH3+])sc1C ZINC000166502828 538726824 /nfs/dbraw/zinc/72/68/24/538726824.db2.gz UYIJYVCJBSDWFP-UHFFFAOYSA-N 1 0 214.290 1.129 50 0 BDAARO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC000063865499 357185941 /nfs/dbraw/zinc/18/59/41/357185941.db2.gz PVPYEWASVQBCNQ-TUAOUCFPSA-N 1 0 224.348 1.491 50 0 BDAARO CC(=O)N1CCC(C[NH3+])(C(F)(F)F)CC1 ZINC000685949112 538891830 /nfs/dbraw/zinc/89/18/30/538891830.db2.gz IMTHYPVDMJGAAI-UHFFFAOYSA-N 1 0 224.226 1.136 50 0 BDAARO CCc1nnc(SC[C@H]2CC[N@H+](C)C2)[nH]1 ZINC000191053758 357745229 /nfs/dbraw/zinc/74/52/29/357745229.db2.gz XOXLFHVFPJPWKK-QMMMGPOBSA-N 1 0 226.349 1.411 50 0 BDAARO C[NH+](C)CCCn1nc(N)c2cc(F)ccc21 ZINC000040449024 357949910 /nfs/dbraw/zinc/94/99/10/357949910.db2.gz WRUMQACGXDEROY-UHFFFAOYSA-N 1 0 236.294 1.709 50 0 BDAARO CC(C)CNC(=[NH2+])NCCc1ccccn1 ZINC000052040604 358076304 /nfs/dbraw/zinc/07/63/04/358076304.db2.gz MPIQFIWQNLTPFE-UHFFFAOYSA-N 1 0 220.320 1.394 50 0 BDAARO CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000041911134 358516065 /nfs/dbraw/zinc/51/60/65/358516065.db2.gz WVPRPUBFNTYSTC-AOOOYVTPSA-N 1 0 228.336 1.010 50 0 BDAARO Cc1occc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000046996412 358584146 /nfs/dbraw/zinc/58/41/46/358584146.db2.gz NMYFZTCRZMSXIF-QWHCGFSZSA-N 1 0 248.326 1.945 50 0 BDAARO C[C@@H]1CCC[N@H+](Cc2cccnc2)[C@@H]1CO ZINC000089929844 360047995 /nfs/dbraw/zinc/04/79/95/360047995.db2.gz XRYVWTACDBRXSH-DGCLKSJQSA-N 1 0 220.316 1.674 50 0 BDAARO Cc1ccc2[nH]c(=O)c(CC[NH3+])cc2c1 ZINC000011980275 219811116 /nfs/dbraw/zinc/81/11/16/219811116.db2.gz YBEDNZNGMNAEAT-UHFFFAOYSA-N 1 0 202.257 1.338 50 0 BDAARO C(C[C@H]1CCC[NH2+]C1)OC[C@H]1CCCO1 ZINC000014632357 219812655 /nfs/dbraw/zinc/81/26/55/219812655.db2.gz KZTXXCCGELOEEL-VXGBXAGGSA-N 1 0 213.321 1.572 50 0 BDAARO C(CC1CC[NH2+]CC1)OC[C@@H]1CCCO1 ZINC000014632387 219812760 /nfs/dbraw/zinc/81/27/60/219812760.db2.gz JTROWEUMRQNJCF-LBPRGKRZSA-N 1 0 213.321 1.572 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000006646773 360543274 /nfs/dbraw/zinc/54/32/74/360543274.db2.gz YZBHPTZUARKXKZ-VXGBXAGGSA-N 1 0 235.283 1.171 50 0 BDAARO NC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000052013225 181303069 /nfs/dbraw/zinc/30/30/69/181303069.db2.gz OFVDFTCQTUPUCU-CHWSQXEVSA-N 1 0 248.326 1.179 50 0 BDAARO Cc1cnc(-c2ccccc2)n1CC[NH3+] ZINC000169793060 361130368 /nfs/dbraw/zinc/13/03/68/361130368.db2.gz DOFJYIDBJMHZES-UHFFFAOYSA-N 1 0 201.273 1.817 50 0 BDAARO Cc1ccoc1[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000170072113 361387688 /nfs/dbraw/zinc/38/76/88/361387688.db2.gz GNBKKNAVCPBHOV-QWRGUYRKSA-N 1 0 236.315 1.907 50 0 BDAARO Cc1ccc([C@@H](C)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000170048216 361384422 /nfs/dbraw/zinc/38/44/22/361384422.db2.gz QQHCIZKFNNEHDS-GFCCVEGCSA-N 1 0 246.354 1.967 50 0 BDAARO [NH3+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000016764323 181332267 /nfs/dbraw/zinc/33/22/67/181332267.db2.gz MVDIDXWAEQOMCI-UHFFFAOYSA-N 1 0 209.264 1.876 50 0 BDAARO NC1(c2ccc(Br)cc2)C[NH2+]C1 ZINC000091691777 181334255 /nfs/dbraw/zinc/33/42/55/181334255.db2.gz TZYHNYTWJPAXNL-UHFFFAOYSA-N 1 0 227.105 1.206 50 0 BDAARO [NH3+]C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000036753389 181343335 /nfs/dbraw/zinc/34/33/35/181343335.db2.gz CPEQTSJGJWVATE-UHFFFAOYSA-N 1 0 227.695 1.231 50 0 BDAARO CC[C@@H](O)C[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000195561166 361703367 /nfs/dbraw/zinc/70/33/67/361703367.db2.gz CXEJJYGMPCNZAE-VXGBXAGGSA-N 1 0 239.363 1.849 50 0 BDAARO [NH3+]CC(=O)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000077504458 181347776 /nfs/dbraw/zinc/34/77/76/181347776.db2.gz GIBAWXRNPJLDQG-LBPRGKRZSA-N 1 0 236.290 1.838 50 0 BDAARO [NH3+]CC(=O)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000083943979 181350056 /nfs/dbraw/zinc/35/00/56/181350056.db2.gz LQFQVFJDZJNEIA-NSHDSACASA-N 1 0 236.290 1.175 50 0 BDAARO CCC[C@](C)([NH3+])C(=O)Nc1cccnc1OC ZINC000037622354 364340153 /nfs/dbraw/zinc/34/01/53/364340153.db2.gz YTXLTLHWSFNPTG-LBPRGKRZSA-N 1 0 237.303 1.546 50 0 BDAARO [NH3+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000034940527 181362440 /nfs/dbraw/zinc/36/24/40/181362440.db2.gz CHEZMMVHADBLRW-UHFFFAOYSA-N 1 0 235.283 1.422 50 0 BDAARO CC(=O)Nc1cc(NC(=O)CC[NH3+])ccc1F ZINC000037764685 364604110 /nfs/dbraw/zinc/60/41/10/364604110.db2.gz ITJHYKUIRUIPCU-UHFFFAOYSA-N 1 0 239.250 1.071 50 0 BDAARO [NH3+]CCC(=O)Nc1ccc(Br)cc1 ZINC000011755177 181369018 /nfs/dbraw/zinc/36/90/18/181369018.db2.gz AUTQMUXONQQRPW-UHFFFAOYSA-N 1 0 243.104 1.736 50 0 BDAARO C1CC1N1CC[C@@H]([NH2+][C@H]2CCN3CCCC[C@H]23)C1 ZINC000250877489 541441413 /nfs/dbraw/zinc/44/14/13/541441413.db2.gz UMGSGAJJBJCECI-VHDGCEQUSA-N 1 0 249.402 1.440 50 0 BDAARO [NH3+]CCNC(=O)[C@@H]1CCCc2ccccc21 ZINC000035650774 181394638 /nfs/dbraw/zinc/39/46/38/181394638.db2.gz ASNYEBSCXSIDAC-GFCCVEGCSA-N 1 0 218.300 1.181 50 0 BDAARO [NH3+][C@H]1CN(C(=O)OCc2ccccc2)CC12CC2 ZINC000107827721 368340329 /nfs/dbraw/zinc/34/03/29/368340329.db2.gz HQHBNTVXZGJLAI-LBPRGKRZSA-N 1 0 246.310 1.746 50 0 BDAARO c1nsnc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000204096087 368399501 /nfs/dbraw/zinc/39/95/01/368399501.db2.gz KBQPVTWWJDWAFE-UHFFFAOYSA-N 1 0 246.339 1.615 50 0 BDAARO CO[C@]1(C)OCc2c1[n+](=O)c1ccccc1n2O ZINC000135938707 368388253 /nfs/dbraw/zinc/38/82/53/368388253.db2.gz MQXZQGUCLBQMHX-GFCCVEGCSA-N 1 0 249.246 1.142 50 0 BDAARO c1ccc(-c2nnc3n2CC[NH2+]CC3)cc1 ZINC000212523943 368400800 /nfs/dbraw/zinc/40/08/00/368400800.db2.gz OARVITLKNNCRER-UHFFFAOYSA-N 1 0 214.272 1.091 50 0 BDAARO Cc1ncc(C[NH+]2CCC([C@H](C)CO)CC2)cn1 ZINC000584885053 369032537 /nfs/dbraw/zinc/03/25/37/369032537.db2.gz KAOUEYZGVLWXMR-LLVKDONJSA-N 1 0 249.358 1.625 50 0 BDAARO Cc1c(C(=O)N2CCN(C)[C@H](C)C2)ccn1C ZINC000584892775 369039621 /nfs/dbraw/zinc/03/96/21/369039621.db2.gz UKFHMUQTSRACEH-SNVBAGLBSA-N 1 0 235.331 1.110 50 0 BDAARO O=C(Nc1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000038436059 368987177 /nfs/dbraw/zinc/98/71/77/368987177.db2.gz PCXZBFXFLZIFEN-CYBMUJFWSA-N 1 0 230.311 1.967 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3cnccn3)c2O1 ZINC000067879630 181438172 /nfs/dbraw/zinc/43/81/72/181438172.db2.gz MOKJNFNJZICTFP-JTQLQIEISA-N 1 0 245.257 1.545 50 0 BDAARO CC(C)C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000060795653 369533314 /nfs/dbraw/zinc/53/33/14/369533314.db2.gz WCTWEBSAYAREGX-UHFFFAOYSA-N 1 0 212.337 1.443 50 0 BDAARO Cc1ccc2[nH+]c(C)cc(NCCO)c2c1 ZINC000013042881 371000628 /nfs/dbraw/zinc/00/06/28/371000628.db2.gz FMKFFZKRJPJGGU-UHFFFAOYSA-N 1 0 216.284 1.678 50 0 BDAARO CCOC(=O)[C@]1(CCCOC)CCC[NH2+]C1 ZINC000261361131 371058683 /nfs/dbraw/zinc/05/86/83/371058683.db2.gz QKCFQSYYXFVORP-LBPRGKRZSA-N 1 0 229.320 1.346 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000019430869 371145193 /nfs/dbraw/zinc/14/51/93/371145193.db2.gz OHNLKIUIFXVJHL-NSHDSACASA-N 1 0 212.337 1.762 50 0 BDAARO [NH3+][C@@H](CCn1cncn1)c1ccccc1 ZINC000004343559 181546543 /nfs/dbraw/zinc/54/65/43/181546543.db2.gz IJAOJMXDYLVVDI-NSHDSACASA-N 1 0 202.261 1.368 50 0 BDAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3CCCC3)C[C@H]12 ZINC000242087936 181592143 /nfs/dbraw/zinc/59/21/43/181592143.db2.gz WALAXMSPGJGGGP-GRYCIOLGSA-N 1 0 222.332 1.372 50 0 BDAARO [NH3+][C@H](C(=O)NCc1ccco1)c1ccccc1 ZINC000034717588 181605831 /nfs/dbraw/zinc/60/58/31/181605831.db2.gz SAEIUCCJXSRABA-LBPRGKRZSA-N 1 0 230.267 1.596 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000041028507 181643347 /nfs/dbraw/zinc/64/33/47/181643347.db2.gz SLAXLBNHLBVLFK-LBPRGKRZSA-N 1 0 218.300 1.179 50 0 BDAARO CCN1CCN(C(=O)CCn2cccc2)CC1 ZINC000021016566 371357070 /nfs/dbraw/zinc/35/70/70/371357070.db2.gz QNPWHTTWVPIIJF-UHFFFAOYSA-N 1 0 235.331 1.042 50 0 BDAARO COC(=O)N(C)CCCC[NH2+]C(C)(C)C ZINC000096027378 371382319 /nfs/dbraw/zinc/38/23/19/371382319.db2.gz RCZIDDVPTUABAX-UHFFFAOYSA-N 1 0 216.325 1.853 50 0 BDAARO CC(=O)N(C)c1ccccc1C[NH+](C)C ZINC000096027765 371383544 /nfs/dbraw/zinc/38/35/44/371383544.db2.gz BCDGDXGWVXARPG-UHFFFAOYSA-N 1 0 206.289 1.731 50 0 BDAARO Nc1cccc(OCC[NH+]2CCCC2)c1 ZINC000019731866 181747489 /nfs/dbraw/zinc/74/74/89/181747489.db2.gz YJDXLUSVVAGFFS-UHFFFAOYSA-N 1 0 206.289 1.743 50 0 BDAARO COCCC1(C(=O)Nc2ccncc2O)CC1 ZINC000097237572 371551830 /nfs/dbraw/zinc/55/18/30/371551830.db2.gz DIKNAJVDVHKEOX-UHFFFAOYSA-N 1 0 236.271 1.542 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000132495522 371841087 /nfs/dbraw/zinc/84/10/87/371841087.db2.gz HCENAOXIJPVTMZ-VIFPVBQESA-N 1 0 238.356 1.589 50 0 BDAARO O=C(CCC1CCCCC1)N1CC[NH2+]CC1 ZINC000033433691 181907442 /nfs/dbraw/zinc/90/74/42/181907442.db2.gz OMUGUMYARREANB-UHFFFAOYSA-N 1 0 224.348 1.779 50 0 BDAARO CC1(C)C[C@@]2(CCCN(CC[NH3+])C2)CCO1 ZINC000038193805 372417035 /nfs/dbraw/zinc/41/70/35/372417035.db2.gz YIECCTMCXLWQKT-CYBMUJFWSA-N 1 0 226.364 1.616 50 0 biogenic BDAARO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000243446685 372614193 /nfs/dbraw/zinc/61/41/93/372614193.db2.gz NEZMQXBGNRZNFF-QWHCGFSZSA-N 1 0 238.375 1.977 50 0 BDAARO O=C(NC1CCCCC1)OC[C@H]1CCC[NH2+]1 ZINC000086229964 182112570 /nfs/dbraw/zinc/11/25/70/182112570.db2.gz MJTQAKWQSBCIFP-LLVKDONJSA-N 1 0 226.320 1.797 50 0 BDAARO O=C(NC1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000019410097 182113146 /nfs/dbraw/zinc/11/31/46/182113146.db2.gz ITMQTKJOWDDCDH-LLVKDONJSA-N 1 0 210.321 1.577 50 0 BDAARO CCCCS(=O)(=O)N1CCC[N@H+](CC)CC1 ZINC000069737790 373677895 /nfs/dbraw/zinc/67/78/95/373677895.db2.gz KNXCLGWBHSSKQD-UHFFFAOYSA-N 1 0 248.392 1.144 50 0 BDAARO O=C(NCC[NH+]1CCCC1)Nc1ccccc1 ZINC000001739177 182185197 /nfs/dbraw/zinc/18/51/97/182185197.db2.gz LWCRLKWOERPECG-UHFFFAOYSA-N 1 0 233.315 1.904 50 0 BDAARO O=C(NCC[NH+]1CCCC1)c1ccccc1 ZINC000005637365 182185767 /nfs/dbraw/zinc/18/57/67/182185767.db2.gz ZTISWCXLXLMLLY-UHFFFAOYSA-N 1 0 218.300 1.512 50 0 BDAARO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000082487088 182199161 /nfs/dbraw/zinc/19/91/61/182199161.db2.gz KEHFBMCSDDWTBZ-VIFPVBQESA-N 1 0 224.329 1.478 50 0 BDAARO O=C(NCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000019413506 182256727 /nfs/dbraw/zinc/25/67/27/182256727.db2.gz WOXWRWOEURENTO-LLVKDONJSA-N 1 0 204.273 1.055 50 0 BDAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccoc1 ZINC000229385840 182303223 /nfs/dbraw/zinc/30/32/23/182303223.db2.gz SUTDZVVGZFTBBD-NEPJUHHUSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(Nc1cc(F)ccc1O)[C@@H]1CCC[NH2+]1 ZINC000238078809 182349526 /nfs/dbraw/zinc/34/95/26/182349526.db2.gz ZIUMHXJVMRQQFU-QMMMGPOBSA-N 1 0 224.235 1.222 50 0 BDAARO O=C1c2ccccc2CN1[C@@H]1CC[NH2+]C1 ZINC000040449800 182845773 /nfs/dbraw/zinc/84/57/73/182845773.db2.gz VWSCJPFMSDBIHM-SNVBAGLBSA-N 1 0 202.257 1.004 50 0 BDAARO OCC1CC[NH+](Cc2cccnc2)CC1 ZINC000012370850 183040555 /nfs/dbraw/zinc/04/05/55/183040555.db2.gz RAJQONMXWKPTTO-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO OCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000047958759 183041222 /nfs/dbraw/zinc/04/12/22/183041222.db2.gz UQIJLYGVLUEOGV-GFCCVEGCSA-N 1 0 213.321 1.260 50 0 BDAARO OCCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000071921840 183049540 /nfs/dbraw/zinc/04/95/40/183049540.db2.gz PDENXAIVFLTIPK-UHFFFAOYSA-N 1 0 220.316 1.819 50 0 BDAARO OCCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004897293 183053253 /nfs/dbraw/zinc/05/32/53/183053253.db2.gz STJLDSPZLJTFOQ-UHFFFAOYSA-N 1 0 223.272 1.277 50 0 BDAARO OCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000177689313 183073722 /nfs/dbraw/zinc/07/37/22/183073722.db2.gz GLGDGDYXBDYEGA-GFCCVEGCSA-N 1 0 209.264 1.955 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000005331412 183118966 /nfs/dbraw/zinc/11/89/66/183118966.db2.gz FNXJMDSDUPCAOP-GFCCVEGCSA-N 1 0 206.289 1.286 50 0 BDAARO CCCCc1ccc(NC(=O)C[NH3+])cc1 ZINC000004201711 169020451 /nfs/dbraw/zinc/02/04/51/169020451.db2.gz KLQUDGNQELJKOV-UHFFFAOYSA-N 1 0 206.289 1.926 50 0 BDAARO OC[C@H]([NH2+]CCN1CCCCC1)c1ccccc1 ZINC000097049695 183140263 /nfs/dbraw/zinc/14/02/63/183140263.db2.gz YWFHFNRELUHPNL-HNNXBMFYSA-N 1 0 248.370 1.796 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000000211032 183149876 /nfs/dbraw/zinc/14/98/76/183149876.db2.gz KCDLXIQEVPMPMI-JTQLQIEISA-N 1 0 211.330 1.952 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000000247549 183150938 /nfs/dbraw/zinc/15/09/38/183150938.db2.gz RWUHIEKWDSZKEQ-JTQLQIEISA-N 1 0 211.330 1.952 50 0 BDAARO O[C@@H](COc1ccccc1)C[NH+]1CCCC1 ZINC000003163679 183181807 /nfs/dbraw/zinc/18/18/07/183181807.db2.gz XEDQVFQFJYJTOY-GFCCVEGCSA-N 1 0 221.300 1.522 50 0 BDAARO O[C@@H](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000041242407 183183042 /nfs/dbraw/zinc/18/30/42/183183042.db2.gz QEMFQKAVIRRLIK-AAEUAGOBSA-N 1 0 223.291 1.729 50 0 BDAARO O[C@@H]1CCN(c2cc[nH+]c3ccccc32)C1 ZINC000061707399 183200405 /nfs/dbraw/zinc/20/04/05/183200405.db2.gz QTEPABSAFUCYNO-SNVBAGLBSA-N 1 0 214.268 1.806 50 0 BDAARO O[C@@H]1CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000335247466 183205257 /nfs/dbraw/zinc/20/52/57/183205257.db2.gz DOWIVNRFBUPAJY-YDYPAMBWSA-N 1 0 219.275 1.923 50 0 BDAARO O[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000047915853 183191696 /nfs/dbraw/zinc/19/16/96/183191696.db2.gz TUBMBDUWFXFNSW-GFCCVEGCSA-N 1 0 239.290 1.661 50 0 BDAARO O[C@@]1(c2ccccc2)C[NH+]2CCC1CC2 ZINC000000260916 183218123 /nfs/dbraw/zinc/21/81/23/183218123.db2.gz ZVLGYAHPSXELHP-CYBMUJFWSA-N 1 0 203.285 1.600 50 0 BDAARO O[C@H](CCc1ccccc1)C1CC[NH2+]CC1 ZINC000019088771 183219047 /nfs/dbraw/zinc/21/90/47/183219047.db2.gz KSJVCEXVUFHCQZ-CQSZACIVSA-N 1 0 219.328 1.980 50 0 BDAARO CCC[N@H+](CCN1CCOC1=O)CC1CC1 ZINC000065550275 169159362 /nfs/dbraw/zinc/15/93/62/169159362.db2.gz VBZRVCJQRQGDRN-UHFFFAOYSA-N 1 0 226.320 1.561 50 0 BDAARO Oc1cccc([C@H](O)C[NH2+]Cc2ccncc2)c1 ZINC000019797543 183294701 /nfs/dbraw/zinc/29/47/01/183294701.db2.gz OPAWZAUQYPUFQR-CQSZACIVSA-N 1 0 244.294 1.610 50 0 BDAARO CCC[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000016604932 169188737 /nfs/dbraw/zinc/18/87/37/169188737.db2.gz GNBTWGPTVMRQCA-GFCCVEGCSA-N 1 0 240.347 1.156 50 0 BDAARO c1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)ccn1 ZINC000020014315 183333658 /nfs/dbraw/zinc/33/36/58/183333658.db2.gz GQORLFNLGGODDD-SNVBAGLBSA-N 1 0 230.271 1.946 50 0 BDAARO c1cc(-c2nnc([C@H]3CC[NH2+]C3)o2)ccn1 ZINC000049169545 183332060 /nfs/dbraw/zinc/33/20/60/183332060.db2.gz RBACDHUYCHTGCT-VIFPVBQESA-N 1 0 216.244 1.209 50 0 biogenic,in-vitro BDAARO c1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000019089627 183332728 /nfs/dbraw/zinc/33/27/28/183332728.db2.gz VSJDOOYVZDYJOU-VIFPVBQESA-N 1 0 216.244 1.556 50 0 BDAARO S=C1NC2(CC[NH2+]CC2)Nc2ccccc21 ZINC000067341711 183312640 /nfs/dbraw/zinc/31/26/40/183312640.db2.gz OOBKHDIIVZVVHU-UHFFFAOYSA-N 1 0 233.340 1.457 50 0 BDAARO c1cc(CN2CC[NH+](C3CCC3)CC2)ccn1 ZINC000098013297 183345208 /nfs/dbraw/zinc/34/52/08/183345208.db2.gz MCDPXMIVDHIHRS-UHFFFAOYSA-N 1 0 231.343 1.752 50 0 BDAARO CCC[N@@H+]1CC[C@@H](CNCc2cncn2C)C1 ZINC000236786378 169206355 /nfs/dbraw/zinc/20/63/55/169206355.db2.gz HLFGNPGVHICWKJ-LBPRGKRZSA-N 1 0 236.363 1.242 50 0 BDAARO c1cc2c(c(-c3nc4c([nH]3)C[NH2+]CC4)c1)OCC2 ZINC000097805674 183364724 /nfs/dbraw/zinc/36/47/24/183364724.db2.gz BBFDGCSRHODBKL-UHFFFAOYSA-N 1 0 241.294 1.657 50 0 BDAARO c1cc(C[NH2+]C[C@H]2CCCO2)cc2c1OCO2 ZINC000000299710 183368406 /nfs/dbraw/zinc/36/84/06/183368406.db2.gz GSKKKMLEVJZIAD-LLVKDONJSA-N 1 0 235.283 1.684 50 0 BDAARO CCCNC(=O)OC[C@@H]1CCCC[NH2+]1 ZINC000086229840 169241563 /nfs/dbraw/zinc/24/15/63/169241563.db2.gz BMDXNVIYLLCJLN-VIFPVBQESA-N 1 0 200.282 1.265 50 0 BDAARO c1c(CN2CC[NH2+]CC2)onc1-c1ccccc1 ZINC000036946226 183379210 /nfs/dbraw/zinc/37/92/10/183379210.db2.gz RYDUBIPPZMQIGW-UHFFFAOYSA-N 1 0 243.310 1.747 50 0 BDAARO c1nc2c([nH]1)[C@H](c1ccncc1)[NH2+]CC2 ZINC000008733351 183362738 /nfs/dbraw/zinc/36/27/38/183362738.db2.gz RLBFZHROWYDVOA-JTQLQIEISA-N 1 0 200.245 1.040 50 0 biogenic BDAARO c1ccc(CC[NH2+]C2CCOCC2)cc1 ZINC000020522236 183393163 /nfs/dbraw/zinc/39/31/63/183393163.db2.gz WLKJVLXONNQXSE-UHFFFAOYSA-N 1 0 205.301 1.998 50 0 BDAARO c1ccc(CCN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000036471026 183393534 /nfs/dbraw/zinc/39/35/34/183393534.db2.gz ODYLTZRECSDWCJ-LSDHHAIUSA-N 1 0 230.355 1.913 50 0 BDAARO CCCOCCOC[C@@H]1CCC[NH2+]C1 ZINC000042776097 169310113 /nfs/dbraw/zinc/31/01/13/169310113.db2.gz JEWPDLWOAVLUQD-LLVKDONJSA-N 1 0 201.310 1.429 50 0 BDAARO c1[nH]c2ccccc2c1CCN1CC[NH2+]CC1 ZINC000019801181 183437540 /nfs/dbraw/zinc/43/75/40/183437540.db2.gz ZAJWVEMEALEQMZ-UHFFFAOYSA-N 1 0 229.327 1.616 50 0 BDAARO CCC[C@@H](COC)[NH2+]CCC(=O)OCC ZINC000070625702 169386071 /nfs/dbraw/zinc/38/60/71/169386071.db2.gz GRQBLEVTPZPHLD-JTQLQIEISA-N 1 0 217.309 1.344 50 0 BDAARO CC(C)(C)OC(=O)N1CC([C@@H]2CCC[NH2+]C2)C1 ZINC000090411815 166644588 /nfs/dbraw/zinc/64/45/88/166644588.db2.gz CGALLHHGALTGRV-SNVBAGLBSA-N 1 0 240.347 1.853 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000038343332 166655297 /nfs/dbraw/zinc/65/52/97/166655297.db2.gz WFPATFQNPHQQIG-ZJUUUORDSA-N 1 0 226.320 1.748 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000153826092 166690314 /nfs/dbraw/zinc/69/03/14/166690314.db2.gz REAHOQCUPVEKLK-VIFPVBQESA-N 1 0 230.377 1.386 50 0 BDAARO c1ccc2oc(N3CC[NH2+]CC3)nc2c1 ZINC000000802586 383881664 /nfs/dbraw/zinc/88/16/64/383881664.db2.gz HLKHIJZYKGDCJM-UHFFFAOYSA-N 1 0 203.245 1.237 50 0 BDAARO C[C@@H]1C[C@H]([NH2+]Cc2ccnn2C)CCO1 ZINC000069891294 383852559 /nfs/dbraw/zinc/85/25/59/383852559.db2.gz LRWOUURLVRSKOV-NXEZZACHSA-N 1 0 209.293 1.077 50 0 BDAARO COC[C@@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000000757839 383880449 /nfs/dbraw/zinc/88/04/49/383880449.db2.gz FXLAETVLXIQJQA-SNVBAGLBSA-N 1 0 205.301 1.778 50 0 BDAARO C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000035690903 383869317 /nfs/dbraw/zinc/86/93/17/383869317.db2.gz XTHRRRMGYZFWKR-NXEZZACHSA-N 1 0 227.352 1.472 50 0 BDAARO CC(=O)NCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000225566677 383873332 /nfs/dbraw/zinc/87/33/32/383873332.db2.gz FMZAUAZJZOZGMX-LBPRGKRZSA-N 1 0 242.388 1.340 50 0 BDAARO CC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000000120675 383830924 /nfs/dbraw/zinc/83/09/24/383830924.db2.gz RKHWHRHOEKYEJW-UHFFFAOYSA-N 1 0 203.285 1.897 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC2 ZINC000036871234 383913588 /nfs/dbraw/zinc/91/35/88/383913588.db2.gz NHNQITOPKGVSRI-LBPRGKRZSA-N 1 0 218.300 1.851 50 0 BDAARO CC(C)[C@H](C)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000070534258 383935691 /nfs/dbraw/zinc/93/56/91/383935691.db2.gz IRUXBDVBSZWLAP-QWRGUYRKSA-N 1 0 212.337 1.476 50 0 BDAARO Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1CCCNC1 ZINC000067541348 383929621 /nfs/dbraw/zinc/92/96/21/383929621.db2.gz IYBKZBXAYFWAMD-GFCCVEGCSA-N 1 0 236.363 1.301 50 0 BDAARO CC(C)COC(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21 ZINC000036263664 383892291 /nfs/dbraw/zinc/89/22/91/383892291.db2.gz RYIGOQFWMTVKTB-MXWKQRLJSA-N 1 0 226.320 1.461 50 0 BDAARO COC(=O)c1ccc(-c2ncc[nH]2)cc1 ZINC000001388071 383896186 /nfs/dbraw/zinc/89/61/86/383896186.db2.gz MWBQCVZOWZVSEX-UHFFFAOYSA-N 1 0 202.213 1.863 50 0 BDAARO c1cnc2cc3c(cc2n1)[C@H]1C[C@@H]3C[NH2+]C1 ZINC000001481833 383903250 /nfs/dbraw/zinc/90/32/50/383903250.db2.gz JQSHBVHOMNKWFT-DTORHVGOSA-N 1 0 211.268 1.804 50 0 fda BDAARO CC(=O)NCc1cn2cccc(C)c2n1 ZINC000071435390 383990976 /nfs/dbraw/zinc/99/09/76/383990976.db2.gz BNFOMWAJKODIMW-UHFFFAOYSA-N 1 0 203.245 1.279 50 0 BDAARO C[NH+](C)CCCOC(=O)c1ccccc1F ZINC000002900634 383994120 /nfs/dbraw/zinc/99/41/20/383994120.db2.gz KNZOGIQPKKUVAP-UHFFFAOYSA-N 1 0 225.263 1.934 50 0 BDAARO CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000002075033 383949707 /nfs/dbraw/zinc/94/97/07/383949707.db2.gz JCLZQRQJFXFGGK-GFCCVEGCSA-N 1 0 223.316 1.816 50 0 BDAARO C[C@@H](Cn1cncn1)[NH2+]CC1=CCCCC1 ZINC000067878815 383955465 /nfs/dbraw/zinc/95/54/65/383955465.db2.gz JVQAKVHOWMLMEU-NSHDSACASA-N 1 0 220.320 1.757 50 0 BDAARO [NH3+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000002513180 383969314 /nfs/dbraw/zinc/96/93/14/383969314.db2.gz VRYRZCFIBXSFEN-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO CC(=O)NC1CC(C)(C)[N+](=O)C(C)(C)C1 ZINC000003848555 384030742 /nfs/dbraw/zinc/03/07/42/384030742.db2.gz RZUULVZZWUBAGM-UHFFFAOYSA-O 1 0 213.301 1.621 50 0 BDAARO COC(=O)c1ccc(CSC(N)=[NH2+])o1 ZINC000003901877 384033578 /nfs/dbraw/zinc/03/35/78/384033578.db2.gz NRXCJQXKEOIFOH-UHFFFAOYSA-N 1 0 214.246 1.193 50 0 BDAARO COC(=O)C1=CC[N@H+](Cc2ccccc2)CC1 ZINC000090513128 384057128 /nfs/dbraw/zinc/05/71/28/384057128.db2.gz YZWZFDZCHPQVMK-UHFFFAOYSA-N 1 0 231.295 1.992 50 0 BDAARO C[C@]([NH3+])(CO)c1cccc(C(F)(F)F)c1 ZINC000038124554 384073952 /nfs/dbraw/zinc/07/39/52/384073952.db2.gz PSTGWKXZTJABFG-VIFPVBQESA-N 1 0 219.206 1.872 50 0 BDAARO Cc1cc(C)c(N2CC[C@@H]([NH3+])C2=O)c(C)c1 ZINC000070061985 384075185 /nfs/dbraw/zinc/07/51/85/384075185.db2.gz QWDBPCCXEXIGAV-LLVKDONJSA-N 1 0 218.300 1.676 50 0 BDAARO C[NH+](C)C[C@@H](O)[C@@H]1CCOC(C)(C)C1 ZINC000004697677 384075694 /nfs/dbraw/zinc/07/56/94/384075694.db2.gz JIWIONXENNGZDF-NXEZZACHSA-N 1 0 201.310 1.114 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000004999745 384095734 /nfs/dbraw/zinc/09/57/34/384095734.db2.gz HKZOFDWPBMDYHA-NSHDSACASA-N 1 0 237.299 1.318 50 0 BDAARO CN1CC2(CC[NH2+]CC2)c2ccccc21 ZINC000039149233 384108347 /nfs/dbraw/zinc/10/83/47/384108347.db2.gz PLEHSLVXSJBCKV-UHFFFAOYSA-N 1 0 202.301 1.758 50 0 BDAARO O=C(OCc1ccccc1)N1CC[C@]2(CC[NH2+]2)C1 ZINC000091302504 384114746 /nfs/dbraw/zinc/11/47/46/384114746.db2.gz OOQXVAQAZSHCCR-CQSZACIVSA-N 1 0 246.310 1.761 50 0 BDAARO Cc1nnc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)s1 ZINC000091326372 384117659 /nfs/dbraw/zinc/11/76/59/384117659.db2.gz FHLGFDPMVIGBAC-ZJUUUORDSA-N 1 0 238.360 1.016 50 0 BDAARO CCC[C@H]1CN(Cc2cnc(C)cn2)C[C@@H]1[NH3+] ZINC000091663137 384135696 /nfs/dbraw/zinc/13/56/96/384135696.db2.gz OPXYZTDVJZBSOB-AAEUAGOBSA-N 1 0 234.347 1.344 50 0 BDAARO Nc1cc(-c2cccc3c2CC[NH2+]C3)ncn1 ZINC000071751899 384176540 /nfs/dbraw/zinc/17/65/40/384176540.db2.gz NKJCCFHNBSYJQA-UHFFFAOYSA-N 1 0 226.283 1.372 50 0 BDAARO COC(CCC[NH3+])(OC)c1ccccc1 ZINC000071405421 384165347 /nfs/dbraw/zinc/16/53/47/384165347.db2.gz BDDLCFQUSFLKJK-UHFFFAOYSA-N 1 0 209.289 1.871 50 0 BDAARO CC(C)C[C@@H]([NH2+]CC(N)=O)c1cccs1 ZINC000097373827 384176224 /nfs/dbraw/zinc/17/62/24/384176224.db2.gz JFNVKUSOCULDQI-SECBINFHSA-N 1 0 226.345 1.910 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1cc[nH]n1 ZINC000097376938 384182988 /nfs/dbraw/zinc/18/29/88/384182988.db2.gz DRJVCHGLQDIMRR-GFCCVEGCSA-N 1 0 222.336 1.182 50 0 BDAARO C[C@H]1OCC[C@]1(C)[NH2+]CCN1CCCCC1 ZINC000309828617 384184148 /nfs/dbraw/zinc/18/41/48/384184148.db2.gz XXPPZZYJYFKPQZ-OLZOCXBDSA-N 1 0 226.364 1.629 50 0 BDAARO C[C@@H]1OCC[C@@]1(C)[NH2+]CCN1CCCCC1 ZINC000309828619 384184180 /nfs/dbraw/zinc/18/41/80/384184180.db2.gz XXPPZZYJYFKPQZ-QWHCGFSZSA-N 1 0 226.364 1.629 50 0 BDAARO C[NH+](C)CCCNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000002773389 384187900 /nfs/dbraw/zinc/18/79/00/384187900.db2.gz CRFRLGAHNGYWIG-KGLIPLIRSA-N 1 0 246.354 1.858 50 0 BDAARO Cc1n[nH]c(C)c1C[NH2+]CC[C@H]1CCCO1 ZINC000038096160 384191026 /nfs/dbraw/zinc/19/10/26/384191026.db2.gz ILPFWQCDPNQJSJ-LLVKDONJSA-N 1 0 223.320 1.685 50 0 BDAARO C[C@@]1(F)CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000336268730 384195385 /nfs/dbraw/zinc/19/53/85/384195385.db2.gz HTKAGWQFCIBTJY-WDEREUQCSA-N 1 0 201.285 1.847 50 0 BDAARO C[C@]1(F)CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000336267283 384196040 /nfs/dbraw/zinc/19/60/40/384196040.db2.gz CVAWVNMVMKMVAZ-QWRGUYRKSA-N 1 0 217.284 1.226 50 0 BDAARO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336266721 384196491 /nfs/dbraw/zinc/19/64/91/384196491.db2.gz IIJAEIVUBRINEK-QWRGUYRKSA-N 1 0 217.284 1.150 50 0 BDAARO COCCc1ccc(OC2C[NH2+]C2)cc1 ZINC000042769678 384240840 /nfs/dbraw/zinc/24/08/40/384240840.db2.gz YRXIVXLCVLWMRG-UHFFFAOYSA-N 1 0 207.273 1.226 50 0 BDAARO CC(C)c1nnc(NC(=O)[C@H]2CCC[NH2+]2)s1 ZINC000073350801 384249304 /nfs/dbraw/zinc/24/93/04/384249304.db2.gz DDIPZUQQBRWLPD-SSDOTTSWSA-N 1 0 240.332 1.352 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(F)cc1 ZINC000000213474 384267820 /nfs/dbraw/zinc/26/78/20/384267820.db2.gz XLSAVXTWRCBMRA-UHFFFAOYSA-N 1 0 210.252 1.117 50 0 BDAARO COC(=O)c1ccc(C[NH2+]C(C)(C)C)o1 ZINC000000186088 384270329 /nfs/dbraw/zinc/27/03/29/384270329.db2.gz SRPJENHPLLVPEC-UHFFFAOYSA-N 1 0 211.261 1.954 50 0 BDAARO [NH3+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000011978559 384305463 /nfs/dbraw/zinc/30/54/63/384305463.db2.gz FMSWKLRKGQECQK-SSDOTTSWSA-N 1 0 217.671 1.589 50 0 BDAARO O=C1c2ccccc2C(=O)N1CC[NH+]1CCCC1 ZINC000004599379 384311797 /nfs/dbraw/zinc/31/17/97/384311797.db2.gz VCEZRMWCXQARAP-UHFFFAOYSA-N 1 0 244.294 1.378 50 0 BDAARO Fc1ccccc1[C@@H]1NCC[C@H]2[NH+]=CN[C@@H]21 ZINC000012375427 384317330 /nfs/dbraw/zinc/31/73/30/384317330.db2.gz CUGLGYBRHHCWRK-WOPDTQHZSA-N 1 0 219.263 1.229 50 0 BDAARO Cc1nnc(SC[C@@H]2CCC[NH2+]2)s1 ZINC000043497416 384278915 /nfs/dbraw/zinc/27/89/15/384278915.db2.gz VOIXZQSLLLGXGW-ZETCQYMHSA-N 1 0 215.347 1.691 50 0 BDAARO CC[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000097019860 384285807 /nfs/dbraw/zinc/28/58/07/384285807.db2.gz JWNYKMDADUNAHQ-NSHDSACASA-N 1 0 224.348 1.764 50 0 BDAARO CSCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000023282215 384302374 /nfs/dbraw/zinc/30/23/74/384302374.db2.gz ROVISEVTHMLOQI-UWVGGRQHSA-N 1 0 203.351 1.849 50 0 BDAARO Cn1cccc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000095409665 384374615 /nfs/dbraw/zinc/37/46/15/384374615.db2.gz NHUWSKOLNMMLEN-LSDHHAIUSA-N 1 0 242.322 1.773 50 0 BDAARO Cc1cnc(N[C@@H]2COC3(C2)CC[NH2+]CC3)nc1 ZINC000095364486 384372557 /nfs/dbraw/zinc/37/25/57/384372557.db2.gz PBHFVBNRXZNQRJ-NSHDSACASA-N 1 0 248.330 1.108 50 0 BDAARO [NH3+][C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000095742994 384392915 /nfs/dbraw/zinc/39/29/15/384392915.db2.gz WENOQIOUQAFDMC-GXTWGEPZSA-N 1 0 246.310 1.746 50 0 BDAARO COc1nc(Br)ccc1C[NH3+] ZINC000095830234 384400051 /nfs/dbraw/zinc/40/00/51/384400051.db2.gz NOTNZNQRYKOSCL-UHFFFAOYSA-N 1 0 217.066 1.311 50 0 BDAARO CC(C)[N@H+](CC(=O)NC(N)=O)Cc1ccccc1 ZINC000014898099 384408916 /nfs/dbraw/zinc/40/89/16/384408916.db2.gz VBEMEYDOFLKHNZ-UHFFFAOYSA-N 1 0 249.314 1.092 50 0 BDAARO c1cn(Cc2ccccn2)c(C2CC[NH2+]CC2)n1 ZINC000096032234 384421982 /nfs/dbraw/zinc/42/19/82/384421982.db2.gz MDUBJKFKBHJSLJ-UHFFFAOYSA-N 1 0 242.326 1.793 50 0 BDAARO CC(C)[C@H]1CN(C)CC[N@@H+]1CC1=CCCOC1 ZINC000097139318 384379524 /nfs/dbraw/zinc/37/95/24/384379524.db2.gz QSMDVCGUNQJQRT-CQSZACIVSA-N 1 0 238.375 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC000095630134 384385938 /nfs/dbraw/zinc/38/59/38/384385938.db2.gz AIGHVUMGNOAZIB-SNVBAGLBSA-N 1 0 218.272 1.294 50 0 BDAARO CC(C)(C)CC[NH2+][C@@]1(CCO)CCOC1 ZINC000309008225 384391285 /nfs/dbraw/zinc/39/12/85/384391285.db2.gz QTELYURVZQZUOV-LBPRGKRZSA-N 1 0 215.337 1.554 50 0 BDAARO CN(CC[NH+](C)C)C(=O)Nc1ccc(F)nc1 ZINC000096137147 384436393 /nfs/dbraw/zinc/43/63/93/384436393.db2.gz JXKPJODEGJXZPL-UHFFFAOYSA-N 1 0 240.282 1.246 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC000079035482 384479169 /nfs/dbraw/zinc/47/91/69/384479169.db2.gz MPIIBGAKGQZLDK-JGVFFNPUSA-N 1 0 218.272 1.211 50 0 BDAARO c1cncc(-c2noc([C@H]3CCCC[NH2+]3)n2)c1 ZINC000019233009 384512618 /nfs/dbraw/zinc/51/26/18/384512618.db2.gz SOADWPCYWPCEDK-SNVBAGLBSA-N 1 0 230.271 1.946 50 0 BDAARO Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000019275466 384516708 /nfs/dbraw/zinc/51/67/08/384516708.db2.gz SRDKKXSDUFFOAR-LBPRGKRZSA-N 1 0 218.300 1.477 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000050892442 384523321 /nfs/dbraw/zinc/52/33/21/384523321.db2.gz SAEJTUCVNHSXEE-SNVBAGLBSA-N 1 0 246.310 1.042 50 0 BDAARO CN(Cc1ccccc1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000019410556 384523482 /nfs/dbraw/zinc/52/34/82/384523482.db2.gz LLIJVFXHWWTBCP-ZDUSSCGKSA-N 1 0 232.327 1.645 50 0 BDAARO FC(F)(F)c1cc([C@H]2CCC[NH2+]C2)[nH]n1 ZINC000019686210 384530729 /nfs/dbraw/zinc/53/07/29/384530729.db2.gz SUYFEJKANXXCAT-LURJTMIESA-N 1 0 219.210 1.896 50 0 BDAARO [NH3+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000019841021 384543532 /nfs/dbraw/zinc/54/35/32/384543532.db2.gz QBOZYQWTVVSEFZ-MRVPVSSYSA-N 1 0 235.205 1.404 50 0 BDAARO CN(C)CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000019872473 384549872 /nfs/dbraw/zinc/54/98/72/384549872.db2.gz CYNNNCWGWJKDIV-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000019904765 384556061 /nfs/dbraw/zinc/55/60/61/384556061.db2.gz YEJQTWHNKLYFDQ-SNVBAGLBSA-N 1 0 237.299 1.598 50 0 BDAARO [NH3+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000019771637 384538014 /nfs/dbraw/zinc/53/80/14/384538014.db2.gz HQHPLUZEYNYOLB-LBPRGKRZSA-N 1 0 224.279 1.158 50 0 BDAARO C1CCc2[nH]c(C3CC[NH2+]CC3)nc2C1 ZINC000049813291 384568033 /nfs/dbraw/zinc/56/80/33/384568033.db2.gz YWXZSOWUJSIBDJ-UHFFFAOYSA-N 1 0 205.305 1.756 50 0 BDAARO c1ccc2oc(CN3CCC[NH2+]CC3)nc2c1 ZINC000020286744 384610661 /nfs/dbraw/zinc/61/06/61/384610661.db2.gz XOVXRARMJHKWGS-UHFFFAOYSA-N 1 0 231.299 1.623 50 0 BDAARO C[C@@H](C[C@H](O)c1ccco1)[NH2+]Cc1cnn(C)c1 ZINC000095448849 384618797 /nfs/dbraw/zinc/61/87/97/384618797.db2.gz GQFCMFZSXRZVGF-JQWIXIFHSA-N 1 0 249.314 1.615 50 0 BDAARO C1CCN2[C@H](C1)N1CCCC[C@H]1[C@H]1CCC[NH2+][C@H]12 ZINC000103109449 384596551 /nfs/dbraw/zinc/59/65/51/384596551.db2.gz BJPDKJGEOOTNHF-BARDWOONSA-N 1 0 249.402 1.992 50 0 BDAARO CC(C)(C)OC(=O)N1CC2(C1)CCCC[NH2+]2 ZINC000082359771 384676311 /nfs/dbraw/zinc/67/63/11/384676311.db2.gz WOEVFMCHVPQPPS-UHFFFAOYSA-N 1 0 226.320 1.749 50 0 BDAARO Cc1ccc(C[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000051581370 384671816 /nfs/dbraw/zinc/67/18/16/384671816.db2.gz JBPMLIRZXQJDRX-NSHDSACASA-N 1 0 221.300 1.869 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2[NH2+]CCC[C@H]21 ZINC000082359766 384674156 /nfs/dbraw/zinc/67/41/56/384674156.db2.gz XEDSJRNOTLOESP-VHSXEESVSA-N 1 0 226.320 1.748 50 0 BDAARO c1ccc2c(c1)CC[C@@H](N1CC[NH2+]CC1)C2 ZINC000020999719 384646233 /nfs/dbraw/zinc/64/62/33/384646233.db2.gz KEFHPVYDYSDBRR-CQSZACIVSA-N 1 0 216.328 1.449 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000082359770 384675458 /nfs/dbraw/zinc/67/54/58/384675458.db2.gz LPNOEYLQBVUWGH-ZJUUUORDSA-N 1 0 226.320 1.605 50 0 BDAARO CC1(C)CCC[N@@H+]1CCCN1CCOCC1 ZINC000075713181 384694919 /nfs/dbraw/zinc/69/49/19/384694919.db2.gz JXLFVQANPKDFCH-UHFFFAOYSA-N 1 0 226.364 1.583 50 0 BDAARO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CC(N)=O ZINC000076808335 384701102 /nfs/dbraw/zinc/70/11/02/384701102.db2.gz NKFVQCWJTUIPIY-ONGXEEELSA-N 1 0 236.290 1.489 50 0 BDAARO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(N)=O ZINC000076808339 384701563 /nfs/dbraw/zinc/70/15/63/384701563.db2.gz NKFVQCWJTUIPIY-MWLCHTKSSA-N 1 0 236.290 1.489 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H](F)C1 ZINC000051971091 384708468 /nfs/dbraw/zinc/70/84/68/384708468.db2.gz ZQRYPCAUVKVMLZ-YUMQZZPRSA-N 1 0 218.272 1.293 50 0 BDAARO c1c2c(nnc1N[C@@H]1CCC[NH2+]C1)CCC2 ZINC000258958629 384713403 /nfs/dbraw/zinc/71/34/03/384713403.db2.gz SWPDBEVQJDDIMB-SNVBAGLBSA-N 1 0 218.304 1.129 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000103538983 384778085 /nfs/dbraw/zinc/77/80/85/384778085.db2.gz OVVBOBKSGLYQRG-ZKCHVHJHSA-N 1 0 200.282 1.248 50 0 BDAARO [NH3+]C[C@@H](c1ccc(F)cc1F)N1CCOCC1 ZINC000022170273 384739396 /nfs/dbraw/zinc/73/93/96/384739396.db2.gz HNBKRBNCOPFYKB-LBPRGKRZSA-N 1 0 242.269 1.297 50 0 BDAARO C[C@@H]([NH3+])c1cccc(NS(C)(=O)=O)c1 ZINC000022216792 384742789 /nfs/dbraw/zinc/74/27/89/384742789.db2.gz GUHVSIGNWLMEHH-SSDOTTSWSA-N 1 0 214.290 1.078 50 0 BDAARO CCC[C@H]1C[NH2+]CCN1Cc1cccnc1 ZINC000082926867 384748007 /nfs/dbraw/zinc/74/80/07/384748007.db2.gz IVOAYRZDFMOCCH-ZDUSSCGKSA-N 1 0 219.332 1.656 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1C[NH3+] ZINC000178270329 384749029 /nfs/dbraw/zinc/74/90/29/384749029.db2.gz PKLLPFLHIQDACS-VFNNOXKTSA-N 1 0 244.338 1.958 50 0 BDAARO CC[N@H+](C/C=C/c1ccccc1)[C@@H]1CCNC1=O ZINC000282379979 384751489 /nfs/dbraw/zinc/75/14/89/384751489.db2.gz OKCUERLRLQJWCC-VIIAAUOXSA-N 1 0 244.338 1.910 50 0 BDAARO CCC(CC)[C@@H](C[NH3+])N1CCOCC1 ZINC000022921540 384779814 /nfs/dbraw/zinc/77/98/14/384779814.db2.gz JUMTWIVSFPSIQO-LLVKDONJSA-N 1 0 200.326 1.082 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]([NH3+])C(C)(C)C ZINC000144594959 384759166 /nfs/dbraw/zinc/75/91/66/384759166.db2.gz OTSWUUVDIYKZTD-QMMMGPOBSA-N 1 0 216.325 1.885 50 0 BDAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cscn1 ZINC000084212492 384761060 /nfs/dbraw/zinc/76/10/60/384761060.db2.gz YUBAHAUFVLCCKB-SFYZADRCSA-N 1 0 225.317 1.000 50 0 BDAARO CN(CC[N@H+](C)C1CC1)C(=O)c1ccsn1 ZINC000294997693 384787720 /nfs/dbraw/zinc/78/77/20/384787720.db2.gz NUNBADLLSVNLAJ-UHFFFAOYSA-N 1 0 239.344 1.309 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000054369428 384836632 /nfs/dbraw/zinc/83/66/32/384836632.db2.gz QVHRZTCVBFHPAR-CYBMUJFWSA-N 1 0 246.354 1.666 50 0 BDAARO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc[nH]n1 ZINC000188036289 384802851 /nfs/dbraw/zinc/80/28/51/384802851.db2.gz VFLKSEIXNVVQNI-ZDUSSCGKSA-N 1 0 237.347 1.783 50 0 BDAARO CC(C)(C)CC[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000188273937 384871392 /nfs/dbraw/zinc/87/13/92/384871392.db2.gz ANRKTCXDCYHBTM-SNVBAGLBSA-N 1 0 224.348 1.776 50 0 BDAARO CN1CCC([NH2+]Cc2cccnc2)CC1 ZINC000054957068 384861606 /nfs/dbraw/zinc/86/16/06/384861606.db2.gz OMTMWLSXGHRLID-UHFFFAOYSA-N 1 0 205.305 1.265 50 0 BDAARO [NH3+]C[C@@H]1CCN(Cc2ccccc2F)C1 ZINC000054956853 384861996 /nfs/dbraw/zinc/86/19/96/384861996.db2.gz LPGFHFDNRSIKNH-JTQLQIEISA-N 1 0 208.280 1.606 50 0 BDAARO [NH3+]CC[C@](O)(c1ccccc1)C(F)(F)F ZINC000057218406 384932610 /nfs/dbraw/zinc/93/26/10/384932610.db2.gz SXMGSHLECMUKLG-VIFPVBQESA-N 1 0 219.206 1.785 50 0 BDAARO CC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000058203132 384990187 /nfs/dbraw/zinc/99/01/87/384990187.db2.gz RPDOQDJYZDMFQF-JTQLQIEISA-N 1 0 238.306 1.955 50 0 BDAARO Cc1ccc(Nc2ccc(NCC[NH3+])nn2)nc1 ZINC000206580379 384996681 /nfs/dbraw/zinc/99/66/81/384996681.db2.gz CUSSMKYLIIXGJG-UHFFFAOYSA-N 1 0 244.302 1.294 50 0 BDAARO [NH3+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000088131091 385047493 /nfs/dbraw/zinc/04/74/93/385047493.db2.gz RRGCEPRETOARED-UHFFFAOYSA-N 1 0 231.343 1.300 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@](C)([NH3+])C1CC1 ZINC000060279989 385075587 /nfs/dbraw/zinc/07/55/87/385075587.db2.gz IZRPKDHEVZDZET-LLVKDONJSA-N 1 0 214.309 1.639 50 0 BDAARO C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)CC[NH3+] ZINC000269055625 385184412 /nfs/dbraw/zinc/18/44/12/385184412.db2.gz GRBKPGYJAASFSK-OCCSQVGLSA-N 1 0 246.354 1.815 50 0 BDAARO CN1C(=O)CC[C@@H]([NH3+])[C@H]1c1cccs1 ZINC000062211249 385164686 /nfs/dbraw/zinc/16/46/86/385164686.db2.gz YDYGHSWEGVRINQ-XCBNKYQSSA-N 1 0 210.302 1.369 50 0 BDAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(N)=O)C1 ZINC000096441702 385167484 /nfs/dbraw/zinc/16/74/84/385167484.db2.gz ZBXZXYBPSXPNKN-DTWKUNHWSA-N 1 0 216.350 1.078 50 0 BDAARO COC[C@](C)(CCO)[NH2+][C@H]1C=CCCC1 ZINC000096461292 385179886 /nfs/dbraw/zinc/17/98/86/385179886.db2.gz JXPIGIQHTAOZTF-RYUDHWBXSA-N 1 0 213.321 1.472 50 0 BDAARO CC(C)c1cccc2c1OCC[C@H]([NH3+])[C@H]2O ZINC000062610699 385244367 /nfs/dbraw/zinc/24/43/67/385244367.db2.gz HWSLSDIQOFADNF-RYUDHWBXSA-N 1 0 221.300 1.953 50 0 BDAARO Cc1ccc(C)c(Cn2cc(C[NH3+])nn2)c1 ZINC000050224527 385312881 /nfs/dbraw/zinc/31/28/81/385312881.db2.gz FRHILLONCNFSQP-UHFFFAOYSA-N 1 0 216.288 1.402 50 0 BDAARO c1ccc2c(c1)C[C@@H](C1CC[NH2+]CC1)O2 ZINC000023508964 385267717 /nfs/dbraw/zinc/26/77/17/385267717.db2.gz KDBAMHHAMQBFCQ-ZDUSSCGKSA-N 1 0 203.285 1.990 50 0 BDAARO Cc1cnc(C[C@@H]2CC[NH2+]C2)n1C1CC1 ZINC000169676760 385416902 /nfs/dbraw/zinc/41/69/02/385416902.db2.gz OFQUTIWAUDMXIA-JTQLQIEISA-N 1 0 205.305 1.678 50 0 BDAARO Cc1cnc(C2CC2)n1[C@@H]1CCC[NH2+]C1 ZINC000169676812 385417572 /nfs/dbraw/zinc/41/75/72/385417572.db2.gz YJSPWPJDLLYSKD-LLVKDONJSA-N 1 0 205.305 1.993 50 0 BDAARO Cc1ccc(CC[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000584906962 385465418 /nfs/dbraw/zinc/46/54/18/385465418.db2.gz NKFDNQOPUBBZRO-CYBMUJFWSA-N 1 0 232.327 1.345 50 0 BDAARO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250215401 385597935 /nfs/dbraw/zinc/59/79/35/385597935.db2.gz TZCZOTYQUJQXOU-TZMCWYRMSA-N 1 0 246.354 1.953 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH3+])C[C@H]2C1 ZINC000250590960 385602404 /nfs/dbraw/zinc/60/24/04/385602404.db2.gz LLTJKZQPTQJCDC-GARJFASQSA-N 1 0 240.347 1.981 50 0 BDAARO C[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000067172942 385627898 /nfs/dbraw/zinc/62/78/98/385627898.db2.gz XGJOYHWLQXYOPI-LBPRGKRZSA-N 1 0 234.299 1.617 50 0 BDAARO Fc1ccc(C[NH2+][C@H]2CCSC2)nc1 ZINC000307708966 385787030 /nfs/dbraw/zinc/78/70/30/385787030.db2.gz KUTLUGZKDNDKEJ-JTQLQIEISA-N 1 0 212.293 1.816 50 0 BDAARO C[NH+](C)C[C@@H]1COCCN(Cc2ccoc2)C1 ZINC000216277914 385863636 /nfs/dbraw/zinc/86/36/36/385863636.db2.gz PJZOCLIHFQEYFA-ZDUSSCGKSA-N 1 0 238.331 1.290 50 0 BDAARO [NH3+]Cc1ccnc(OC2CCC(=O)CC2)c1 ZINC000217036622 385876646 /nfs/dbraw/zinc/87/66/46/385876646.db2.gz RCDZYQUITJZVJY-UHFFFAOYSA-N 1 0 220.272 1.431 50 0 BDAARO CC(C)C[C@H]([NH2+]C(CO)CO)c1cccs1 ZINC000095968599 385881066 /nfs/dbraw/zinc/88/10/66/385881066.db2.gz DXAQDNCTFWJWTO-NSHDSACASA-N 1 0 243.372 1.778 50 0 BDAARO c1csc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000263625102 386160132 /nfs/dbraw/zinc/16/01/32/386160132.db2.gz WSZMESVHFZZJOG-BRPSZJMVSA-N 1 0 210.302 1.805 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccn1C ZINC000063192914 386367214 /nfs/dbraw/zinc/36/72/14/386367214.db2.gz ZQEKQUXDOQPKCI-WDEREUQCSA-N 1 0 235.331 1.367 50 0 BDAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccncc1 ZINC000063193434 386367705 /nfs/dbraw/zinc/36/77/05/386367705.db2.gz UOUPBGCZAGQZKH-CMPLNLGQSA-N 1 0 233.315 1.424 50 0 BDAARO Cc1cc(C)c(CNC(=O)[C@@H](C)[NH+](C)C)cn1 ZINC000426382908 386474184 /nfs/dbraw/zinc/47/41/84/386474184.db2.gz KODSVAUQURYHFH-LLVKDONJSA-N 1 0 235.331 1.265 50 0 BDAARO [NH3+]C[C@H]1CC(Cc2cccc(F)c2)=NO1 ZINC000299790768 386489209 /nfs/dbraw/zinc/48/92/09/386489209.db2.gz CAEWBOJNCQLQOB-LLVKDONJSA-N 1 0 208.236 1.472 50 0 BDAARO Cc1cc(F)cc(C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000135241559 386496056 /nfs/dbraw/zinc/49/60/56/386496056.db2.gz NPBZVZFIYMCMGN-LBPRGKRZSA-N 1 0 236.290 1.697 50 0 BDAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000063693680 386578697 /nfs/dbraw/zinc/57/86/97/386578697.db2.gz QCMOKYGCJWFHBU-GFCCVEGCSA-N 1 0 226.364 1.879 50 0 BDAARO C[NH+](C)C1(CNC(=O)c2cncnc2)CCCC1 ZINC000273603353 386546404 /nfs/dbraw/zinc/54/64/04/386546404.db2.gz GLVQPRBLTBVPNV-UHFFFAOYSA-N 1 0 248.330 1.081 50 0 BDAARO Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)ccc1F ZINC000063055879 386659130 /nfs/dbraw/zinc/65/91/30/386659130.db2.gz FENHWVQRRDPGLL-LLVKDONJSA-N 1 0 236.290 1.616 50 0 BDAARO C[NH+](C)CC(=O)NC1CCC(F)(F)CC1 ZINC000336612314 386719655 /nfs/dbraw/zinc/71/96/55/386719655.db2.gz GLXCVEVAVVITME-UHFFFAOYSA-N 1 0 220.263 1.242 50 0 BDAARO C[NH+](C)C1CN(C(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC000335537699 386743418 /nfs/dbraw/zinc/74/34/18/386743418.db2.gz AEQQPWJFPJRELC-ZJUUUORDSA-N 1 0 228.311 1.287 50 0 BDAARO C[C@@H](NS(=O)(=O)C1CC1)C(C)(C)C[NH+](C)C ZINC000075110002 386824989 /nfs/dbraw/zinc/82/49/89/386824989.db2.gz WWVMMOOGPGKMKB-SECBINFHSA-N 1 0 248.392 1.045 50 0 BDAARO O=C1NCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000050394936 387049036 /nfs/dbraw/zinc/04/90/36/387049036.db2.gz HQRHDQPVEPQPJE-CYBMUJFWSA-N 1 0 230.311 1.022 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000049649139 387152202 /nfs/dbraw/zinc/15/22/02/387152202.db2.gz LSIFBMWPCIURGG-QMMMGPOBSA-N 1 0 228.654 1.543 50 0 BDAARO OC[C@]1(F)CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000334480325 387491364 /nfs/dbraw/zinc/49/13/64/387491364.db2.gz UXZLRAVUCAXMMF-RYUDHWBXSA-N 1 0 213.296 1.892 50 0 BDAARO CC(C)c1nc(CN2CCC[NH2+]CC2)co1 ZINC000426689104 387586604 /nfs/dbraw/zinc/58/66/04/387586604.db2.gz FCBWEMZABHRDPS-UHFFFAOYSA-N 1 0 223.320 1.593 50 0 BDAARO COC(=O)c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000020521516 387849125 /nfs/dbraw/zinc/84/91/25/387849125.db2.gz KUIDDESDPMEVCM-UHFFFAOYSA-N 1 0 248.326 1.396 50 0 BDAARO Cc1nn(C)c(C)c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000521394287 387915212 /nfs/dbraw/zinc/91/52/12/387915212.db2.gz ZQMMMENRIXSWFQ-SCZZXKLOSA-N 1 0 207.321 1.877 50 0 BDAARO O=C1CCC[C@@H]2[C@@H]3CCC[N@@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000195802571 387924187 /nfs/dbraw/zinc/92/41/87/387924187.db2.gz ZSBXGIUJOOQZMP-COMQUAJESA-N 1 0 248.370 1.872 50 0 BDAARO Cc1cc(C(F)(F)F)nn1C[C@@H](C)C[NH3+] ZINC000012351534 177832024 /nfs/dbraw/zinc/83/20/24/177832024.db2.gz SFCQBXWZPPRIAJ-LURJTMIESA-N 1 0 221.226 1.805 50 0 BDAARO c1nc2c([nH]1)[C@H](COCc1ccccc1)[NH2+]CC2 ZINC000065491812 388016309 /nfs/dbraw/zinc/01/63/09/388016309.db2.gz JGCQUSSTNFHACI-ZDUSSCGKSA-N 1 0 243.310 1.813 50 0 BDAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)c2C)C1 ZINC000195246035 388150861 /nfs/dbraw/zinc/15/08/61/388150861.db2.gz JELAMTOVWNNVJB-LBPRGKRZSA-N 1 0 249.358 1.548 50 0 BDAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)o1 ZINC000185171956 177770973 /nfs/dbraw/zinc/77/09/73/177770973.db2.gz MOOXXHLODCNFJL-UHTWSYAYSA-N 1 0 248.326 1.706 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037238802 388239838 /nfs/dbraw/zinc/23/98/38/388239838.db2.gz ADDVZCWPYGZRGY-LLVKDONJSA-N 1 0 249.314 1.839 50 0 BDAARO CSCC[C@@H](C)[N@H+](C)C[C@H](O)CSC ZINC000170601162 388241656 /nfs/dbraw/zinc/24/16/56/388241656.db2.gz SUZYDANAZUAQSX-ZJUUUORDSA-N 1 0 237.434 1.784 50 0 BDAARO c1cncc(NCC[NH2+][C@H]2CCSC2)c1 ZINC000065404825 388295543 /nfs/dbraw/zinc/29/55/43/388295543.db2.gz PALZLRKGFMTXJS-NSHDSACASA-N 1 0 223.345 1.589 50 0 BDAARO O=C(c1ccoc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000066971536 388404216 /nfs/dbraw/zinc/40/42/16/388404216.db2.gz IMHNRRSSXJHBCI-UHFFFAOYSA-N 1 0 248.326 1.884 50 0 BDAARO C(C1CC1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000089819091 388367993 /nfs/dbraw/zinc/36/79/93/388367993.db2.gz ZXMDIOSEGSHUES-CYBMUJFWSA-N 1 0 208.349 1.957 50 0 BDAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)NC)C1 ZINC000076068628 388373292 /nfs/dbraw/zinc/37/32/92/388373292.db2.gz PEXDFCMYLLTSLE-GHMZBOCLSA-N 1 0 244.404 1.729 50 0 BDAARO CC(C)CC[C@@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000008556676 388406090 /nfs/dbraw/zinc/40/60/90/388406090.db2.gz LJKDBAOIOYJBPR-BDAKNGLRSA-N 1 0 244.360 1.981 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000122681072 388402600 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/nfs/dbraw/zinc/41/53/88/388415388.db2.gz STMLAGAAPQBFPK-NSHDSACASA-N 1 0 240.372 1.477 50 0 BDAARO Cc1ccc(C[NH2+]CCOCCO)cc1Cl ZINC000193731216 388419787 /nfs/dbraw/zinc/41/97/87/388419787.db2.gz ROJSUQALWASYDH-UHFFFAOYSA-N 1 0 243.734 1.747 50 0 BDAARO CC(C)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000195542507 388479483 /nfs/dbraw/zinc/47/94/83/388479483.db2.gz SGDWIEBZLQXFKN-JTQLQIEISA-N 1 0 212.337 1.618 50 0 BDAARO COCC[N@H+](CCc1ccncc1)C1CC1 ZINC000069741745 388425989 /nfs/dbraw/zinc/42/59/89/388425989.db2.gz LOOSTFBCKZGWFD-UHFFFAOYSA-N 1 0 220.316 1.735 50 0 BDAARO CN(C)[C@H](C[NH2+]Cc1ccncc1)C1CC1 ZINC000069782264 388426476 /nfs/dbraw/zinc/42/64/76/388426476.db2.gz WNERYQRSQNVDFP-CYBMUJFWSA-N 1 0 219.332 1.511 50 0 BDAARO COCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000195566512 388487189 /nfs/dbraw/zinc/48/71/89/388487189.db2.gz PAQIWKVEZIUIDW-DCAQKATOSA-N 1 0 228.336 1.045 50 0 BDAARO CC(C)(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)C(N)=O ZINC000195573575 388494358 /nfs/dbraw/zinc/49/43/58/388494358.db2.gz WPRRWLBDEZOFOW-QWRGUYRKSA-N 1 0 224.348 1.832 50 0 BDAARO COCC1(C[N@@H+]2CCC[C@@H](N(C)C)C2)CCC1 ZINC000253428689 388591793 /nfs/dbraw/zinc/59/17/93/388591793.db2.gz NMCCALCDHFGQIU-CYBMUJFWSA-N 1 0 240.391 1.829 50 0 BDAARO COCC1(C[N@@H+]2CCC[C@H](N(C)C)C2)CCC1 ZINC000253428706 388592212 /nfs/dbraw/zinc/59/22/12/388592212.db2.gz NMCCALCDHFGQIU-ZDUSSCGKSA-N 1 0 240.391 1.829 50 0 BDAARO O=C(NCCSCC1CC1)[C@H]1CCCC[NH2+]1 ZINC000253429059 388592763 /nfs/dbraw/zinc/59/27/63/388592763.db2.gz BYVFFMGHSUQLHD-LLVKDONJSA-N 1 0 242.388 1.388 50 0 BDAARO Cc1cnccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237800565 388595399 /nfs/dbraw/zinc/59/53/99/388595399.db2.gz DYKXPUIBKAEWHD-LLVKDONJSA-N 1 0 249.314 1.097 50 0 BDAARO CCO[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)C1(C)C ZINC000236864793 388596107 /nfs/dbraw/zinc/59/61/07/388596107.db2.gz ABGGKUGGXJRVSF-NXEZZACHSA-N 1 0 240.347 1.140 50 0 BDAARO CCSC[C@@H](C)[N@H+](C)C[C@@H](O)CC ZINC000229950959 388596111 /nfs/dbraw/zinc/59/61/11/388596111.db2.gz KSADNWKUXKVQRM-ZJUUUORDSA-N 1 0 205.367 1.831 50 0 BDAARO COC(=O)c1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000039085519 388610732 /nfs/dbraw/zinc/61/07/32/388610732.db2.gz PBMWFDPFLABNFP-NSHDSACASA-N 1 0 205.257 1.809 50 0 BDAARO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cncs1 ZINC000225397388 388679068 /nfs/dbraw/zinc/67/90/68/388679068.db2.gz BGPNEJHQFYHRGZ-NXEZZACHSA-N 1 0 240.328 1.574 50 0 BDAARO CCOC(=O)[C@](C)(N)Cc1ccc(O)cc1 ZINC000148417228 388684867 /nfs/dbraw/zinc/68/48/67/388684867.db2.gz LTBRGLHBHNJNHQ-GFCCVEGCSA-N 1 0 223.272 1.215 50 0 BDAARO C[C@@H](C(N)=O)[NH+]1CCC(c2ccccc2)CC1 ZINC000012867371 388724603 /nfs/dbraw/zinc/72/46/03/388724603.db2.gz DDCKBUORRDDDIZ-NSHDSACASA-N 1 0 232.327 1.740 50 0 BDAARO CC(C)CCOC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000193116952 388761248 /nfs/dbraw/zinc/76/12/48/388761248.db2.gz LSJSIUPYSWYSGA-LLVKDONJSA-N 1 0 242.363 1.387 50 0 BDAARO Cc1ccc(F)c(C[NH2+]CC[S@](C)=O)c1 ZINC000095398052 388765637 /nfs/dbraw/zinc/76/56/37/388765637.db2.gz HZONWTSSTAHCFQ-OAHLLOKOSA-N 1 0 229.320 1.602 50 0 BDAARO CC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000080404882 388767896 /nfs/dbraw/zinc/76/78/96/388767896.db2.gz UWIVHRKKYHOUDG-GFCCVEGCSA-N 1 0 224.279 1.565 50 0 BDAARO COC[C@](C)(CCO)[NH2+]Cc1cccc(F)c1 ZINC000095408446 388768172 /nfs/dbraw/zinc/76/81/72/388768172.db2.gz DQZZXRGIYLIHQU-ZDUSSCGKSA-N 1 0 241.306 1.703 50 0 BDAARO COC(=O)CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000096415716 388818310 /nfs/dbraw/zinc/81/83/10/388818310.db2.gz BJVUJAVBFOCUIT-UHFFFAOYSA-N 1 0 240.347 1.110 50 0 BDAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236868 388835778 /nfs/dbraw/zinc/83/57/78/388835778.db2.gz YBXPPECFUCGNBT-NXEZZACHSA-N 1 0 226.345 1.736 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000299744535 388844962 /nfs/dbraw/zinc/84/49/62/388844962.db2.gz STSITGIOZTXNJD-RKDXNWHRSA-N 1 0 236.290 1.619 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000299752186 388845810 /nfs/dbraw/zinc/84/58/10/388845810.db2.gz STSITGIOZTXNJD-DTWKUNHWSA-N 1 0 236.290 1.619 50 0 BDAARO CC(C)Cn1cc(CN(C)[C@H]2CC[NH2+]C2)cn1 ZINC000564969594 388903728 /nfs/dbraw/zinc/90/37/28/388903728.db2.gz UVPDPRIPCBMCPA-ZDUSSCGKSA-N 1 0 236.363 1.333 50 0 BDAARO C([NH2+]C[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000082581111 533367985 /nfs/dbraw/zinc/36/79/85/533367985.db2.gz JPJAMCKGFKLNLO-VXGBXAGGSA-N 1 0 213.321 1.429 50 0 BDAARO Clc1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000000007429 132312376 /nfs/dbraw/zinc/31/23/76/132312376.db2.gz USXYDBGSWSSTGE-OCAPTIKFSA-N 1 0 224.695 1.071 50 0 in-vivo BDAARO C[C@H]1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1 ZINC000000213774 132313173 /nfs/dbraw/zinc/31/31/73/132313173.db2.gz GFQJDDJRQNGHJG-QWHCGFSZSA-N 1 0 246.358 1.787 50 0 BDAARO CCOc1cccc(N2CC[NH2+]CC2)c1 ZINC000002556451 132315256 /nfs/dbraw/zinc/31/52/56/132315256.db2.gz SNOLWZPEAPGOOD-UHFFFAOYSA-N 1 0 206.289 1.495 50 0 BDAARO Clc1nc2ccccc2nc1N1CC[NH2+]CC1 ZINC000003716145 132315618 /nfs/dbraw/zinc/31/56/18/132315618.db2.gz MRDAZRADHJDBEF-UHFFFAOYSA-N 1 0 248.717 1.693 50 0 BDAARO [NH3+]CCC(=O)N1CCCc2ccccc21 ZINC000011755162 132320515 /nfs/dbraw/zinc/32/05/15/132320515.db2.gz DAXCSORKXCGMCI-UHFFFAOYSA-N 1 0 204.273 1.315 50 0 BDAARO [NH3+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000011755339 132320543 /nfs/dbraw/zinc/32/05/43/132320543.db2.gz APWYPOITWOYSAX-UHFFFAOYSA-N 1 0 247.342 1.074 50 0 BDAARO C[C@@H]1CCc2ccccc2N1C(=O)CC[NH3+] ZINC000019274682 132324593 /nfs/dbraw/zinc/32/45/93/132324593.db2.gz NIEHPRDGJBVQJD-SNVBAGLBSA-N 1 0 218.300 1.703 50 0 BDAARO NC(=[NH2+])c1cccnc1N1CCCCC1 ZINC000019470639 132325218 /nfs/dbraw/zinc/32/52/18/132325218.db2.gz JJLRQDQKRKOMFB-UHFFFAOYSA-N 1 0 204.277 1.356 50 0 BDAARO Cc1ccc2c(c1)CCCN2C(=O)C[NH3+] ZINC000019479079 132325521 /nfs/dbraw/zinc/32/55/21/132325521.db2.gz UECQPQKMCIIWIN-UHFFFAOYSA-N 1 0 204.273 1.233 50 0 BDAARO C[C@@H]1CCCCN1c1ccc(C[NH3+])cn1 ZINC000021955932 132332121 /nfs/dbraw/zinc/33/21/21/132332121.db2.gz PHOFXXBRPMHMMA-SNVBAGLBSA-N 1 0 205.305 1.919 50 0 BDAARO C[C@@H](O)c1ccccc1N1CC[NH+](C)CC1 ZINC000035650418 132338830 /nfs/dbraw/zinc/33/88/30/132338830.db2.gz JTKYBOZDZPRTSB-LLVKDONJSA-N 1 0 220.316 1.492 50 0 BDAARO [NH3+]C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000040447844 132347529 /nfs/dbraw/zinc/34/75/29/132347529.db2.gz ABYIFDGUCYITEA-UHFFFAOYSA-N 1 0 246.236 1.423 50 0 BDAARO Cc1ccc(C)c(N2CCN(CCC[NH3+])CC2)c1 ZINC000065335452 132389283 /nfs/dbraw/zinc/38/92/83/132389283.db2.gz HUNAFHGAWUYQGY-UHFFFAOYSA-N 1 0 247.386 1.774 50 0 BDAARO [NH3+]C1CCN(c2nc(Cl)ncc2F)CC1 ZINC000070461075 132391299 /nfs/dbraw/zinc/39/12/99/132391299.db2.gz RSQCJKBTQDKUEF-UHFFFAOYSA-N 1 0 230.674 1.197 50 0 BDAARO Cc1ccccc1OCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000299739638 133466507 /nfs/dbraw/zinc/46/65/07/133466507.db2.gz QULCUUAEJYJRHR-GFCCVEGCSA-N 1 0 248.326 1.181 50 0 BDAARO C[N@H+](CC1CC(F)(F)C1)[C@@H]1CCOC1 ZINC000336185962 134121496 /nfs/dbraw/zinc/12/14/96/134121496.db2.gz HWEYKSNLXFLFMF-SECBINFHSA-N 1 0 205.248 1.752 50 0 BDAARO Cc1ccc(C[NH2+]CCn2cccn2)o1 ZINC000042351707 398014033 /nfs/dbraw/zinc/01/40/33/398014033.db2.gz HCEPLAVWRQMCDT-UHFFFAOYSA-N 1 0 205.261 1.574 50 0 BDAARO CN(Cc1ccccc1)C(=O)N1CC[NH2+]CC1 ZINC000022143963 397972380 /nfs/dbraw/zinc/97/23/80/397972380.db2.gz JDIKOLJCDVKAKO-UHFFFAOYSA-N 1 0 233.315 1.144 50 0 BDAARO Cc1cnn(CC[NH2+]C[C@H]2CCCCO2)c1 ZINC000072253055 397986696 /nfs/dbraw/zinc/98/66/96/397986696.db2.gz CYMIZACHVBDDGH-GFCCVEGCSA-N 1 0 223.320 1.350 50 0 BDAARO Cc1cc(C[NH3+])ncc1Br ZINC000066322845 398090730 /nfs/dbraw/zinc/09/07/30/398090730.db2.gz MTLADBRRYAKZSX-UHFFFAOYSA-N 1 0 201.067 1.611 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000237824569 398129420 /nfs/dbraw/zinc/12/94/20/398129420.db2.gz AWTOKVNXMZVMGJ-HSBSLETESA-N 1 0 244.338 1.958 50 0 BDAARO Cc1cnn(C[C@H](C)[NH2+]Cc2ccncc2)c1 ZINC000075605647 398130848 /nfs/dbraw/zinc/13/08/48/398130848.db2.gz SIKNDNTZBPXEAE-LBPRGKRZSA-N 1 0 230.315 1.765 50 0 BDAARO C[NH+](C)CCNC(=S)NC1CCCCC1 ZINC000002853444 172462717 /nfs/dbraw/zinc/46/27/17/172462717.db2.gz HNLJENAFIMHRRE-UHFFFAOYSA-N 1 0 229.393 1.345 50 0 BDAARO CCCc1cnc(N2CC[C@H](C[NH+](C)C)C2)nc1 ZINC000670470901 487528887 /nfs/dbraw/zinc/52/88/87/487528887.db2.gz YGBMGFMBRSMEGY-CYBMUJFWSA-N 1 0 248.374 1.817 50 0 BDAARO CC(C)OC[C@H](C)[NH2+]C[C@@]1(O)CCSC1 ZINC000225718084 167264718 /nfs/dbraw/zinc/26/47/18/167264718.db2.gz GARZSNNVODULDG-QWRGUYRKSA-N 1 0 233.377 1.258 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2[NH3+])CC1 ZINC000076675078 410062147 /nfs/dbraw/zinc/06/21/47/410062147.db2.gz QZRDFJCRLZNCPN-VIFPVBQESA-N 1 0 226.320 1.735 50 0 BDAARO Brc1cccc(O[C@H]2CC[NH2+]C2)n1 ZINC000042783020 166101592 /nfs/dbraw/zinc/10/15/92/166101592.db2.gz UMYYYNHAAXQGAO-ZETCQYMHSA-N 1 0 243.104 1.585 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)c2cc3ccccn3c2)C1 ZINC000158486423 410248583 /nfs/dbraw/zinc/24/85/83/410248583.db2.gz QWWXPUBESODQIK-LBPRGKRZSA-N 1 0 243.310 1.503 50 0 BDAARO Brc1cncc(O[C@@H]2CC[NH2+]C2)c1 ZINC000070043694 166106441 /nfs/dbraw/zinc/10/64/41/166106441.db2.gz HWVHEYWRYXQELV-MRVPVSSYSA-N 1 0 243.104 1.585 50 0 BDAARO CC[NH+](CC)CC(=O)NC1CCCCC1 ZINC000004993601 169766444 /nfs/dbraw/zinc/76/64/44/169766444.db2.gz BOHOZTSAZCZGBT-UHFFFAOYSA-N 1 0 212.337 1.777 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000026896574 166657620 /nfs/dbraw/zinc/65/76/20/166657620.db2.gz VMUXGMBHACBHJJ-IVZWLZJFSA-N 1 0 226.320 1.591 50 0 BDAARO CC(C)(C)OC(=O)NC1([C@@H]2CC[NH2+]C2)CC1 ZINC000038272238 166659469 /nfs/dbraw/zinc/65/94/69/166659469.db2.gz QJTCVIHNVLALCL-SECBINFHSA-N 1 0 226.320 1.653 50 0 BDAARO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3n[nH]cc32)C1 ZINC000069000626 167025633 /nfs/dbraw/zinc/02/56/33/167025633.db2.gz SETOUXPKBBBRLD-VIFPVBQESA-N 1 0 246.318 1.248 50 0 BDAARO CC(C)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000004284609 167114812 /nfs/dbraw/zinc/11/48/12/167114812.db2.gz YWVKUINDDXVDHE-JTQLQIEISA-N 1 0 207.273 1.824 50 0 BDAARO CC(C)[C@@H]([NH2+]CCC(N)=O)c1ccc(F)cc1 ZINC000032899654 167430709 /nfs/dbraw/zinc/43/07/09/167430709.db2.gz AGQWGNPUYHPYER-CYBMUJFWSA-N 1 0 238.306 1.988 50 0 BDAARO COC(=O)CC[N@H+](Cc1ccco1)C1CC1 ZINC000045915136 411150012 /nfs/dbraw/zinc/15/00/12/411150012.db2.gz VGUYUYNGKGNJPV-UHFFFAOYSA-N 1 0 223.272 1.807 50 0 BDAARO [NH3+]C1(CNC(=O)NC2CCCCC2)CCCC1 ZINC000656474158 411276934 /nfs/dbraw/zinc/27/69/34/411276934.db2.gz POTYRXBNWUJUIP-UHFFFAOYSA-N 1 0 239.363 1.890 50 0 BDAARO CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000225350948 167981821 /nfs/dbraw/zinc/98/18/21/167981821.db2.gz WMEITKWCKLAADZ-UKKRHICBSA-N 1 0 222.332 1.228 50 0 BDAARO CC1CCC(O)(C[NH+]2CCC(CO)CC2)CC1 ZINC000075146830 168167022 /nfs/dbraw/zinc/16/70/22/168167022.db2.gz OWRXQDOOBUVYOP-UHFFFAOYSA-N 1 0 241.375 1.632 50 0 BDAARO CCC(C)(C)[NH2+]Cc1nnnn1C1CC1 ZINC000060857118 168299612 /nfs/dbraw/zinc/29/96/12/168299612.db2.gz BPCOHOSOQHGDIM-UHFFFAOYSA-N 1 0 209.297 1.286 50 0 BDAARO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000052635161 411401024 /nfs/dbraw/zinc/40/10/24/411401024.db2.gz VNWBMBRMGGSPLD-RYUDHWBXSA-N 1 0 226.364 1.879 50 0 BDAARO CC[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000336256413 170031927 /nfs/dbraw/zinc/03/19/27/170031927.db2.gz AGUMVWMAWYHFHF-STQMWFEESA-N 1 0 223.291 1.806 50 0 BDAARO CCNC(=O)NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000027133992 170076573 /nfs/dbraw/zinc/07/65/73/170076573.db2.gz GMHSVCYZKNHSFK-SECBINFHSA-N 1 0 243.351 1.199 50 0 BDAARO CCNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000049460039 170081392 /nfs/dbraw/zinc/08/13/92/170081392.db2.gz BMYKYZBHDMQRJY-UHFFFAOYSA-N 1 0 249.358 1.957 50 0 BDAARO CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000014807188 170150936 /nfs/dbraw/zinc/15/09/36/170150936.db2.gz APWWQUZRVODKQP-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO CCOC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036667739 170207126 /nfs/dbraw/zinc/20/71/26/170207126.db2.gz IDIXQDLEKMHRAK-QWRGUYRKSA-N 1 0 213.321 1.918 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1ccc(OC)cc1 ZINC000036667795 170209181 /nfs/dbraw/zinc/20/91/81/170209181.db2.gz XWJDEQJSVVXIIW-UHFFFAOYSA-N 1 0 237.299 1.738 50 0 BDAARO CCOC(=O)C[C@@H]([NH3+])c1cccc(F)c1 ZINC000002582551 170231315 /nfs/dbraw/zinc/23/13/15/170231315.db2.gz JVIFBOSEONQBDW-SNVBAGLBSA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1cccc(OC)c1 ZINC000003678296 170233708 /nfs/dbraw/zinc/23/37/08/170233708.db2.gz PORIRKMXFGLHFJ-NSHDSACASA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)N1CC[NH+](C(C)C)CC1 ZINC000005856194 170239779 /nfs/dbraw/zinc/23/97/79/170239779.db2.gz HRMZRPQIFGCXML-UHFFFAOYSA-N 1 0 200.282 1.169 50 0 BDAARO CCOC(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000019421126 170243009 /nfs/dbraw/zinc/24/30/09/170243009.db2.gz IRZUKXUUMGDAEZ-SNVBAGLBSA-N 1 0 208.261 1.433 50 0 BDAARO CCOC(=O)N[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000047796117 170243253 /nfs/dbraw/zinc/24/32/53/170243253.db2.gz CQXHXHJVHAICJP-NSHDSACASA-N 1 0 228.336 1.853 50 0 BDAARO CCOC(=O)[C@@]1(C)CCC[N@@H+]1CCCOC 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/nfs/dbraw/zinc/39/05/57/170390557.db2.gz NSRAJURCTDDGPC-UHFFFAOYSA-N 1 0 208.305 1.858 50 0 BDAARO CCOCC[N@H+](C)CCc1cccnc1 ZINC000180997061 170390681 /nfs/dbraw/zinc/39/06/81/170390681.db2.gz NLZWVDNQSQEVHN-UHFFFAOYSA-N 1 0 208.305 1.592 50 0 BDAARO Cc1cc(NN)[nH+]c(Nc2ccc(F)cc2)n1 ZINC000044845921 411654729 /nfs/dbraw/zinc/65/47/29/411654729.db2.gz WSEREEXTFGBXQN-UHFFFAOYSA-N 1 0 233.250 1.953 50 0 BDAARO CCOc1ccc(CN2CCC[C@@H]([NH3+])C2)nc1 ZINC000225490552 170543178 /nfs/dbraw/zinc/54/31/78/170543178.db2.gz ALZTWWJGEJKWOJ-LLVKDONJSA-N 1 0 235.331 1.403 50 0 BDAARO CCOc1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000011754442 170594787 /nfs/dbraw/zinc/59/47/87/170594787.db2.gz KTUKBMHKKBHOKN-NSHDSACASA-N 1 0 234.299 1.776 50 0 BDAARO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000070643922 171040016 /nfs/dbraw/zinc/04/00/16/171040016.db2.gz RAFJKSXQFOUAIH-GMTAPVOTSA-N 1 0 210.321 1.433 50 0 BDAARO CC[C@@H]1Oc2cc([C@@H](C)[NH3+])ccc2NC1=O ZINC000074942062 171153179 /nfs/dbraw/zinc/15/31/79/171153179.db2.gz VRQXDMHDNLLYPY-XCBNKYQSSA-N 1 0 220.272 1.816 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)SC ZINC000066125551 171306110 /nfs/dbraw/zinc/30/61/10/171306110.db2.gz IVXSZLGTZKQMEC-VHSXEESVSA-N 1 0 232.393 1.584 50 0 BDAARO CC[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000020185609 171344160 /nfs/dbraw/zinc/34/41/60/171344160.db2.gz LWVXVEDFAOTXEX-VIFPVBQESA-N 1 0 204.277 1.617 50 0 BDAARO CC[C@H](C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000020267948 171344183 /nfs/dbraw/zinc/34/41/83/171344183.db2.gz KMWYMYWBSRCZJE-VIFPVBQESA-N 1 0 231.299 1.811 50 0 BDAARO CCc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000104315194 171784072 /nfs/dbraw/zinc/78/40/72/171784072.db2.gz GRWKKIIODVARMF-CYBMUJFWSA-N 1 0 232.327 1.812 50 0 BDAARO CCn1c(=S)[nH]nc1C1CC[NH2+]CC1 ZINC000020214097 172143499 /nfs/dbraw/zinc/14/34/99/172143499.db2.gz KWMGWFOLDARAPH-UHFFFAOYSA-N 1 0 212.322 1.428 50 0 BDAARO CCn1cc(C[N@@H+]2CCCSCC2)cn1 ZINC000097058718 172163175 /nfs/dbraw/zinc/16/31/75/172163175.db2.gz HWTWECHTTYRCAP-UHFFFAOYSA-N 1 0 225.361 1.842 50 0 BDAARO CCn1ccnc1CN1CC[NH+](C(C)C)CC1 ZINC000065624957 172219736 /nfs/dbraw/zinc/21/97/36/172219736.db2.gz KENHQSYNIQCLBW-UHFFFAOYSA-N 1 0 236.363 1.429 50 0 BDAARO CCn1nccc1C[N@H+](C)CCc1ccncc1 ZINC000183758689 172264939 /nfs/dbraw/zinc/26/49/39/172264939.db2.gz CYJVTYULLOWULE-UHFFFAOYSA-N 1 0 244.342 1.973 50 0 BDAARO CN(C(=O)[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000087297977 172331811 /nfs/dbraw/zinc/33/18/11/172331811.db2.gz LAHNUGWJJBCUNK-LLVKDONJSA-N 1 0 204.273 1.307 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054993487 172366249 /nfs/dbraw/zinc/36/62/49/172366249.db2.gz ZYTCHPULVNLSGP-ZDUSSCGKSA-N 1 0 232.327 1.912 50 0 BDAARO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000064552825 172384237 /nfs/dbraw/zinc/38/42/37/172384237.db2.gz DZADJEVBHSLAIS-GFCCVEGCSA-N 1 0 249.358 1.325 50 0 BDAARO CN(CC1C[NH2+]C1)C(=O)OC(C)(C)C ZINC000030677711 172663007 /nfs/dbraw/zinc/66/30/07/172663007.db2.gz IIRJNOLNCXOXOR-UHFFFAOYSA-N 1 0 200.282 1.073 50 0 BDAARO C[NH+]1CCC(CNC(=O)C(C)(C)C)CC1 ZINC000023013523 172985249 /nfs/dbraw/zinc/98/52/49/172985249.db2.gz CKZSZZQRPXSDFH-UHFFFAOYSA-N 1 0 212.337 1.491 50 0 BDAARO C[NH+]1CCC2(CC1)NC(=O)N(c1ccccc1)N2 ZINC000012416742 173003286 /nfs/dbraw/zinc/00/32/86/173003286.db2.gz MDHOISQLFOQSFF-UHFFFAOYSA-N 1 0 246.314 1.143 50 0 BDAARO C[N@@H+]1CCC[C@@H]1CCN[C@H](CO)c1ccccc1 ZINC000183772772 173028144 /nfs/dbraw/zinc/02/81/44/173028144.db2.gz MDJUYKSLBVRKJC-HUUCEWRRSA-N 1 0 248.370 1.794 50 0 BDAARO CN1CCC[C@@](O)(C[N@H+](C)C2CCCCC2)C1 ZINC000041124018 173037249 /nfs/dbraw/zinc/03/72/49/173037249.db2.gz LSJPAXOHVZTAFI-AWEZNQCLSA-N 1 0 240.391 1.708 50 0 BDAARO CNC(=[NH2+])NCCCOc1ccccc1 ZINC000052091930 173210292 /nfs/dbraw/zinc/21/02/92/173210292.db2.gz XZAAHSVLZLEBFH-UHFFFAOYSA-N 1 0 207.277 1.199 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000025358751 173274221 /nfs/dbraw/zinc/27/42/21/173274221.db2.gz KLCMVGFCKDYMJP-CYBMUJFWSA-N 1 0 232.327 1.440 50 0 BDAARO CNC(=O)[C@H]([NH2+]CCSC(C)(C)C)C(C)C ZINC000241897297 173305188 /nfs/dbraw/zinc/30/51/88/173305188.db2.gz TXMHMGYUHHUSLO-SNVBAGLBSA-N 1 0 246.420 1.878 50 0 BDAARO CNC(=O)[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064552834 173306802 /nfs/dbraw/zinc/30/68/02/173306802.db2.gz MWBTYTJVRKXJOH-JTQLQIEISA-N 1 0 238.356 1.706 50 0 BDAARO C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000006792514 173322628 /nfs/dbraw/zinc/32/26/28/173322628.db2.gz RGEQSTMITLEXKD-UHFFFAOYSA-N 1 0 204.317 1.870 50 0 BDAARO C[NH2+]CC(=O)N[C@@H](C)c1ccccc1C ZINC000040419269 173331961 /nfs/dbraw/zinc/33/19/61/173331961.db2.gz JIXAYYACWQFWIJ-JTQLQIEISA-N 1 0 206.289 1.392 50 0 BDAARO C[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000003336050 173334414 /nfs/dbraw/zinc/33/44/14/173334414.db2.gz BGZGQXSNSZEMPJ-UHFFFAOYSA-N 1 0 228.679 1.507 50 0 BDAARO C[NH2+]CCCC(=O)NCCC(F)(F)F ZINC000063101009 173344101 /nfs/dbraw/zinc/34/41/01/173344101.db2.gz PYIHEBWRNJEKRO-UHFFFAOYSA-N 1 0 212.215 1.055 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000067801462 173370017 /nfs/dbraw/zinc/37/00/17/173370017.db2.gz WUTNESNBEPKXRB-VIFPVBQESA-N 1 0 214.309 1.463 50 0 BDAARO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(C)cc2)C1 ZINC000071143171 173370046 /nfs/dbraw/zinc/37/00/46/173370046.db2.gz OCRJONNCVRHYTF-AWEZNQCLSA-N 1 0 246.354 1.605 50 0 BDAARO COC1CC[NH+](Cc2ccncc2)CC1 ZINC000265426225 174031040 /nfs/dbraw/zinc/03/10/40/174031040.db2.gz LBDIXWVWFXWRPM-UHFFFAOYSA-N 1 0 206.289 1.692 50 0 BDAARO COCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000095408733 174233583 /nfs/dbraw/zinc/23/35/83/174233583.db2.gz DOLFTMFWVGLFNC-QMMMGPOBSA-N 1 0 227.226 1.022 50 0 BDAARO COCCCNC(=O)[C@@H](C)[NH2+]C1CCCCC1 ZINC000034938498 174243745 /nfs/dbraw/zinc/24/37/45/174243745.db2.gz KKLXZCQWUHFYDZ-LLVKDONJSA-N 1 0 242.363 1.450 50 0 BDAARO COCC[N@H+](C)CCCNCc1cccnc1 ZINC000097287854 174274769 /nfs/dbraw/zinc/27/47/69/174274769.db2.gz JVPVVWQODSNYPR-UHFFFAOYSA-N 1 0 237.347 1.140 50 0 BDAARO COCC[NH+](C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000047549318 174297483 /nfs/dbraw/zinc/29/74/83/174297483.db2.gz OECDEOYNZSIQTC-CHWSQXEVSA-N 1 0 243.347 1.293 50 0 BDAARO COCC[N@@H+]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000069840645 174309390 /nfs/dbraw/zinc/30/93/90/174309390.db2.gz KFPYGNRSUDYDSO-ZDUSSCGKSA-N 1 0 249.358 1.234 50 0 BDAARO COCC[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000170593046 174315471 /nfs/dbraw/zinc/31/54/71/174315471.db2.gz DLAQPRGVZLGSHS-UHFFFAOYSA-N 1 0 221.300 1.700 50 0 BDAARO COCC[NH2+]CCOc1ccc(OC)cc1 ZINC000002931098 174333702 /nfs/dbraw/zinc/33/37/02/174333702.db2.gz ACYLCVHQFPQNBA-UHFFFAOYSA-N 1 0 225.288 1.310 50 0 BDAARO COCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000003680939 174339538 /nfs/dbraw/zinc/33/95/38/174339538.db2.gz PCRMPYNSGZWFMH-SNVBAGLBSA-N 1 0 211.280 1.993 50 0 BDAARO COCCOCCOCC[C@H]1CCC[NH2+]C1 ZINC000042771635 174359493 /nfs/dbraw/zinc/35/94/93/174359493.db2.gz SDZLCPPRWILSNF-GFCCVEGCSA-N 1 0 231.336 1.056 50 0 BDAARO COc1cc(OC)cc(N2CC[C@H]([NH3+])C2)c1 ZINC000037240678 175010111 /nfs/dbraw/zinc/01/01/11/175010111.db2.gz SFWHADOYILCZHM-VIFPVBQESA-N 1 0 222.288 1.241 50 0 BDAARO COc1cc2[nH+]ccc(N)c2cc1OC ZINC000000000924 175028611 /nfs/dbraw/zinc/02/86/11/175028611.db2.gz UZVYGOXJMRZJFK-UHFFFAOYSA-N 1 0 204.229 1.834 50 0 in-man BDAARO COc1ccc(C(=O)CC[NH+](C)C)c(F)c1 ZINC000000245559 175054180 /nfs/dbraw/zinc/05/41/80/175054180.db2.gz VGUDKCGKOLSMMT-UHFFFAOYSA-N 1 0 225.263 1.969 50 0 BDAARO COc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000004454487 175059935 /nfs/dbraw/zinc/05/99/35/175059935.db2.gz AHLYFAKLKLMESK-UHFFFAOYSA-N 1 0 248.326 1.521 50 0 BDAARO COc1ccc(C(=O)O[C@H]2CC[NH2+]C2)cc1 ZINC000042768919 175065318 /nfs/dbraw/zinc/06/53/18/175065318.db2.gz AYIZNLJNEQYFNO-NSHDSACASA-N 1 0 221.256 1.214 50 0 BDAARO COc1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000002545022 175084597 /nfs/dbraw/zinc/08/45/97/175084597.db2.gz RGFHJSYBDBNFMX-UHFFFAOYSA-N 1 0 207.273 1.266 50 0 BDAARO COc1ccc(C[NH2+]CCN(C)C)cc1 ZINC000019582938 175106666 /nfs/dbraw/zinc/10/66/66/175106666.db2.gz QJYMFFDAQJBYQH-UHFFFAOYSA-N 1 0 208.305 1.346 50 0 BDAARO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cn1 ZINC000097108704 175111031 /nfs/dbraw/zinc/11/10/31/175111031.db2.gz XXELWBUAQCNPNZ-PWSUYJOCSA-N 1 0 236.315 1.747 50 0 BDAARO COc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000019408382 175146571 /nfs/dbraw/zinc/14/65/71/175146571.db2.gz BCKRVXIBVRXQID-GFCCVEGCSA-N 1 0 234.299 1.776 50 0 BDAARO COc1ccc(N[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000170604066 175155620 /nfs/dbraw/zinc/15/56/20/175155620.db2.gz HNWIKAZDULCWRD-JQWIXIFHSA-N 1 0 235.331 1.842 50 0 BDAARO COc1ccc([C@@H]2[C@@H](CO)CC[N@@H+]2C)cc1 ZINC000101398079 175186012 /nfs/dbraw/zinc/18/60/12/175186012.db2.gz BNBDNQGLPMOONQ-DGCLKSJQSA-N 1 0 221.300 1.680 50 0 BDAARO COc1ccc([C@H]2C[NH2+]CCN2C)cc1OC ZINC000020268325 175196011 /nfs/dbraw/zinc/19/60/11/175196011.db2.gz IDFCMAIUQYYCAM-LLVKDONJSA-N 1 0 236.315 1.280 50 0 BDAARO COc1ccc2c(c1)[nH]c1c2C[NH2+]CC1 ZINC000034925339 175223629 /nfs/dbraw/zinc/22/36/29/175223629.db2.gz DDIJCGUGXZYJQK-UHFFFAOYSA-N 1 0 202.257 1.822 50 0 BDAARO COc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000006742027 175243394 /nfs/dbraw/zinc/24/33/94/175243394.db2.gz LLCWHPWNQXUJGL-UHFFFAOYSA-N 1 0 248.326 1.473 50 0 BDAARO COc1cccc(CCN2CC[NH2+]CC2)c1 ZINC000019801178 175251701 /nfs/dbraw/zinc/25/17/01/175251701.db2.gz JNRYEINHOYYNMG-UHFFFAOYSA-N 1 0 220.316 1.143 50 0 BDAARO COc1cccc([C@@H]([NH3+])c2nccn2C)c1 ZINC000007738531 175288923 /nfs/dbraw/zinc/28/89/23/175288923.db2.gz RDRPMEIUVQBCHF-LLVKDONJSA-N 1 0 217.272 1.477 50 0 BDAARO COc1ccccc1C(=O)O[C@H]1CCC[N@H+](C)C1 ZINC000004803318 175319212 /nfs/dbraw/zinc/31/92/12/175319212.db2.gz FOXBUUKKUYZFBW-NSHDSACASA-N 1 0 249.310 1.946 50 0 BDAARO C[C@@H](C1CCCCC1)n1c(C[NH3+])n[nH]c1=O ZINC000065380501 175637335 /nfs/dbraw/zinc/63/73/35/175637335.db2.gz LZFIDTNDRXFOQW-QMMMGPOBSA-N 1 0 224.308 1.171 50 0 BDAARO C[C@@H](CC(N)=O)[NH2+]C[C@@H](C)c1ccccc1 ZINC000078739030 175651772 /nfs/dbraw/zinc/65/17/72/175651772.db2.gz KLPTWIHQIKNYJX-MNOVXSKESA-N 1 0 220.316 1.644 50 0 BDAARO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH3+])C1=O ZINC000070494967 176025082 /nfs/dbraw/zinc/02/50/82/176025082.db2.gz PLGNPJNCJOZJDH-JOYOIKCWSA-N 1 0 236.290 1.836 50 0 BDAARO C[C@@H]1CCC[C@@H](C)C1N(C)C(=O)CC[NH3+] ZINC000195542392 176113752 /nfs/dbraw/zinc/11/37/52/176113752.db2.gz DKWPBPXIQQVNGH-NXEZZACHSA-N 1 0 212.337 1.618 50 0 BDAARO C[C@@H]1CCCN(C(=O)CC(F)(F)F)[C@@H]1C[NH3+] ZINC000069726069 176090917 /nfs/dbraw/zinc/09/09/17/176090917.db2.gz USNYRQTXWQYIHM-HTQZYQBOSA-N 1 0 238.253 1.525 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2ccoc2)[C@@H]1C[NH3+] ZINC000069726323 176095670 /nfs/dbraw/zinc/09/56/70/176095670.db2.gz LIUWQVYLSWVWKV-MWLCHTKSSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccco2)C1 ZINC000014193732 176096089 /nfs/dbraw/zinc/09/60/89/176096089.db2.gz KAZUEJVJKUDNMB-LLVKDONJSA-N 1 0 236.315 1.628 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH3+] 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C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH2+]C1 ZINC000019840617 176805904 /nfs/dbraw/zinc/80/59/04/176805904.db2.gz HOLFKYFPAJFTQK-VHSXEESVSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCOCCO ZINC000193146416 177063733 /nfs/dbraw/zinc/06/37/33/177063733.db2.gz RNHOWAPWAVDAKI-RYUDHWBXSA-N 1 0 229.364 1.800 50 0 BDAARO C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000019473275 177073290 /nfs/dbraw/zinc/07/32/90/177073290.db2.gz UGNDVMGUDTUVJF-JSGCOSHPSA-N 1 0 246.354 1.957 50 0 BDAARO C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000040473154 177091904 /nfs/dbraw/zinc/09/19/04/177091904.db2.gz NEZMQXBGNRZNFF-OLZOCXBDSA-N 1 0 238.375 1.977 50 0 BDAARO C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000084237577 177151211 /nfs/dbraw/zinc/15/12/11/177151211.db2.gz OWWPBKGSGNQMPL-DTWKUNHWSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000062036932 177190264 /nfs/dbraw/zinc/19/02/64/177190264.db2.gz NXXUMFZHNHWZLA-VHSXEESVSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000035571218 177222454 /nfs/dbraw/zinc/22/24/54/177222454.db2.gz DUBXUUPBIKNFEA-YUMQZZPRSA-N 1 0 200.282 1.201 50 0 BDAARO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cccn1C ZINC000093739040 177202828 /nfs/dbraw/zinc/20/28/28/177202828.db2.gz FOXILAUISDUQKS-RYUDHWBXSA-N 1 0 222.332 1.618 50 0 BDAARO C[C@H]1CC[C@H]([NH3+])CN1Cc1ccccc1 ZINC000068593140 177203718 /nfs/dbraw/zinc/20/37/18/177203718.db2.gz JKSBJAIJUUQUJS-AAEUAGOBSA-N 1 0 204.317 1.998 50 0 BDAARO C[C@H]1CN(C(=O)CCc2ccncc2)C[C@H](C)[NH2+]1 ZINC000132719517 177215893 /nfs/dbraw/zinc/21/58/93/177215893.db2.gz ANKXBIRNLBMBKD-RYUDHWBXSA-N 1 0 247.342 1.223 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000034781539 177221978 /nfs/dbraw/zinc/22/19/78/177221978.db2.gz NUZXPHIQZUYMOR-IUCAKERBSA-N 1 0 214.309 1.604 50 0 BDAARO C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)Cc1cccnc1 ZINC000095440455 177235531 /nfs/dbraw/zinc/23/55/31/177235531.db2.gz HBWVXUKWEFNEHD-RYUDHWBXSA-N 1 0 247.342 1.175 50 0 BDAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NC2CC2)C1 ZINC000016958056 177357589 /nfs/dbraw/zinc/35/75/89/177357589.db2.gz XXDNUFXGISTMFU-UWVGGRQHSA-N 1 0 210.321 1.243 50 0 BDAARO C[C@H]1OCCN(C(=O)CC2CC[NH2+]CC2)[C@H]1C ZINC000125323863 177416885 /nfs/dbraw/zinc/41/68/85/177416885.db2.gz WGPBVDRHUXBXCN-WDEREUQCSA-N 1 0 240.347 1.012 50 0 BDAARO CC(C)C[C@H](C[NH3+])CC(=O)OC[C@@H]1CCOC1 ZINC000088273546 487715020 /nfs/dbraw/zinc/71/50/20/487715020.db2.gz KCPNATFHWIZSBD-NEPJUHHUSA-N 1 0 243.347 1.577 50 0 BDAARO CC(=O)NCC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000097102825 487831197 /nfs/dbraw/zinc/83/11/97/487831197.db2.gz LWBROHYMJVZSTP-JTQLQIEISA-N 1 0 238.306 1.482 50 0 BDAARO c1csc(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000534587860 323154275 /nfs/dbraw/zinc/15/42/75/323154275.db2.gz FUOMNZJXAWACRK-LLVKDONJSA-N 1 0 223.345 1.723 50 0 BDAARO C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(CO)c1 ZINC000534669292 323158761 /nfs/dbraw/zinc/15/87/61/323158761.db2.gz UTYFEYHIMBSBBG-GFCCVEGCSA-N 1 0 245.326 1.554 50 0 BDAARO CC(C)n1cnnc1CN1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000534674509 323158922 /nfs/dbraw/zinc/15/89/22/323158922.db2.gz CDNLTXFEGDEJCF-NEPJUHHUSA-N 1 0 249.362 1.043 50 0 BDAARO CCCC1(CNC(=O)[C@H]2C=CC[NH2+]2)CCC1 ZINC000534676013 323159834 /nfs/dbraw/zinc/15/98/34/323159834.db2.gz QGEYCGSETIVJTM-LLVKDONJSA-N 1 0 222.332 1.601 50 0 BDAARO CC[C@H]1c2ccccc2CCN1C(=O)C[NH3+] ZINC000083888224 487960231 /nfs/dbraw/zinc/96/02/31/487960231.db2.gz PBIPVBPCIHTVJH-LBPRGKRZSA-N 1 0 218.300 1.481 50 0 BDAARO CC1(C)C[N@H+](Cc2cncnc2)C[C@]1(C)O ZINC000091462432 488053772 /nfs/dbraw/zinc/05/37/72/488053772.db2.gz CRNAZCSUICAFTQ-LBPRGKRZSA-N 1 0 221.304 1.069 50 0 BDAARO Cc1nonc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000670472103 487531073 /nfs/dbraw/zinc/53/10/73/487531073.db2.gz RKZSNXNGIMSTGS-UHFFFAOYSA-N 1 0 238.335 1.294 50 0 BDAARO COc1cc(F)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000670435003 487486558 /nfs/dbraw/zinc/48/65/58/487486558.db2.gz KUDYMAQWWQOKCL-JTQLQIEISA-N 1 0 239.290 1.649 50 0 BDAARO Cc1ccc2c(c1)ncn([C@@H]1CC[C@@H]([NH3+])C1)c2=O ZINC000670438608 487488051 /nfs/dbraw/zinc/48/80/51/487488051.db2.gz PKDCTPXUJLSHBZ-GHMZBOCLSA-N 1 0 243.310 1.757 50 0 BDAARO C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)c1ccoc1)C2 ZINC000670452375 487505718 /nfs/dbraw/zinc/50/57/18/487505718.db2.gz OJOHSCLDWXTGHF-AAEUAGOBSA-N 1 0 248.326 1.836 50 0 BDAARO CNC(=O)C[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000670457226 487510891 /nfs/dbraw/zinc/51/08/91/487510891.db2.gz XIJDSVOVHWKLHE-GFCCVEGCSA-N 1 0 248.326 1.350 50 0 BDAARO OCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000223449101 488163076 /nfs/dbraw/zinc/16/30/76/488163076.db2.gz OVIKGOIRPPXDSW-GFCCVEGCSA-N 1 0 219.328 1.764 50 0 BDAARO O=C1CCC[C@H]2[NH2+][C@@H](c3ccccc3)C[C@@H]2N1 ZINC000077010760 490326848 /nfs/dbraw/zinc/32/68/48/490326848.db2.gz RVVMEYONXVHUPV-UPJWGTAASA-N 1 0 230.311 1.758 50 0 BDAARO Cn1ccnc1-c1n[nH]c2c1CC[C@H]1C[NH2+]C[C@H]21 ZINC000077010681 490327111 /nfs/dbraw/zinc/32/71/11/490327111.db2.gz BCZLLHJOYYXXRG-WPRPVWTQSA-N 1 0 243.314 1.059 50 0 BDAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000236631344 518409229 /nfs/dbraw/zinc/40/92/29/518409229.db2.gz ZQVPCTKVPUTDQL-SZNGSJQDSA-N 1 0 248.301 1.789 50 0 BDAARO C/C(=C/C(=O)N1CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000236630351 518410744 /nfs/dbraw/zinc/41/07/44/518410744.db2.gz SCRMIDDCUSBARP-CHOZFAJLSA-N 1 0 248.301 1.789 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H](C)[C@H]1C ZINC000236650696 519365436 /nfs/dbraw/zinc/36/54/36/519365436.db2.gz OVNBDJZGXHPUAN-AXFHLTTASA-N 1 0 212.337 1.617 50 0 BDAARO C[C@H]1CN([C@H]2CCCSC2)CC[NH2+]1 ZINC000251866399 524664289 /nfs/dbraw/zinc/66/42/89/524664289.db2.gz SXQGTRVVSXZJJQ-UWVGGRQHSA-N 1 0 200.351 1.176 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)C[C@H]1C ZINC000248616583 524702776 /nfs/dbraw/zinc/70/27/76/524702776.db2.gz AQDIBQCAKONPGF-NDBYEHHHSA-N 1 0 227.348 1.552 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C/c2ccccn2)C[C@H](C)[NH2+]1 ZINC000153469808 524738028 /nfs/dbraw/zinc/73/80/28/524738028.db2.gz SOZVITYTAFQRKW-PKRZQGHMSA-N 1 0 245.326 1.304 50 0 BDAARO Cc1cc(CNC(=O)[C@H](C)[NH+]2CCCC2)ccn1 ZINC000244626643 524743373 /nfs/dbraw/zinc/74/33/73/524743373.db2.gz FPRKQTLXCAQSRZ-LBPRGKRZSA-N 1 0 247.342 1.491 50 0 BDAARO Cc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cnn1C ZINC000244795589 525706354 /nfs/dbraw/zinc/70/63/54/525706354.db2.gz RJJWRYWZCYGATG-AWEZNQCLSA-N 1 0 248.374 1.399 50 0 BDAARO COc1cccc(CC[NH2+]Cc2ccnn2C)c1 ZINC000012398277 525900688 /nfs/dbraw/zinc/90/06/88/525900688.db2.gz BPILZOWSNJKECS-UHFFFAOYSA-N 1 0 245.326 1.761 50 0 BDAARO Cc1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000229017191 525949740 /nfs/dbraw/zinc/94/97/40/525949740.db2.gz BVGJUCLXSBTMBQ-YBJDMEARSA-N 1 0 230.311 1.568 50 0 BDAARO COc1cccc(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000221160970 526022288 /nfs/dbraw/zinc/02/22/88/526022288.db2.gz DXHZYCMQNLVEHM-CYBMUJFWSA-N 1 0 234.343 1.879 50 0 BDAARO [NH3+][C@H]1CCC[C@@H]1C(=O)N1Cc2ccccc2C1 ZINC000085373803 527403157 /nfs/dbraw/zinc/40/31/57/527403157.db2.gz KDKHCURQUSIWTO-STQMWFEESA-N 1 0 230.311 1.656 50 0 BDAARO CC[NH+](CC)CCOC(=O)c1cccnc1 ZINC000001678387 535542544 /nfs/dbraw/zinc/54/25/44/535542544.db2.gz JVWOCHRRAWHKLT-UHFFFAOYSA-N 1 0 222.288 1.580 50 0 in-man BDAARO CN(C(=O)C1([NH3+])CC1)c1ccc(F)c(F)c1 ZINC000237050738 535961010 /nfs/dbraw/zinc/96/10/10/535961010.db2.gz HRFYJRJJNNTMHH-UHFFFAOYSA-N 1 0 226.226 1.419 50 0 BDAARO COc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC000036456380 537062269 /nfs/dbraw/zinc/06/22/69/537062269.db2.gz BFLRVPIWYLEUOC-SNVBAGLBSA-N 1 0 206.289 1.623 50 0 BDAARO COc1cccc(N2CC[NH2+]C[C@H]2C)c1 ZINC000006661053 537125638 /nfs/dbraw/zinc/12/56/38/537125638.db2.gz VIUHJEYRGSUXOI-SNVBAGLBSA-N 1 0 206.289 1.493 50 0 BDAARO C[NH2+]CCc1nccc(C(F)(F)F)n1 ZINC000070948808 566272686 /nfs/dbraw/zinc/27/26/86/566272686.db2.gz PYFZKURZHPUNDM-UHFFFAOYSA-N 1 0 205.183 1.257 50 0 BDAARO Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@H](C)C[C@H]1[NH3+] ZINC000757207490 582560339 /nfs/dbraw/zinc/56/03/39/582560339.db2.gz BIPWZMLEUIJQDR-RGZBUGHASA-N 1 0 244.342 1.869 50 0 BDAARO O=c1c2ccc(F)cc2ncn1[C@H]1CCC[NH2+]C1 ZINC000258004811 634540302 /nfs/dbraw/zinc/54/03/02/634540302.db2.gz APGSYLJHGWBDBI-JTQLQIEISA-N 1 0 247.273 1.460 50 0 BDAARO CC(C)(C)[C@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958527904 635551049 /nfs/dbraw/zinc/55/10/49/635551049.db2.gz IDSXPHKETIYSDG-JTQLQIEISA-N 1 0 243.347 1.408 50 0 BDAARO C[C@H](O)[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000097095344 631269534 /nfs/dbraw/zinc/26/95/34/631269534.db2.gz YTHJJLBPWDUKND-RYUDHWBXSA-N 1 0 222.332 1.618 50 0 BDAARO CCC[C@H]1CN(Cc2nccnc2C)C[C@@H]1[NH3+] ZINC000092097622 631549374 /nfs/dbraw/zinc/54/93/74/631549374.db2.gz KJNIVHKNFPKAQQ-RYUDHWBXSA-N 1 0 234.347 1.344 50 0 BDAARO C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H](C)O ZINC000023281207 632771447 /nfs/dbraw/zinc/77/14/47/632771447.db2.gz AQTMFJLZIGJQJP-PHIMTYICSA-N 1 0 241.306 1.389 50 0 BDAARO Cc1cnc([C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)o1 ZINC000933735258 640760326 /nfs/dbraw/zinc/76/03/26/640760326.db2.gz HCLRLKCPYFSDRN-MBNYWOFBSA-N 1 0 249.358 1.928 50 0 BDAARO [NH3+][C@H](C1CCC1)[C@]1(O)CCCSC1 ZINC000958528541 644807458 /nfs/dbraw/zinc/80/74/58/644807458.db2.gz QBZJNQKGCFYVEB-ZJUUUORDSA-N 1 0 201.335 1.372 50 0 BDAARO CCOC(=O)c1nc(C2CC[NH2+]CC2)[nH]c1C ZINC000950757233 712726313 /nfs/dbraw/zinc/72/63/13/712726313.db2.gz JKXARTFMOKYVIB-UHFFFAOYSA-N 1 0 237.303 1.362 50 0 BDAARO C=CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000585079645 972112103 /nfs/dbraw/zinc/11/21/03/972112103.db2.gz ALXZZIZFASDOPW-UHFFFAOYSA-N 1 0 244.338 1.737 50 0 BDAARO Cc1cc(C[NH2+]CCc2cn(C)nn2)ccc1F ZINC000585089177 972128756 /nfs/dbraw/zinc/12/87/56/972128756.db2.gz ZGCXQOCOVJUPAI-UHFFFAOYSA-N 1 0 248.305 1.595 50 0 BDAARO C[N@H+](CCCO)C[C@@H]1CN=C(c2ccccc2)O1 ZINC000585115933 972146175 /nfs/dbraw/zinc/14/61/75/972146175.db2.gz AHYGJXCMMBJUER-ZDUSSCGKSA-N 1 0 248.326 1.146 50 0 BDAARO CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH3+] ZINC000000014037 956870940 /nfs/dbraw/zinc/87/09/40/956870940.db2.gz GJJFMKBJSRMPLA-HIFRSBDPSA-N 1 0 246.354 1.771 50 0 fda BDAARO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000211672560 957878599 /nfs/dbraw/zinc/87/85/99/957878599.db2.gz HFAZFQJYDPHNQJ-NXEZZACHSA-N 1 0 228.336 1.899 50 0 BDAARO C[N@@H+]1CCCC[C@H]1COc1cnccn1 ZINC000585654434 959546921 /nfs/dbraw/zinc/54/69/21/959546921.db2.gz HXPXYPRWXFMLKP-JTQLQIEISA-N 1 0 207.277 1.340 50 0 BDAARO Cc1nc[nH]c1C[NH2+]Cc1cccc(CO)c1 ZINC000227455284 960611659 /nfs/dbraw/zinc/61/16/59/960611659.db2.gz HBBIQGJITRHHBU-UHFFFAOYSA-N 1 0 231.299 1.500 50 0 BDAARO CCNC(=O)N1CCC[N@@H+](C2CCC2)CC1 ZINC000823126795 968539712 /nfs/dbraw/zinc/53/97/12/968539712.db2.gz UIGDCKUNYYWPIP-UHFFFAOYSA-N 1 0 225.336 1.276 50 0 BDAARO CC1(C(N)=O)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000826828762 968678132 /nfs/dbraw/zinc/67/81/32/968678132.db2.gz XDSKMGMUQGRVTH-NSHDSACASA-N 1 0 240.347 1.000 50 0 BDAARO Cc1cncc(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000585651063 973917805 /nfs/dbraw/zinc/91/78/05/973917805.db2.gz JSHNYPZVWNXPSB-LLVKDONJSA-N 1 0 219.288 1.258 50 0 BDAARO Fc1cccnc1O[C@H]1C[NH+]2CCC1CC2 ZINC000585654983 973928467 /nfs/dbraw/zinc/92/84/67/973928467.db2.gz PLKYMRSCAIYBEU-NSHDSACASA-N 1 0 222.263 1.694 50 0 BDAARO Cn1cncc1-c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000952883972 974063593 /nfs/dbraw/zinc/06/35/93/974063593.db2.gz USCCCGVWRPTIBD-AWEZNQCLSA-N 1 0 243.310 1.748 50 0 BDAARO CC[C@H](C(=O)NCC1CCC1)[N@H+](C)CC ZINC000952867834 974066302 /nfs/dbraw/zinc/06/63/02/974066302.db2.gz TVBHELLRKRHBQK-LLVKDONJSA-N 1 0 212.337 1.633 50 0 BDAARO C[NH2+]C1(C(=O)NCC[C@H]2CCCCO2)CCC1 ZINC000383779856 986687290 /nfs/dbraw/zinc/68/72/90/986687290.db2.gz OYDKLDXRGBKCLK-LLVKDONJSA-N 1 0 240.347 1.204 50 0 BDAARO Cc1nncn1CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001506403040 988773833 /nfs/dbraw/zinc/77/38/33/988773833.db2.gz MHMCQAYJRROKOM-BETUJISGSA-N 1 0 232.331 1.485 50 0 BDAARO Cn1cc(C[N@H+](C)CC2(CO)CCC2)cn1 ZINC001506428666 988785612 /nfs/dbraw/zinc/78/56/12/988785612.db2.gz RPXVHRYNJAUPPL-UHFFFAOYSA-N 1 0 223.320 1.015 50 0 BDAARO O=C(NCC[NH2+]Cc1ccco1)c1ccccc1 ZINC000004498125 136208125 /nfs/dbraw/zinc/20/81/25/136208125.db2.gz HYIITDFRNMTEAM-UHFFFAOYSA-N 1 0 244.294 1.799 50 0 BDAARO CC[C@](C)([NH3+])c1nc(C(C)(C)C)cc(=O)[nH]1 ZINC000070948732 398142052 /nfs/dbraw/zinc/14/20/52/398142052.db2.gz DNDVTFLBWCVBKP-LBPRGKRZSA-N 1 0 223.320 1.651 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000071373410 398148125 /nfs/dbraw/zinc/14/81/25/398148125.db2.gz JNZMRBKTBFPQJA-ZJUUUORDSA-N 1 0 226.320 1.748 50 0 BDAARO CC[C@@H](NC(=O)C1([NH3+])CC1)c1ccc(OC)cc1 ZINC000071439854 398150276 /nfs/dbraw/zinc/15/02/76/398150276.db2.gz VRARUIWOCZKOGM-GFCCVEGCSA-N 1 0 248.326 1.754 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000072109523 398177680 /nfs/dbraw/zinc/17/76/80/398177680.db2.gz IHTTXKKKRHFNJF-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)[nH]n1 ZINC000090529446 178058587 /nfs/dbraw/zinc/05/85/87/178058587.db2.gz HCVCJFSESCPAAG-GXSJLCMTSA-N 1 0 247.346 1.733 50 0 BDAARO CC(C)(C)n1cc(C[NH2+]C[C@H]2CCCO2)cn1 ZINC000037215344 361753858 /nfs/dbraw/zinc/75/38/58/361753858.db2.gz CMPWKWZXETXJDR-GFCCVEGCSA-N 1 0 237.347 1.907 50 0 BDAARO c1cn(C[C@H]2CCC[N@@H+]2Cc2cc[nH]c2)cn1 ZINC000170603119 361788868 /nfs/dbraw/zinc/78/88/68/361788868.db2.gz DPALHKLDBCUSEW-CYBMUJFWSA-N 1 0 230.315 1.876 50 0 BDAARO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000037262832 361795605 /nfs/dbraw/zinc/79/56/05/361795605.db2.gz VBYFMUOQFLICQV-GHMZBOCLSA-N 1 0 228.336 1.058 50 0 BDAARO Cc1ccc(-c2noc(C3C[NH2+]C3)n2)cc1 ZINC000048981099 178342468 /nfs/dbraw/zinc/34/24/68/178342468.db2.gz WBJIHLXAXRQBNQ-UHFFFAOYSA-N 1 0 215.256 1.732 50 0 BDAARO Cc1ccc(-n2nnnc2C(C)(C)[NH3+])cc1 ZINC000020198752 178350576 /nfs/dbraw/zinc/35/05/76/178350576.db2.gz PWWJTFRKAHECOH-UHFFFAOYSA-N 1 0 217.276 1.165 50 0 BDAARO CC[C@](C)([NH3+])c1nnnn1-c1ccc(C)cc1 ZINC000035511684 538957561 /nfs/dbraw/zinc/95/75/61/538957561.db2.gz RPDCNSZGDFSSIU-LBPRGKRZSA-N 1 0 231.303 1.555 50 0 BDAARO CCC1CCC([NH+]2CCN(C=O)CC2)CC1 ZINC000000214265 342680478 /nfs/dbraw/zinc/68/04/78/342680478.db2.gz QCNZNPRPKZASRM-UHFFFAOYSA-N 1 0 224.348 1.729 50 0 BDAARO O=C(c1cc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC000000509902 342689190 /nfs/dbraw/zinc/68/91/90/342689190.db2.gz FIVCRRVYLAXYFC-UHFFFAOYSA-N 1 0 229.283 1.213 50 0 in-vivo BDAARO Cc1ccc[n+](Cc2cnc(C)nc2N)c1 ZINC000000274384 342681890 /nfs/dbraw/zinc/68/18/90/342681890.db2.gz INJSPOBQHYBGNS-UHFFFAOYSA-N 1 0 215.280 1.011 50 0 BDAARO O[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000036141591 538959147 /nfs/dbraw/zinc/95/91/47/538959147.db2.gz GMLFJRPDEDTWNR-JQWIXIFHSA-N 1 0 205.257 1.235 50 0 BDAARO CCCCOC[C@H](O)C[NH+]1CCCCC1 ZINC000001826830 342712904 /nfs/dbraw/zinc/71/29/04/342712904.db2.gz VELFHCRDXQPIHM-GFCCVEGCSA-N 1 0 215.337 1.650 50 0 BDAARO CSc1nnc(CCC[NH3+])n1CC(C)C ZINC000004206933 342744372 /nfs/dbraw/zinc/74/43/72/342744372.db2.gz OZVVGHPOHUFVIR-UHFFFAOYSA-N 1 0 228.365 1.547 50 0 BDAARO Cc1cc(C)n2c(nnc2[C@H]([NH3+])CC(C)C)n1 ZINC000004219201 342744641 /nfs/dbraw/zinc/74/46/41/342744641.db2.gz NEGFIFLDCADROF-SNVBAGLBSA-N 1 0 233.319 1.787 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000002512969 342721677 /nfs/dbraw/zinc/72/16/77/342721677.db2.gz DPJPFGHHTJLWQQ-QMMMGPOBSA-N 1 0 200.282 1.263 50 0 BDAARO Cc1nnc(N(C)C[C@@H]2CCCC[N@@H+]2C)s1 ZINC000584904065 342737117 /nfs/dbraw/zinc/73/71/17/342737117.db2.gz PCZGCGABISNFHX-JTQLQIEISA-N 1 0 240.376 1.767 50 0 BDAARO Cc1cccc(NC(=S)NCC[NH+](C)C)c1 ZINC000004881497 342753848 /nfs/dbraw/zinc/75/38/48/342753848.db2.gz UJWWMHIPDGVAFU-UHFFFAOYSA-N 1 0 237.372 1.843 50 0 BDAARO C[NH2+]CCc1ncc(Br)cn1 ZINC000070948828 361901187 /nfs/dbraw/zinc/90/11/87/361901187.db2.gz QYJQXUBMBWPRGH-UHFFFAOYSA-N 1 0 216.082 1.001 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000043214578 342791231 /nfs/dbraw/zinc/79/12/31/342791231.db2.gz IKTNEZKFSOMQJI-HBNTYKKESA-N 1 0 240.347 1.981 50 0 BDAARO C[NH+](C)Cc1ccnc(NCc2csnn2)c1 ZINC000097378081 342793062 /nfs/dbraw/zinc/79/30/62/342793062.db2.gz UBLRMUGRWQEMAY-UHFFFAOYSA-N 1 0 249.343 1.607 50 0 BDAARO C[C@@H]1OCCN(C(=O)[C@H]([NH3+])c2ccccc2)[C@H]1C ZINC000157531081 342799032 /nfs/dbraw/zinc/79/90/32/342799032.db2.gz UUAVANWXXWCDMM-GMXVVIOVSA-N 1 0 248.326 1.322 50 0 BDAARO Cc1c(Cl)cccc1NC(=O)CC[NH3+] ZINC000011755242 342843024 /nfs/dbraw/zinc/84/30/24/342843024.db2.gz RLFLKIGVLRYSJK-UHFFFAOYSA-N 1 0 212.680 1.936 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCCO1 ZINC000042269927 361976256 /nfs/dbraw/zinc/97/62/56/361976256.db2.gz JJHMKWFIFVTDRT-VXGBXAGGSA-N 1 0 223.320 1.430 50 0 BDAARO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000110692830 398300448 /nfs/dbraw/zinc/30/04/48/398300448.db2.gz HPMCEZYFHSLZSP-OCCSQVGLSA-N 1 0 235.327 1.403 50 0 BDAARO COc1cc(Cl)c(C)cc1NC(=O)C[NH3+] ZINC000011957249 342845237 /nfs/dbraw/zinc/84/52/37/342845237.db2.gz VKIJEKYZWOPAKJ-UHFFFAOYSA-N 1 0 228.679 1.554 50 0 BDAARO CC[NH+](CC)CCNc1cc(C)nc(C)n1 ZINC000012016448 342846023 /nfs/dbraw/zinc/84/60/23/342846023.db2.gz IQWPYYQXFTVKNR-UHFFFAOYSA-N 1 0 222.336 1.847 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+][C@H]2C1 ZINC000012506739 342853000 /nfs/dbraw/zinc/85/30/00/342853000.db2.gz VGJOEEIXDPWTAZ-IUCAKERBSA-N 1 0 212.293 1.215 50 0 BDAARO C[C@H]([NH3+])C(=O)N1c2ccccc2C[C@H]1C ZINC000013566384 342868006 /nfs/dbraw/zinc/86/80/06/342868006.db2.gz FNFYZMMJAMAITB-BDAKNGLRSA-N 1 0 204.273 1.311 50 0 BDAARO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[NH2+]C1 ZINC000036162838 342894022 /nfs/dbraw/zinc/89/40/22/342894022.db2.gz WSAIHEPRWSNKNL-JTQLQIEISA-N 1 0 233.267 1.598 50 0 BDAARO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[NH2+]C1 ZINC000036162835 342894096 /nfs/dbraw/zinc/89/40/96/342894096.db2.gz WSAIHEPRWSNKNL-SNVBAGLBSA-N 1 0 233.267 1.598 50 0 BDAARO Cc1n[nH]c(CC[NH2+]Cc2ccccc2)n1 ZINC000095455753 398316535 /nfs/dbraw/zinc/31/65/35/398316535.db2.gz GKRLHJNBAQKCFX-UHFFFAOYSA-N 1 0 216.288 1.445 50 0 BDAARO CCOc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632229 342883313 /nfs/dbraw/zinc/88/33/13/342883313.db2.gz XLNAXXXXGWNMDS-GFCCVEGCSA-N 1 0 207.273 1.826 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000019430867 398313855 /nfs/dbraw/zinc/31/38/55/398313855.db2.gz OHNLKIUIFXVJHL-LLVKDONJSA-N 1 0 212.337 1.762 50 0 BDAARO [NH3+][C@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000015015147 342890705 /nfs/dbraw/zinc/89/07/05/342890705.db2.gz AHZSYFBVHQBLNO-ZDUSSCGKSA-N 1 0 240.306 1.899 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2cccs2)CC1 ZINC000016604463 342913182 /nfs/dbraw/zinc/91/31/82/342913182.db2.gz AARHBTHWYRWOBQ-UHFFFAOYSA-N 1 0 238.356 1.962 50 0 BDAARO Cc1cccc(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000124730417 398339019 /nfs/dbraw/zinc/33/90/19/398339019.db2.gz ZBQUKHKHLPKHRB-GXTWGEPZSA-N 1 0 246.354 1.876 50 0 BDAARO CC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000019201113 342943447 /nfs/dbraw/zinc/94/34/47/342943447.db2.gz MQWATGWNAABUOY-AWEZNQCLSA-N 1 0 233.359 1.324 50 0 BDAARO CSC1(C[N@H+](C)CC(C)(CO)CO)CCC1 ZINC000252483654 398342793 /nfs/dbraw/zinc/34/27/93/398342793.db2.gz FGOKTSWVMVVMKF-UHFFFAOYSA-N 1 0 247.404 1.195 50 0 BDAARO Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000019269052 342944838 /nfs/dbraw/zinc/94/48/38/342944838.db2.gz PSQACRYGRXVOCZ-UHFFFAOYSA-N 1 0 206.289 1.226 50 0 BDAARO Cc1ccc(C[NH+]2CCN(CCO)CC2)c(C)c1 ZINC000019606780 342951815 /nfs/dbraw/zinc/95/18/15/342951815.db2.gz VBRFPISKYBCDAO-UHFFFAOYSA-N 1 0 248.370 1.413 50 0 BDAARO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000019390167 342947476 /nfs/dbraw/zinc/94/74/76/342947476.db2.gz KUSRTXAMFSKVAK-SNVBAGLBSA-N 1 0 236.290 1.555 50 0 BDAARO O=C(Oc1ccccc1)N1CC[NH2+]CC1 ZINC000019815551 342958862 /nfs/dbraw/zinc/95/88/62/342958862.db2.gz NENLIGJPMYKXNE-UHFFFAOYSA-N 1 0 206.245 1.091 50 0 BDAARO Clc1ccccc1CN1CC[NH2+]CC1 ZINC000019735177 342955358 /nfs/dbraw/zinc/95/53/58/342955358.db2.gz JOWPEBYCPPLVNX-UHFFFAOYSA-N 1 0 210.708 1.745 50 0 BDAARO CCOc1cccc(OCCC[NH2+]CCN)c1 ZINC000020118180 342969594 /nfs/dbraw/zinc/96/95/94/342969594.db2.gz WXCFXBLNOQJNJW-UHFFFAOYSA-N 1 0 238.331 1.403 50 0 BDAARO CC(=O)NCC[NH2+]Cc1ccc(C)s1 ZINC000020185040 342975257 /nfs/dbraw/zinc/97/52/57/342975257.db2.gz FHSWCCUPEHRIIJ-UHFFFAOYSA-N 1 0 212.318 1.282 50 0 BDAARO Cc1ccc(N)cc1NC(=O)CC[NH+](C)C ZINC000022161918 343042487 /nfs/dbraw/zinc/04/24/87/343042487.db2.gz OYARFPVMOOFAFD-UHFFFAOYSA-N 1 0 221.304 1.467 50 0 BDAARO C[C@H]1CCC[N@H+](Cc2cccnc2)[C@H]1CO ZINC000335909537 136262119 /nfs/dbraw/zinc/26/21/19/136262119.db2.gz XRYVWTACDBRXSH-AAEUAGOBSA-N 1 0 220.316 1.674 50 0 BDAARO CC[NH+](CC)[C@@H](CN)Cc1ccccc1 ZINC000022920567 343056516 /nfs/dbraw/zinc/05/65/16/343056516.db2.gz AIVMKJMWYKBLGW-CYBMUJFWSA-N 1 0 206.333 1.898 50 0 BDAARO COC(=O)C[C@@H]1c2ccccc2CC[N@H+]1C ZINC000023623084 343066496 /nfs/dbraw/zinc/06/64/96/343066496.db2.gz WGGDSYREZHBGJJ-GFCCVEGCSA-N 1 0 219.284 1.779 50 0 BDAARO COCCC[NH+]1CC(n2cc(C)cn2)C1 ZINC000072253869 343097557 /nfs/dbraw/zinc/09/75/57/343097557.db2.gz IQPJDAITYSBGQP-UHFFFAOYSA-N 1 0 209.293 1.085 50 0 BDAARO c1coc(-c2nnc([C@H]3CCC[NH2+]C3)o2)c1 ZINC000026424241 343104892 /nfs/dbraw/zinc/10/48/92/343104892.db2.gz GIZPCJKEFBDREI-QMMMGPOBSA-N 1 0 219.244 1.797 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]Cc1ccco1 ZINC000032496994 343236238 /nfs/dbraw/zinc/23/62/38/343236238.db2.gz NJRQALNDVRORSR-NSHDSACASA-N 1 0 208.305 1.854 50 0 BDAARO COc1ccccc1[C@H](C)[N@H+](C)CCO ZINC000072309092 343263298 /nfs/dbraw/zinc/26/32/98/343263298.db2.gz HHLYUDNCTVEXKS-JTQLQIEISA-N 1 0 209.289 1.680 50 0 BDAARO COc1ccccc1[C@@H](C)[N@H+](C)CCO ZINC000072309093 343263362 /nfs/dbraw/zinc/26/33/62/343263362.db2.gz HHLYUDNCTVEXKS-SNVBAGLBSA-N 1 0 209.289 1.680 50 0 BDAARO C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000004021108 343272731 /nfs/dbraw/zinc/27/27/31/343272731.db2.gz ZZEINKPTFWVMPI-OUAUKWLOSA-N 1 0 210.321 1.372 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000004988173 343273292 /nfs/dbraw/zinc/27/32/92/343273292.db2.gz FGUPSRUECBFZEN-GFCCVEGCSA-N 1 0 248.326 1.393 50 0 BDAARO [NH3+][C@@H]1CN(Cc2ccccc2)CC12CC2 ZINC000034502149 343273534 /nfs/dbraw/zinc/27/35/34/343273534.db2.gz PGEGEJNTABPWJH-GFCCVEGCSA-N 1 0 202.301 1.610 50 0 BDAARO C[C@@H](CCn1cccn1)[NH2+]CCc1cnn(C)c1 ZINC000158671335 343278031 /nfs/dbraw/zinc/27/80/31/343278031.db2.gz WVMRGOPGWSEFMG-LBPRGKRZSA-N 1 0 247.346 1.228 50 0 BDAARO CC(C)N(CCC[NH3+])C(=O)OC(C)(C)C ZINC000034960082 343281809 /nfs/dbraw/zinc/28/18/09/343281809.db2.gz FMJYSGLQUZZKNY-UHFFFAOYSA-N 1 0 216.325 1.981 50 0 BDAARO O=C1C[C@@H]([NH2+]CC2CC2)C(=O)N1c1ccccc1 ZINC000036852985 343325608 /nfs/dbraw/zinc/32/56/08/343325608.db2.gz IWBWHDRBHANGBV-GFCCVEGCSA-N 1 0 244.294 1.318 50 0 BDAARO CCCCC(=O)NC1CC[NH+](CCOC)CC1 ZINC000047799259 343296141 /nfs/dbraw/zinc/29/61/41/343296141.db2.gz YKXIICHVBAKIQO-UHFFFAOYSA-N 1 0 242.363 1.404 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH3+] ZINC000035569317 343297748 /nfs/dbraw/zinc/29/77/48/343297748.db2.gz PAXDIBGWURAVIH-YUMQZZPRSA-N 1 0 200.282 1.391 50 0 BDAARO C[C@@]([NH3+])(CO)c1ccc(Br)cc1 ZINC000038124589 343371552 /nfs/dbraw/zinc/37/15/52/343371552.db2.gz OVNIDBFUZGLLRQ-SECBINFHSA-N 1 0 230.105 1.615 50 0 BDAARO O=C1CC2(CN1)CC[NH+](Cc1ccccc1)CC2 ZINC000038418370 343374979 /nfs/dbraw/zinc/37/49/79/343374979.db2.gz OHUKTYVHYSBFFY-UHFFFAOYSA-N 1 0 244.338 1.789 50 0 BDAARO O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CC[NH2+]CC1 ZINC000038478380 343375625 /nfs/dbraw/zinc/37/56/25/343375625.db2.gz CQIWZIIWZMWNKV-VXGBXAGGSA-N 1 0 248.301 1.361 50 0 BDAARO C[NH+]1CC(CNC(=O)OC(C)(C)C)C1 ZINC000038526271 343375828 /nfs/dbraw/zinc/37/58/28/343375828.db2.gz WBLWBEHGMCXLRZ-UHFFFAOYSA-N 1 0 200.282 1.073 50 0 BDAARO N[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1[NH3+] ZINC000038579549 343377231 /nfs/dbraw/zinc/37/72/31/343377231.db2.gz NWDYSRZJOLDMRE-QDIHITRGSA-N 1 0 236.318 1.932 50 0 BDAARO Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000050228302 178517318 /nfs/dbraw/zinc/51/73/18/178517318.db2.gz CUOLHIQNQXSGJA-LBPRGKRZSA-N 1 0 218.300 1.097 50 0 BDAARO Clc1ccc(OC2CC[NH2+]CC2)nn1 ZINC000040434759 343403108 /nfs/dbraw/zinc/40/31/08/343403108.db2.gz HZJIMSRPPBRERY-UHFFFAOYSA-N 1 0 213.668 1.261 50 0 BDAARO CO[C@@H]1C[NH2+][C@@H](c2nc(-c3cccnc3)c[nH]2)C1 ZINC000040637904 343407991 /nfs/dbraw/zinc/40/79/91/343407991.db2.gz YSCCZNNXGFUKFS-WDEREUQCSA-N 1 0 244.298 1.521 50 0 BDAARO O=C(O[C@H]1CCC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768346 343451185 /nfs/dbraw/zinc/45/11/85/343451185.db2.gz QVMUDDOMTOHULU-VIFPVBQESA-N 1 0 240.690 1.644 50 0 BDAARO CCCc1ccc(OC2C[NH2+]C2)c(OC)c1 ZINC000042770086 343451896 /nfs/dbraw/zinc/45/18/96/343451896.db2.gz BKPYGMWVIBADKY-UHFFFAOYSA-N 1 0 221.300 1.998 50 0 BDAARO COC(=O)c1ccccc1O[C@H]1CC[NH2+]C1 ZINC000042775644 343452152 /nfs/dbraw/zinc/45/21/52/343452152.db2.gz FGPWIMFJOVNOGZ-VIFPVBQESA-N 1 0 221.256 1.214 50 0 BDAARO COC(=O)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC000042775619 343452260 /nfs/dbraw/zinc/45/22/60/343452260.db2.gz HZTVEKKBFZDCCE-JTQLQIEISA-N 1 0 235.283 1.604 50 0 BDAARO COC(=O)c1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000042775640 343452556 /nfs/dbraw/zinc/45/25/56/343452556.db2.gz FGPWIMFJOVNOGZ-SECBINFHSA-N 1 0 221.256 1.214 50 0 BDAARO CCCn1c(CC[NH3+])nc2cccnc21 ZINC000045796158 343534495 /nfs/dbraw/zinc/53/44/95/343534495.db2.gz SGQQCOJFDWDMKQ-UHFFFAOYSA-N 1 0 204.277 1.343 50 0 BDAARO Cc1sc2ncn(CC[NH3+])c(=O)c2c1C ZINC000013723664 346964640 /nfs/dbraw/zinc/96/46/40/346964640.db2.gz OFXPCECGVKNBJJ-UHFFFAOYSA-N 1 0 223.301 1.034 50 0 BDAARO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CF)CC1 ZINC000334543659 343891177 /nfs/dbraw/zinc/89/11/77/343891177.db2.gz OSVQFUUEQNIIJE-LLVKDONJSA-N 1 0 228.311 1.289 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000091666759 343898734 /nfs/dbraw/zinc/89/87/34/343898734.db2.gz QDKBVOPWMUJSEI-ZOBORPQBSA-N 1 0 240.391 1.731 50 0 BDAARO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225595 344267168 /nfs/dbraw/zinc/26/71/68/344267168.db2.gz ZBQOOGNPIZZOFB-CYBMUJFWSA-N 1 0 234.343 1.966 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1Cn1cc(-c2ncc[nH]2)nn1 ZINC000091254357 344279077 /nfs/dbraw/zinc/27/90/77/344279077.db2.gz ZJLCKZMGCPSPLV-SNVBAGLBSA-N 1 0 246.318 1.153 50 0 BDAARO CCc1cnc(N)nc1NC[C@@H]1CCCCC[NH2+]1 ZINC000095357588 344334581 /nfs/dbraw/zinc/33/45/81/344334581.db2.gz JDGWYTGXGFAMHO-NSHDSACASA-N 1 0 249.362 1.565 50 0 BDAARO c1ccc(CN2C[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000101392673 344421411 /nfs/dbraw/zinc/42/14/11/344421411.db2.gz HSZHVFDKBROTBA-OLZOCXBDSA-N 1 0 202.301 1.480 50 0 BDAARO O=C1CCC[C@H]2[C@H]3C[C@@H](CN12)[C@@H]1CCCC[N@@H+]1C3 ZINC000000265451 344668908 /nfs/dbraw/zinc/66/89/08/344668908.db2.gz JYIJIIVLEOETIQ-XUXIUFHCSA-N 1 0 248.370 1.872 50 0 biogenic,in-vitro BDAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccn[nH]1 ZINC000248114159 345044918 /nfs/dbraw/zinc/04/49/18/345044918.db2.gz ICQWVDOCPJTOEV-NWDGAFQWSA-N 1 0 248.330 1.109 50 0 BDAARO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc[nH]1 ZINC000248165153 345066327 /nfs/dbraw/zinc/06/63/27/345066327.db2.gz ZNVWMKBJQUROOG-CHWSQXEVSA-N 1 0 247.342 1.714 50 0 BDAARO CCOc1ncccc1NC1CC[NH2+]CC1 ZINC000038041111 345186241 /nfs/dbraw/zinc/18/62/41/345186241.db2.gz UMUFUXZQATUBAV-UHFFFAOYSA-N 1 0 221.304 1.644 50 0 BDAARO CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000081276041 345466695 /nfs/dbraw/zinc/46/66/95/345466695.db2.gz DIJPPYQLUPCWQN-UHFFFAOYSA-N 1 0 238.375 1.977 50 0 BDAARO CC[C@@]1(C(=O)N(C)C[C@@H](C)COC)CCC[NH2+]1 ZINC000170082400 345537387 /nfs/dbraw/zinc/53/73/87/345537387.db2.gz WPAFOSUDCDXRTI-YPMHNXCESA-N 1 0 242.363 1.260 50 0 BDAARO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CCOC2)n1 ZINC000093839760 345757309 /nfs/dbraw/zinc/75/73/09/345757309.db2.gz PYQPXEPSGMGLFM-LLVKDONJSA-N 1 0 236.315 1.564 50 0 BDAARO OC[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000164516743 345785197 /nfs/dbraw/zinc/78/51/97/345785197.db2.gz BHXUQFUAJAYUGO-CYBMUJFWSA-N 1 0 205.301 1.686 50 0 BDAARO Cc1nc(C[NH2+]C2(CCO)CCC2)cs1 ZINC000075092938 345840588 /nfs/dbraw/zinc/84/05/88/345840588.db2.gz CLUWEVWJZAQLBI-UHFFFAOYSA-N 1 0 226.345 1.846 50 0 BDAARO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCS(C)(=O)=O ZINC000075838176 537932128 /nfs/dbraw/zinc/93/21/28/537932128.db2.gz WLXQEAIAMZLKKI-WOPDTQHZSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CC(N)=O)[C@@H]12 ZINC000685945195 537935391 /nfs/dbraw/zinc/93/53/91/537935391.db2.gz GNVFJLRIGNOVOF-FOGDFJRCSA-N 1 0 210.321 1.372 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000044540951 179009072 /nfs/dbraw/zinc/00/90/72/179009072.db2.gz ICHALZVGTDMSSP-NSHDSACASA-N 1 0 233.315 1.343 50 0 BDAARO Cc1cccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496684 179022891 /nfs/dbraw/zinc/02/28/91/179022891.db2.gz QBNLHOANVIRYRH-DGCLKSJQSA-N 1 0 232.327 1.865 50 0 BDAARO Cc1cccc(CC(=O)NCC[NH2+]C2CC2)c1 ZINC000054265380 179052981 /nfs/dbraw/zinc/05/29/81/179052981.db2.gz OEEKFVQZFTULFM-UHFFFAOYSA-N 1 0 232.327 1.406 50 0 BDAARO Cc1cccc(CCC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000051986166 179053008 /nfs/dbraw/zinc/05/30/08/179053008.db2.gz FBDNTASPKZWXMO-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO Cc1cccc(CC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000052127747 179053273 /nfs/dbraw/zinc/05/32/73/179053273.db2.gz QSSDMWMSJDPUGH-CQSZACIVSA-N 1 0 246.354 1.653 50 0 BDAARO Cc1cccc(CN2CC[NH2+]CCC2=O)c1 ZINC000042784343 179080517 /nfs/dbraw/zinc/08/05/17/179080517.db2.gz BKGWDWLSEWCLGI-UHFFFAOYSA-N 1 0 218.300 1.317 50 0 BDAARO Cc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000000276942 179076078 /nfs/dbraw/zinc/07/60/78/179076078.db2.gz MAKIBNRGJCXOCW-CYBMUJFWSA-N 1 0 205.301 1.952 50 0 BDAARO Cc1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000020055648 179127158 /nfs/dbraw/zinc/12/71/58/179127158.db2.gz AGUJOYWOBAZCQP-ZDUSSCGKSA-N 1 0 248.326 1.702 50 0 BDAARO Cc1ccc(COC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000016578878 346641974 /nfs/dbraw/zinc/64/19/74/346641974.db2.gz GCPZUFJLSKPLEJ-OAHLLOKOSA-N 1 0 249.354 1.968 50 0 BDAARO Cc1cccc([C@@H](C)NC[C@@H](O)C[NH+](C)C)c1 ZINC000096477266 179183466 /nfs/dbraw/zinc/18/34/66/179183466.db2.gz GSYIJRXEHAVPNJ-TZMCWYRMSA-N 1 0 236.359 1.568 50 0 BDAARO Cc1ccccc1CC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000070076042 179257208 /nfs/dbraw/zinc/25/72/08/179257208.db2.gz QCKLIBUGLNBZBK-CHWSQXEVSA-N 1 0 246.354 1.746 50 0 BDAARO O[C@H]1COC[C@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000195558922 347645820 /nfs/dbraw/zinc/64/58/20/347645820.db2.gz BJWQSQIUOIJNNJ-PQAZSJQKSA-N 1 0 233.311 1.282 50 0 BDAARO C[C@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCO1 ZINC000195560590 347646709 /nfs/dbraw/zinc/64/67/09/347646709.db2.gz GJIFTDWKYVQYLM-NWDGAFQWSA-N 1 0 240.347 1.156 50 0 BDAARO Cc1ccccc1C[NH2+]CC(=O)N(C)C ZINC000037207332 179280404 /nfs/dbraw/zinc/28/04/04/179280404.db2.gz SQZFHAXJZBHWDC-UHFFFAOYSA-N 1 0 206.289 1.173 50 0 BDAARO Cc1ccccc1C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193563233 179282400 /nfs/dbraw/zinc/28/24/00/179282400.db2.gz RJOHUIMPKRRQJP-AAEUAGOBSA-N 1 0 232.327 1.609 50 0 BDAARO [NH3+][C@@H](C(=O)NC[C@H]1CCCOC1)c1ccccc1 ZINC000038046111 348039070 /nfs/dbraw/zinc/03/90/70/348039070.db2.gz YXEAZUIVJHQOKF-DGCLKSJQSA-N 1 0 248.326 1.229 50 0 BDAARO Cc1cccn2c(C[NH2+][C@H](C)CO)cnc12 ZINC000065508146 179355095 /nfs/dbraw/zinc/35/50/95/179355095.db2.gz FLKFVLLPLAPAAU-SNVBAGLBSA-N 1 0 219.288 1.113 50 0 BDAARO Cc1cccnc1CN1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091846852 179378964 /nfs/dbraw/zinc/37/89/64/179378964.db2.gz ZPGHCCMTMXESNH-OLZOCXBDSA-N 1 0 231.343 1.559 50 0 BDAARO CCc1nnc(CN2CC[N@@H+]3CCCC[C@H]3C2)[nH]1 ZINC000249284013 349162072 /nfs/dbraw/zinc/16/20/72/349162072.db2.gz HNXIUQRWWILHTO-NSHDSACASA-N 1 0 249.362 1.037 50 0 BDAARO OC[C@@H]1CSC[C@@H](c2ccccc2)[NH2+]1 ZINC000068575699 191002176 /nfs/dbraw/zinc/00/21/76/191002176.db2.gz UWFUIBSJCDOJPV-MNOVXSKESA-N 1 0 209.314 1.425 50 0 BDAARO CC(=O)N1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000068589832 191002522 /nfs/dbraw/zinc/00/25/22/191002522.db2.gz PGPPWUWWIXVYRC-ZDUSSCGKSA-N 1 0 224.348 1.777 50 0 BDAARO Cc1nc2sccc2c(N2CC[C@@H]([NH3+])C2)n1 ZINC000055281014 180003271 /nfs/dbraw/zinc/00/32/71/180003271.db2.gz FKQNIEBSJZDELG-MRVPVSSYSA-N 1 0 234.328 1.537 50 0 BDAARO Cc1nc(-c2ccccc2)cc(NN)[nH+]1 ZINC000000343388 180020192 /nfs/dbraw/zinc/02/01/92/180020192.db2.gz XQAHEWMHCLJMDV-UHFFFAOYSA-N 1 0 200.245 1.738 50 0 BDAARO Cc1nc2n(n1)C[C@H]([NH2+]Cc1cccs1)CC2 ZINC000069952124 180113848 /nfs/dbraw/zinc/11/38/48/180113848.db2.gz VTWZLESNQIKUMQ-SNVBAGLBSA-N 1 0 248.355 1.753 50 0 BDAARO Cc1ncccc1NC(=O)[C@@H]([NH3+])CC(C)C ZINC000085727772 180224098 /nfs/dbraw/zinc/22/40/98/180224098.db2.gz CTXNDBVRBSSDES-JTQLQIEISA-N 1 0 221.304 1.702 50 0 BDAARO c1nc(CN2CCCCC2)c2n1CCC[NH2+]C2 ZINC000601013420 350329718 /nfs/dbraw/zinc/32/97/18/350329718.db2.gz XSMYCYIBPDBEEF-UHFFFAOYSA-N 1 0 234.347 1.362 50 0 BDAARO Cc1nn(C)c2ncc(C[NH2+][C@@H]3C[C@H]3C)cc12 ZINC000105436928 180364829 /nfs/dbraw/zinc/36/48/29/180364829.db2.gz DHSVIWYUJZLACA-PRHODGIISA-N 1 0 230.315 1.775 50 0 BDAARO Cc1noc(C)c1CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095512614 180471232 /nfs/dbraw/zinc/47/12/32/180471232.db2.gz QZLFSCFRRSVEPE-MNOVXSKESA-N 1 0 249.314 1.144 50 0 BDAARO O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@H]1CCCC[N@@H+]1C3 ZINC000034773531 351269671 /nfs/dbraw/zinc/26/96/71/351269671.db2.gz JYIJIIVLEOETIQ-IGQOVBAYSA-N 1 0 248.370 1.872 50 0 BDAARO Clc1ncc(CN2CCC[NH2+]CC2)s1 ZINC000022456909 180602048 /nfs/dbraw/zinc/60/20/48/180602048.db2.gz RQLRTIJRLVNHQH-UHFFFAOYSA-N 1 0 231.752 1.592 50 0 BDAARO C[N@H+](C[C@@H]1CCOC1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000252734813 538101447 /nfs/dbraw/zinc/10/14/47/538101447.db2.gz DVFSJXIKNLOIDF-NILFDRSVSA-N 1 0 247.338 1.613 50 0 BDAARO Fc1cccc(F)c1CO[C@@H]1CC[NH2+]C1 ZINC000042782986 181000124 /nfs/dbraw/zinc/00/01/24/181000124.db2.gz MYNOXVGYHVAUIP-MRVPVSSYSA-N 1 0 213.227 1.843 50 0 BDAARO Fc1ccccc1COC[C@@H]1CC[NH2+]C1 ZINC000042771794 181013515 /nfs/dbraw/zinc/01/35/15/181013515.db2.gz FHSZKKHBMHSGKY-SNVBAGLBSA-N 1 0 209.264 1.952 50 0 BDAARO Cc1ccc2c(c1)[C@@H]([NH2+]CCOCCO)[C@@H](C)C2 ZINC000097233854 188545060 /nfs/dbraw/zinc/54/50/60/188545060.db2.gz VSJIXJMPRNSRRS-WFASDCNBSA-N 1 0 249.354 1.827 50 0 BDAARO NC(=[NH2+])NCCOc1ccc2ccccc2c1 ZINC000031982518 181189871 /nfs/dbraw/zinc/18/98/71/181189871.db2.gz NXKXIGPZLVLLLH-UHFFFAOYSA-N 1 0 229.283 1.702 50 0 BDAARO NC(=[NH2+])Cc1ccccc1Br ZINC000019430423 181188039 /nfs/dbraw/zinc/18/80/39/181188039.db2.gz UDDOCMSUVGCAEM-UHFFFAOYSA-N 1 0 213.078 1.928 50 0 BDAARO NC(=[NH2+])SCc1cn2ccccc2n1 ZINC000004032123 181192792 /nfs/dbraw/zinc/19/27/92/181192792.db2.gz DGQVXHAWNLXTKQ-UHFFFAOYSA-N 1 0 206.274 1.461 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=S)NC(C)C ZINC000035082190 355798223 /nfs/dbraw/zinc/79/82/23/355798223.db2.gz GSZOSBINJZBPNT-JTQLQIEISA-N 1 0 229.393 1.343 50 0 BDAARO CC1(C)CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC000087770144 355845075 /nfs/dbraw/zinc/84/50/75/355845075.db2.gz YHXJTODEJYFXII-JTQLQIEISA-N 1 0 210.321 1.433 50 0 BDAARO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(O)c1 ZINC000092589040 181246229 /nfs/dbraw/zinc/24/62/29/181246229.db2.gz GECBSAXKPHLETA-GFCCVEGCSA-N 1 0 248.326 1.622 50 0 BDAARO NC(=O)C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000368575690 181246512 /nfs/dbraw/zinc/24/65/12/181246512.db2.gz JJPJNXPGCHVWLG-LLVKDONJSA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000097113847 181267806 /nfs/dbraw/zinc/26/78/06/181267806.db2.gz WSHSBIGTBPXKGQ-OLZOCXBDSA-N 1 0 232.327 1.820 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000006667565 181269222 /nfs/dbraw/zinc/26/92/22/181269222.db2.gz QKDBCVUPRORMPD-GFCCVEGCSA-N 1 0 218.300 1.384 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000000217833 181269564 /nfs/dbraw/zinc/26/95/64/181269564.db2.gz UFXUHZGVNYRFQP-CQSZACIVSA-N 1 0 246.354 1.817 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000000217797 181269744 /nfs/dbraw/zinc/26/97/44/181269744.db2.gz JNGFKCAUKGFJLP-LLVKDONJSA-N 1 0 236.290 1.523 50 0 BDAARO NC(=O)[C@]1(CCCc2ccncc2)CCC[NH2+]C1 ZINC000072344224 181285255 /nfs/dbraw/zinc/28/52/55/181285255.db2.gz HEPWOJPPUYLGHO-CQSZACIVSA-N 1 0 247.342 1.259 50 0 BDAARO C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCS1 ZINC000084715149 538534729 /nfs/dbraw/zinc/53/47/29/538534729.db2.gz SVNIZAXXIVWBRQ-SNVBAGLBSA-N 1 0 242.388 1.435 50 0 BDAARO Cc1cc([C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)[nH]n1 ZINC000089599035 538582254 /nfs/dbraw/zinc/58/22/54/538582254.db2.gz SGJPJTTUMCQXNR-STQMWFEESA-N 1 0 249.358 1.934 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+][C@@H]2CCOC2)C1 ZINC000095992490 538613715 /nfs/dbraw/zinc/61/37/15/538613715.db2.gz ISXRRZWMZDCOAD-YRGRVCCFSA-N 1 0 241.375 1.942 50 0 BDAARO [NH3+]CC1(n2cc(Br)cn2)CC1 ZINC000220232464 538684115 /nfs/dbraw/zinc/68/41/15/538684115.db2.gz KQNXXBFZBCWVGN-UHFFFAOYSA-N 1 0 216.082 1.093 50 0 BDAARO NC(=O)c1ccc(CC2CC[NH2+]CC2)cc1 ZINC000085220990 181294774 /nfs/dbraw/zinc/29/47/74/181294774.db2.gz OIYNIIJKRNGHJM-UHFFFAOYSA-N 1 0 218.300 1.328 50 0 BDAARO OC[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000089598010 360030356 /nfs/dbraw/zinc/03/03/56/360030356.db2.gz VRQHIUTVTHDWHE-ONGXEEELSA-N 1 0 215.362 1.633 50 0 BDAARO CCOCC(=O)N1CCN(C)Cc2ccccc21 ZINC000089986631 360053162 /nfs/dbraw/zinc/05/31/62/360053162.db2.gz WCIJJQGBDMHGKL-UHFFFAOYSA-N 1 0 248.326 1.502 50 0 BDAARO CC(C)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000095949739 360341777 /nfs/dbraw/zinc/34/17/77/360341777.db2.gz JIYOJCBRSIGBBY-UHFFFAOYSA-N 1 0 227.352 1.378 50 0 BDAARO C[C@@H](CNC(=O)c1cccnc1)[NH+]1CCCC1 ZINC000036077094 360564271 /nfs/dbraw/zinc/56/42/71/360564271.db2.gz WSEQROPRIXPTAS-NSHDSACASA-N 1 0 233.315 1.296 50 0 BDAARO NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000034522821 181318666 /nfs/dbraw/zinc/31/86/66/181318666.db2.gz XAKQWJCBJYLSBD-UHFFFAOYSA-N 1 0 249.383 1.484 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]CC[S@](C)=O)C[C@@H]1C ZINC000170081872 361388203 /nfs/dbraw/zinc/38/82/03/361388203.db2.gz HLOOXACEJIAOHT-ZHPDPMBESA-N 1 0 217.378 1.779 50 0 BDAARO CCN1CCC[N@H+](CCC[C@@H](C)O)CC1 ZINC000170089662 361390929 /nfs/dbraw/zinc/39/09/29/361390929.db2.gz FCFWWGPHKKCXDP-GFCCVEGCSA-N 1 0 214.353 1.175 50 0 BDAARO [NH3+]C1(c2ccc(Br)cn2)CC1 ZINC000083298046 181333482 /nfs/dbraw/zinc/33/34/82/181333482.db2.gz GCXOCGMUISIQHN-UHFFFAOYSA-N 1 0 213.078 1.792 50 0 BDAARO [NH3+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000002511733 181343510 /nfs/dbraw/zinc/34/35/10/181343510.db2.gz YMJRDZSVSJUACX-UHFFFAOYSA-N 1 0 204.273 1.250 50 0 BDAARO CC(C)[N@H+](CCOc1ccccc1)CC(N)=O ZINC000007443052 361710312 /nfs/dbraw/zinc/71/03/12/361710312.db2.gz MGOCBHIAEJUQPD-UHFFFAOYSA-N 1 0 236.315 1.261 50 0 BDAARO [NH3+]CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033496173 181350170 /nfs/dbraw/zinc/35/01/70/181350170.db2.gz BAGVEXJQTGNSES-UHFFFAOYSA-N 1 0 208.305 1.030 50 0 BDAARO CCC1CCC([NH3+])(CNC(=O)NC(C)C)CC1 ZINC000725255166 541332309 /nfs/dbraw/zinc/33/23/09/541332309.db2.gz UQTZXAMEEJYQFW-UHFFFAOYSA-N 1 0 241.379 1.992 50 0 BDAARO [NH3+]CCCCCN1C(=O)c2ccccc2C1=O ZINC000001610730 181375481 /nfs/dbraw/zinc/37/54/81/181375481.db2.gz FLXWHJYJBOIETQ-UHFFFAOYSA-N 1 0 232.283 1.412 50 0 BDAARO [NH3+]CCCc1nc(-c2ccccc2)no1 ZINC000020268710 181387214 /nfs/dbraw/zinc/38/72/14/181387214.db2.gz BTDXBTKBFYIKNP-UHFFFAOYSA-N 1 0 203.245 1.628 50 0 BDAARO [NH3+]CCCc1nc(-c2cccs2)no1 ZINC000020268706 181387591 /nfs/dbraw/zinc/38/75/91/181387591.db2.gz ZTMANXGGIVMZJC-UHFFFAOYSA-N 1 0 209.274 1.689 50 0 BDAARO [NH3+]CCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000020224002 181395398 /nfs/dbraw/zinc/39/53/98/181395398.db2.gz BVSYYNFOBNEAHX-UHFFFAOYSA-N 1 0 233.098 1.682 50 0 BDAARO [NH3+]C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000084374530 181423673 /nfs/dbraw/zinc/42/36/73/181423673.db2.gz NKEMCDXOGFYLCQ-MRVPVSSYSA-N 1 0 203.188 1.280 50 0 BDAARO COC(=O)[C@]1(C)CCN1Cc1ccccc1 ZINC000168652735 368397074 /nfs/dbraw/zinc/39/70/74/368397074.db2.gz QGWMCHHETIEPNT-ZDUSSCGKSA-N 1 0 219.284 1.824 50 0 BDAARO CCc1c(C)n(O)c2ccccc2[n+]1=O ZINC000136467942 368389738 /nfs/dbraw/zinc/38/97/38/368389738.db2.gz XRPRXDWDPJYZKW-UHFFFAOYSA-N 1 0 205.237 1.664 50 0 BDAARO COc1cc(N2CC[C@@H]([NH3+])[C@@H](F)C2)ccc1N ZINC000114003458 368933934 /nfs/dbraw/zinc/93/39/34/368933934.db2.gz CVDXHDWVHRKADF-VHSXEESVSA-N 1 0 239.294 1.153 50 0 BDAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)Cn1cccc1 ZINC000584887381 369036101 /nfs/dbraw/zinc/03/61/01/369036101.db2.gz ZBOAFKQMVVDOGU-CYBMUJFWSA-N 1 0 249.358 1.431 50 0 BDAARO [NH3+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000002454808 181448684 /nfs/dbraw/zinc/44/86/84/181448684.db2.gz WCTVXSRNGUMJKC-QMMMGPOBSA-N 1 0 201.653 1.038 50 0 BDAARO [NH3+]C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000034973281 181448954 /nfs/dbraw/zinc/44/89/54/181448954.db2.gz WBNXYSMSAOEZIF-QMMMGPOBSA-N 1 0 235.205 1.404 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC000079065550 371179553 /nfs/dbraw/zinc/17/95/53/371179553.db2.gz FQVWMFCOERMUCB-LLVKDONJSA-N 1 0 235.331 1.843 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000070392876 181578650 /nfs/dbraw/zinc/57/86/50/181578650.db2.gz AJWRAPQZIRBHQJ-ZYHUDNBSSA-N 1 0 246.310 1.112 50 0 BDAARO C[C@@H]1CN(c2ccc(Cl)nc2)C[C@H](C)[NH2+]1 ZINC000095836916 371355807 /nfs/dbraw/zinc/35/58/07/371355807.db2.gz HMGIKTJUTOBGAG-DTORHVGOSA-N 1 0 225.723 1.922 50 0 BDAARO CCC[NH2+]C[C@H]1COc2ccccc2C1=O ZINC000096026753 371381545 /nfs/dbraw/zinc/38/15/45/371381545.db2.gz UDTHCYGPHIDEAX-JTQLQIEISA-N 1 0 219.284 1.878 50 0 BDAARO CCOC(=O)NCCCC[NH2+]C(C)(C)C ZINC000096027319 371382613 /nfs/dbraw/zinc/38/26/13/371382613.db2.gz CTBCQXKNTQGKQJ-UHFFFAOYSA-N 1 0 216.325 1.901 50 0 BDAARO C[C@@H](Cc1ccccc1)[NH2+]CCN1CCOCC1 ZINC000022463079 371544036 /nfs/dbraw/zinc/54/40/36/371544036.db2.gz ISEKMORYCCULAL-AWEZNQCLSA-N 1 0 248.370 1.539 50 0 in-man BDAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C\c1ccccc1F ZINC000606441964 372103622 /nfs/dbraw/zinc/10/36/22/372103622.db2.gz HGOAICLRUYUWHT-QDZRJHCZSA-N 1 0 248.301 1.789 50 0 BDAARO O=C(CCc1ccsc1)N[C@H]1CCC[NH2+]C1 ZINC000195542721 181937854 /nfs/dbraw/zinc/93/78/54/181937854.db2.gz DATAXEKJGPBYJM-NSHDSACASA-N 1 0 238.356 1.549 50 0 BDAARO O=C(Cc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000021951778 182045309 /nfs/dbraw/zinc/04/53/09/182045309.db2.gz YUVORACMRKRFNM-UHFFFAOYSA-N 1 0 238.718 1.314 50 0 BDAARO O=C(CN1CCC[C@@H](O)C1)Nc1ccccc1 ZINC000039490721 372985830 /nfs/dbraw/zinc/98/58/30/372985830.db2.gz NFEGPUFXUXDOSM-GFCCVEGCSA-N 1 0 234.299 1.082 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC1 ZINC000040025514 373090928 /nfs/dbraw/zinc/09/09/28/373090928.db2.gz JTVJSYMCSVCWGL-LLVKDONJSA-N 1 0 210.321 1.387 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC1 ZINC000040025516 373091438 /nfs/dbraw/zinc/09/14/38/373091438.db2.gz JTVJSYMCSVCWGL-NSHDSACASA-N 1 0 210.321 1.387 50 0 BDAARO Cc1ccc(C)c(CC(=O)NCC[NH2+]C2CC2)c1 ZINC000054265366 205469762 /nfs/dbraw/zinc/46/97/62/205469762.db2.gz OUXYJQIGGDVGNW-UHFFFAOYSA-N 1 0 246.354 1.714 50 0 BDAARO N[C@@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O ZINC000040449803 373272916 /nfs/dbraw/zinc/27/29/16/373272916.db2.gz CFBVGSWSOJBYGC-ZYHUDNBSSA-N 1 0 239.702 1.608 50 0 in-vitro BDAARO O=C(NC1CC1)C1CC[NH+](CC2CCC2)CC1 ZINC000095404837 182094264 /nfs/dbraw/zinc/09/42/64/182094264.db2.gz GFRDGNNXFGFKMA-UHFFFAOYSA-N 1 0 236.359 1.777 50 0 BDAARO CC[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000040488084 373313553 /nfs/dbraw/zinc/31/35/53/373313553.db2.gz NYDVHDSMUUGSIO-GHMZBOCLSA-N 1 0 212.337 1.633 50 0 BDAARO O=C(NC1CCCCC1)OC[C@@H]1CCC[NH2+]1 ZINC000086229962 182112489 /nfs/dbraw/zinc/11/24/89/182112489.db2.gz MJTQAKWQSBCIFP-NSHDSACASA-N 1 0 226.320 1.797 50 0 BDAARO O=C(NCC1CC[NH2+]CC1)Nc1nccs1 ZINC000035287432 182148346 /nfs/dbraw/zinc/14/83/46/182148346.db2.gz RHPXWMGQWSNCDG-UHFFFAOYSA-N 1 0 240.332 1.264 50 0 BDAARO O=C(NC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019263590 182223615 /nfs/dbraw/zinc/22/36/15/182223615.db2.gz CQDZPECTECONTE-LBPRGKRZSA-N 1 0 218.300 1.559 50 0 BDAARO O=C(NC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000019390170 182237396 /nfs/dbraw/zinc/23/73/96/182237396.db2.gz KUSRTXAMFSKVAK-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C ZINC000041975027 374232219 /nfs/dbraw/zinc/23/22/19/374232219.db2.gz OVNBGAHZCQBPPN-JTQLQIEISA-N 1 0 212.337 1.633 50 0 BDAARO Cn1c(C[NH3+])nnc1SCC[C@H]1CC1(F)F ZINC000426420115 206046548 /nfs/dbraw/zinc/04/65/48/206046548.db2.gz NXNFVVYHWQLRDV-LURJTMIESA-N 1 0 248.302 1.411 50 0 BDAARO Cn1c(C[NH3+])nnc1SCC[C@@H]1CC1(F)F ZINC000426420116 206049308 /nfs/dbraw/zinc/04/93/08/206049308.db2.gz NXNFVVYHWQLRDV-ZCFIWIBFSA-N 1 0 248.302 1.411 50 0 BDAARO O=C(Nc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000019811185 182353125 /nfs/dbraw/zinc/35/31/25/182353125.db2.gz NEMZGGVOBLEPTO-UHFFFAOYSA-N 1 0 239.706 1.777 50 0 BDAARO O=C(Nc1ccncc1)C1CC[NH2+]CC1 ZINC000019409913 182386307 /nfs/dbraw/zinc/38/63/07/182386307.db2.gz RNGJIEPQECNRLG-UHFFFAOYSA-N 1 0 205.261 1.020 50 0 BDAARO O=C(Nc1nc2ccccc2s1)[C@H]1CCC[NH2+]1 ZINC000019518553 182398154 /nfs/dbraw/zinc/39/81/54/182398154.db2.gz BYZCRWPMTZKDIH-SECBINFHSA-N 1 0 247.323 1.987 50 0 BDAARO O=C(OC[C@@H]1CC[NH2+]C1)C(Cl)(Cl)Cl ZINC000042768682 182603007 /nfs/dbraw/zinc/60/30/07/182603007.db2.gz VOJXZUBHLHSDLZ-RXMQYKEDSA-N 1 0 246.521 1.509 50 0 BDAARO O=c1c2cccc(Cl)c2ncn1[C@@H]1CC[NH2+]C1 ZINC000043040678 182987158 /nfs/dbraw/zinc/98/71/58/182987158.db2.gz GFNLSHWJLWXVRK-MRVPVSSYSA-N 1 0 249.701 1.584 50 0 BDAARO OC1(Cc2ccccc2F)CC[NH2+]CC1 ZINC000020439031 183021788 /nfs/dbraw/zinc/02/17/88/183021788.db2.gz VWPZTFXENCTZMR-UHFFFAOYSA-N 1 0 209.264 1.483 50 0 BDAARO OCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000047958757 183040761 /nfs/dbraw/zinc/04/07/61/183040761.db2.gz UQIJLYGVLUEOGV-LBPRGKRZSA-N 1 0 213.321 1.260 50 0 BDAARO OCCC[NH2+]Cc1cccc(Br)c1 ZINC000002845997 183058193 /nfs/dbraw/zinc/05/81/93/183058193.db2.gz IREOYKARTHTUIO-UHFFFAOYSA-N 1 0 244.132 1.921 50 0 BDAARO OCC[NH+]1CCC(c2ccccn2)CC1 ZINC000072381314 183072696 /nfs/dbraw/zinc/07/26/96/183072696.db2.gz SYYHLELVJFAOGE-UHFFFAOYSA-N 1 0 206.289 1.253 50 0 BDAARO OCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000035287221 183079217 /nfs/dbraw/zinc/07/92/17/183079217.db2.gz XCGXXBXENAKHKJ-UHFFFAOYSA-N 1 0 229.283 1.226 50 0 BDAARO OCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cn1 ZINC000170088135 183093316 /nfs/dbraw/zinc/09/33/16/183093316.db2.gz FGBTZOZSGKRESI-ZDUSSCGKSA-N 1 0 238.306 1.958 50 0 BDAARO OC[C@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000006535924 183143722 /nfs/dbraw/zinc/14/37/22/183143722.db2.gz FDPXMOAOGJCTDU-YPMHNXCESA-N 1 0 221.300 1.007 50 0 BDAARO OC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000040434836 183150171 /nfs/dbraw/zinc/15/01/71/183150171.db2.gz IISDRBUMWAGCNB-NSHDSACASA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@H]1C[NH2+]C[C@@H]1c1cc(F)ccc1F ZINC000098089095 183155932 /nfs/dbraw/zinc/15/59/32/183155932.db2.gz VWUALDZGFPMIST-XCBNKYQSSA-N 1 0 213.227 1.260 50 0 BDAARO CCCN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881450 169058452 /nfs/dbraw/zinc/05/84/52/169058452.db2.gz DVXZJYCSMRDNPE-ZDUSSCGKSA-N 1 0 220.316 1.729 50 0 BDAARO O[C@@H](C[NH+]1CCCCCC1)C(F)(F)F ZINC000004627504 183176463 /nfs/dbraw/zinc/17/64/63/183176463.db2.gz KBCJDNINKHXTSD-QMMMGPOBSA-N 1 0 211.227 1.786 50 0 BDAARO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC)C1 ZINC000096431344 169078445 /nfs/dbraw/zinc/07/84/45/169078445.db2.gz UIBLEHXXRXSISS-NSHDSACASA-N 1 0 227.352 1.380 50 0 BDAARO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000306802968 183204471 /nfs/dbraw/zinc/20/44/71/183204471.db2.gz UYDRGOGDUQEJBU-GHMZBOCLSA-N 1 0 211.692 1.953 50 0 BDAARO O[C@H](C[C@H]1COCC[NH2+]1)c1cccs1 ZINC000074941927 183227785 /nfs/dbraw/zinc/22/77/85/183227785.db2.gz VVTOKYYKQAEMMG-DTWKUNHWSA-N 1 0 213.302 1.160 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@H]1C[C@H](OCC)C1(C)C ZINC000096419651 169110890 /nfs/dbraw/zinc/11/08/90/169110890.db2.gz JLFQTWKWPAQSQK-QWRGUYRKSA-N 1 0 242.363 1.387 50 0 BDAARO O[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000052172715 183232312 /nfs/dbraw/zinc/23/23/12/183232312.db2.gz ONMYUCNDOMJZAC-NEPJUHHUSA-N 1 0 213.321 1.306 50 0 BDAARO CCC[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC000016604023 169187894 /nfs/dbraw/zinc/18/78/94/169187894.db2.gz CKSKTRGPHVCKNC-UHFFFAOYSA-N 1 0 247.342 1.686 50 0 BDAARO CCC[NH+]1CCN(C(=O)CC(F)(F)F)CC1 ZINC000044600323 169201367 /nfs/dbraw/zinc/20/13/67/169201367.db2.gz JHIXMKVEUHOXBH-UHFFFAOYSA-N 1 0 238.253 1.493 50 0 BDAARO CCCNC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000058018051 169222034 /nfs/dbraw/zinc/22/20/34/169222034.db2.gz IUNUTYZIPHKMRS-QWRGUYRKSA-N 1 0 212.337 1.491 50 0 BDAARO c1cc(CC[NH+]2CCC3(CC2)OCCO3)ccn1 ZINC000073605173 183336319 /nfs/dbraw/zinc/33/63/19/183336319.db2.gz VDRGBTUTNISGGN-UHFFFAOYSA-N 1 0 248.326 1.463 50 0 BDAARO c1cc2c(c(-c3cnccn3)c1)CC[NH2+]C2 ZINC000071747121 183364825 /nfs/dbraw/zinc/36/48/25/183364825.db2.gz SUNLNBWGJXETDV-UHFFFAOYSA-N 1 0 211.268 1.789 50 0 BDAARO CCCNC(=O)OC[C@H]1CCCC[NH2+]1 ZINC000086229841 169241268 /nfs/dbraw/zinc/24/12/68/169241268.db2.gz BMDXNVIYLLCJLN-SECBINFHSA-N 1 0 200.282 1.265 50 0 BDAARO c1c(-c2ccccc2)nnn1C1C[NH2+]C1 ZINC000095829284 183380496 /nfs/dbraw/zinc/38/04/96/183380496.db2.gz LAIWQUVHYDPRTI-UHFFFAOYSA-N 1 0 200.245 1.089 50 0 BDAARO CCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210792 169248579 /nfs/dbraw/zinc/24/85/79/169248579.db2.gz GURZATZWEMIWEC-LLVKDONJSA-N 1 0 206.289 1.083 50 0 BDAARO c1cnn(CC[NH2+]CCCOc2ccccc2)c1 ZINC000052092247 183419050 /nfs/dbraw/zinc/41/90/50/183419050.db2.gz CIQSPGBXQUBKEB-UHFFFAOYSA-N 1 0 245.326 1.942 50 0 BDAARO c1ccc2c(c1)CCOC21CC[NH2+]CC1 ZINC000034496192 183444712 /nfs/dbraw/zinc/44/47/12/183444712.db2.gz SKFZSJIOAVSXCU-UHFFFAOYSA-N 1 0 203.285 1.838 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@H](F)C1 ZINC000095629882 166651808 /nfs/dbraw/zinc/65/18/08/166651808.db2.gz PWWDRFMQLZQJAY-DTWKUNHWSA-N 1 0 232.299 1.540 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccco1 ZINC000035738302 383871671 /nfs/dbraw/zinc/87/16/71/383871671.db2.gz QVDMUXFZYUXPLN-UWVGGRQHSA-N 1 0 224.304 1.830 50 0 BDAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccco1 ZINC000035738305 383874294 /nfs/dbraw/zinc/87/42/94/383874294.db2.gz QVDMUXFZYUXPLN-NXEZZACHSA-N 1 0 224.304 1.830 50 0 BDAARO Cc1ccc(C)c(C(=O)NCC[NH+](C)C)c1 ZINC000000514735 383875065 /nfs/dbraw/zinc/87/50/65/383875065.db2.gz YABQBRBEHRIXFG-UHFFFAOYSA-N 1 0 220.316 1.595 50 0 BDAARO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ncnn1C ZINC000188095345 383917372 /nfs/dbraw/zinc/91/73/72/383917372.db2.gz INDKRQOSAZPUPV-JTQLQIEISA-N 1 0 248.305 1.675 50 0 BDAARO C[NH+](C)CCCN1C[C@@H](c2ccccc2)CC1=O ZINC000000189939 383888190 /nfs/dbraw/zinc/88/81/90/383888190.db2.gz ILGGUQKGDFTTNF-AWEZNQCLSA-N 1 0 246.354 1.954 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000050246310 383986538 /nfs/dbraw/zinc/98/65/38/383986538.db2.gz NMAYFYRCYMHFPD-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000050245976 383986545 /nfs/dbraw/zinc/98/65/45/383986545.db2.gz PWESOBJONXACJJ-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO Cc1ccc(OCC[NH2+][C@H](C)CO)c(C)c1 ZINC000002839036 383990628 /nfs/dbraw/zinc/99/06/28/383990628.db2.gz OBZWTZGVEZUHGO-GFCCVEGCSA-N 1 0 223.316 1.653 50 0 BDAARO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCOC2)n1 ZINC000112716732 383946611 /nfs/dbraw/zinc/94/66/11/383946611.db2.gz AQTOJZLWMSLZDP-LLVKDONJSA-N 1 0 236.315 1.612 50 0 BDAARO Cn1nnnc1SCC[NH2+]Cc1ccccc1 ZINC000002181796 383957106 /nfs/dbraw/zinc/95/71/06/383957106.db2.gz WNTLZJUGZPHRBF-UHFFFAOYSA-N 1 0 249.343 1.092 50 0 BDAARO CN1C[C@H](CC[N@H+](C)Cc2ccccc2)OC1=O ZINC000071773740 384001051 /nfs/dbraw/zinc/00/10/51/384001051.db2.gz QRWNPOPBULVTFS-ZDUSSCGKSA-N 1 0 248.326 1.959 50 0 BDAARO C[NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000037240668 383961898 /nfs/dbraw/zinc/96/18/98/383961898.db2.gz IMEMNAWEPMLHLD-SNVBAGLBSA-N 1 0 236.315 1.502 50 0 BDAARO CC[NH+](CC)CCn1ccnc1-c1nc[nH]c1C ZINC000067948077 383963078 /nfs/dbraw/zinc/96/30/78/383963078.db2.gz OHULMKFZOQDVCW-UHFFFAOYSA-N 1 0 247.346 1.923 50 0 BDAARO [NH3+]CCc1nncn1-c1ccccc1Cl ZINC000067817695 383968377 /nfs/dbraw/zinc/96/83/77/383968377.db2.gz LOHPDWFYNVHROZ-UHFFFAOYSA-N 1 0 222.679 1.422 50 0 BDAARO CC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000002518823 383969282 /nfs/dbraw/zinc/96/92/82/383969282.db2.gz BYTDCDSUYXMVTM-UHFFFAOYSA-N 1 0 222.288 1.585 50 0 BDAARO [NH3+]C[C@H](O)c1ccccc1Br ZINC000002553998 383973019 /nfs/dbraw/zinc/97/30/19/383973019.db2.gz LNRDJBNFUFLKON-QMMMGPOBSA-N 1 0 216.078 1.441 50 0 BDAARO Cc1[nH]ccc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000089536752 383976236 /nfs/dbraw/zinc/97/62/36/383976236.db2.gz SAGOADXKHVCTJJ-NEPJUHHUSA-N 1 0 247.342 1.632 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000069725157 384059150 /nfs/dbraw/zinc/05/91/50/384059150.db2.gz BVXLJWNAGBHENA-NXEZZACHSA-N 1 0 222.288 1.479 50 0 BDAARO C[NH+]1CCC(OC(=O)c2ccco2)CC1 ZINC000004476139 384060757 /nfs/dbraw/zinc/06/07/57/384060757.db2.gz SXMQVAJAGRWRKS-UHFFFAOYSA-N 1 0 209.245 1.531 50 0 BDAARO COCCn1c(N)[nH+]cc1-c1ccccc1 ZINC000004385516 384062089 /nfs/dbraw/zinc/06/20/89/384062089.db2.gz FDYBUMWSPGPHLS-UHFFFAOYSA-N 1 0 217.272 1.779 50 0 BDAARO [NH3+]C[C@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000069978323 384070205 /nfs/dbraw/zinc/07/02/05/384070205.db2.gz UHZZZORGKUJRQY-SNVBAGLBSA-N 1 0 218.256 1.073 50 0 BDAARO C(NC1=[NH+]CCN1)C12CC3CC(CC(C3)C1)C2 ZINC000004612945 384071862 /nfs/dbraw/zinc/07/18/62/384071862.db2.gz GFVGWPGSHZVAEW-UHFFFAOYSA-N 1 0 233.359 1.752 50 0 BDAARO FC1(F)CN[C@H](C[NH+]2CCCCC2)C1 ZINC000257188443 384073921 /nfs/dbraw/zinc/07/39/21/384073921.db2.gz FKJRCRSYFGVGPZ-VIFPVBQESA-N 1 0 204.264 1.470 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000255311676 384075631 /nfs/dbraw/zinc/07/56/31/384075631.db2.gz UXYUGCXCHRZUAG-VSQXVHSFSA-N 1 0 249.289 1.184 50 0 BDAARO CCO[C@@H](C)c1nc(C[NH2+]C)cs1 ZINC000070649339 384127251 /nfs/dbraw/zinc/12/72/51/384127251.db2.gz UINDADFKDFDUOK-ZETCQYMHSA-N 1 0 200.307 1.960 50 0 BDAARO CC(C)c1noc(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000091481596 384129055 /nfs/dbraw/zinc/12/90/55/384129055.db2.gz BXPDKYQZGRIWKQ-SNVBAGLBSA-N 1 0 238.335 1.945 50 0 BDAARO O=C1OC[C@@H](c2ccccc2)N1C1CC[NH2+]CC1 ZINC000040448221 384152638 /nfs/dbraw/zinc/15/26/38/384152638.db2.gz ONASBZCKEKLGPB-ZDUSSCGKSA-N 1 0 246.310 1.932 50 0 BDAARO Cc1[nH+]c(N)nc(NCCCc2ncc[nH]2)c1C ZINC000092045493 384158093 /nfs/dbraw/zinc/15/80/93/384158093.db2.gz 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1.555 50 0 BDAARO CC(C)(O)C[NH2+][C@H](CO)c1ccsc1 ZINC000330363801 384366189 /nfs/dbraw/zinc/36/61/89/384366189.db2.gz SYQINLKWSWSNKO-SECBINFHSA-N 1 0 215.318 1.142 50 0 BDAARO C[C@@H](O)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000095419033 384374646 /nfs/dbraw/zinc/37/46/46/384374646.db2.gz PJMILUCFVQNPJP-ZWNOBZJWSA-N 1 0 237.368 1.987 50 0 BDAARO CC[NH+](CC)CCn1ccc2ncccc2c1=O ZINC000095386448 384371043 /nfs/dbraw/zinc/37/10/43/384371043.db2.gz ZGULUCZOBMYKOX-UHFFFAOYSA-N 1 0 245.326 1.738 50 0 BDAARO C[C@H]([NH3+])CNCc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000095377034 384372168 /nfs/dbraw/zinc/37/21/68/384372168.db2.gz PPVJIGLRZDYJKC-QMMMGPOBSA-N 1 0 249.289 1.104 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000012648915 384328703 /nfs/dbraw/zinc/32/87/03/384328703.db2.gz NQGRCKNDDGCZPV-GFCCVEGCSA-N 1 0 234.299 1.746 50 0 BDAARO [NH3+][C@H]1CCc2nnc(Cc3ccccc3)n2C1 ZINC000095829552 384399857 /nfs/dbraw/zinc/39/98/57/384399857.db2.gz ZJFKOPCGVFGAAF-NSHDSACASA-N 1 0 228.299 1.142 50 0 BDAARO c1csc(C[NH2+]CCCN2CCOCC2)c1 ZINC000095862859 384402158 /nfs/dbraw/zinc/40/21/58/384402158.db2.gz JIEIYNBRXBCILQ-UHFFFAOYSA-N 1 0 240.372 1.560 50 0 BDAARO [NH3+][C@@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000095949427 384418967 /nfs/dbraw/zinc/41/89/67/384418967.db2.gz WMEBWSUALAMHAF-SNVBAGLBSA-N 1 0 216.244 1.048 50 0 BDAARO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccnn1C ZINC000097139293 384379450 /nfs/dbraw/zinc/37/94/50/384379450.db2.gz OUQWWFLXFIRWGA-CYBMUJFWSA-N 1 0 236.363 1.192 50 0 BDAARO CC[C@H]([NH2+]Cc1nnc(C)s1)[C@H]1CCOC1 ZINC000134721270 384386930 /nfs/dbraw/zinc/38/69/30/384386930.db2.gz QCZKFHAUDZZMIH-UWVGGRQHSA-N 1 0 241.360 1.751 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C2C[NH3+] ZINC000095707380 384390657 /nfs/dbraw/zinc/39/06/57/384390657.db2.gz PEOLPCXJPIAKQS-ULKQDVFKSA-N 1 0 226.320 1.448 50 0 BDAARO [NH3+]C[C@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000238038279 384469308 /nfs/dbraw/zinc/46/93/08/384469308.db2.gz FVJRGVZTHWKIQJ-CHWSQXEVSA-N 1 0 247.342 1.026 50 0 BDAARO c1cncc(-c2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000019089618 384510010 /nfs/dbraw/zinc/51/00/10/384510010.db2.gz GSELZSLDFVXXLZ-SECBINFHSA-N 1 0 216.244 1.556 50 0 BDAARO C[C@H]([NH3+])C(=O)N1C[C@H](C)Oc2cc(F)ccc21 ZINC000118961126 384489728 /nfs/dbraw/zinc/48/97/28/384489728.db2.gz USYOINJIUPKDJP-YUMQZZPRSA-N 1 0 238.262 1.287 50 0 BDAARO [NH3+]Cc1cccnc1N1CCCCCC1 ZINC000019255050 384513063 /nfs/dbraw/zinc/51/30/63/384513063.db2.gz BEKHBALUOFFUTD-UHFFFAOYSA-N 1 0 205.305 1.921 50 0 BDAARO C[C@@H]([NH3+])c1ccc(N2CCCS2(=O)=O)cc1 ZINC000019420893 384521884 /nfs/dbraw/zinc/52/18/84/384521884.db2.gz ZYDYTIIIADYIDK-SECBINFHSA-N 1 0 240.328 1.246 50 0 BDAARO O=C(/C=C/c1cccs1)N1CC[NH2+]CC1 ZINC000019442388 384523113 /nfs/dbraw/zinc/52/31/13/384523113.db2.gz SLQIYDKYEFNIBT-ONEGZZNKSA-N 1 0 222.313 1.193 50 0 BDAARO C[NH+](C)CCNC(=O)[C@H]1CCc2ccccc2N1 ZINC000019517652 384527412 /nfs/dbraw/zinc/52/74/12/384527412.db2.gz IGBMADMPTFCCGH-CYBMUJFWSA-N 1 0 247.342 1.091 50 0 BDAARO Cc1ncc(C[N@@H+](C)[C@H](C)Cc2cnccn2)[nH]1 ZINC000097522548 384527926 /nfs/dbraw/zinc/52/79/26/384527926.db2.gz KVGVCBCYLZXBEV-SNVBAGLBSA-N 1 0 245.330 1.571 50 0 BDAARO CC[C@H]1C[N@H+](CC(C)(C)O)CCS1 ZINC000098015873 384528213 /nfs/dbraw/zinc/52/82/13/384528213.db2.gz BGHUEOCAUQMQQS-VIFPVBQESA-N 1 0 203.351 1.585 50 0 BDAARO FC(F)(F)c1nc(C2CC[NH2+]CC2)no1 ZINC000019686480 384532610 /nfs/dbraw/zinc/53/26/10/384532610.db2.gz VJRQCSHFPITZMX-UHFFFAOYSA-N 1 0 221.182 1.555 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000049648620 384554069 /nfs/dbraw/zinc/55/40/69/384554069.db2.gz JOWFUPCKNXLCPC-VIFPVBQESA-N 1 0 228.654 1.543 50 0 BDAARO Cc1ccc(C)c(CC(=O)NCCC[NH+](C)C)c1 ZINC000019934308 384560253 /nfs/dbraw/zinc/56/02/53/384560253.db2.gz LNOKGOYUSANNNB-UHFFFAOYSA-N 1 0 248.370 1.914 50 0 BDAARO CC(=O)NC1C[NH+](C[C@H]2C(C)=CCC[C@@H]2C)C1 ZINC000253430278 384539322 /nfs/dbraw/zinc/53/93/22/384539322.db2.gz KMAVLBBZELBFIT-FZMZJTMJSA-N 1 0 236.359 1.799 50 0 BDAARO C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cnn(C)c1 ZINC000095448852 384619976 /nfs/dbraw/zinc/61/99/76/384619976.db2.gz GQFCMFZSXRZVGF-ZYHUDNBSSA-N 1 0 249.314 1.615 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(Cl)c(N)c1 ZINC000020193621 384592135 /nfs/dbraw/zinc/59/21/35/384592135.db2.gz NYFBRISXVALGRA-UHFFFAOYSA-N 1 0 241.722 1.214 50 0 BDAARO C[NH+](C)CCCNC(=S)NC1CCCC1 ZINC000002855414 384663483 /nfs/dbraw/zinc/66/34/83/384663483.db2.gz JGIIGXORSMPSHJ-UHFFFAOYSA-N 1 0 229.393 1.345 50 0 BDAARO C[C@H]1[C@H]([NH3+])CCCN1C(=O)OC(C)(C)C ZINC000082370858 384676021 /nfs/dbraw/zinc/67/60/21/384676021.db2.gz ZGIHBYXILBKXGA-DTWKUNHWSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)C(N)=O ZINC000084499592 384725582 /nfs/dbraw/zinc/72/55/82/384725582.db2.gz CVTKIOHIGNNRSY-YUMQZZPRSA-N 1 0 210.252 1.350 50 0 BDAARO Clc1ccc(O[C@@H]2CCC[NH2+]C2)nc1 ZINC000051872869 384697288 /nfs/dbraw/zinc/69/72/88/384697288.db2.gz WLCBORVYRFBJOS-SECBINFHSA-N 1 0 212.680 1.866 50 0 BDAARO CN(Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000021949668 384708995 /nfs/dbraw/zinc/70/89/95/384708995.db2.gz UKDGSWVIHDBVMN-ZDUSSCGKSA-N 1 0 219.332 1.513 50 0 BDAARO [NH3+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000021953767 384710103 /nfs/dbraw/zinc/71/01/03/384710103.db2.gz SIONSKXCPDFBFA-GFCCVEGCSA-N 1 0 207.273 1.703 50 0 BDAARO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)C1CC1 ZINC000073501152 384780810 /nfs/dbraw/zinc/78/08/10/384780810.db2.gz VGSOWOQFMHLTSY-SKDRFNHKSA-N 1 0 218.300 1.601 50 0 BDAARO CC[NH+](CC)[C@H](CN)Cc1ccccc1 ZINC000022920571 384778754 /nfs/dbraw/zinc/77/87/54/384778754.db2.gz AIVMKJMWYKBLGW-ZDUSSCGKSA-N 1 0 206.333 1.898 50 0 BDAARO CC(=O)Nc1ccc([C@@H]2[NH2+]CCS2)cc1 ZINC000052537777 384735077 /nfs/dbraw/zinc/73/50/77/384735077.db2.gz UTUASLMFNMSSIQ-LLVKDONJSA-N 1 0 222.313 1.980 50 0 BDAARO C[C@@H]([NH3+])c1ccc(OCC(=O)NC2CC2)cc1 ZINC000022168040 384739848 /nfs/dbraw/zinc/73/98/48/384739848.db2.gz MZAOEPZAKJKWQD-SECBINFHSA-N 1 0 234.299 1.364 50 0 BDAARO [NH3+][C@H]1CCN(Cc2ccc(F)c(Cl)c2)C1=O ZINC000053157942 384767536 /nfs/dbraw/zinc/76/75/36/384767536.db2.gz WUQMYKXQOURNJF-JTQLQIEISA-N 1 0 242.681 1.539 50 0 BDAARO c1ccc2c(c1)NC[C@@H]2C[NH+]1CCOCC1 ZINC000022688075 384770766 /nfs/dbraw/zinc/77/07/66/384770766.db2.gz RGEGQAFOGMYROT-LLVKDONJSA-N 1 0 218.300 1.528 50 0 BDAARO Cc1ccc(F)c(C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000088058977 384783785 /nfs/dbraw/zinc/78/37/85/384783785.db2.gz AVUAMDISNJCGIG-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO Cc1cc(CN2CC[NH+](C(C)C)CC2)no1 ZINC000061801216 384790730 /nfs/dbraw/zinc/79/07/30/384790730.db2.gz PIBWESHLQRIILX-UHFFFAOYSA-N 1 0 223.320 1.509 50 0 BDAARO C[NH2+]Cc1cnn(-c2ccccc2)c1C ZINC000026340286 384871492 /nfs/dbraw/zinc/87/14/92/384871492.db2.gz PYMKNYBFTGMBJN-UHFFFAOYSA-N 1 0 201.273 1.900 50 0 BDAARO O=C(OCc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000055392585 384884269 /nfs/dbraw/zinc/88/42/69/384884269.db2.gz VVCLBQFBKZQOAF-LLVKDONJSA-N 1 0 205.257 1.482 50 0 BDAARO c1[nH]c2ccccc2c1C[C@@H]1COCC[NH2+]1 ZINC000026898401 384888223 /nfs/dbraw/zinc/88/82/23/384888223.db2.gz OBEIPTLFNWMGFT-LLVKDONJSA-N 1 0 216.284 1.699 50 0 BDAARO C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000084248949 384852248 /nfs/dbraw/zinc/85/22/48/384852248.db2.gz FWTHDJLHNCEJBW-VHSXEESVSA-N 1 0 228.336 1.851 50 0 BDAARO O=C(c1ccncc1)N1CC[NH+](CC2CC2)CC1 ZINC000055668717 384894088 /nfs/dbraw/zinc/89/40/88/384894088.db2.gz CNRRTJPSQWHBEM-UHFFFAOYSA-N 1 0 245.326 1.249 50 0 BDAARO c1ccc(C[C@@H]2CN(C3CC3)CC[NH2+]2)cc1 ZINC000056894920 384921998 /nfs/dbraw/zinc/92/19/98/384921998.db2.gz BSRABLAVRKDCRM-CYBMUJFWSA-N 1 0 216.328 1.665 50 0 BDAARO CCn1c(=S)[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000057218745 384930980 /nfs/dbraw/zinc/93/09/80/384930980.db2.gz DPMVMRWIEOONNX-SSDOTTSWSA-N 1 0 212.322 1.428 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH3+] ZINC000057219281 384936737 /nfs/dbraw/zinc/93/67/37/384936737.db2.gz GTBJUDHXQLLKID-IUCAKERBSA-N 1 0 214.309 1.639 50 0 BDAARO CC(C)[N@H+](C)CC(=O)NCCc1ccsc1 ZINC000058023280 384979769 /nfs/dbraw/zinc/97/97/69/384979769.db2.gz VCXHZHMRKBYOLV-UHFFFAOYSA-N 1 0 240.372 1.747 50 0 BDAARO C[C@H](C[NH3+])n1nc(-c2cccs2)ccc1=O ZINC000058034470 384980083 /nfs/dbraw/zinc/98/00/83/384980083.db2.gz ZVLROAGERVSWQM-MRVPVSSYSA-N 1 0 235.312 1.492 50 0 BDAARO COC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000070559858 384999430 /nfs/dbraw/zinc/99/94/30/384999430.db2.gz PCGANPZUXZHYLQ-OLZOCXBDSA-N 1 0 229.364 1.752 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+]CC2)cc(C)c1F ZINC000157093887 385065169 /nfs/dbraw/zinc/06/51/69/385065169.db2.gz WAOPNGKNEKTVGW-UHFFFAOYSA-N 1 0 236.290 1.488 50 0 BDAARO O=C1N(CC2CCC2)CCC[C@@]12CC[NH2+]C2 ZINC000072146299 385029241 /nfs/dbraw/zinc/02/92/41/385029241.db2.gz BUCXNTUGTPJHFZ-ZDUSSCGKSA-N 1 0 222.332 1.389 50 0 BDAARO COC[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090890934 385083487 /nfs/dbraw/zinc/08/34/87/385083487.db2.gz YFGYGTMUPJSECE-MFKMUULPSA-N 1 0 241.306 1.658 50 0 BDAARO CCc1ccccc1C[NH2+][C@](C)(CC)C(N)=O ZINC000189202592 385131545 /nfs/dbraw/zinc/13/15/45/385131545.db2.gz IPTOWXFUBBBUHF-CQSZACIVSA-N 1 0 234.343 1.993 50 0 BDAARO CC(C)[N@H+](C[C@@H](O)CO)C1CCCCC1 ZINC000002651849 385097734 /nfs/dbraw/zinc/09/77/34/385097734.db2.gz FAHMNDTXNHJQNT-GFCCVEGCSA-N 1 0 215.337 1.383 50 0 BDAARO CC(=O)N1CCC([NH2+]CCCOC(C)C)CC1 ZINC000032917399 385190458 /nfs/dbraw/zinc/19/04/58/385190458.db2.gz QJBGNPSVQUTSKJ-UHFFFAOYSA-N 1 0 242.363 1.402 50 0 BDAARO CCSC[C@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000096483383 385221829 /nfs/dbraw/zinc/22/18/29/385221829.db2.gz HWAVZVUSWVFIER-NSHDSACASA-N 1 0 244.404 1.682 50 0 BDAARO CC[C@@H](O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000096502731 385233585 /nfs/dbraw/zinc/23/35/85/385233585.db2.gz AIIIIAIJRGKZPA-VWYCJHECSA-N 1 0 201.310 1.305 50 0 BDAARO c1nncn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000065386973 385303100 /nfs/dbraw/zinc/30/31/00/385303100.db2.gz ZNUMSTKZPOBPNQ-CQSZACIVSA-N 1 0 242.326 1.800 50 0 BDAARO Cc1nccn1-c1ccc(C[NH2+][C@H](C)CO)cc1 ZINC000065396510 385306075 /nfs/dbraw/zinc/30/60/75/385306075.db2.gz SHBSKHUHIVDWQG-LLVKDONJSA-N 1 0 245.326 1.651 50 0 BDAARO O=CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000023282427 385285864 /nfs/dbraw/zinc/28/58/64/385285864.db2.gz ZYDMUBLXWGIOLD-OAHLLOKOSA-N 1 0 244.338 1.318 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000062666783 385477215 /nfs/dbraw/zinc/47/72/15/385477215.db2.gz GHFXIMGSKUPNMZ-SNVBAGLBSA-N 1 0 236.290 1.555 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)c(C)n1 ZINC000336726925 385941892 /nfs/dbraw/zinc/94/18/92/385941892.db2.gz VPOGSZGSGVBMSL-QMMMGPOBSA-N 1 0 243.257 1.619 50 0 BDAARO COC(=O)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000051854202 386032978 /nfs/dbraw/zinc/03/29/78/386032978.db2.gz QWAXOWXOTWCKTD-JTQLQIEISA-N 1 0 227.304 1.050 50 0 BDAARO c1ncnc(NCCCC[NH+]2CCCCCC2)n1 ZINC000223674940 386091009 /nfs/dbraw/zinc/09/10/09/386091009.db2.gz COELLUXLERTIST-UHFFFAOYSA-N 1 0 249.362 1.940 50 0 BDAARO CCC1(CC)CCC[N@H+](CC(N)=O)CC1 ZINC000190411865 386171953 /nfs/dbraw/zinc/17/19/53/386171953.db2.gz NAOWZBHITOMORN-UHFFFAOYSA-N 1 0 212.337 1.764 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000261850903 386182765 /nfs/dbraw/zinc/18/27/65/386182765.db2.gz OTYMYAQDQPEUAZ-YRGRVCCFSA-N 1 0 246.354 1.813 50 0 BDAARO Cc1noc(CN(CCCO)CC(C)(C)C)n1 ZINC000225551683 386202031 /nfs/dbraw/zinc/20/20/31/386202031.db2.gz DLYWQOFHCDLHEI-UHFFFAOYSA-N 1 0 241.335 1.609 50 0 BDAARO CC(C)n1cc(CN(C)C2CC[NH2+]CC2)cn1 ZINC000347050666 386204024 /nfs/dbraw/zinc/20/40/24/386204024.db2.gz QZTIDCWVOXAKIA-UHFFFAOYSA-N 1 0 236.363 1.648 50 0 BDAARO CC[C@H](C)c1cc(C(=O)N2CC[C@H]([NH3+])C2)on1 ZINC000132315861 386228730 /nfs/dbraw/zinc/22/87/30/386228730.db2.gz JIEDJTYQMLMPTB-IUCAKERBSA-N 1 0 237.303 1.361 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+]CC2)c(F)cc1F ZINC000132400427 386233650 /nfs/dbraw/zinc/23/36/50/386233650.db2.gz LKVMQCCGGYEWPI-UHFFFAOYSA-N 1 0 240.253 1.319 50 0 BDAARO FC(F)(F)c1cc2c(cn1)CC[NH2+]C2 ZINC000090557578 386315276 /nfs/dbraw/zinc/31/52/76/386315276.db2.gz PMDAYNUUCYEUDK-UHFFFAOYSA-N 1 0 202.179 1.746 50 0 BDAARO C[C@H](C(=O)N(C)C1CC([NH3+])C1)C(F)(F)F ZINC000336210465 386319267 /nfs/dbraw/zinc/31/92/67/386319267.db2.gz RRQKSVICASHSLX-GRQBKTHUSA-N 1 0 224.226 1.133 50 0 BDAARO COc1cc(F)cc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000237114775 386360299 /nfs/dbraw/zinc/36/02/99/386360299.db2.gz SMRZUEQJZDCWSH-MRVPVSSYSA-N 1 0 238.262 1.382 50 0 BDAARO CCC1(CC)[C@H]([NH2+]C[C@@H](C)O)C[C@H]1OC ZINC000095987733 386334321 /nfs/dbraw/zinc/33/43/21/386334321.db2.gz YKJRALUXLKEMFP-GMTAPVOTSA-N 1 0 215.337 1.551 50 0 BDAARO O=C1NCCCCCC[NH2+][C@H]2CCC[C@H]12 ZINC000521398692 386423778 /nfs/dbraw/zinc/42/37/78/386423778.db2.gz BMWVYXFGEQCOFA-QWRGUYRKSA-N 1 0 210.321 1.435 50 0 BDAARO C[NH2+][C@@H](C)C(=O)NCc1ccc2[nH]c(C)nc2c1 ZINC000299769990 386489799 /nfs/dbraw/zinc/48/97/99/386489799.db2.gz PZMRQBWXKXQTEN-QMMMGPOBSA-N 1 0 246.314 1.095 50 0 BDAARO [NH3+]C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000238850652 386534315 /nfs/dbraw/zinc/53/43/15/386534315.db2.gz CIMFTRHSKXRLOO-YUMQZZPRSA-N 1 0 215.297 1.014 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C[NH3+])C[C@@H]2C1 ZINC000242648899 386547722 /nfs/dbraw/zinc/54/77/22/386547722.db2.gz RJVLJEBUNGKANQ-JGPRNRPPSA-N 1 0 240.347 1.838 50 0 BDAARO CCC[C@H](CNC(=O)C1(COC)CC1)[NH+](C)C ZINC000534585868 386645941 /nfs/dbraw/zinc/64/59/41/386645941.db2.gz RIEXYWPEQCOLOU-LLVKDONJSA-N 1 0 242.363 1.260 50 0 BDAARO Cc1cccc(C[N@H+]2CCN(C)C[C@@H]2CO)c1C ZINC000585116737 386671508 /nfs/dbraw/zinc/67/15/08/386671508.db2.gz HCLWLYSRUOJTMA-OAHLLOKOSA-N 1 0 248.370 1.412 50 0 BDAARO Cc1cccc(C[N@H+]2CCN(C)C[C@H]2CO)c1C ZINC000585116736 386671816 /nfs/dbraw/zinc/67/18/16/386671816.db2.gz HCLWLYSRUOJTMA-HNNXBMFYSA-N 1 0 248.370 1.412 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000585117077 386673916 /nfs/dbraw/zinc/67/39/16/386673916.db2.gz QKKZXAYMKLYGCD-CYBMUJFWSA-N 1 0 247.342 1.191 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)C1CC[NH2+]CC1 ZINC000019410324 386778669 /nfs/dbraw/zinc/77/86/69/386778669.db2.gz IZXNYTDXANPLQL-LLVKDONJSA-N 1 0 244.338 1.964 50 0 BDAARO COCCOCC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395413532 386827628 /nfs/dbraw/zinc/82/76/28/386827628.db2.gz WQFFTCCDXCXYQZ-GFCCVEGCSA-N 1 0 245.363 1.132 50 0 BDAARO Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000185125108 386995086 /nfs/dbraw/zinc/99/50/86/386995086.db2.gz JIGUSZOSIJAUIY-YNEHKIRRSA-N 1 0 245.326 1.199 50 0 BDAARO CC(=O)[C@](C)(O)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000331314370 387003171 /nfs/dbraw/zinc/00/31/71/387003171.db2.gz IMHKVWCABDCCKY-CQSZACIVSA-N 1 0 249.310 1.709 50 0 BDAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@@H]12 ZINC000185171273 387013092 /nfs/dbraw/zinc/01/30/92/387013092.db2.gz WALAXMSPGJGGGP-QJPTWQEYSA-N 1 0 222.332 1.372 50 0 BDAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cn2)CO1 ZINC000334944211 387021660 /nfs/dbraw/zinc/02/16/60/387021660.db2.gz MWECVHRHNQTGMK-LLVKDONJSA-N 1 0 224.279 1.878 50 0 BDAARO C[C@@H](CC(N)=O)[NH2+]CCc1ccccc1F ZINC000075568158 387292140 /nfs/dbraw/zinc/29/21/40/387292140.db2.gz VSVLASWFAJHTQU-VIFPVBQESA-N 1 0 224.279 1.222 50 0 BDAARO CCOCCN1CC[NH+](C(C)C)CC1 ZINC000075602068 387294835 /nfs/dbraw/zinc/29/48/35/387294835.db2.gz PIWDYMXVHPOXOP-UHFFFAOYSA-N 1 0 200.326 1.049 50 0 BDAARO COC(=O)C1(C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000191179483 387351746 /nfs/dbraw/zinc/35/17/46/387351746.db2.gz ZXTZKQDDCJSZDB-JTQLQIEISA-N 1 0 234.299 1.685 50 0 BDAARO O=C(/C=C/c1ccccc1)N[C@H]1CCC[NH2+]C1 ZINC000071397159 387437765 /nfs/dbraw/zinc/43/77/65/387437765.db2.gz YWVAXIKQOLNVAR-XEHSLEBBSA-N 1 0 230.311 1.568 50 0 BDAARO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCO2)n1 ZINC000103342066 387396863 /nfs/dbraw/zinc/39/68/63/387396863.db2.gz HQSXHGIEXVQPEY-MFKMUULPSA-N 1 0 236.315 1.753 50 0 BDAARO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC000089106227 387521980 /nfs/dbraw/zinc/52/19/80/387521980.db2.gz OWQWRQUAHFAPOP-QWHCGFSZSA-N 1 0 232.327 1.934 50 0 BDAARO Cc1c2ccccc2oc1CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426647878 387583999 /nfs/dbraw/zinc/58/39/99/387583999.db2.gz FFYHSHIZIZPRJP-VXGBXAGGSA-N 1 0 246.310 1.245 50 0 BDAARO C[C@]1(c2ccccc2)[NH2+]CCc2nc[nH]c21 ZINC000075285985 387555428 /nfs/dbraw/zinc/55/54/28/387555428.db2.gz MTHIAFNXJHNUGN-CYBMUJFWSA-N 1 0 213.284 1.819 50 0 BDAARO C[C@H](C(=O)NCc1cnc2c(c1)CCC2)[NH+](C)C ZINC000426382613 387562231 /nfs/dbraw/zinc/56/22/31/387562231.db2.gz GNVZQQBPTLSXSE-SNVBAGLBSA-N 1 0 247.342 1.137 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2cccc(F)c2F)C1 ZINC000054212025 387683949 /nfs/dbraw/zinc/68/39/49/387683949.db2.gz QGMHEUQRXPVENG-MRVPVSSYSA-N 1 0 240.253 1.528 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H](F)C1 ZINC000107267003 387852152 /nfs/dbraw/zinc/85/21/52/387852152.db2.gz ACHGEWOGBWGEEL-YUMQZZPRSA-N 1 0 218.272 1.211 50 0 BDAARO COCc1nc(C2CC2)nn1-c1cc[nH+]c(C)c1 ZINC000065492404 388016246 /nfs/dbraw/zinc/01/62/46/388016246.db2.gz PRGPNQDMWSSUEM-UHFFFAOYSA-N 1 0 244.298 1.995 50 0 BDAARO c1nncn1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000065495451 388017850 /nfs/dbraw/zinc/01/78/50/388017850.db2.gz RULBDTPEOJIPDF-NWDGAFQWSA-N 1 0 220.320 1.543 50 0 BDAARO Cc1ccc(/C=C/C(=O)N[C@@H]2CCC[NH2+]C2)o1 ZINC000170676260 388093891 /nfs/dbraw/zinc/09/38/91/388093891.db2.gz GSLHDTHNWADLEE-XUIVZRPNSA-N 1 0 234.299 1.469 50 0 BDAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)o1 ZINC000248619200 177769266 /nfs/dbraw/zinc/76/92/66/177769266.db2.gz MOOXXHLODCNFJL-WCFLWFBJSA-N 1 0 248.326 1.706 50 0 BDAARO COC[C@@H](O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000070733738 388237535 /nfs/dbraw/zinc/23/75/35/388237535.db2.gz ARPXYYBQYZLVFS-BDAKNGLRSA-N 1 0 230.333 1.109 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)Nc1ccccc1O ZINC000070203919 388288349 /nfs/dbraw/zinc/28/83/49/388288349.db2.gz CHUNMGAPUNYAGB-JTQLQIEISA-N 1 0 208.261 1.314 50 0 BDAARO C[N@H+](Cc1cccnc1)CC1(CO)CC1 ZINC000065397399 388276822 /nfs/dbraw/zinc/27/68/22/388276822.db2.gz AOZORZXLSUFGDS-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO C[NH+](C)CCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000230052633 388349756 /nfs/dbraw/zinc/34/97/56/388349756.db2.gz JHEIOFIBTVJIHC-MCIONIFRSA-N 1 0 240.391 1.564 50 0 BDAARO C=Cc1cccc(C[N@@H+](C)CCC(=O)NC)c1 ZINC000067713876 388406996 /nfs/dbraw/zinc/40/69/96/388406996.db2.gz CNEXXCFLLIXJKI-UHFFFAOYSA-N 1 0 232.327 1.898 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(CC)Cc1ccoc1 ZINC000152861855 388373748 /nfs/dbraw/zinc/37/37/48/388373748.db2.gz HYSGEWJVZJKXGY-SNVBAGLBSA-N 1 0 210.277 1.365 50 0 BDAARO CCS(=O)(=O)CC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000076148946 388381265 /nfs/dbraw/zinc/38/12/65/388381265.db2.gz VBTIMLISJQLTOI-MNOVXSKESA-N 1 0 233.377 1.542 50 0 BDAARO CC[C@]1(C(=O)NC[C@@H](C)SC)CC[NH2+]C1 ZINC000122372057 388382892 /nfs/dbraw/zinc/38/28/92/388382892.db2.gz JJQFPSZRFOBAOO-KOLCDFICSA-N 1 0 230.377 1.244 50 0 BDAARO C[N@H+](CCSCC(N)=O)Cc1ccccc1 ZINC000193637984 388403687 /nfs/dbraw/zinc/40/36/87/388403687.db2.gz SRJFBDNRARZLRL-UHFFFAOYSA-N 1 0 238.356 1.337 50 0 BDAARO CCC([NH3+])(CC)c1nc(C(F)F)cc(=O)[nH]1 ZINC000070948638 388441481 /nfs/dbraw/zinc/44/14/81/388441481.db2.gz AYVDAAWIVOXIJK-UHFFFAOYSA-N 1 0 231.246 1.682 50 0 BDAARO CCc1c(C)nc(C2([NH3+])CCCC2)[nH]c1=O ZINC000070953244 388442078 /nfs/dbraw/zinc/44/20/78/388442078.db2.gz JHODPFBMNUMGNS-UHFFFAOYSA-N 1 0 221.304 1.369 50 0 BDAARO Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cn1 ZINC000071875733 388447584 /nfs/dbraw/zinc/44/75/84/388447584.db2.gz PBMVQUDCYIABFA-ZDUSSCGKSA-N 1 0 245.330 1.281 50 0 BDAARO Cc1cnn([C@@H](C)[C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000069463750 388417078 /nfs/dbraw/zinc/41/70/78/388417078.db2.gz GUIYQEAUQYMLOD-QWRGUYRKSA-N 1 0 233.319 1.654 50 0 BDAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccn1 ZINC000069529595 388419343 /nfs/dbraw/zinc/41/93/43/388419343.db2.gz XLVPYCVBHMEGKF-NSHDSACASA-N 1 0 245.326 1.296 50 0 BDAARO CC[C@H](CNC(=O)c1ccco1)[NH+]1CCCC1 ZINC000040522393 388420250 /nfs/dbraw/zinc/42/02/50/388420250.db2.gz ZBHLCIWEWMSIOJ-LLVKDONJSA-N 1 0 236.315 1.884 50 0 BDAARO c1cc(C[NH2+][C@@H]2CCc3ncnn3C2)cs1 ZINC000069571200 388420684 /nfs/dbraw/zinc/42/06/84/388420684.db2.gz HRKOACDLFZIZOR-SNVBAGLBSA-N 1 0 234.328 1.444 50 0 BDAARO c1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)cc1 ZINC000069584850 388421535 /nfs/dbraw/zinc/42/15/35/388421535.db2.gz RMMUIYRUTLIXES-HNNXBMFYSA-N 1 0 246.354 1.639 50 0 BDAARO C[C@H](O)CN1CC[NH+](CC2CCCC2)CC1 ZINC000069697996 388424497 /nfs/dbraw/zinc/42/44/97/388424497.db2.gz WTILYKNBSBINNI-LBPRGKRZSA-N 1 0 226.364 1.175 50 0 BDAARO CC[C@H]1C[N@H+](CCCOC)CCN1CCOC ZINC000069739243 388426034 /nfs/dbraw/zinc/42/60/34/388426034.db2.gz BGUVSBLPAUCDSZ-ZDUSSCGKSA-N 1 0 244.379 1.066 50 0 BDAARO CN(C)[C@@H](C[NH2+]Cc1ccncc1)C1CC1 ZINC000069782262 388426535 /nfs/dbraw/zinc/42/65/35/388426535.db2.gz WNERYQRSQNVDFP-ZDUSSCGKSA-N 1 0 219.332 1.511 50 0 BDAARO CC(C)=CC[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069840819 388427478 /nfs/dbraw/zinc/42/74/78/388427478.db2.gz XVYUKXUYTAKXNB-LBPRGKRZSA-N 1 0 220.320 1.709 50 0 BDAARO CC[C@H]1CN(CC=C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000106906717 388598792 /nfs/dbraw/zinc/59/87/92/388598792.db2.gz JCBPPCUWIIQAGL-KBPBESRZSA-N 1 0 240.391 1.730 50 0 BDAARO Cc1ccc(CC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000111366304 388660040 /nfs/dbraw/zinc/66/00/40/388660040.db2.gz AYJCHAARSGHNFX-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO c1cncc(-c2n[nH]c([C@@H]3CCC[NH2+]3)n2)c1 ZINC000019340810 388740246 /nfs/dbraw/zinc/74/02/46/388740246.db2.gz HBACZVIIYAOEKF-VIFPVBQESA-N 1 0 215.260 1.291 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CC[C@H](C(=O)NCc2ccccc2)O1 ZINC000067870505 388704520 /nfs/dbraw/zinc/70/45/20/388704520.db2.gz SQMCLSYADPPAGM-WCFLWFBJSA-N 1 0 248.326 1.198 50 0 biogenic,in-vitro BDAARO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cncs1 ZINC000095979779 388800193 /nfs/dbraw/zinc/80/01/93/388800193.db2.gz VCNNJHVTGQWKIG-KXUCPTDWSA-N 1 0 224.329 1.731 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@H]1CC[C@H](C)C1 ZINC000096005934 388804314 /nfs/dbraw/zinc/80/43/14/388804314.db2.gz JGCUQQWTFCIAMA-UWVGGRQHSA-N 1 0 213.321 1.964 50 0 BDAARO CC(C)C(=O)N1CC[C@@H]([NH2+]CC2CC2)[C@@H](C)C1 ZINC000095402500 388766444 /nfs/dbraw/zinc/76/64/44/388766444.db2.gz UFKZREJRNBWRPL-WCQYABFASA-N 1 0 238.375 1.879 50 0 BDAARO CC(C)(C)[NH2+]CCNC(=O)CCc1ccccn1 ZINC000096418537 388818619 /nfs/dbraw/zinc/81/86/19/388818619.db2.gz QWELGYFMVRSXMR-UHFFFAOYSA-N 1 0 249.358 1.519 50 0 BDAARO CC[NH+](CC)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000096499950 388822052 /nfs/dbraw/zinc/82/20/52/388822052.db2.gz AOHAWZLYDISOEL-VXGBXAGGSA-N 1 0 214.353 1.031 50 0 BDAARO NC(=O)[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000254929768 388866690 /nfs/dbraw/zinc/86/66/90/388866690.db2.gz KQOYTHSIUBQRKP-BIOMNHJASA-N 1 0 248.301 1.646 50 0 BDAARO c1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)nc1 ZINC000244933179 132302908 /nfs/dbraw/zinc/30/29/08/132302908.db2.gz CFIIYXSOXXCYSK-LBPRGKRZSA-N 1 0 249.383 1.709 50 0 BDAARO C[NH+]1CCN(c2ccc3ccccc3n2)CC1 ZINC000000403653 132313506 /nfs/dbraw/zinc/31/35/06/132313506.db2.gz HOMWNUXPSJQSSU-UHFFFAOYSA-N 1 0 227.311 1.987 50 0 in-vivo BDAARO Fc1ccc(N2CC[NH2+]CC2)cc1Cl ZINC000002579291 132315097 /nfs/dbraw/zinc/31/50/97/132315097.db2.gz MKXFXPRJCBUTLX-UHFFFAOYSA-N 1 0 214.671 1.889 50 0 BDAARO C[NH+]1CCN(c2ccc(F)cc2N)CC1 ZINC000002538785 132315238 /nfs/dbraw/zinc/31/52/38/132315238.db2.gz MEVYGYSJGBINCG-UHFFFAOYSA-N 1 0 209.268 1.160 50 0 BDAARO CCCc1nc(C)cc(N2CC[NH+](CC)CC2)n1 ZINC000016606774 132323294 /nfs/dbraw/zinc/32/32/94/132323294.db2.gz VRNXBPFDTCCGCP-UHFFFAOYSA-N 1 0 248.374 1.879 50 0 BDAARO Cc1ccccc1N1CCN(C(N)=[NH2+])CC1 ZINC000019090642 132324080 /nfs/dbraw/zinc/32/40/80/132324080.db2.gz YEFOEEBRIHEZCS-UHFFFAOYSA-N 1 0 218.304 1.010 50 0 BDAARO [NH3+]C1CCN(c2ccc(Cl)nn2)CC1 ZINC000020353631 132331425 /nfs/dbraw/zinc/33/14/25/132331425.db2.gz GKPCMZDULZMSTC-UHFFFAOYSA-N 1 0 212.684 1.058 50 0 BDAARO COc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC000033426947 132335861 /nfs/dbraw/zinc/33/58/61/132335861.db2.gz BFLRVPIWYLEUOC-JTQLQIEISA-N 1 0 206.289 1.623 50 0 BDAARO c1ccc(N2CCN([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000035835457 132339728 /nfs/dbraw/zinc/33/97/28/132339728.db2.gz GYOZHHAQYIBVKK-OAHLLOKOSA-N 1 0 245.370 1.561 50 0 BDAARO COCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000053813024 132363856 /nfs/dbraw/zinc/36/38/56/132363856.db2.gz RHGMVDCRPSIVDP-UHFFFAOYSA-N 1 0 234.343 1.763 50 0 BDAARO c1cc(-c2ccccc2N2CC[NH2+]CC2)n[nH]1 ZINC000071279014 132392261 /nfs/dbraw/zinc/39/22/61/132392261.db2.gz IQRASQWIGJXELJ-UHFFFAOYSA-N 1 0 228.299 1.486 50 0 BDAARO C[NH+](C)C1CCN(c2ncccc2F)CC1 ZINC000169725334 132445381 /nfs/dbraw/zinc/44/53/81/132445381.db2.gz BJIHBZYFHSJTBK-UHFFFAOYSA-N 1 0 223.295 1.751 50 0 BDAARO CCCCS(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000074917762 134952051 /nfs/dbraw/zinc/95/20/51/134952051.db2.gz NFDGYCFQZOFLFA-UHFFFAOYSA-N 1 0 248.392 1.144 50 0 BDAARO c1cnn(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000249694305 135043781 /nfs/dbraw/zinc/04/37/81/135043781.db2.gz OWIXGMCLWKGGCH-OLZOCXBDSA-N 1 0 235.331 1.527 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(C)CCO2)C[C@@H]1C ZINC000252552200 135091760 /nfs/dbraw/zinc/09/17/60/135091760.db2.gz QDKBVOPWMUJSEI-RFGFWPKPSA-N 1 0 240.391 1.731 50 0 BDAARO CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000078895304 135250363 /nfs/dbraw/zinc/25/03/63/135250363.db2.gz JLGVYENMQWORNN-GHMZBOCLSA-N 1 0 226.364 1.831 50 0 BDAARO C[C@@H](C[NH3+])C(=O)N1CCc2c1cccc2F ZINC000335549606 136097714 /nfs/dbraw/zinc/09/77/14/136097714.db2.gz LIYHDFLMPMWVLW-QMMMGPOBSA-N 1 0 222.263 1.310 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1cnc2onc(C)c2c1 ZINC000170049101 397966496 /nfs/dbraw/zinc/96/64/96/397966496.db2.gz LLDBKSKICLNVJI-SECBINFHSA-N 1 0 234.259 1.207 50 0 BDAARO Cc1cnn(CC[NH2+]C[C@@H]2CCCCO2)c1 ZINC000072253054 397986583 /nfs/dbraw/zinc/98/65/83/397986583.db2.gz CYMIZACHVBDDGH-LBPRGKRZSA-N 1 0 223.320 1.350 50 0 BDAARO [NH3+]Cc1ncc(Cl)cc1Br ZINC000066322821 398091010 /nfs/dbraw/zinc/09/10/10/398091010.db2.gz FMQYHLKNAQPFLS-UHFFFAOYSA-N 1 0 221.485 1.956 50 0 BDAARO C[C@]1([NH3+])CCN(C(=O)OCc2ccccc2)C1 ZINC000049587182 398051729 /nfs/dbraw/zinc/05/17/29/398051729.db2.gz YUBXVEPWFANRDT-ZDUSSCGKSA-N 1 0 234.299 1.746 50 0 BDAARO CC(C)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000004284608 167113154 /nfs/dbraw/zinc/11/31/54/167113154.db2.gz YWVKUINDDXVDHE-SNVBAGLBSA-N 1 0 207.273 1.824 50 0 BDAARO C[C@@H]([NH3+])C(=O)N(CCC(F)(F)F)CC1CC1 ZINC000121874334 175794416 /nfs/dbraw/zinc/79/44/16/175794416.db2.gz IZYLTBWMEFRICJ-SSDOTTSWSA-N 1 0 238.253 1.525 50 0 BDAARO CC[C@H](CO)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000097136870 410059870 /nfs/dbraw/zinc/05/98/70/410059870.db2.gz MBUSPRHNIMYAHO-WRWGMCAJSA-N 1 0 242.363 1.135 50 0 BDAARO Brc1cnc2c(c1)C[NH2+]CC2 ZINC000012955602 166104778 /nfs/dbraw/zinc/10/47/78/166104778.db2.gz IRZFIOXYROEMPD-UHFFFAOYSA-N 1 0 213.078 1.490 50 0 BDAARO CC(=O)c1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000042775770 166483545 /nfs/dbraw/zinc/48/35/45/166483545.db2.gz BRSKDOYCEFJIRZ-SNVBAGLBSA-N 1 0 205.257 1.630 50 0 BDAARO CC(C)(C)CC[NH2+]C[C@]1(O)CCSC1 ZINC000188091141 166570877 /nfs/dbraw/zinc/57/08/77/166570877.db2.gz VGCYLRADHVUZGY-LLVKDONJSA-N 1 0 217.378 1.880 50 0 BDAARO CC(C)NC(=O)C1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000097105596 167036904 /nfs/dbraw/zinc/03/69/04/167036904.db2.gz PUROQHNKEJRDIB-UHFFFAOYSA-N 1 0 249.358 1.751 50 0 BDAARO CC(C)OCC[NH2+][C@@H](C)[C@H](C)n1cccn1 ZINC000069632224 167244087 /nfs/dbraw/zinc/24/40/87/167244087.db2.gz MTUSFQZZHYOOJT-RYUDHWBXSA-N 1 0 225.336 1.847 50 0 BDAARO C[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043937689 411130543 /nfs/dbraw/zinc/13/05/43/411130543.db2.gz VSPSYRHBGGJCKH-BXKDBHETSA-N 1 0 222.332 1.385 50 0 BDAARO CC(C)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1=O ZINC000108498153 411144871 /nfs/dbraw/zinc/14/48/71/411144871.db2.gz TWMZDGFVNIJUDQ-QJPTWQEYSA-N 1 0 240.347 1.153 50 0 BDAARO CCCCNC(=O)NCC1([NH3+])CCCC1 ZINC000656473729 411276872 /nfs/dbraw/zinc/27/68/72/411276872.db2.gz IRLOZPNYHGWRGN-UHFFFAOYSA-N 1 0 213.325 1.357 50 0 BDAARO Nc1nc(C[NH2+][C@@H]2CCCSC2)cs1 ZINC000584888526 411285630 /nfs/dbraw/zinc/28/56/30/411285630.db2.gz SDFVZVMNBJSWPQ-SSDOTTSWSA-N 1 0 229.374 1.711 50 0 BDAARO CC(C)(C)OC(=O)NCC1(C)CC[NH2+]CC1 ZINC000095644315 168033411 /nfs/dbraw/zinc/03/34/11/168033411.db2.gz VKIYCSNDWNMPKU-UHFFFAOYSA-N 1 0 228.336 1.901 50 0 BDAARO CC12CN3CC(C)(CN(C1)C31CCCCC1)C2[NH3+] ZINC000097972120 168074485 /nfs/dbraw/zinc/07/44/85/168074485.db2.gz KWSSHNPZIBRXQM-UHFFFAOYSA-N 1 0 249.402 1.632 50 0 biogenic BDAARO CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000191121673 168101958 /nfs/dbraw/zinc/10/19/58/168101958.db2.gz HEAGBAXFHQWYDG-ZOBORPQBSA-N 1 0 239.359 1.406 50 0 BDAARO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCNC(=O)CC1 ZINC000191065622 168102139 /nfs/dbraw/zinc/10/21/39/168102139.db2.gz AWZQQFPZPBDSLH-OLZOCXBDSA-N 1 0 236.359 1.801 50 0 BDAARO CCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000012348956 168231494 /nfs/dbraw/zinc/23/14/94/168231494.db2.gz UOSBGTJOXSVASZ-JTQLQIEISA-N 1 0 226.345 1.877 50 0 BDAARO CCN1CCC[N@H+](CC2CCOCC2)CC1 ZINC000095396252 169964535 /nfs/dbraw/zinc/96/45/35/169964535.db2.gz AZMPJXYFIJEEAR-UHFFFAOYSA-N 1 0 226.364 1.441 50 0 BDAARO CC[N@@H+]1C[C@H](O)[C@@H](Oc2cccc3c2CCC3)C1 ZINC000071773788 170041036 /nfs/dbraw/zinc/04/10/36/170041036.db2.gz JWDYFVZSQLGFFG-ZFWWWQNUSA-N 1 0 247.338 1.619 50 0 BDAARO CCNC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004653971 170105616 /nfs/dbraw/zinc/10/56/16/170105616.db2.gz CMCLALXYXMMYIJ-UHFFFAOYSA-N 1 0 243.420 1.780 50 0 BDAARO CC[NH2+]CC1CCN(c2ccccn2)CC1 ZINC000053664421 170112110 /nfs/dbraw/zinc/11/21/10/170112110.db2.gz NPTBGAZVZJVVDZ-UHFFFAOYSA-N 1 0 219.332 1.908 50 0 BDAARO CCOC(=O)CC1=CN2CCN=C2S1 ZINC000000039893 170198166 /nfs/dbraw/zinc/19/81/66/170198166.db2.gz SSECOEWESJDVSJ-UHFFFAOYSA-N 1 0 212.274 1.199 50 0 BDAARO CCOC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000036667741 170206861 /nfs/dbraw/zinc/20/68/61/170206861.db2.gz IDIXQDLEKMHRAK-GHMZBOCLSA-N 1 0 213.321 1.918 50 0 BDAARO CCOC(=O)CC[NH2+]Cc1cccs1 ZINC000019736945 170208779 /nfs/dbraw/zinc/20/87/79/170208779.db2.gz RVUKMQHTMQHBPR-UHFFFAOYSA-N 1 0 213.302 1.791 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccccc1OC ZINC000003678297 170233854 /nfs/dbraw/zinc/23/38/54/170233854.db2.gz MWDINARLTYYEHV-JTQLQIEISA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)N1CCC([NH2+][C@H](C)COC)CC1 ZINC000003683625 170239113 /nfs/dbraw/zinc/23/91/13/170239113.db2.gz JSULWGMBORVTHV-SNVBAGLBSA-N 1 0 244.335 1.232 50 0 BDAARO CCOC(=O)N1CCC([NH2+]CCCOC)CC1 ZINC000002494460 170239152 /nfs/dbraw/zinc/23/91/52/170239152.db2.gz CYOFQQJUEDATJA-UHFFFAOYSA-N 1 0 244.335 1.233 50 0 BDAARO CCOC(=O)N1CCC([NH2+]C2CC=CC2)CC1 ZINC000097036858 170239396 /nfs/dbraw/zinc/23/93/96/170239396.db2.gz MPXWXIOKTHBYRB-UHFFFAOYSA-N 1 0 238.331 1.916 50 0 BDAARO CCOC(=O)[C@@]1(Cc2ccccn2)CCC[NH2+]C1 ZINC000002513085 170263209 /nfs/dbraw/zinc/26/32/09/170263209.db2.gz VMRROEHRHUALQD-CQSZACIVSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)[C@H](C)Cc1ccc(C[NH3+])cc1 ZINC000012359690 170264794 /nfs/dbraw/zinc/26/47/94/170264794.db2.gz VJYSQDVQNWAVGO-SNVBAGLBSA-N 1 0 221.300 1.887 50 0 BDAARO CCOC(=O)[C@H]1CC(C)(C)[N@@H+]2CCC[C@@H]12 ZINC000014987421 170279285 /nfs/dbraw/zinc/27/92/85/170279285.db2.gz KKHJUVUUBQTBMI-UWVGGRQHSA-N 1 0 211.305 1.812 50 0 BDAARO CCOC(=O)[C@H]1CCCC[N@@H+]1CCCOC ZINC000065587456 170279988 /nfs/dbraw/zinc/27/99/88/170279988.db2.gz IOBLDAVSWWVGBO-LLVKDONJSA-N 1 0 229.320 1.441 50 0 BDAARO CCOC(=O)[C@H]1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000004183250 170281595 /nfs/dbraw/zinc/28/15/95/170281595.db2.gz RPMFBTVTRSNKTD-QWHCGFSZSA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)[C@]1(Cc2ccccn2)CCC[NH2+]C1 ZINC000015020802 170285688 /nfs/dbraw/zinc/28/56/88/170285688.db2.gz VMRROEHRHUALQD-AWEZNQCLSA-N 1 0 248.326 1.557 50 0 BDAARO CCOC(=O)c1ccc(OC2C[NH2+]C2)cc1 ZINC000002548669 170297183 /nfs/dbraw/zinc/29/71/83/170297183.db2.gz IHMHYTPAUVSGQA-UHFFFAOYSA-N 1 0 221.256 1.214 50 0 BDAARO CCOC(=O)c1cccc(O[C@H]2CC[NH2+]C2)c1 ZINC000038580816 170299374 /nfs/dbraw/zinc/29/93/74/170299374.db2.gz FSMDWXPZBAVXNG-LBPRGKRZSA-N 1 0 235.283 1.604 50 0 BDAARO CCOC(=O)c1n[nH]c(-c2cccc(C[NH3+])c2)n1 ZINC000090711657 170306073 /nfs/dbraw/zinc/30/60/73/170306073.db2.gz BEZPFAJVSMXOJF-UHFFFAOYSA-N 1 0 246.270 1.107 50 0 BDAARO CC[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000039315688 170869858 /nfs/dbraw/zinc/86/98/58/170869858.db2.gz ZIZSARFJVCTMPK-SNVBAGLBSA-N 1 0 213.302 1.500 50 0 BDAARO CC[C@H](C)C[NH2+]CCc1nnc2ccccn21 ZINC000020128285 171284669 /nfs/dbraw/zinc/28/46/69/171284669.db2.gz WLKKMJKEJURMRP-NSHDSACASA-N 1 0 232.331 1.908 50 0 BDAARO CC[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095210800 171333380 /nfs/dbraw/zinc/33/33/80/171333380.db2.gz RSGBNJYQGQOTON-JQWIXIFHSA-N 1 0 220.316 1.471 50 0 BDAARO Cc1cc(C)cc(Nc2nc(C)cc(NN)[nH+]2)c1 ZINC000044845950 412309267 /nfs/dbraw/zinc/30/92/67/412309267.db2.gz SNLWEBQDAUOOQB-UHFFFAOYSA-N 1 0 243.314 2.431 50 0 BDAARO CCc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)o1 ZINC000091762658 171785161 /nfs/dbraw/zinc/78/51/61/171785161.db2.gz QCBUKEFNBBOGCS-JTQLQIEISA-N 1 0 236.315 1.524 50 0 BDAARO CCc1nc(COCC2CC[NH2+]CC2)no1 ZINC000051815131 171989569 /nfs/dbraw/zinc/98/95/69/171989569.db2.gz BJKJWCULUDBKDB-UHFFFAOYSA-N 1 0 225.292 1.148 50 0 BDAARO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH3+])s1 ZINC000191988637 172059644 /nfs/dbraw/zinc/05/96/44/172059644.db2.gz QCTPEXURVHLNSM-PHDIDXHHSA-N 1 0 228.321 1.022 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088474 172366433 /nfs/dbraw/zinc/36/64/33/172366433.db2.gz AVOXRFVPJAIWSD-LLVKDONJSA-N 1 0 238.356 1.973 50 0 BDAARO CN(C)C(=O)C[N@@H+]1CCc2ccccc2C1(C)C ZINC000328592516 172367789 /nfs/dbraw/zinc/36/77/89/172367789.db2.gz XPYRLARDVYBPIY-UHFFFAOYSA-N 1 0 246.354 1.868 50 0 BDAARO CN(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000019607276 172452352 /nfs/dbraw/zinc/45/23/52/172452352.db2.gz WSZKPYMDYFAABV-UHFFFAOYSA-N 1 0 228.286 1.958 50 0 BDAARO CN1C(=O)C[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000069797825 172965262 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232.327 1.926 50 0 BDAARO C[NH+]1CCN(c2ccc(Cl)cc2N)CC1 ZINC000002641184 536420899 /nfs/dbraw/zinc/42/08/99/536420899.db2.gz YCISPNUGBJCZPW-UHFFFAOYSA-N 1 0 225.723 1.674 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]3C[C@H]32)[nH]1 ZINC000894774746 583517802 /nfs/dbraw/zinc/51/78/02/583517802.db2.gz WNAZYNKTBYHFMX-BBHBSTQDSA-N 1 0 220.320 1.952 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1CC[C@@H]([NH3+])CN1 ZINC000757209921 586438605 /nfs/dbraw/zinc/43/86/05/586438605.db2.gz GQLVZCFAUGOOJK-SKDRFNHKSA-N 1 0 230.315 1.623 50 0 BDAARO [NH3+]Cc1cccc(C(=O)NCC2CC2)c1 ZINC000019395687 589898667 /nfs/dbraw/zinc/89/86/67/589898667.db2.gz OLIUGYMPWIZAQU-UHFFFAOYSA-N 1 0 204.273 1.285 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2[NH3+])C1 ZINC000076644083 592317212 /nfs/dbraw/zinc/31/72/12/592317212.db2.gz CWXFYOHHOPHYMT-LDYMZIIASA-N 1 0 212.293 1.345 50 0 BDAARO O=C(NCCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000827763334 592705579 /nfs/dbraw/zinc/70/55/79/592705579.db2.gz PDUBDJJLIQHIPU-CYBMUJFWSA-N 1 0 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210.321 1.516 50 0 BDAARO COCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000041971753 972862073 /nfs/dbraw/zinc/86/20/73/972862073.db2.gz VMUHRWIQCFZESZ-UHFFFAOYSA-N 1 0 248.326 1.867 50 0 BDAARO Cc1ccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])nn1 ZINC000585650903 973918671 /nfs/dbraw/zinc/91/86/71/973918671.db2.gz HKVGNPKVGXUFND-TZMCWYRMSA-N 1 0 241.294 1.789 50 0 BDAARO Cc1nccc(OC2CC[NH+](C)CC2)n1 ZINC000585652599 973919617 /nfs/dbraw/zinc/91/96/17/973919617.db2.gz PSMWADNRSOTYTJ-UHFFFAOYSA-N 1 0 207.277 1.258 50 0 BDAARO CC(C)Cc1cc(C[NH2+][C@@H]2CCOC2)on1 ZINC000952873415 974054802 /nfs/dbraw/zinc/05/48/02/974054802.db2.gz YMEITORFDZUXKW-SNVBAGLBSA-N 1 0 224.304 1.752 50 0 BDAARO C[C@H](CN(C)CCO)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001506412854 988780978 /nfs/dbraw/zinc/78/09/78/988780978.db2.gz FUEUBNCVOYBTPM-MCIONIFRSA-N 1 0 238.375 1.197 50 0 BDAARO Cn1nccc1CN1CCCC[C@@H]([NH+](C)C)C1 ZINC001529145577 990332805 /nfs/dbraw/zinc/33/28/05/990332805.db2.gz CYYBCTDODCZBMM-GFCCVEGCSA-N 1 0 236.363 1.336 50 0 BDAARO [NH3+]CCc1ccc(CN2CCCC2=O)cc1 ZINC000070821400 398139215 /nfs/dbraw/zinc/13/92/15/398139215.db2.gz JPFSWBXZUUGGFZ-UHFFFAOYSA-N 1 0 218.300 1.310 50 0 BDAARO CCC(CC)(CCC[NH3+])C1OCCO1 ZINC000068590709 168319529 /nfs/dbraw/zinc/31/95/29/168319529.db2.gz OILIDFRKGLNAOO-UHFFFAOYSA-N 1 0 201.310 1.905 50 0 BDAARO Cc1cc(C[NH2+][C@@H](C)Cn2cccn2)on1 ZINC000065624283 178030063 /nfs/dbraw/zinc/03/00/63/178030063.db2.gz ATWPUPRBRLPNJJ-JTQLQIEISA-N 1 0 220.276 1.358 50 0 BDAARO CCCCCC[C@H](O)C[N@H+](CC)CCO ZINC000240934471 398160031 /nfs/dbraw/zinc/16/00/31/398160031.db2.gz JCINBNKBNVPKNP-LBPRGKRZSA-N 1 0 217.353 1.632 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000086316765 398202593 /nfs/dbraw/zinc/20/25/93/398202593.db2.gz DCBUXTUHVIWBDB-VIFPVBQESA-N 1 0 237.278 1.045 50 0 BDAARO C[C@H]1CN(C(=O)c2ccncc2F)C[C@H](C)[NH2+]1 ZINC000086316818 398202595 /nfs/dbraw/zinc/20/25/95/398202595.db2.gz DBVZYWLFNMGABH-IUCAKERBSA-N 1 0 237.278 1.043 50 0 BDAARO COc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000000576465 259300751 /nfs/dbraw/zinc/30/07/51/259300751.db2.gz UTJJRYCDUQTLRM-LBPRGKRZSA-N 1 0 221.300 1.964 50 0 BDAARO CC(=O)NCCCc1[nH+]cc2ccccn21 ZINC000036055887 398224000 /nfs/dbraw/zinc/22/40/00/398224000.db2.gz SIPZCRVTJZYDAU-UHFFFAOYSA-N 1 0 217.272 1.403 50 0 BDAARO CCC(CC)(CNC1=[NH+]CCCCN1)OC ZINC000521396910 259304185 /nfs/dbraw/zinc/30/41/85/259304185.db2.gz CTYOHMXYAYERMP-UHFFFAOYSA-N 1 0 227.352 1.521 50 0 BDAARO CCOCCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000076847294 398248138 /nfs/dbraw/zinc/24/81/38/398248138.db2.gz RCZIZEQPKFPMKM-UHFFFAOYSA-N 1 0 242.363 1.404 50 0 BDAARO Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c(C)n1 ZINC000070076448 178399770 /nfs/dbraw/zinc/39/97/70/178399770.db2.gz LNEQAIBFAXYPOL-QWRGUYRKSA-N 1 0 247.342 1.521 50 0 BDAARO ClC1(Cl)C[C@H]1CSC1=[NH+]CCN1 ZINC000000141773 342676584 /nfs/dbraw/zinc/67/65/84/342676584.db2.gz FXJBQITWEICODM-YFKPBYRVSA-N 1 0 225.144 1.873 50 0 BDAARO [NH3+][C@@H]1c2c(ccc3ccccc32)OC[C@@H]1CO ZINC000000167384 342679029 /nfs/dbraw/zinc/67/90/29/342679029.db2.gz DPVMRKPAOPNUIX-HZMBPMFUSA-N 1 0 229.279 1.841 50 0 BDAARO CSc1nc(C)cc(SC(N)=[NH2+])n1 ZINC000000393729 342686168 /nfs/dbraw/zinc/68/61/68/342686168.db2.gz XDIOYBXFRRUSHZ-UHFFFAOYSA-N 1 0 214.319 1.492 50 0 BDAARO Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)[NH3+])ccc12 ZINC000000057543 342672121 /nfs/dbraw/zinc/67/21/21/342672121.db2.gz IWSOXHMIRLSLKT-MRVPVSSYSA-N 1 0 246.266 1.387 50 0 BDAARO CCCCC[C@@H]([NH2+]CCC)[C@H](O)CO ZINC000002023249 342714639 /nfs/dbraw/zinc/71/46/39/342714639.db2.gz SBFBOWJLXWGTNQ-GHMZBOCLSA-N 1 0 203.326 1.288 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000004203955 342743854 /nfs/dbraw/zinc/74/38/54/342743854.db2.gz LRTPRHCNWAEZBN-UWVGGRQHSA-N 1 0 226.320 1.463 50 0 BDAARO Cc1csc(C[NH2+]C[C@@H]2CCCO2)n1 ZINC000004298839 342746256 /nfs/dbraw/zinc/74/62/56/342746256.db2.gz LYSRGWCTNHIBCS-VIFPVBQESA-N 1 0 212.318 1.720 50 0 BDAARO [NH3+][C@@H](CCn1ccnc1)c1ccccc1 ZINC000004343555 342746852 /nfs/dbraw/zinc/74/68/52/342746852.db2.gz PCQUTABEOMKBTK-LBPRGKRZSA-N 1 0 201.273 1.973 50 0 BDAARO COc1cc(C[NH3+])c(-n2cccc2)cc1OC ZINC000004343440 342746908 /nfs/dbraw/zinc/74/69/08/342746908.db2.gz XNZWFFITRIWJRO-UHFFFAOYSA-N 1 0 232.283 1.953 50 0 BDAARO Clc1cccc(OC2CC[NH2+]CC2)n1 ZINC000002527207 342722689 /nfs/dbraw/zinc/72/26/89/342722689.db2.gz KUKRKVHPRGTMKR-UHFFFAOYSA-N 1 0 212.680 1.866 50 0 BDAARO C[C@@]1([NH2+]Cc2ccccc2)CCS(=O)(=O)C1 ZINC000003865870 342738374 /nfs/dbraw/zinc/73/83/74/342738374.db2.gz QUZCDXMSDWMIPD-GFCCVEGCSA-N 1 0 239.340 1.353 50 0 BDAARO Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000004865643 342753480 /nfs/dbraw/zinc/75/34/80/342753480.db2.gz PTNVQUCRQHQMJM-LBPRGKRZSA-N 1 0 244.294 1.379 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000004988872 342755724 /nfs/dbraw/zinc/75/57/24/342755724.db2.gz LHRVCONLTQHNBG-ZDUSSCGKSA-N 1 0 232.327 1.692 50 0 BDAARO CN(C[C@@H]1CCCO1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042463956 342775840 /nfs/dbraw/zinc/77/58/40/342775840.db2.gz VEMLLQAIJFCAAS-SDDRHHMPSA-N 1 0 212.337 1.367 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000008699269 342802229 /nfs/dbraw/zinc/80/22/29/342802229.db2.gz SLESECKAUTVEET-VHSXEESVSA-N 1 0 239.702 1.816 50 0 BDAARO [NH3+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000083777318 398285329 /nfs/dbraw/zinc/28/53/29/398285329.db2.gz AKWFXFCXGOXDND-QWHCGFSZSA-N 1 0 223.291 1.858 50 0 BDAARO CC[NH+](CC)CCCNc1nnc(C)c(=O)[n-]1 ZINC000008738968 342804119 /nfs/dbraw/zinc/80/41/19/342804119.db2.gz JGKAUGPLUFANPI-UHFFFAOYSA-N 1 0 239.323 1.029 50 0 BDAARO CCCC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000042112297 361949912 /nfs/dbraw/zinc/94/99/12/361949912.db2.gz QJTFEDKLEQPHOO-UHFFFAOYSA-N 1 0 208.305 1.617 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000011920016 342844525 /nfs/dbraw/zinc/84/45/25/342844525.db2.gz ZVAQQYUVQZKQDJ-MRVPVSSYSA-N 1 0 210.664 1.404 50 0 BDAARO CC1(C)COC[C@H](Cc2ccccc2)[NH2+]1 ZINC000011950170 342844823 /nfs/dbraw/zinc/84/48/23/342844823.db2.gz IWOIUZXLUMQKPW-LBPRGKRZSA-N 1 0 205.301 1.996 50 0 BDAARO COC(=O)c1ccccc1OCC[NH+](C)C ZINC000012370452 342850428 /nfs/dbraw/zinc/85/04/28/342850428.db2.gz YYHIRPUVYUUCTJ-UHFFFAOYSA-N 1 0 223.272 1.414 50 0 BDAARO Nc1cc(Br)cn2ccnc12 ZINC000012955610 342861944 /nfs/dbraw/zinc/86/19/44/342861944.db2.gz NBHRWSCVWCCKDN-UHFFFAOYSA-N 1 0 212.050 1.679 50 0 BDAARO Clc1ncccc1O[C@@H]1CCC[NH2+]C1 ZINC000014631795 342883162 /nfs/dbraw/zinc/88/31/62/342883162.db2.gz MTWIRWGGSHIDHZ-MRVPVSSYSA-N 1 0 212.680 1.866 50 0 BDAARO Cc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(C)c1 ZINC000015001504 342890427 /nfs/dbraw/zinc/89/04/27/342890427.db2.gz DRAIFPNSXQUZSR-UHFFFAOYSA-N 1 0 246.354 1.968 50 0 BDAARO CC[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1 ZINC000016580223 342912742 /nfs/dbraw/zinc/91/27/42/342912742.db2.gz JFFJWSMMEQMPIR-UHFFFAOYSA-N 1 0 236.315 1.802 50 0 BDAARO C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000016603300 342913207 /nfs/dbraw/zinc/91/32/07/342913207.db2.gz GAZFJLYTOZEFOE-UHFFFAOYSA-N 1 0 236.290 1.650 50 0 BDAARO Cn1cncc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000067587273 398329127 /nfs/dbraw/zinc/32/91/27/398329127.db2.gz MKNDXEFCGLBYHU-SNVBAGLBSA-N 1 0 229.283 1.349 50 0 BDAARO Cc1cnn([C@@H](C)[C@@H](C)[NH2+]CCn2cncn2)c1 ZINC000069489398 398329905 /nfs/dbraw/zinc/32/99/05/398329905.db2.gz VYLMRZXLOQNHSM-NEPJUHHUSA-N 1 0 248.334 1.022 50 0 BDAARO c1ncn(C[C@H]2CCC[N@@H+]2CC2CCCC2)n1 ZINC000069490120 398330239 /nfs/dbraw/zinc/33/02/39/398330239.db2.gz YCWWKBIVZRJXJT-CYBMUJFWSA-N 1 0 234.347 1.933 50 0 BDAARO CCOc1ccccc1CN1CC[NH2+]CC1 ZINC000019367404 342947344 /nfs/dbraw/zinc/94/73/44/342947344.db2.gz BQEOHXXGJIUXQE-UHFFFAOYSA-N 1 0 220.316 1.491 50 0 BDAARO NC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CCO2 ZINC000171992328 398345083 /nfs/dbraw/zinc/34/50/83/398345083.db2.gz QLYOZVGISZQXRM-LBPRGKRZSA-N 1 0 246.310 1.071 50 0 BDAARO CCN1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000019527259 342950865 /nfs/dbraw/zinc/95/08/65/342950865.db2.gz LOMXQNKDBFAGGB-CYBMUJFWSA-N 1 0 219.332 1.656 50 0 BDAARO CCc1ccc(CN2CC[NH+](CCO)CC2)cc1 ZINC000019606852 342951773 /nfs/dbraw/zinc/95/17/73/342951773.db2.gz WNFQRFTYETXGEL-UHFFFAOYSA-N 1 0 248.370 1.359 50 0 BDAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000019634872 342952830 /nfs/dbraw/zinc/95/28/30/342952830.db2.gz DLXYTKAJNDNTJX-SNVBAGLBSA-N 1 0 238.356 1.754 50 0 BDAARO O=C([C@@H]1CCCC[NH2+]1)N1CCc2ccccc2C1 ZINC000019409006 342947721 /nfs/dbraw/zinc/94/77/21/342947721.db2.gz PRNKBGVHUOWBBO-AWEZNQCLSA-N 1 0 244.338 1.713 50 0 BDAARO Cc1ccc(C[NH2+]CCN2CCOCC2)s1 ZINC000019871976 342960471 /nfs/dbraw/zinc/96/04/71/342960471.db2.gz QLPXWCTWAPSXTI-UHFFFAOYSA-N 1 0 240.372 1.478 50 0 BDAARO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCSCC1 ZINC000602711194 349703920 /nfs/dbraw/zinc/70/39/20/349703920.db2.gz HOIFDHXUWDMWBJ-ZIBATOQPSA-N 1 0 245.413 1.335 50 0 BDAARO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCSCC1 ZINC000602711204 349704084 /nfs/dbraw/zinc/70/40/84/349704084.db2.gz HOIFDHXUWDMWBJ-PGUXBMHVSA-N 1 0 245.413 1.335 50 0 BDAARO Fc1cccc(Cl)c1CN1CC[NH2+]CC1 ZINC000020045590 342967000 /nfs/dbraw/zinc/96/70/00/342967000.db2.gz PBJVZHBDDDMHIT-UHFFFAOYSA-N 1 0 228.698 1.884 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1ccccc1F ZINC000020579211 342991745 /nfs/dbraw/zinc/99/17/45/342991745.db2.gz YTOGQBIMZKTOOP-SECBINFHSA-N 1 0 211.236 1.116 50 0 BDAARO [NH3+][C@@H]1CCc2nc(-c3ccccc3)ncc2C1 ZINC000020286073 342980654 /nfs/dbraw/zinc/98/06/54/342980654.db2.gz DBOFAIZAMCFPNL-GFCCVEGCSA-N 1 0 225.295 1.960 50 0 BDAARO CC[C@@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000022150433 343042836 /nfs/dbraw/zinc/04/28/36/343042836.db2.gz UGXANNZSHQYPTI-SECBINFHSA-N 1 0 206.289 1.674 50 0 BDAARO CC(C)(C)NC(=O)c1cccc(C[NH3+])c1 ZINC000021963455 343030969 /nfs/dbraw/zinc/03/09/69/343030969.db2.gz JOXCEYHRRUZFMA-UHFFFAOYSA-N 1 0 206.289 1.674 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000022015973 343035471 /nfs/dbraw/zinc/03/54/71/343035471.db2.gz OIKZNKIPPFFTKA-BDAKNGLRSA-N 1 0 212.293 1.215 50 0 BDAARO COc1cc(CC[NH3+])c(OC)cc1Cl ZINC000022058029 343037591 /nfs/dbraw/zinc/03/75/91/343037591.db2.gz CGKQFIWIPSIVAS-UHFFFAOYSA-N 1 0 215.680 1.858 50 0 in-vitro BDAARO CC[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000022913515 343056614 /nfs/dbraw/zinc/05/66/14/343056614.db2.gz RPNXMSHPLCRYIM-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO COC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000042643874 362014477 /nfs/dbraw/zinc/01/44/77/362014477.db2.gz AQPPLEVCNSGEFW-LBPRGKRZSA-N 1 0 219.284 1.779 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000026896696 343110829 /nfs/dbraw/zinc/11/08/29/343110829.db2.gz NFNCPNAVNRBDOU-UHFFFAOYSA-N 1 0 240.347 1.997 50 0 BDAARO c1coc(-c2nnc([C@@H]3CCC[NH2+]C3)o2)c1 ZINC000026424245 343104702 /nfs/dbraw/zinc/10/47/02/343104702.db2.gz GIZPCJKEFBDREI-MRVPVSSYSA-N 1 0 219.244 1.797 50 0 BDAARO C[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000032013787 343227972 /nfs/dbraw/zinc/22/79/72/343227972.db2.gz ZYRIKIBZFHKUCD-LBPRGKRZSA-N 1 0 220.316 1.189 50 0 BDAARO CCCN1CCC([N@@H+]2CCC[C@H]2CO)CC1 ZINC000000757213 343269923 /nfs/dbraw/zinc/26/99/23/343269923.db2.gz QALZMFJJONMUEY-ZDUSSCGKSA-N 1 0 226.364 1.318 50 0 BDAARO Cn1cccc1C(=O)OCCCCC[NH+](C)C ZINC000072310705 343271783 /nfs/dbraw/zinc/27/17/83/343271783.db2.gz WLIITQMDUSHCNF-UHFFFAOYSA-N 1 0 238.331 1.914 50 0 BDAARO CCN(C(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000035220334 343289952 /nfs/dbraw/zinc/28/99/52/343289952.db2.gz TZFLPQKNTWCQAP-GFCCVEGCSA-N 1 0 224.348 1.920 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC000036873296 343325982 /nfs/dbraw/zinc/32/59/82/343325982.db2.gz QFEPATYFSLBDGA-NSHDSACASA-N 1 0 212.337 1.905 50 0 BDAARO [NH3+][C@H]1COc2cc(Br)ccc21 ZINC000035269863 343291370 /nfs/dbraw/zinc/29/13/70/343291370.db2.gz VXHJNJHULJJTSD-ZETCQYMHSA-N 1 0 214.062 1.841 50 0 BDAARO CCOc1c(OC)cc(C[NH3+])cc1OC ZINC000035662942 343301980 /nfs/dbraw/zinc/30/19/80/343301980.db2.gz BLKUCJOTSGIEQB-UHFFFAOYSA-N 1 0 211.261 1.561 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037083406 343333005 /nfs/dbraw/zinc/33/30/05/343333005.db2.gz YQYBCJAUKBYARM-NEPJUHHUSA-N 1 0 224.348 1.920 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037083411 343333127 /nfs/dbraw/zinc/33/31/27/343333127.db2.gz HSZUFHVLTQMLAL-NEPJUHHUSA-N 1 0 224.348 1.777 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000037083387 343333170 /nfs/dbraw/zinc/33/31/70/343333170.db2.gz HRRKQAMRQIDINZ-WDEREUQCSA-N 1 0 212.337 1.761 50 0 BDAARO CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH2+]1 ZINC000037083407 343333236 /nfs/dbraw/zinc/33/32/36/343333236.db2.gz YQYBCJAUKBYARM-RYUDHWBXSA-N 1 0 224.348 1.920 50 0 BDAARO Cc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000111366302 178516093 /nfs/dbraw/zinc/51/60/93/178516093.db2.gz AYJCHAARSGHNFX-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO O=C([C@@H]1C[C@@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000038478388 343375635 /nfs/dbraw/zinc/37/56/35/343375635.db2.gz UBUQVJPGLZRQIQ-CHWSQXEVSA-N 1 0 248.301 1.361 50 0 BDAARO CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000039102813 343384307 /nfs/dbraw/zinc/38/43/07/343384307.db2.gz JUOXFFYHDMNFHE-UHFFFAOYSA-N 1 0 228.336 1.995 50 0 BDAARO CC(C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047705330 343449738 /nfs/dbraw/zinc/44/97/38/343449738.db2.gz AJUIWUZYIHGESF-LBPRGKRZSA-N 1 0 212.337 1.049 50 0 BDAARO O=C(OCC[C@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000042768819 343451045 /nfs/dbraw/zinc/45/10/45/343451045.db2.gz OKKCNDVZVQQWBC-LLVKDONJSA-N 1 0 241.331 1.346 50 0 BDAARO O=C(OC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000042768436 343451220 /nfs/dbraw/zinc/45/12/20/343451220.db2.gz XIZORANKTGWNJD-VIFPVBQESA-N 1 0 209.245 1.436 50 0 BDAARO O=C(OC[C@H]1CC[NH2+]C1)c1cc(Cl)ccn1 ZINC000042768394 343451314 /nfs/dbraw/zinc/45/13/14/343451314.db2.gz KRUCOXLUVJJTBP-QMMMGPOBSA-N 1 0 240.690 1.501 50 0 BDAARO CC(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000042782850 343452779 /nfs/dbraw/zinc/45/27/79/343452779.db2.gz OIOOKKMGWVYERE-GFCCVEGCSA-N 1 0 220.272 1.386 50 0 BDAARO O=C1CC[NH2+]CCN1Cc1ccc(F)cc1 ZINC000042784337 343454222 /nfs/dbraw/zinc/45/42/22/343454222.db2.gz LRBAOLHKQDTRKT-UHFFFAOYSA-N 1 0 222.263 1.148 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@@H](c2ccccc2)C1 ZINC000044135801 343492573 /nfs/dbraw/zinc/49/25/73/343492573.db2.gz ZRRCBQONYBQKFI-RYUDHWBXSA-N 1 0 219.284 1.553 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000043220736 343466261 /nfs/dbraw/zinc/46/62/61/343466261.db2.gz LZBANXJWOBNBLH-GFCCVEGCSA-N 1 0 226.320 1.749 50 0 in-vitro BDAARO CC[C@@H]1CCCCN1Cc1nnnn1C1CC1 ZINC000058505764 343700476 /nfs/dbraw/zinc/70/04/76/343700476.db2.gz CLDVGHAFJUGZMG-SNVBAGLBSA-N 1 0 235.335 1.773 50 0 BDAARO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COC ZINC000096417912 343730038 /nfs/dbraw/zinc/73/00/38/343730038.db2.gz ZQXZBHQSOXCHBC-NEPJUHHUSA-N 1 0 215.337 1.648 50 0 BDAARO OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000300394623 537828059 /nfs/dbraw/zinc/82/80/59/537828059.db2.gz SFTCTULRMQLPKW-GARJFASQSA-N 1 0 215.362 1.633 50 0 BDAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CF)CC1 ZINC000334543674 343891162 /nfs/dbraw/zinc/89/11/62/343891162.db2.gz OSVQFUUEQNIIJE-NSHDSACASA-N 1 0 228.311 1.289 50 0 BDAARO C[C@H]([NH2+][C@@H]1CCOC1)c1cncc(F)c1 ZINC000090773915 343939488 /nfs/dbraw/zinc/93/94/88/343939488.db2.gz DVVPBYIJLLCUKW-GZMMTYOYSA-N 1 0 210.252 1.660 50 0 BDAARO CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)C[NH3+] ZINC000157886136 344079311 /nfs/dbraw/zinc/07/93/11/344079311.db2.gz YYVFLRPWOUTNFZ-GFCCVEGCSA-N 1 0 248.326 1.324 50 0 BDAARO Cc1cnccc1CC[NH2+][C@H](C)Cn1cncn1 ZINC000585141989 344174219 /nfs/dbraw/zinc/17/42/19/344174219.db2.gz KRTOMNOCZGMCBB-GFCCVEGCSA-N 1 0 245.330 1.202 50 0 BDAARO c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCOC3)C2)n[nH]1 ZINC000084613363 344446481 /nfs/dbraw/zinc/44/64/81/344446481.db2.gz NDQGTQAZYBMLRR-RYUDHWBXSA-N 1 0 235.331 1.626 50 0 BDAARO O=C(NC[C@H]1C[NH2+]CC12CCCCC2)C1CC1 ZINC000409419503 344966315 /nfs/dbraw/zinc/96/63/15/344966315.db2.gz HKZIDPXCWJOVBS-GFCCVEGCSA-N 1 0 236.359 1.683 50 0 BDAARO CC(C)[N@@H+]1C[C@@H](Oc2ccccc2)C[C@H]1C(N)=O ZINC000409419701 344966321 /nfs/dbraw/zinc/96/63/21/344966321.db2.gz VOSSQSSOFVUOCZ-STQMWFEESA-N 1 0 248.326 1.402 50 0 BDAARO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccoc1 ZINC000248155531 345059160 /nfs/dbraw/zinc/05/91/60/345059160.db2.gz VOQSJEYIHOSFPT-QWHCGFSZSA-N 1 0 248.326 1.978 50 0 BDAARO Cc1ccc(S(=O)(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000002529128 178827357 /nfs/dbraw/zinc/82/73/57/178827357.db2.gz JGOXOHKKEMNLBX-LLVKDONJSA-N 1 0 225.313 1.131 50 0 BDAARO C[C@@]1([NH2+]CCO)CCCc2ccccc21 ZINC000095963694 345686954 /nfs/dbraw/zinc/68/69/54/345686954.db2.gz SGADSOVOFHVHMA-CYBMUJFWSA-N 1 0 205.301 1.820 50 0 BDAARO Cc1cccc(C(=O)N(C)C2CC[NH+](C)CC2)n1 ZINC000032909097 179004558 /nfs/dbraw/zinc/00/45/58/179004558.db2.gz LEMIQZBNZKTKEE-UHFFFAOYSA-N 1 0 247.342 1.556 50 0 BDAARO Cc1cccc(C[NH+](C[C@H](C)O)C[C@H](C)O)c1 ZINC000000759126 179071419 /nfs/dbraw/zinc/07/14/19/179071419.db2.gz RICIYQLEWHRWOG-STQMWFEESA-N 1 0 237.343 1.559 50 0 BDAARO Cc1ccc(C2[N+](=O)[C@@H](C)N(O)C2(C)C)o1 ZINC000000449063 346419129 /nfs/dbraw/zinc/41/91/29/346419129.db2.gz GKHDHVHQXIRLLS-MRVPVSSYSA-N 1 0 224.260 1.717 50 0 BDAARO Cc1cccc(CNC(=O)C2CC[NH2+]CC2)c1 ZINC000037719185 179085913 /nfs/dbraw/zinc/08/59/13/179085913.db2.gz FIUIHPCZCXBHSY-UHFFFAOYSA-N 1 0 232.327 1.611 50 0 BDAARO C[NH+](C)CCOC(=O)CCc1ccccc1 ZINC000002325148 346508317 /nfs/dbraw/zinc/50/83/17/346508317.db2.gz LXELBKKGSDJSKX-UHFFFAOYSA-N 1 0 221.300 1.724 50 0 BDAARO Cc1cccc(NC(=O)CN2CC[NH2+]CC2)c1C ZINC000019797587 179126987 /nfs/dbraw/zinc/12/69/87/179126987.db2.gz YIBWCYZYAXQOBI-UHFFFAOYSA-N 1 0 247.342 1.147 50 0 BDAARO Cc1cccc(OCC[NH2+]CCn2cccn2)c1 ZINC000042896462 179168249 /nfs/dbraw/zinc/16/82/49/179168249.db2.gz ALYIRZCFNBUKGD-UHFFFAOYSA-N 1 0 245.326 1.860 50 0 BDAARO CC(C)(C)[C@H]([NH2+]CC(N)=O)c1ccc(F)cc1 ZINC000048894808 347426009 /nfs/dbraw/zinc/42/60/09/347426009.db2.gz ODSPFVBUOCZJIE-GFCCVEGCSA-N 1 0 238.306 1.988 50 0 BDAARO C[C@H](O)c1ccn(CC[NH+]2CCCCC2)n1 ZINC000194433985 347540240 /nfs/dbraw/zinc/54/02/40/347540240.db2.gz OSFWUQAPVDJDDR-NSHDSACASA-N 1 0 223.320 1.422 50 0 BDAARO O=C(COC1CCCCC1)NC[C@H]1CC[NH2+]C1 ZINC000195559568 347646751 /nfs/dbraw/zinc/64/67/51/347646751.db2.gz WIRNNZGBRDYWLW-NSHDSACASA-N 1 0 240.347 1.061 50 0 BDAARO Cc1ccccc1[C@H]1CC[N@H+](CCC(N)=O)C1 ZINC000069444446 179347607 /nfs/dbraw/zinc/34/76/07/179347607.db2.gz CTXFRDJOVLUZHU-LBPRGKRZSA-N 1 0 232.327 1.660 50 0 BDAARO O[C@@H](C[N@@H+]1CCCSCC1)C(F)(F)F ZINC000082680171 348328366 /nfs/dbraw/zinc/32/83/66/348328366.db2.gz IELZLOBHRAGYBB-ZETCQYMHSA-N 1 0 229.267 1.349 50 0 BDAARO CC1CCN(c2cc(N)c(N)c[nH+]2)CC1 ZINC000669382618 538003071 /nfs/dbraw/zinc/00/30/71/538003071.db2.gz DKXUDLXSFFMIEM-UHFFFAOYSA-N 1 0 206.293 1.482 50 0 BDAARO COC[C@H](C)[NH2+][C@H]1CCCC[C@H]1OC ZINC000002729154 348435508 /nfs/dbraw/zinc/43/55/08/348435508.db2.gz YATGIAFCGMOEFX-GARJFASQSA-N 1 0 201.310 1.569 50 0 BDAARO C[C@@H]1CCCN(c2cc(N)c(N)c[nH+]2)C1 ZINC000669382980 538007079 /nfs/dbraw/zinc/00/70/79/538007079.db2.gz QDCUESGHNJICEE-MRVPVSSYSA-N 1 0 206.293 1.482 50 0 BDAARO CCN1c2ccccc2[C@@H]2C[NH2+]CC[C@H]21 ZINC000308772830 348551176 /nfs/dbraw/zinc/55/11/76/348551176.db2.gz GZYIJZZKJIPDMP-WCQYABFASA-N 1 0 202.301 1.972 50 0 BDAARO CC[NH+](CC)CCn1c2ccccc2[nH]c1=O ZINC000095850669 348838658 /nfs/dbraw/zinc/83/86/58/348838658.db2.gz DCLKFMYMURBJDV-UHFFFAOYSA-N 1 0 233.315 1.671 50 0 BDAARO Cc1csc(S[C@H]2CC[NH2+]C2)n1 ZINC000051784007 179791460 /nfs/dbraw/zinc/79/14/60/179791460.db2.gz NRXSDJAADNHNSB-ZETCQYMHSA-N 1 0 200.332 1.906 50 0 BDAARO C[C@@H]1[N@H+](C)CCC[C@]1(O)c1ccccc1 ZINC000071773095 350131192 /nfs/dbraw/zinc/13/11/92/350131192.db2.gz UWCHAPASBQUAQW-WCQYABFASA-N 1 0 205.301 1.988 50 0 BDAARO C[C@@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725256145 538055217 /nfs/dbraw/zinc/05/52/17/538055217.db2.gz VDEHQPCRVXXZQR-GWCFXTLKSA-N 1 0 240.347 1.995 50 0 BDAARO O=C1[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1C1CC1 ZINC000123347933 191073994 /nfs/dbraw/zinc/07/39/94/191073994.db2.gz FOHWKRSKCNLCDX-LBPRGKRZSA-N 1 0 234.343 1.626 50 0 BDAARO Cc1ncccc1NC(=O)[C@H]([NH3+])C(C)C ZINC000085727768 180225546 /nfs/dbraw/zinc/22/55/46/180225546.db2.gz YOVVKGUCMCNURM-SNVBAGLBSA-N 1 0 207.277 1.312 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CCC(c2ccccc2)CC1 ZINC000037804546 350289692 /nfs/dbraw/zinc/28/96/92/350289692.db2.gz BQKNXIYKAIJDAG-NSHDSACASA-N 1 0 232.327 1.740 50 0 BDAARO Cc1ncsc1C(=O)NCC(C)(C)[NH+](C)C ZINC000046565648 180304183 /nfs/dbraw/zinc/30/41/83/180304183.db2.gz WCDUFESCTOHBLF-UHFFFAOYSA-N 1 0 241.360 1.522 50 0 BDAARO Cc1ncsc1C(=O)NC[C@H](C)[NH+](C)C ZINC000046745260 180305092 /nfs/dbraw/zinc/30/50/92/180305092.db2.gz FHZFNXRCJBQYIX-ZETCQYMHSA-N 1 0 227.333 1.131 50 0 BDAARO Cc1ncsc1CC[N@H+](C)CCCO ZINC000300823542 180308199 /nfs/dbraw/zinc/30/81/99/180308199.db2.gz NGNVHNUILKGNII-UHFFFAOYSA-N 1 0 214.334 1.308 50 0 BDAARO Cc1nn(-c2ccc(F)cc2)cc1C[NH3+] ZINC000011920345 180329521 /nfs/dbraw/zinc/32/95/21/180329521.db2.gz OOGHRTAAWHWFMO-UHFFFAOYSA-N 1 0 205.236 1.779 50 0 BDAARO Cc1ncsc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000080190109 180320283 /nfs/dbraw/zinc/32/02/83/180320283.db2.gz IEORUFHUBRZDBA-SECBINFHSA-N 1 0 238.312 1.868 50 0 BDAARO Cc1nn(C)cc1[C@@H](C)Nc1cc(C[NH3+])ncn1 ZINC000067965046 180381492 /nfs/dbraw/zinc/38/14/92/180381492.db2.gz UWLWGTNPWUABCO-MRVPVSSYSA-N 1 0 246.318 1.150 50 0 BDAARO Clc1cc(OCC2CC[NH2+]CC2)ncn1 ZINC000048895441 180576647 /nfs/dbraw/zinc/57/66/47/180576647.db2.gz AXKXFKNICMTQNY-UHFFFAOYSA-N 1 0 227.695 1.508 50 0 BDAARO Clc1cncc(OCC[C@H]2CCC[NH2+]C2)n1 ZINC000042774122 180599336 /nfs/dbraw/zinc/59/93/36/180599336.db2.gz CYLKRCVAEHVKNR-SECBINFHSA-N 1 0 241.722 1.899 50 0 BDAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C(C)C)C1 ZINC000054463251 363180878 /nfs/dbraw/zinc/18/08/78/363180878.db2.gz LERVSSGOJVKUHL-GFCCVEGCSA-N 1 0 242.363 1.115 50 0 BDAARO CC(C)(C)CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541309 352354557 /nfs/dbraw/zinc/35/45/57/352354557.db2.gz YNNWGAVVKMKLRV-JTQLQIEISA-N 1 0 212.337 1.762 50 0 BDAARO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000020549635 187763347 /nfs/dbraw/zinc/76/33/47/187763347.db2.gz KHRSXDQJNPDAHE-LBPRGKRZSA-N 1 0 240.347 1.154 50 0 BDAARO CC[C@@H](C(=O)[O-])[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000044620184 352655400 /nfs/dbraw/zinc/65/54/00/352655400.db2.gz SBMAMAJQSPFQOX-RYUDHWBXSA-N 1 0 242.363 1.656 50 0 BDAARO CC(C)=CC[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC000079469904 538110533 /nfs/dbraw/zinc/11/05/33/538110533.db2.gz VIWCDXNIVFDDRA-UHFFFAOYSA-N 1 0 231.361 1.462 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CC[C@@]12CC[NH2+]C2 ZINC000095743186 188500605 /nfs/dbraw/zinc/50/06/05/188500605.db2.gz WRSIZFQACIWVCA-CABZTGNLSA-N 1 0 226.320 1.653 50 0 BDAARO CC1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC000032668119 354492885 /nfs/dbraw/zinc/49/28/85/354492885.db2.gz QYHXRYMPLYXESD-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO CC(C)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000032787915 354581004 /nfs/dbraw/zinc/58/10/04/354581004.db2.gz QVSURQUQFSDEEJ-UHFFFAOYSA-N 1 0 224.348 1.729 50 0 BDAARO NC(=[NH2+])CN(C(=O)c1ccccc1)C1CC1 ZINC000068576651 181186746 /nfs/dbraw/zinc/18/67/46/181186746.db2.gz OGHVPIDJPLUMNY-UHFFFAOYSA-N 1 0 217.272 1.227 50 0 BDAARO NC(=[NH2+])NCc1ccccc1C(F)(F)F ZINC000040845163 181190654 /nfs/dbraw/zinc/19/06/54/181190654.db2.gz JBGWWDIZIVJBNN-UHFFFAOYSA-N 1 0 217.194 1.688 50 0 BDAARO NC(=[NH2+])NCc1ccnc2ccccc12 ZINC000001853645 181190727 /nfs/dbraw/zinc/19/07/27/181190727.db2.gz NPJLQGVJRXAUGV-UHFFFAOYSA-N 1 0 200.245 1.218 50 0 BDAARO NC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000031772063 181191245 /nfs/dbraw/zinc/19/12/45/181191245.db2.gz RDOHBENOPULTBD-UHFFFAOYSA-N 1 0 219.166 1.891 50 0 BDAARO NC(=[NH2+])Nc1ccc(N2CCCC2)cc1 ZINC000034936096 181191418 /nfs/dbraw/zinc/19/14/18/181191418.db2.gz UJPBFJLWUHYVOH-UHFFFAOYSA-N 1 0 204.277 1.592 50 0 BDAARO NC(=[NH2+])SC[C@H]1COc2ccccc2O1 ZINC000003905264 181192310 /nfs/dbraw/zinc/19/23/10/181192310.db2.gz YNHSHETUOFYTPN-SSDOTTSWSA-N 1 0 224.285 1.453 50 0 BDAARO [NH2+]=C(NCc1ccccc1)NCc1cccnc1 ZINC000075581904 181198402 /nfs/dbraw/zinc/19/84/02/181198402.db2.gz IELMBDFKSWZQJH-UHFFFAOYSA-N 1 0 240.310 1.896 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000052106010 181233609 /nfs/dbraw/zinc/23/36/09/181233609.db2.gz HHNSJVMUOFWACK-ZDUSSCGKSA-N 1 0 232.327 1.569 50 0 BDAARO NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000170621953 181258156 /nfs/dbraw/zinc/25/81/56/181258156.db2.gz LVIMXKQWTMUDDQ-UHFFFAOYSA-N 1 0 233.315 1.103 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361285449 181270525 /nfs/dbraw/zinc/27/05/25/181270525.db2.gz CTKZHCHATGQJON-MGPQQGTHSA-N 1 0 244.338 1.597 50 0 BDAARO Cn1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)cn1 ZINC000085334818 538538943 /nfs/dbraw/zinc/53/89/43/538538943.db2.gz GACFCWQVCMSVKQ-ZIAGYGMSSA-N 1 0 243.310 1.168 50 0 BDAARO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC000093994616 538599449 /nfs/dbraw/zinc/59/94/49/538599449.db2.gz RUJOHXKPEJGOIF-ZJUUUORDSA-N 1 0 222.288 1.492 50 0 BDAARO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000095422895 538603583 /nfs/dbraw/zinc/60/35/83/538603583.db2.gz SFTCTULRMQLPKW-HBNTYKKESA-N 1 0 215.362 1.633 50 0 BDAARO Cc1nc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000074996022 356776675 /nfs/dbraw/zinc/77/66/75/356776675.db2.gz OYCAPQVZADGNLY-OLZOCXBDSA-N 1 0 249.358 1.960 50 0 BDAARO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000095410991 538610283 /nfs/dbraw/zinc/61/02/83/538610283.db2.gz STIQGZKMNPPCSN-CQSZACIVSA-N 1 0 232.327 1.787 50 0 BDAARO C[C@H](NC(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC000071857183 359081544 /nfs/dbraw/zinc/08/15/44/359081544.db2.gz UESMMMJEPNKSFB-JQWIXIFHSA-N 1 0 239.363 1.521 50 0 BDAARO C[C@H](NC(=O)c1ccccn1)[C@@H]1CCCC[NH2+]1 ZINC000521398761 359701980 /nfs/dbraw/zinc/70/19/80/359701980.db2.gz KIIYYEIZGLYRJE-QWRGUYRKSA-N 1 0 233.315 1.342 50 0 BDAARO C1=CC[C@@H](C[NH2+]CCN2CCOCC2)CC1 ZINC000019735336 219814877 /nfs/dbraw/zinc/81/48/77/219814877.db2.gz LTTZZFLHFAMTIU-CYBMUJFWSA-N 1 0 224.348 1.265 50 0 BDAARO Cc1cncc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000088451655 200936864 /nfs/dbraw/zinc/93/68/64/200936864.db2.gz SVXRDWYDYFGPLD-YPMHNXCESA-N 1 0 247.342 1.732 50 0 BDAARO O=C(NCCc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000426690540 200995774 /nfs/dbraw/zinc/99/57/74/200995774.db2.gz GIMVOUMUPUXWDP-CYBMUJFWSA-N 1 0 247.342 1.280 50 0 BDAARO CC1(C)C[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000170078550 361388298 /nfs/dbraw/zinc/38/82/98/361388298.db2.gz WMEITKWCKLAADZ-LNFKQOIKSA-N 1 0 222.332 1.228 50 0 BDAARO [NH3+]C1(c2ccc(Br)cc2)COC1 ZINC000071654897 181333977 /nfs/dbraw/zinc/33/39/77/181333977.db2.gz DGFXMSOTSYRUON-UHFFFAOYSA-N 1 0 228.089 1.633 50 0 BDAARO [NH3+]C1(c2nc([C@H]3CCOC3)no2)CCCCC1 ZINC000087804101 181335291 /nfs/dbraw/zinc/33/52/91/181335291.db2.gz YLDMEIQHGIKFOY-VIFPVBQESA-N 1 0 237.303 1.692 50 0 BDAARO [NH3+]C1(c2nc3c(c(=O)[nH]2)CCCCC3)CCCC1 ZINC000071804036 181334755 /nfs/dbraw/zinc/33/47/55/181334755.db2.gz RTMLMPUSCGTGAO-UHFFFAOYSA-N 1 0 247.342 1.767 50 0 BDAARO [NH2+]=C1CC[C@@](O)(c2ccc(Cl)cc2)N1 ZINC000006863373 181340241 /nfs/dbraw/zinc/34/02/41/181340241.db2.gz CFQBALSDTQOQDB-SNVBAGLBSA-N 1 0 210.664 1.636 50 0 BDAARO C[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000036949843 361582514 /nfs/dbraw/zinc/58/25/14/361582514.db2.gz SZWJKHVCWYEHOT-QMMMGPOBSA-N 1 0 204.273 1.981 50 0 BDAARO [NH3+]C1CCC(NC(=O)c2ccccc2)CC1 ZINC000037507286 181341371 /nfs/dbraw/zinc/34/13/71/181341371.db2.gz OCVGSWDIPVHRLV-UHFFFAOYSA-N 1 0 218.300 1.686 50 0 BDAARO [NH3+]C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000051172528 181343838 /nfs/dbraw/zinc/34/38/38/181343838.db2.gz KLOPHIOZUGENKM-UHFFFAOYSA-N 1 0 244.747 1.965 50 0 BDAARO [NH3+]CC(=O)Cc1cccc(Br)c1 ZINC000082351158 181348321 /nfs/dbraw/zinc/34/83/21/181348321.db2.gz HSLZLXFUXJJVLT-UHFFFAOYSA-N 1 0 228.089 1.519 50 0 BDAARO [NH3+]CC(=O)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000083943982 181349397 /nfs/dbraw/zinc/34/93/97/181349397.db2.gz LQFQVFJDZJNEIA-LLVKDONJSA-N 1 0 236.290 1.175 50 0 BDAARO O[C@H]1CCC[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000037489610 364067456 /nfs/dbraw/zinc/06/74/56/364067456.db2.gz OKFSUFYTHUYHCJ-KGLIPLIRSA-N 1 0 217.312 1.958 50 0 BDAARO [NH3+]CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002585677 181365892 /nfs/dbraw/zinc/36/58/92/181365892.db2.gz ABJVEAFRFGTATH-UHFFFAOYSA-N 1 0 248.326 1.994 50 0 BDAARO [NH3+]CCCC(=O)N1Cc2ccccc2C1 ZINC000050912456 181371444 /nfs/dbraw/zinc/37/14/44/181371444.db2.gz LTTLRCZLQBFIFJ-UHFFFAOYSA-N 1 0 204.273 1.268 50 0 BDAARO [NH3+]CCCCn1cc(Br)ccc1=O ZINC000033513375 181379482 /nfs/dbraw/zinc/37/94/82/181379482.db2.gz IQFYFTDFVNGQMZ-UHFFFAOYSA-N 1 0 245.120 1.350 50 0 BDAARO [NH3+]CCN1CCC(c2ccsc2)CC1 ZINC000090397599 181391422 /nfs/dbraw/zinc/39/14/22/181391422.db2.gz KZGBDBXGAHPKPE-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO [NH3+]CCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000001448460 181391449 /nfs/dbraw/zinc/39/14/49/181391449.db2.gz QLRQPVDPLMBXJA-TWGQIWQCSA-N 1 0 249.295 1.077 50 0 BDAARO [NH3+]CCN(Cc1ccccc1)C(=O)C1CC1 ZINC000020183593 181390505 /nfs/dbraw/zinc/39/05/05/181390505.db2.gz RXJNCBVSXPREIB-UHFFFAOYSA-N 1 0 218.300 1.384 50 0 BDAARO [NH3+]CCNCCSc1ccc(Cl)cc1 ZINC000020118407 181396488 /nfs/dbraw/zinc/39/64/88/181396488.db2.gz UQDZRJIDRVLCRX-UHFFFAOYSA-N 1 0 230.764 1.980 50 0 BDAARO [NH3+]CCNc1cccc(C(F)(F)F)n1 ZINC000044271109 181398398 /nfs/dbraw/zinc/39/83/98/181398398.db2.gz DGEWMZAPGVLJIO-UHFFFAOYSA-N 1 0 205.183 1.471 50 0 BDAARO [NH3+]CCNc1ccc(C(F)(F)F)cn1 ZINC000002570231 181398652 /nfs/dbraw/zinc/39/86/52/181398652.db2.gz PFGNVKSFFSSFEU-UHFFFAOYSA-N 1 0 205.183 1.471 50 0 BDAARO [NH3+]CCc1ccc(Br)nc1 ZINC000044397766 181411854 /nfs/dbraw/zinc/41/18/54/181411854.db2.gz FYYOUQWQNLWSBC-UHFFFAOYSA-N 1 0 201.067 1.345 50 0 BDAARO COC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000259259094 370887832 /nfs/dbraw/zinc/88/78/32/370887832.db2.gz AQAKTAJVIMBSIR-UHFFFAOYSA-N 1 0 207.220 1.281 50 0 BDAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1O ZINC000101729381 368384027 /nfs/dbraw/zinc/38/40/27/368384027.db2.gz FMHMBUYJMBGGPO-WCQYABFASA-N 1 0 205.301 1.889 50 0 BDAARO OC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000253370095 368939818 /nfs/dbraw/zinc/93/98/18/368939818.db2.gz LZLWOVHHTSUGAJ-RRFJBIMHSA-N 1 0 249.354 1.341 50 0 BDAARO OC[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000253370096 368940079 /nfs/dbraw/zinc/94/00/79/368940079.db2.gz LZLWOVHHTSUGAJ-ZNMIVQPWSA-N 1 0 249.354 1.341 50 0 BDAARO c1ccn2c(c1)nnc2CCC[NH2+][C@H]1CCOC1 ZINC000584884702 369032695 /nfs/dbraw/zinc/03/26/95/369032695.db2.gz WDKINEQLJBQXQB-NSHDSACASA-N 1 0 246.314 1.040 50 0 BDAARO O=C1CC[C@H]([NH2+]C2(c3ccccc3)CC2)CCN1 ZINC000584889557 369036931 /nfs/dbraw/zinc/03/69/31/369036931.db2.gz LUCCLYBIIWIBED-ZDUSSCGKSA-N 1 0 244.338 1.934 50 0 BDAARO Cc1nonc1C[NH2+][C@H](C)CCn1cccn1 ZINC000584890021 369037208 /nfs/dbraw/zinc/03/72/08/369037208.db2.gz YPDBBXGJQMRBJV-SECBINFHSA-N 1 0 235.291 1.143 50 0 BDAARO CC(C)[C@@H](CNc1ccncc1F)[NH+](C)C ZINC000584891126 369038137 /nfs/dbraw/zinc/03/81/37/369038137.db2.gz SENRHSGWHJECTA-GFCCVEGCSA-N 1 0 225.311 1.641 50 0 BDAARO Cc1[nH]ccc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000584890906 369038414 /nfs/dbraw/zinc/03/84/14/369038414.db2.gz SPRCGAKMWBCYBS-UHFFFAOYSA-N 1 0 249.358 1.881 50 0 BDAARO Cc1nc[nH]c1CN(C)C[C@H]1CCCC[N@@H+]1C ZINC000584894630 369041935 /nfs/dbraw/zinc/04/19/35/369041935.db2.gz QAKMYEJJYXBMQD-GFCCVEGCSA-N 1 0 236.363 1.634 50 0 BDAARO CC[NH+](CC)CCNC(=O)c1ccccc1N ZINC000002306650 369089750 /nfs/dbraw/zinc/08/97/50/369089750.db2.gz SFYZBSGSNIQFAG-UHFFFAOYSA-N 1 0 235.331 1.340 50 0 BDAARO NC(=O)c1ccccc1-c1ccc(C[NH3+])cc1 ZINC000067695736 181479707 /nfs/dbraw/zinc/47/97/07/181479707.db2.gz FXHAIKDYESSUBO-UHFFFAOYSA-N 1 0 226.279 1.911 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000110678314 369924591 /nfs/dbraw/zinc/92/45/91/369924591.db2.gz BHFNEAUFPOYSFB-JHJVBQTASA-N 1 0 236.359 1.729 50 0 BDAARO Brc1cncc2c1C[NH2+]CC2 ZINC000215222532 370074868 /nfs/dbraw/zinc/07/48/68/370074868.db2.gz GNCYHEMVUDHFFV-UHFFFAOYSA-N 1 0 213.078 1.490 50 0 in-vitro BDAARO O[C@@H]1C[C@H]2CN[C@@H](CC3CCCCC3)C[N@@H+]2C1 ZINC000066351402 370571339 /nfs/dbraw/zinc/57/13/39/370571339.db2.gz GUVXXDLHUYKJCZ-MELADBBJSA-N 1 0 238.375 1.364 50 0 BDAARO NNc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000000045342 181521880 /nfs/dbraw/zinc/52/18/80/181521880.db2.gz ZALFWPZLXIOEBV-UHFFFAOYSA-N 1 0 240.270 1.160 50 0 BDAARO O=C(c1ccc(F)c(F)c1F)N1CC[NH2+]CC1 ZINC000019679898 371182240 /nfs/dbraw/zinc/18/22/40/371182240.db2.gz FGWLIETYSZNJPF-UHFFFAOYSA-N 1 0 244.216 1.149 50 0 BDAARO C[C@H]1CN(c2ccc(Cl)nc2)C[C@H](C)[NH2+]1 ZINC000095836917 371355618 /nfs/dbraw/zinc/35/56/18/371355618.db2.gz HMGIKTJUTOBGAG-IUCAKERBSA-N 1 0 225.723 1.922 50 0 BDAARO NC(=[NH2+])C[C@H](O)C(Cl)(Cl)Cl ZINC000096027412 371382388 /nfs/dbraw/zinc/38/23/88/371382388.db2.gz KFEOXBAHPWBRRR-REOHCLBHSA-N 1 0 205.472 1.044 50 0 BDAARO Cc1cc(OC[C@@H](O)C[NH2+]C(C)C)ccc1O ZINC000096028171 371383888 /nfs/dbraw/zinc/38/38/88/371383888.db2.gz DQLBVUUKESTRFO-NSHDSACASA-N 1 0 239.315 1.438 50 0 BDAARO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ncn(C)n1 ZINC000403675746 372015343 /nfs/dbraw/zinc/01/53/43/372015343.db2.gz OWKXLACRPWLTKI-QCNOEVLYSA-N 1 0 234.347 1.902 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C\c1ccccn1 ZINC000606441223 372102330 /nfs/dbraw/zinc/10/23/30/372102330.db2.gz ZMBQHDUYYRHUEJ-WSROAFLRSA-N 1 0 245.326 1.435 50 0 BDAARO CN(C(=O)/C=C\c1ccccc1F)[C@@H]1CC[NH2+]C1 ZINC000606441778 372103262 /nfs/dbraw/zinc/10/32/62/372103262.db2.gz TXFZIKDKRUVREH-ZHRWSRJISA-N 1 0 248.301 1.659 50 0 BDAARO O=C(CCc1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000019277714 181930464 /nfs/dbraw/zinc/93/04/64/181930464.db2.gz HIAZOMKBOXFTGZ-CYBMUJFWSA-N 1 0 232.327 1.487 50 0 BDAARO O=C(CSC(F)(F)F)NC[C@@H]1CCC[NH2+]1 ZINC000178730135 182006774 /nfs/dbraw/zinc/00/67/74/182006774.db2.gz UGUBTIIKTSWOJC-LURJTMIESA-N 1 0 242.266 1.108 50 0 BDAARO Cc1ccc([C@@H](O)C[N@H+](CCO)C2CC2)cc1C ZINC000067965684 372899191 /nfs/dbraw/zinc/89/91/91/372899191.db2.gz KWYXBQBUJXTZDM-HNNXBMFYSA-N 1 0 249.354 1.794 50 0 BDAARO CCOC(C)(C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000632566510 373008788 /nfs/dbraw/zinc/00/87/88/373008788.db2.gz DDUWKKKSAYJWAV-GHMZBOCLSA-N 1 0 242.363 1.400 50 0 BDAARO CC1(C)C[N@H+](CCc2ccncc2)CCO1 ZINC000069420572 373272348 /nfs/dbraw/zinc/27/23/48/373272348.db2.gz NHVAKXUPNJLUFB-UHFFFAOYSA-N 1 0 220.316 1.735 50 0 BDAARO CC(C)=CC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069509140 373331835 /nfs/dbraw/zinc/33/18/35/373331835.db2.gz FKJSFZIRCGMALS-WDEREUQCSA-N 1 0 210.321 1.538 50 0 BDAARO Cc1cc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)on1 ZINC000069621094 373538592 /nfs/dbraw/zinc/53/85/92/373538592.db2.gz OJXQQRANVCKVQE-LLVKDONJSA-N 1 0 247.302 1.239 50 0 BDAARO O=C(NCC[C@@H]1CCCC[NH2+]1)C1CCCC1 ZINC000019513779 182198804 /nfs/dbraw/zinc/19/88/04/182198804.db2.gz BTCZEOJYGRSGJO-LBPRGKRZSA-N 1 0 224.348 1.825 50 0 BDAARO O=C(NCC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019505860 182200413 /nfs/dbraw/zinc/20/04/13/182200413.db2.gz MANQMTCNSJFKMR-CYBMUJFWSA-N 1 0 232.327 1.949 50 0 BDAARO O=C(NC[n+]1ccccc1)c1ccccc1 ZINC000000408574 182247852 /nfs/dbraw/zinc/24/78/52/182247852.db2.gz OOSACUGLZATXBH-UHFFFAOYSA-O 1 0 213.260 1.362 50 0 BDAARO O=C(NCc1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000019411793 182262360 /nfs/dbraw/zinc/26/23/60/182262360.db2.gz PDTHIKSQKDLHNY-JTQLQIEISA-N 1 0 208.261 1.038 50 0 BDAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070251776 182262437 /nfs/dbraw/zinc/26/24/37/182262437.db2.gz RNVQFUPLVJWBGE-NSHDSACASA-N 1 0 234.299 1.286 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000019386078 182294909 /nfs/dbraw/zinc/29/49/09/182294909.db2.gz QZNLQMRCXJASDU-SECBINFHSA-N 1 0 222.263 1.308 50 0 BDAARO CC(C)[C@](C)(O)C[NH2+]C[C@H]1CCC=CO1 ZINC000194452757 206090140 /nfs/dbraw/zinc/09/01/40/206090140.db2.gz OMDXDLGXKIHUSC-VXGBXAGGSA-N 1 0 213.321 1.676 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000004202834 182329943 /nfs/dbraw/zinc/32/99/43/182329943.db2.gz GEHZGURGZRSODK-LBPRGKRZSA-N 1 0 234.299 1.665 50 0 BDAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccoc1 ZINC000046996959 182335781 /nfs/dbraw/zinc/33/57/81/182335781.db2.gz SUTDZVVGZFTBBD-NWDGAFQWSA-N 1 0 234.299 1.636 50 0 BDAARO O=C(Nc1ccccc1)N1CCC[NH2+]CC1 ZINC000020284272 182375792 /nfs/dbraw/zinc/37/57/92/182375792.db2.gz CRTBOMKSWULXOU-UHFFFAOYSA-N 1 0 219.288 1.514 50 0 BDAARO O=C(Nc1ccccc1)N1CC[NH2+]CC1 ZINC000002509712 182375982 /nfs/dbraw/zinc/37/59/82/182375982.db2.gz YEQDVKYOHVLZPU-UHFFFAOYSA-N 1 0 205.261 1.124 50 0 BDAARO O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000067803349 182392648 /nfs/dbraw/zinc/39/26/48/182392648.db2.gz ZDKKQCYCCINFFT-JTQLQIEISA-N 1 0 248.330 1.300 50 0 BDAARO O=C1Nc2ccc(Cl)cc2C12CC[NH2+]CC2 ZINC000098213823 182823861 /nfs/dbraw/zinc/82/38/61/182823861.db2.gz DCHSGXLGHKIMDL-UHFFFAOYSA-N 1 0 236.702 1.913 50 0 BDAARO OCC1(C[NH2+][C@H]2CCCSC2)CCOCC1 ZINC000134815683 183036366 /nfs/dbraw/zinc/03/63/66/183036366.db2.gz YBWIZWOHLBJTCN-NSHDSACASA-N 1 0 245.388 1.261 50 0 BDAARO OCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000019363707 183073851 /nfs/dbraw/zinc/07/38/51/183073851.db2.gz IIOZWXHHYZCCSB-DAXSKMNVSA-N 1 0 246.354 1.310 50 0 BDAARO OC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000036038392 183107377 /nfs/dbraw/zinc/10/73/77/183107377.db2.gz NBDRVJMAESHLBR-NXEZZACHSA-N 1 0 249.232 1.233 50 0 BDAARO OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCC1(F)F ZINC000336144598 183149977 /nfs/dbraw/zinc/14/99/77/183149977.db2.gz GYGPZKMKPGLRHK-VHSXEESVSA-N 1 0 219.275 1.879 50 0 BDAARO OCc1ccc2c(CN3CC[NH2+]CC3)c[nH]c2c1 ZINC000030822960 183165751 /nfs/dbraw/zinc/16/57/51/183165751.db2.gz NERVJILYWKREBO-UHFFFAOYSA-N 1 0 245.326 1.065 50 0 BDAARO O[C@H](C[NH2+]C1CCOCC1)c1ccccc1F ZINC000037893091 183222494 /nfs/dbraw/zinc/22/24/94/183222494.db2.gz QXECRANRYNEODQ-CYBMUJFWSA-N 1 0 239.290 1.628 50 0 BDAARO O[C@@]1(COc2cccc(F)c2)CCC[NH2+]C1 ZINC000038580675 183216113 /nfs/dbraw/zinc/21/61/13/183216113.db2.gz CQYWOOFRSGOAIX-LBPRGKRZSA-N 1 0 225.263 1.319 50 0 BDAARO CCC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000040460807 169110333 /nfs/dbraw/zinc/11/03/33/169110333.db2.gz UPXANPHFFIAURU-UHFFFAOYSA-N 1 0 206.289 1.384 50 0 BDAARO CCC[N@H+](CC(N)=O)[C@@H]1CCc2ccccc2C1 ZINC000049000787 169110852 /nfs/dbraw/zinc/11/08/52/169110852.db2.gz SKDWOFPCFMCCIC-CQSZACIVSA-N 1 0 246.354 1.741 50 0 BDAARO O[C@]1(c2ccccc2)C[NH+]2CCC1CC2 ZINC000000260914 183251248 /nfs/dbraw/zinc/25/12/48/183251248.db2.gz ZVLGYAHPSXELHP-ZDUSSCGKSA-N 1 0 203.285 1.600 50 0 BDAARO O[C@]1(COc2cccc(F)c2)CCC[NH2+]C1 ZINC000038580676 183251394 /nfs/dbraw/zinc/25/13/94/183251394.db2.gz CQYWOOFRSGOAIX-GFCCVEGCSA-N 1 0 225.263 1.319 50 0 BDAARO O[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000048060730 183234605 /nfs/dbraw/zinc/23/46/05/183234605.db2.gz JPWVACHVTKYLFT-LBPRGKRZSA-N 1 0 239.290 1.661 50 0 BDAARO CCCN(CCC)C(=O)C1CC[NH2+]CC1 ZINC000019412461 169140254 /nfs/dbraw/zinc/14/02/54/169140254.db2.gz VZXFWMVMFMTNHR-UHFFFAOYSA-N 1 0 212.337 1.635 50 0 BDAARO Oc1cccc([C@@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000019797547 183293914 /nfs/dbraw/zinc/29/39/14/183293914.db2.gz LGVNPTXVXXPSPH-AWEZNQCLSA-N 1 0 244.294 1.610 50 0 BDAARO Oc1cccc([C@H](O)C[NH2+]Cc2cccnc2)c1 ZINC000019797548 183294517 /nfs/dbraw/zinc/29/45/17/183294517.db2.gz LGVNPTXVXXPSPH-CQSZACIVSA-N 1 0 244.294 1.610 50 0 BDAARO CCC[NH+]1CCC(c2nc(N(C)C)n[nH]2)CC1 ZINC000225844495 169190851 /nfs/dbraw/zinc/19/08/51/169190851.db2.gz RRLPMHHOVNFRIZ-UHFFFAOYSA-N 1 0 237.351 1.460 50 0 BDAARO CCCNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000058018053 169223471 /nfs/dbraw/zinc/22/34/71/169223471.db2.gz IUNUTYZIPHKMRS-GHMZBOCLSA-N 1 0 212.337 1.491 50 0 BDAARO c1cc(CC[NH2+]C[C@@H]2CCCO2)ccn1 ZINC000032919820 183337816 /nfs/dbraw/zinc/33/78/16/183337816.db2.gz MLKWJDBNORRIQL-LBPRGKRZSA-N 1 0 206.289 1.393 50 0 BDAARO c1cc(COC2CC[NH2+]CC2)cc2c1OCO2 ZINC000084943337 183368875 /nfs/dbraw/zinc/36/88/75/183368875.db2.gz YHJWHJFQTOSDDD-UHFFFAOYSA-N 1 0 235.283 1.684 50 0 BDAARO CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000044874150 169246781 /nfs/dbraw/zinc/24/67/81/169246781.db2.gz VNSZUXOFFGQDGS-NSHDSACASA-N 1 0 212.337 1.777 50 0 BDAARO c1ccc(-c2nc([C@H]3CC[NH2+]C3)no2)nc1 ZINC000169676347 183383844 /nfs/dbraw/zinc/38/38/44/183383844.db2.gz WMOAUNZXFBADQD-QMMMGPOBSA-N 1 0 216.244 1.209 50 0 BDAARO c1cnn(-c2ccccc2C[NH2+][C@H]2CCOC2)c1 ZINC000109431289 183386182 /nfs/dbraw/zinc/38/61/82/183386182.db2.gz SJUXGDRFFDBGRT-ZDUSSCGKSA-N 1 0 243.310 1.751 50 0 BDAARO c1ccc(CCN2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000253596178 183393978 /nfs/dbraw/zinc/39/39/78/183393978.db2.gz ODYLTZRECSDWCJ-CABCVRRESA-N 1 0 230.355 1.913 50 0 BDAARO CCCO[C@@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000032582155 169311104 /nfs/dbraw/zinc/31/11/04/169311104.db2.gz UHHYTTJLBAYFIX-CQSZACIVSA-N 1 0 240.391 1.972 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccnc1 ZINC000036873261 169392107 /nfs/dbraw/zinc/39/21/07/169392107.db2.gz ANNWVDZUVCNFRL-MWLCHTKSSA-N 1 0 221.304 1.386 50 0 BDAARO C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCCO1 ZINC000225432627 134353577 /nfs/dbraw/zinc/35/35/77/134353577.db2.gz RJGXMZJLYVNRMT-HTQZYQBOSA-N 1 0 227.226 1.020 50 0 BDAARO CCN(C(=O)[C@H](C)[NH3+])c1ccc(F)cc1 ZINC000050013435 169652209 /nfs/dbraw/zinc/65/22/09/169652209.db2.gz LMOKGUPFRLQXEE-QMMMGPOBSA-N 1 0 210.252 1.526 50 0 BDAARO CC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034994754 383821113 /nfs/dbraw/zinc/82/11/13/383821113.db2.gz AJXNCCRPVSQURY-UONOGXRCSA-N 1 0 219.328 1.904 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CC[C@H](C[NH3+])C1 ZINC000255659191 383855987 /nfs/dbraw/zinc/85/59/87/383855987.db2.gz ZBQPSVLDCOHHOX-FMFIFOJESA-N 1 0 244.338 1.815 50 0 BDAARO C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000035500278 383860254 /nfs/dbraw/zinc/86/02/54/383860254.db2.gz YNGHYNNGDWYZCK-GFCCVEGCSA-N 1 0 219.263 1.868 50 0 BDAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1cccc(F)c1 ZINC000036871497 383913571 /nfs/dbraw/zinc/91/35/71/383913571.db2.gz BAKZKCUKMHYSSP-LLVKDONJSA-N 1 0 224.279 1.521 50 0 BDAARO [NH3+][C@H]1CC[C@H](C(=O)N2Cc3ccccc3C2)C1 ZINC000091546465 383917215 /nfs/dbraw/zinc/91/72/15/383917215.db2.gz BUANGQNRIZHFLG-GWCFXTLKSA-N 1 0 230.311 1.656 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C)Cc1cccs1 ZINC000036871721 383918242 /nfs/dbraw/zinc/91/82/42/383918242.db2.gz AIJPTOUCRCMAGW-VIFPVBQESA-N 1 0 212.318 1.444 50 0 BDAARO C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000036904504 383920882 /nfs/dbraw/zinc/92/08/82/383920882.db2.gz XYFAEHZVQWTOPH-ZDUSSCGKSA-N 1 0 204.317 1.870 50 0 BDAARO CSCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158409889 383927961 /nfs/dbraw/zinc/92/79/61/383927961.db2.gz SBDCJJIEUXUSBN-VHSXEESVSA-N 1 0 230.377 1.373 50 0 BDAARO C[NH+](C)CCOC(=O)/C=C/c1ccccc1 ZINC000001726674 383930680 /nfs/dbraw/zinc/93/06/80/383930680.db2.gz BWJAQVSVFPHGSU-CMDGGOBGSA-N 1 0 219.284 1.805 50 0 biogenic BDAARO CC[C@H](O)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000339077314 383894024 /nfs/dbraw/zinc/89/40/24/383894024.db2.gz LFRXZEBYVMRHOS-NWDGAFQWSA-N 1 0 239.363 1.868 50 0 BDAARO C[C@H](CO)N(C)Cc1nccn1C(F)F ZINC000158392904 383906163 /nfs/dbraw/zinc/90/61/63/383906163.db2.gz ZAPVOGZNIOORBN-SSDOTTSWSA-N 1 0 219.235 1.091 50 0 BDAARO [NH3+]C[C@H](O)COc1cccc2ccccc21 ZINC000002583798 383980726 /nfs/dbraw/zinc/98/07/26/383980726.db2.gz ZFMCITCRZXLMDJ-NSHDSACASA-N 1 0 217.268 1.538 50 0 world BDAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000050246134 383985739 /nfs/dbraw/zinc/98/57/39/383985739.db2.gz FYSVXAGGHJLUJP-MRVPVSSYSA-N 1 0 240.253 1.386 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)/C=C/c2ccc(F)cc2)C1 ZINC000050246215 383986646 /nfs/dbraw/zinc/98/66/46/383986646.db2.gz VLVGHDQONOMCST-UXONFWTHSA-N 1 0 248.301 1.646 50 0 BDAARO OCC[NH2+]CCOc1cccc2ccccc21 ZINC000002930815 383993814 /nfs/dbraw/zinc/99/38/14/383993814.db2.gz JRPNGLICMSJWSR-UHFFFAOYSA-N 1 0 231.295 1.801 50 0 BDAARO C[C@H](Cn1cncn1)[NH2+]CC1=CCCCC1 ZINC000067878818 383956908 /nfs/dbraw/zinc/95/69/08/383956908.db2.gz JVQAKVHOWMLMEU-LLVKDONJSA-N 1 0 220.320 1.757 50 0 BDAARO c1ccc2c(c1)CCN([C@@H]1CCC[NH2+]C1)C2 ZINC000037246753 383964870 /nfs/dbraw/zinc/96/48/70/383964870.db2.gz JITYCRYXIKJRBA-CQSZACIVSA-N 1 0 216.328 1.797 50 0 BDAARO COC(=O)c1c(N)sc2c1CC[N@H+](C)C2 ZINC000002475574 383967122 /nfs/dbraw/zinc/96/71/22/383967122.db2.gz RJNUPQGDQZMPGZ-UHFFFAOYSA-N 1 0 226.301 1.105 50 0 BDAARO Cc1cc(C(F)(F)F)nn1CCC[NH3+] ZINC000002549616 383973409 /nfs/dbraw/zinc/97/34/09/383973409.db2.gz AKQDGIVPYKSDKZ-UHFFFAOYSA-N 1 0 207.199 1.559 50 0 BDAARO Cc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)n(C)n1 ZINC000334931241 383976419 /nfs/dbraw/zinc/97/64/19/383976419.db2.gz QHCTVMHJMZXSED-VHSXEESVSA-N 1 0 211.284 1.709 50 0 BDAARO [NH3+]Cc1ccc(I)cc1 ZINC000002563302 383977034 /nfs/dbraw/zinc/97/70/34/383977034.db2.gz KCGZGJOBKAXVSU-UHFFFAOYSA-N 1 0 233.052 1.750 50 0 BDAARO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004290947 384053923 /nfs/dbraw/zinc/05/39/23/384053923.db2.gz BAGYVQMSXHKUFC-JTQLQIEISA-N 1 0 223.272 1.276 50 0 BDAARO CSCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000135096016 384035789 /nfs/dbraw/zinc/03/57/89/384035789.db2.gz DCZNMGLJXQIYNR-MXWKQRLJSA-N 1 0 244.404 1.571 50 0 BDAARO CO[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000050438124 384041631 /nfs/dbraw/zinc/04/16/31/384041631.db2.gz AXYSJDJPWBQTDT-WCQYABFASA-N 1 0 248.326 1.181 50 0 BDAARO COC(=O)[C@@H](C)N1CCc2sccc2C1 ZINC000050499368 384064197 /nfs/dbraw/zinc/06/41/97/384064197.db2.gz WGGKJHDWUCHACR-MRVPVSSYSA-N 1 0 225.313 1.668 50 0 BDAARO C[NH+](C)CCCOc1ccccc1C=O ZINC000004520686 384064544 /nfs/dbraw/zinc/06/45/44/384064544.db2.gz DSHCOEWHRLVOTF-UHFFFAOYSA-N 1 0 207.273 1.830 50 0 BDAARO C[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000038121283 384073598 /nfs/dbraw/zinc/07/35/98/384073598.db2.gz IKMBDPPXZXBHLG-VIFPVBQESA-N 1 0 230.105 1.702 50 0 BDAARO CC(C)C[C@H](C[NH3+])NC(=O)OC(C)(C)C ZINC000039093961 384100888 /nfs/dbraw/zinc/10/08/88/384100888.db2.gz WUTNGQAKAKFXRM-SECBINFHSA-N 1 0 216.325 1.885 50 0 BDAARO O=c1c2cc(F)ccc2[nH]c2c1C[NH2+]CC2 ZINC000070451502 384107980 /nfs/dbraw/zinc/10/79/80/384107980.db2.gz KJTOLBDLWBKRMU-UHFFFAOYSA-N 1 0 218.231 1.313 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[NH2+]CCC[C@@H]21 ZINC000091302529 384114131 /nfs/dbraw/zinc/11/41/31/384114131.db2.gz FDFLOMHRKLYFOT-IUCAKERBSA-N 1 0 212.293 1.358 50 0 BDAARO C[NH+](C)[C@H]1CN(Cc2ncccn2)C[C@@H]1C1CC1 ZINC000091574761 384133904 /nfs/dbraw/zinc/13/39/04/384133904.db2.gz AETHTEVTUIBJKC-OLZOCXBDSA-N 1 0 246.358 1.249 50 0 BDAARO Cc1cc(C2CCC2)nc(N2CC[C@@H]([NH3+])C2)n1 ZINC000071745981 384176617 /nfs/dbraw/zinc/17/66/17/384176617.db2.gz IERLVDRURRWREV-LLVKDONJSA-N 1 0 232.331 1.590 50 0 BDAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC(C)C)C1 ZINC000072309524 384205879 /nfs/dbraw/zinc/20/58/79/384205879.db2.gz CPBZWPCAADTGCA-NSHDSACASA-N 1 0 227.352 1.378 50 0 BDAARO C[C@@]1(F)CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000336268727 384195128 /nfs/dbraw/zinc/19/51/28/384195128.db2.gz HTKAGWQFCIBTJY-GHMZBOCLSA-N 1 0 201.285 1.847 50 0 BDAARO CC(=O)Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000042776268 384243123 /nfs/dbraw/zinc/24/31/23/384243123.db2.gz AGOZBGDLGQUWDJ-CYBMUJFWSA-N 1 0 234.299 1.776 50 0 BDAARO CC(=O)c1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042771448 384243329 /nfs/dbraw/zinc/24/33/29/384243329.db2.gz HDXRKCDKGSWOMK-NSHDSACASA-N 1 0 219.284 1.878 50 0 BDAARO CC(=O)Nc1cccc(OC[C@H]2CC[NH2+]C2)c1 ZINC000042772730 384242087 /nfs/dbraw/zinc/24/20/87/384242087.db2.gz VAQDACDNDKWIEA-NSHDSACASA-N 1 0 234.299 1.633 50 0 BDAARO COC(=O)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000042782862 384242445 /nfs/dbraw/zinc/24/24/45/384242445.db2.gz LLYKUPCTEAPACA-NSHDSACASA-N 1 0 249.310 1.852 50 0 BDAARO [NH3+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000011978552 384303959 /nfs/dbraw/zinc/30/39/59/384303959.db2.gz FMSWKLRKGQECQK-ZETCQYMHSA-N 1 0 217.671 1.589 50 0 BDAARO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)OC(C)(C)C ZINC000012357174 384314831 /nfs/dbraw/zinc/31/48/31/384314831.db2.gz RMTXPZPWCLGBFD-DTWKUNHWSA-N 1 0 214.309 1.604 50 0 BDAARO CC[NH+](CC)CCC(=O)NC[C@@H]1CCCOC1 ZINC000408523457 384288490 /nfs/dbraw/zinc/28/84/90/384288490.db2.gz RRMHRGLPBFTSFG-LBPRGKRZSA-N 1 0 242.363 1.261 50 0 BDAARO Cc1c[nH+]c(NN)c(Br)c1 ZINC000075759762 384336394 /nfs/dbraw/zinc/33/63/94/384336394.db2.gz RCYBQALBHFMWID-UHFFFAOYSA-N 1 0 202.055 1.438 50 0 BDAARO C[NH+](C)CCCn1cnc2cc(N)ccc21 ZINC000044965586 384366424 /nfs/dbraw/zinc/36/64/24/384366424.db2.gz XKOGTPVTPOBYTR-UHFFFAOYSA-N 1 0 218.304 1.570 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000059825414 384369307 /nfs/dbraw/zinc/36/93/07/384369307.db2.gz BQMAENMWXMYUEV-PHIMTYICSA-N 1 0 240.347 1.853 50 0 BDAARO c1nc2cnccn2c1C[N@@H+]1CCCSCC1 ZINC000097113621 384369763 /nfs/dbraw/zinc/36/97/63/384369763.db2.gz UHXQSIZZDIJWFJ-UHFFFAOYSA-N 1 0 248.355 1.668 50 0 BDAARO C[C@H]([NH2+]CC1OCCO1)C1CCCCC1 ZINC000097109655 384372943 /nfs/dbraw/zinc/37/29/43/384372943.db2.gz UHAFLCSWVJSTSY-JTQLQIEISA-N 1 0 213.321 1.918 50 0 BDAARO COC(=O)c1cccc(-c2nccn2C)c1 ZINC000032580913 384327161 /nfs/dbraw/zinc/32/71/61/384327161.db2.gz FDDDNUWAPKAQGU-UHFFFAOYSA-N 1 0 216.240 1.874 50 0 BDAARO COc1ccccc1NC(=O)NC1CC[NH2+]CC1 ZINC000012644905 384328418 /nfs/dbraw/zinc/32/84/18/384328418.db2.gz IPSCJOAQGJISAL-UHFFFAOYSA-N 1 0 249.314 1.569 50 0 BDAARO CC(=O)Nc1cccc(OC2CC[NH2+]CC2)c1 ZINC000014631912 384398601 /nfs/dbraw/zinc/39/86/01/384398601.db2.gz VUHTTZFQPPZFPA-UHFFFAOYSA-N 1 0 234.299 1.776 50 0 BDAARO C(C[C@H]1CCCC[NH2+]1)OC[C@@H]1CCCO1 ZINC000014632320 384398973 /nfs/dbraw/zinc/39/89/73/384398973.db2.gz POLNDYKRIKKWTI-NEPJUHHUSA-N 1 0 213.321 1.714 50 0 BDAARO Cc1ccc(OCC2CC[NH2+]CC2)cn1 ZINC000014631500 384399122 /nfs/dbraw/zinc/39/91/22/384399122.db2.gz PEWDJIVSSXDIQI-UHFFFAOYSA-N 1 0 206.289 1.768 50 0 BDAARO [NH3+]Cc1cc(C(=O)Nc2ccccc2O)ccn1 ZINC000095883661 384404676 /nfs/dbraw/zinc/40/46/76/384404676.db2.gz QZRAKMPPKCNOQD-UHFFFAOYSA-N 1 0 243.266 1.498 50 0 BDAARO O=S(=O)(C[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000095908537 384405562 /nfs/dbraw/zinc/40/55/62/384405562.db2.gz WRGOZEXAFHVZMA-JTQLQIEISA-N 1 0 231.361 1.486 50 0 BDAARO O=S(=O)(C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000095908567 384408531 /nfs/dbraw/zinc/40/85/31/384408531.db2.gz NTPRADMDCMTGRQ-NSHDSACASA-N 1 0 239.340 1.602 50 0 BDAARO CC(=O)c1ccc(C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000178715664 384413595 /nfs/dbraw/zinc/41/35/95/384413595.db2.gz NZVRXGJOOFRHPM-CYBMUJFWSA-N 1 0 246.310 1.371 50 0 BDAARO Clc1ccc2nnc(C3CC[NH2+]CC3)n2n1 ZINC000096029638 384422033 /nfs/dbraw/zinc/42/20/33/384422033.db2.gz XZANHWMVAMYLSO-UHFFFAOYSA-N 1 0 237.694 1.245 50 0 BDAARO CCC[C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000046275255 384424606 /nfs/dbraw/zinc/42/46/06/384424606.db2.gz PGJSSCNFPGWKFG-VHSXEESVSA-N 1 0 200.326 1.489 50 0 BDAARO O=C1c2ccccc2C(=O)N1CC1CC[NH2+]CC1 ZINC000013945746 384377256 /nfs/dbraw/zinc/37/72/56/384377256.db2.gz RWCMKJHKOKQKON-UHFFFAOYSA-N 1 0 244.294 1.282 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](F)[C@@H]([NH3+])C1 ZINC000095616553 384382470 /nfs/dbraw/zinc/38/24/70/384382470.db2.gz CVHJEFDRBTZVEL-YUMQZZPRSA-N 1 0 218.272 1.293 50 0 BDAARO O=C1OCC[C@]2(CC[NH2+]C2)N1Cc1ccccc1 ZINC000095628886 384384756 /nfs/dbraw/zinc/38/47/56/384384756.db2.gz JHJRHUJQJKLEED-AWEZNQCLSA-N 1 0 246.310 1.761 50 0 BDAARO C[NH+]1CCC(C(=O)c2cccnc2)CC1 ZINC000095644785 384387553 /nfs/dbraw/zinc/38/75/53/384387553.db2.gz ZEBTXOPZGUNQBW-UHFFFAOYSA-N 1 0 204.273 1.606 50 0 BDAARO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccn1 ZINC000134810325 384390391 /nfs/dbraw/zinc/39/03/91/384390391.db2.gz QFBSOTRQZWGDSB-SDDRHHMPSA-N 1 0 218.300 1.669 50 0 BDAARO Cc1ccc(C[NH2+][C@H](C)CC(N)=O)s1 ZINC000072313672 384430387 /nfs/dbraw/zinc/43/03/87/384430387.db2.gz PNYBOVCTEWCSGS-SSDOTTSWSA-N 1 0 212.318 1.410 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000369450155 384432399 /nfs/dbraw/zinc/43/23/99/384432399.db2.gz BOZRNHAQKWLPIJ-GMTAPVOTSA-N 1 0 210.321 1.515 50 0 BDAARO Cc1nsc(NC(=O)[C@]2(C)CCC[NH2+]C2)n1 ZINC000097234141 384461996 /nfs/dbraw/zinc/46/19/96/384461996.db2.gz NNNPWSCGIVOEGR-SNVBAGLBSA-N 1 0 240.332 1.175 50 0 BDAARO [NH3+]CCc1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1 ZINC000023128853 384503768 /nfs/dbraw/zinc/50/37/68/384503768.db2.gz XECHKYUSWSXSPC-UHFFFAOYSA-N 1 0 249.701 1.592 50 0 BDAARO C(=C/c1ccccc1)\CN1CC[NH2+]CC1 ZINC000019203144 384512048 /nfs/dbraw/zinc/51/20/48/384512048.db2.gz WGEIOMTZIIOUMA-QPJJXVBHSA-N 1 0 202.301 1.605 50 0 BDAARO COc1ccccc1C[NH2+]CCN(C)C ZINC000019735352 384535239 /nfs/dbraw/zinc/53/52/39/384535239.db2.gz CLCVRXIVCHZHRI-UHFFFAOYSA-N 1 0 208.305 1.346 50 0 BDAARO [NH3+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000019361979 384516692 /nfs/dbraw/zinc/51/66/92/384516692.db2.gz CHWYCUIRUZAFQG-GFCCVEGCSA-N 1 0 224.279 1.158 50 0 BDAARO Cn1nc([C@H]2CC[NH2+]C2)c2cccnc21 ZINC000019686681 384530718 /nfs/dbraw/zinc/53/07/18/384530718.db2.gz UBSDVSNPIBAIJF-QMMMGPOBSA-N 1 0 202.261 1.045 50 0 BDAARO COc1ccc(NC(=O)C(C)(C)[NH3+])cc1 ZINC000019672593 384531307 /nfs/dbraw/zinc/53/13/07/384531307.db2.gz NUAQIFXXXNKLQR-UHFFFAOYSA-N 1 0 208.261 1.371 50 0 BDAARO c1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019801383 384540100 /nfs/dbraw/zinc/54/01/00/384540100.db2.gz JCMMXVUEJTZCIS-UHFFFAOYSA-N 1 0 220.316 1.361 50 0 BDAARO [NH3+][C@@H]1CCCc2nc(-c3cccnc3)ncc21 ZINC000050094077 384590762 /nfs/dbraw/zinc/59/07/62/384590762.db2.gz CWUPPLXXGRJCBZ-LLVKDONJSA-N 1 0 226.283 1.875 50 0 BDAARO c1ccn2c(c1)nnc2C[NH2+]C1CCCC1 ZINC000020185275 384589077 /nfs/dbraw/zinc/58/90/77/384589077.db2.gz AUEYIMOVHPKMHJ-UHFFFAOYSA-N 1 0 216.288 1.762 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]Cc1occc1C ZINC000097081567 384669023 /nfs/dbraw/zinc/66/90/23/384669023.db2.gz WHEZWSXNPBRIES-UHFFFAOYSA-N 1 0 225.288 1.877 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000082359724 384671959 /nfs/dbraw/zinc/67/19/59/384671959.db2.gz WWVFPVXAOTXXOG-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C1(C)C ZINC000082370862 384675086 /nfs/dbraw/zinc/67/50/86/384675086.db2.gz QLAWEXSQVWRIQD-MRVPVSSYSA-N 1 0 214.309 1.733 50 0 BDAARO O[C@H]1C[N@@H+]2CC[C@H]1[C@@H](c1ccccc1)C2 ZINC000239184830 384653861 /nfs/dbraw/zinc/65/38/61/384653861.db2.gz RBDNCVMVYPEQHO-XQQFMLRXSA-N 1 0 203.285 1.467 50 0 BDAARO CC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000003071682 384677193 /nfs/dbraw/zinc/67/71/93/384677193.db2.gz TVKJITFRKYYHFB-UHFFFAOYSA-N 1 0 231.299 1.970 50 0 BDAARO CC(C)c1noc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000051640214 384678683 /nfs/dbraw/zinc/67/86/83/384678683.db2.gz FYYGURSDYVIEFG-SECBINFHSA-N 1 0 224.308 1.159 50 0 BDAARO CC(=O)Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000051783803 384687901 /nfs/dbraw/zinc/68/79/01/384687901.db2.gz QXZOPZYIWQPHQC-SNVBAGLBSA-N 1 0 220.272 1.386 50 0 BDAARO C[C@@H](O)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000125201909 384700146 /nfs/dbraw/zinc/70/01/46/384700146.db2.gz LYWPYBQCCQBRDD-SNVBAGLBSA-N 1 0 219.284 1.433 50 0 BDAARO CC(C)(O)C[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000077315653 384702940 /nfs/dbraw/zinc/70/29/40/384702940.db2.gz APMQSUBOXUGEQT-LBPRGKRZSA-N 1 0 226.364 1.318 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1csnn1 ZINC000097139306 384704650 /nfs/dbraw/zinc/70/46/50/384704650.db2.gz QDYOXUOPOAANGF-NSHDSACASA-N 1 0 240.376 1.310 50 0 BDAARO c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC000021982805 384712649 /nfs/dbraw/zinc/71/26/49/384712649.db2.gz AFYZAHZKOFBVLE-KGLIPLIRSA-N 1 0 216.328 1.870 50 0 BDAARO Cc1cc(C)cc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000022211893 384743728 /nfs/dbraw/zinc/74/37/28/384743728.db2.gz XPSWFUQWOQDXFF-UHFFFAOYSA-N 1 0 232.327 1.785 50 0 BDAARO CC(C)(C)OC(=O)CN1CC[NH+](C2CC2)CC1 ZINC000084199734 384760079 /nfs/dbraw/zinc/76/00/79/384760079.db2.gz XAXJMIDNOLPZOS-UHFFFAOYSA-N 1 0 240.347 1.108 50 0 BDAARO C[C@@H](CC(N)=O)[NH2+]CC1(c2ccccc2)CC1 ZINC000084636694 384762792 /nfs/dbraw/zinc/76/27/92/384762792.db2.gz BUPQKIPWYAZKPM-NSHDSACASA-N 1 0 232.327 1.572 50 0 BDAARO CCO[C@H]1C[C@H]([NH2+]CC(=O)NC(C)C)C1(C)C ZINC000085381287 384770059 /nfs/dbraw/zinc/77/00/59/384770059.db2.gz BIRWEGLMFVJYDE-QWRGUYRKSA-N 1 0 242.363 1.304 50 0 BDAARO CC(C)CC[NH2+]Cc1nc(N(C)C)no1 ZINC000190816809 384819055 /nfs/dbraw/zinc/81/90/55/384819055.db2.gz PGEGODIBTBUFAJ-UHFFFAOYSA-N 1 0 212.297 1.271 50 0 BDAARO C[NH2+][C@@H]1CCN(C(=O)Cc2cccs2)C1 ZINC000084498413 384872237 /nfs/dbraw/zinc/87/22/37/384872237.db2.gz FUIDFDHBHLPZRW-SECBINFHSA-N 1 0 224.329 1.111 50 0 BDAARO COC(=O)c1c(C)[nH+]c2ccccc2c1N ZINC000039251453 384906975 /nfs/dbraw/zinc/90/69/75/384906975.db2.gz IKDSWDBQIXGGQC-UHFFFAOYSA-N 1 0 216.240 1.912 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC000057219122 384936441 /nfs/dbraw/zinc/93/64/41/384936441.db2.gz KQJIICGAXIAFIA-IUCAKERBSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH3+])[C@H]2C1 ZINC000253182213 384943647 /nfs/dbraw/zinc/94/36/47/384943647.db2.gz IIZSRECJUBGQCE-XHNCKOQMSA-N 1 0 212.293 1.201 50 0 BDAARO C[NH+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000085794079 384967707 /nfs/dbraw/zinc/96/77/07/384967707.db2.gz QSBKRRSLHVGQER-NSHDSACASA-N 1 0 213.708 1.805 50 0 BDAARO C[NH+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000085794078 384968044 /nfs/dbraw/zinc/96/80/44/384968044.db2.gz QSBKRRSLHVGQER-LLVKDONJSA-N 1 0 213.708 1.805 50 0 BDAARO CC[C@H]1CN(CC=C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000072279719 384976519 /nfs/dbraw/zinc/97/65/19/384976519.db2.gz JCBPPCUWIIQAGL-KGLIPLIRSA-N 1 0 240.391 1.730 50 0 BDAARO COC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000062161087 385077145 /nfs/dbraw/zinc/07/71/45/385077145.db2.gz WUGXJICEYRNAIA-GFCCVEGCSA-N 1 0 220.316 1.940 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000060394247 385083303 /nfs/dbraw/zinc/08/33/03/385083303.db2.gz HGRDDBPZHZEGNY-DTWKUNHWSA-N 1 0 214.309 1.639 50 0 BDAARO [NH3+]Cc1ccc(-n2cncn2)cc1Cl ZINC000061846481 385141561 /nfs/dbraw/zinc/14/15/61/385141561.db2.gz UBQIANVDFCGMNU-UHFFFAOYSA-N 1 0 208.652 1.379 50 0 BDAARO C[NH+](C)CCNC(=O)c1c[nH]c2ccccc12 ZINC000000309293 385279079 /nfs/dbraw/zinc/27/90/79/385279079.db2.gz LJTWZMMVQFDGPD-UHFFFAOYSA-N 1 0 231.299 1.459 50 0 biogenic BDAARO Cc1cnc(C2C[NH2+]C2)n1Cc1ccccc1 ZINC000169676729 385417343 /nfs/dbraw/zinc/41/73/43/385417343.db2.gz XYUHJPHWTNERRF-UHFFFAOYSA-N 1 0 227.311 1.927 50 0 BDAARO Cc1ccc(F)cc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000062666786 385477283 /nfs/dbraw/zinc/47/72/83/385477283.db2.gz GHFXIMGSKUPNMZ-JTQLQIEISA-N 1 0 236.290 1.555 50 0 BDAARO CNc1ccccc1C1=[NH+][C@H]2C=CC=C[C@@H]2N1 ZINC000222377773 385656544 /nfs/dbraw/zinc/65/65/44/385656544.db2.gz SWFKKAOUQQAALN-STQMWFEESA-N 1 0 225.295 1.941 50 0 BDAARO CC(C)(C)OC(=O)CC1([NH3+])CCOCC1 ZINC000258851506 385779821 /nfs/dbraw/zinc/77/98/21/385779821.db2.gz KPEXFDLQKJSFFN-UHFFFAOYSA-N 1 0 215.293 1.226 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]3CC[C@@H]([NH2+]3)[C@@H]2C1 ZINC000215642915 385847402 /nfs/dbraw/zinc/84/74/02/385847402.db2.gz MLDIRADMWSSTFU-DTIDVZRVSA-N 1 0 238.331 1.604 50 0 BDAARO CCN(CC[NH+](C)C)C(=O)c1cccn1C1CC1 ZINC000215774023 385850336 /nfs/dbraw/zinc/85/03/36/385850336.db2.gz NYYUSFJULQRPRB-UHFFFAOYSA-N 1 0 249.358 1.847 50 0 BDAARO CC[C@@H](C(=O)N1CCC(CC)CC1)[NH+](C)C ZINC000338269799 385935319 /nfs/dbraw/zinc/93/53/19/385935319.db2.gz ABSMVURWMDIBTB-LBPRGKRZSA-N 1 0 226.364 1.975 50 0 BDAARO CCOCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414072351 385946606 /nfs/dbraw/zinc/94/66/06/385946606.db2.gz MKHSOIZRWLGIEN-SNVBAGLBSA-N 1 0 223.320 1.516 50 0 BDAARO C[C@H]([NH3+])[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(F)(F)F ZINC000225238314 386178851 /nfs/dbraw/zinc/17/88/51/386178851.db2.gz TZMCARCFSUVHAG-LURQLKTLSA-N 1 0 240.269 1.374 50 0 BDAARO Cc1cncc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)c1 ZINC000275618756 386224855 /nfs/dbraw/zinc/22/48/55/386224855.db2.gz JUHDMEZTHOIRHB-WCBMZHEXSA-N 1 0 223.251 1.029 50 0 BDAARO CC[C@@H](C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)on1 ZINC000132316030 386229590 /nfs/dbraw/zinc/22/95/90/386229590.db2.gz JIEDJTYQMLMPTB-RKDXNWHRSA-N 1 0 237.303 1.361 50 0 BDAARO CSCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000225432572 386194170 /nfs/dbraw/zinc/19/41/70/386194170.db2.gz WMBYQYSCUBJSLN-UHFFFAOYSA-N 1 0 228.361 1.118 50 0 BDAARO CCS[C@@H]1CC[C@@H](N(C)C(=O)CCC[NH3+])C1 ZINC000236881631 386321023 /nfs/dbraw/zinc/32/10/23/386321023.db2.gz BHIQIJVMILVXAA-GHMZBOCLSA-N 1 0 244.404 1.858 50 0 BDAARO [NH3+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000521398755 386418146 /nfs/dbraw/zinc/41/81/46/386418146.db2.gz AAMBEWXHCMJKOP-VXNVDRBHSA-N 1 0 217.190 1.880 50 0 BDAARO Cc1ccc(CCC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000052946126 386436221 /nfs/dbraw/zinc/43/62/21/386436221.db2.gz XJKAJWRWFCZPMB-ZDUSSCGKSA-N 1 0 232.327 1.487 50 0 BDAARO CC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC000087049728 386436609 /nfs/dbraw/zinc/43/66/09/386436609.db2.gz SPQFRWGSHAZOIH-MRVPVSSYSA-N 1 0 208.261 1.376 50 0 BDAARO [NH3+]C[C@H]1Cc2cccc(-c3cncnc3)c2O1 ZINC000299779751 386490125 /nfs/dbraw/zinc/49/01/25/386490125.db2.gz OAGPUUOIYHOOIM-LLVKDONJSA-N 1 0 227.267 1.406 50 0 BDAARO c1cncc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000035054369 386564053 /nfs/dbraw/zinc/56/40/53/386564053.db2.gz DWFGWUGKKQBTJG-UHFFFAOYSA-N 1 0 231.343 1.798 50 0 BDAARO Cn1cccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000585108346 386666413 /nfs/dbraw/zinc/66/64/13/386666413.db2.gz RLRQCYIPRUXSKK-UHFFFAOYSA-N 1 0 247.342 1.383 50 0 BDAARO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000585116015 386671634 /nfs/dbraw/zinc/67/16/34/386671634.db2.gz DIZNUWKWPMEXSK-CHWSQXEVSA-N 1 0 239.290 1.143 50 0 BDAARO CCSCC[NH2+]Cc1cc(OC)no1 ZINC000585116634 386672085 /nfs/dbraw/zinc/67/20/85/386672085.db2.gz CYEGVIRSKICRLV-UHFFFAOYSA-N 1 0 216.306 1.526 50 0 BDAARO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000585116018 386673489 /nfs/dbraw/zinc/67/34/89/386673489.db2.gz DIZNUWKWPMEXSK-STQMWFEESA-N 1 0 239.290 1.143 50 0 BDAARO C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)c1ccncc1 ZINC000124713161 386684077 /nfs/dbraw/zinc/68/40/77/386684077.db2.gz IABJXTKUVPOELP-NWDGAFQWSA-N 1 0 247.342 1.396 50 0 BDAARO C[NH+](C)C1(CNC(=O)c2ccco2)CCCC1 ZINC000046707954 386707777 /nfs/dbraw/zinc/70/77/77/386707777.db2.gz BISHJJOSOYNDTQ-UHFFFAOYSA-N 1 0 236.315 1.884 50 0 BDAARO C[NH+](C)C1CN(C(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC000335537697 386742818 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388363858 /nfs/dbraw/zinc/36/38/58/388363858.db2.gz LCQJZTOZBSFLBE-NXEZZACHSA-N 1 0 238.360 1.885 50 0 BDAARO Cc1noc([C@@H](C)N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000089718531 388363977 /nfs/dbraw/zinc/36/39/77/388363977.db2.gz GTAGSBKVJLOMTD-DTWKUNHWSA-N 1 0 224.308 1.075 50 0 BDAARO COC(=O)C[C@H]1CSCC[N@@H+]1CC=C(C)C ZINC000089914121 388372635 /nfs/dbraw/zinc/37/26/35/388372635.db2.gz AMYRDBHCSHSKHK-NSHDSACASA-N 1 0 243.372 1.933 50 0 BDAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)CN1C ZINC000089920309 388373833 /nfs/dbraw/zinc/37/38/33/388373833.db2.gz RGLPTCLUYOGMCQ-BNOWGMLFSA-N 1 0 237.391 1.153 50 0 BDAARO C[N@H+](CCNC(=O)N1CCC1(C)C)C1CC1 ZINC000089919473 388373913 /nfs/dbraw/zinc/37/39/13/388373913.db2.gz DJMBUWTXBPFGDH-UHFFFAOYSA-N 1 0 225.336 1.275 50 0 BDAARO c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000067712652 388407064 /nfs/dbraw/zinc/40/70/64/388407064.db2.gz DJOUNCXXLAEDRX-LBPRGKRZSA-N 1 0 218.304 1.057 50 0 BDAARO CC(C)([NH3+])c1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000070948588 388441249 /nfs/dbraw/zinc/44/12/49/388441249.db2.gz GIBZZWQSPUMCPL-UHFFFAOYSA-N 1 0 221.182 1.395 50 0 BDAARO Cc1ccc(OCC[NH2+]C[C@@H](C)O)c(C)c1 ZINC000008753729 388408567 /nfs/dbraw/zinc/40/85/67/388408567.db2.gz RLTAZSDVRDXUJP-GFCCVEGCSA-N 1 0 223.316 1.653 50 0 BDAARO CCCCN(CCOC)c1cc(C)[nH+]c(N)n1 ZINC000068704201 388410657 /nfs/dbraw/zinc/41/06/57/388410657.db2.gz NBHKYAQWQONFJR-UHFFFAOYSA-N 1 0 238.335 1.620 50 0 BDAARO Cc1ccc(CCC(=O)N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000195543868 388479162 /nfs/dbraw/zinc/47/91/62/388479162.db2.gz QQUACUMHYMBRPP-AWEZNQCLSA-N 1 0 246.354 1.796 50 0 BDAARO Cc1cc(C)c(C)c(OCCCNC(N)=[NH2+])c1 ZINC000069708068 388424834 /nfs/dbraw/zinc/42/48/34/388424834.db2.gz ATEJOZGQBJZZBS-UHFFFAOYSA-N 1 0 235.331 1.864 50 0 BDAARO CC(C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069725126 388425372 /nfs/dbraw/zinc/42/53/72/388425372.db2.gz YJWPUCDOXDYKGG-QWRGUYRKSA-N 1 0 212.337 1.618 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000041161869 388432099 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/nfs/dbraw/zinc/33/85/66/132338566.db2.gz WZVIPIYHPMSOHK-UHFFFAOYSA-N 1 0 206.293 1.021 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000037020046 132343335 /nfs/dbraw/zinc/34/33/35/132343335.db2.gz LRPNQZDOUTXNKI-SNVBAGLBSA-N 1 0 248.330 1.358 50 0 BDAARO CCOc1ccnc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000065455042 132390268 /nfs/dbraw/zinc/39/02/68/132390268.db2.gz HEBXHZQFFLYVOJ-LLVKDONJSA-N 1 0 248.330 1.160 50 0 BDAARO COc1cccc(C[NH2+]CCN(C)C)c1 ZINC000019831432 133452521 /nfs/dbraw/zinc/45/25/21/133452521.db2.gz XMQLSZFTTPDIRP-UHFFFAOYSA-N 1 0 208.305 1.346 50 0 BDAARO c1ncn(Cc2ccc(C[NH2+]CC3CC3)cc2)n1 ZINC000066971097 134398033 /nfs/dbraw/zinc/39/80/33/134398033.db2.gz VFSDTHXJYLUDAG-UHFFFAOYSA-N 1 0 242.326 1.826 50 0 BDAARO CCOC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000233647303 134566170 /nfs/dbraw/zinc/56/61/70/134566170.db2.gz RJELEWQGYOGXFH-ONGXEEELSA-N 1 0 215.293 1.097 50 0 BDAARO Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000238850506 135078530 /nfs/dbraw/zinc/07/85/30/135078530.db2.gz BYFUTAMCAMZSLX-NSHDSACASA-N 1 0 235.306 1.692 50 0 BDAARO Cc1ccccc1[C@H]1CN(C(=O)CC[NH3+])CCO1 ZINC000083889171 135459369 /nfs/dbraw/zinc/45/93/69/135459369.db2.gz OJBMYOANXHUUBB-CYBMUJFWSA-N 1 0 248.326 1.244 50 0 BDAARO Cc1cnccc1NC(=O)C1(CF)CCC1 ZINC000335344598 136065622 /nfs/dbraw/zinc/06/56/22/136065622.db2.gz JSOQNFNKOILEFJ-UHFFFAOYSA-N 1 0 222.263 1.890 50 0 BDAARO NC[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000020398405 397964233 /nfs/dbraw/zinc/96/42/33/397964233.db2.gz GQVFSFGUACRUIX-CYBMUJFWSA-N 1 0 204.317 1.652 50 0 BDAARO Cc1ccc(C)c(CN2CC[NH2+]CC2)c1 ZINC000022465505 397973909 /nfs/dbraw/zinc/97/39/09/397973909.db2.gz CFQKZODRQRHNLP-UHFFFAOYSA-N 1 0 204.317 1.709 50 0 BDAARO COCCC[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000075606627 398130959 /nfs/dbraw/zinc/13/09/59/398130959.db2.gz PQKHWDNIWZLAJY-MNOVXSKESA-N 1 0 211.309 1.459 50 0 BDAARO CS[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000670473470 487535954 /nfs/dbraw/zinc/53/59/54/487535954.db2.gz CFUFOAIYDAELKY-JTQLQIEISA-N 1 0 244.404 1.729 50 0 BDAARO Brc1ccc2c(c1)OCC[NH2+]C2 ZINC000085221937 166099070 /nfs/dbraw/zinc/09/90/70/166099070.db2.gz MPNXHSHDIGSPKY-UHFFFAOYSA-N 1 0 228.089 1.931 50 0 BDAARO CCc1ccc[n+](-c2c(C=O)sc(=O)n2C)c1 ZINC000000508158 410814392 /nfs/dbraw/zinc/81/43/92/410814392.db2.gz NUHHRBWFSPXPPW-UHFFFAOYSA-N 1 0 249.315 1.098 50 0 BDAARO CC(C)NC(=O)c1ccc2n1CC[NH2+][C@@H]2C ZINC000032626969 167087966 /nfs/dbraw/zinc/08/79/66/167087966.db2.gz LIRIWSUNPZLBEM-SECBINFHSA-N 1 0 221.304 1.291 50 0 BDAARO CC(C)OCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000059386479 167231859 /nfs/dbraw/zinc/23/18/59/167231859.db2.gz IEQVABYZGWZFHQ-CQSZACIVSA-N 1 0 240.391 1.972 50 0 BDAARO Cc1ncccc1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000108478209 411144739 /nfs/dbraw/zinc/14/47/39/411144739.db2.gz QXCIIZPYKHRBNN-JSGCOSHPSA-N 1 0 234.343 1.983 50 0 BDAARO c1coc(-c2nc([C@@H]3CCC[NH2+]C3)no2)c1 ZINC000062257260 411206059 /nfs/dbraw/zinc/20/60/59/411206059.db2.gz FBGPLEXCQXZQIW-MRVPVSSYSA-N 1 0 219.244 1.797 50 0 BDAARO CC/C=C(/C)C(=O)NCC1CC[NH2+]CC1 ZINC000044503619 167827668 /nfs/dbraw/zinc/82/76/68/167827668.db2.gz GLOIXTODOGQHQE-WMZJFQQLSA-N 1 0 210.321 1.459 50 0 BDAARO CC1(C(=O)NC2CCCC2)CC[NH2+]CC1 ZINC000062839442 167867540 /nfs/dbraw/zinc/86/75/40/167867540.db2.gz HTLGVPPVSWDHEW-UHFFFAOYSA-N 1 0 210.321 1.435 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000221927865 168102951 /nfs/dbraw/zinc/10/29/51/168102951.db2.gz AKFNKWQXZYQMNV-YNEHKIRRSA-N 1 0 236.359 1.786 50 0 BDAARO CC1CCC([NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000016663199 168164721 /nfs/dbraw/zinc/16/47/21/168164721.db2.gz IJOFWIZGODEMMB-HTAVTVPLSA-N 1 0 224.348 1.823 50 0 BDAARO CC(C)[C@H]([NH2+]CC1(O)CCC(C)CC1)C(N)=O ZINC000096491669 168167290 /nfs/dbraw/zinc/16/72/90/168167290.db2.gz DRTRRBWRMXCMID-AKJDGMEZSA-N 1 0 242.363 1.027 50 0 BDAARO CC1CC[NH+](CC(=O)N2CC(CF)C2)CC1 ZINC000335493225 168178135 /nfs/dbraw/zinc/17/81/35/168178135.db2.gz XPJNKDLVQWWBOF-UHFFFAOYSA-N 1 0 228.311 1.146 50 0 BDAARO CC1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000064030610 168178552 /nfs/dbraw/zinc/17/85/52/168178552.db2.gz GXHZJOLMZQTKCO-UHFFFAOYSA-N 1 0 224.348 1.731 50 0 BDAARO CC1CC[NH+](CCNC(=O)NC2CC2)CC1 ZINC000047617029 168180555 /nfs/dbraw/zinc/18/05/55/168180555.db2.gz DSJLTVBWWNRGTO-UHFFFAOYSA-N 1 0 225.336 1.180 50 0 BDAARO CCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000057287886 168230453 /nfs/dbraw/zinc/23/04/53/168230453.db2.gz SWFMLKJUYBVJKN-CYBMUJFWSA-N 1 0 234.343 1.686 50 0 BDAARO CC[N@@H+]1CC[C@H](OC(=O)c2ccc(N)cc2)C1 ZINC000071773742 170022832 /nfs/dbraw/zinc/02/28/32/170022832.db2.gz OITDXBVMPSPZRF-LBPRGKRZSA-N 1 0 234.299 1.520 50 0 BDAARO CC[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000336256410 170041040 /nfs/dbraw/zinc/04/10/40/170041040.db2.gz AGUMVWMAWYHFHF-CHWSQXEVSA-N 1 0 223.291 1.806 50 0 BDAARO CCNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000053159069 170041911 /nfs/dbraw/zinc/04/19/11/170041911.db2.gz VOZBDTLTMKIJSD-UHFFFAOYSA-N 1 0 211.696 1.974 50 0 BDAARO CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069653492 170061434 /nfs/dbraw/zinc/06/14/34/170061434.db2.gz VXAUCTFUKAXLIP-ZDUSSCGKSA-N 1 0 232.327 1.612 50 0 BDAARO CC[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003886914 170109195 /nfs/dbraw/zinc/10/91/95/170109195.db2.gz JJHSEKNXDPQZTE-UHFFFAOYSA-N 1 0 236.271 1.006 50 0 BDAARO CC[NH2+]CCNC(=O)CCc1ccc(F)cc1 ZINC000095971588 170114567 /nfs/dbraw/zinc/11/45/67/170114567.db2.gz NCPOAIWALRGTNE-UHFFFAOYSA-N 1 0 238.306 1.484 50 0 BDAARO CC[NH2+]Cc1ccc(OCCO)c(OC)c1 ZINC000013730840 170127404 /nfs/dbraw/zinc/12/74/04/170127404.db2.gz OZWSSZDJLXKEHF-UHFFFAOYSA-N 1 0 225.288 1.176 50 0 BDAARO CC[NH2+]Cc1cncc(Br)c1 ZINC000034977648 170130519 /nfs/dbraw/zinc/13/05/19/170130519.db2.gz FBGOUYWASCNWHU-UHFFFAOYSA-N 1 0 215.094 1.954 50 0 BDAARO CCOC(=O)C12CCC([NH3+])(CC1)CCC2 ZINC000238302321 170191497 /nfs/dbraw/zinc/19/14/97/170191497.db2.gz CDCSWOZTUIKTDS-UHFFFAOYSA-N 1 0 211.305 1.991 50 0 BDAARO CCOC(=O)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000002559685 170193076 /nfs/dbraw/zinc/19/30/76/170193076.db2.gz MAEZHBHHHAZLBM-UHFFFAOYSA-N 1 0 240.347 1.014 50 0 in-vitro BDAARO CCOC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036667738 170206915 /nfs/dbraw/zinc/20/69/15/170206915.db2.gz IDIXQDLEKMHRAK-PHIMTYICSA-N 1 0 213.321 1.918 50 0 BDAARO CCOC(=O)[C@@H]1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000001322374 170259307 /nfs/dbraw/zinc/25/93/07/170259307.db2.gz RPMFBTVTRSNKTD-CHWSQXEVSA-N 1 0 233.311 1.943 50 0 biogenic BDAARO CCOC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000039240992 170281102 /nfs/dbraw/zinc/28/11/02/170281102.db2.gz ICWZXKPBSHGFEO-QWRGUYRKSA-N 1 0 211.305 1.814 50 0 BDAARO CCOC(=O)c1ccccc1OC1CC[NH2+]CC1 ZINC000042775519 170300354 /nfs/dbraw/zinc/30/03/54/170300354.db2.gz PJJURVKXLBMKHE-UHFFFAOYSA-N 1 0 249.310 1.994 50 0 BDAARO CCOC[C@H](O)C[N@H+](C)C(C1CC1)C1CC1 ZINC000071904872 170451015 /nfs/dbraw/zinc/45/10/15/170451015.db2.gz FTWOSKPPYSBXQF-GFCCVEGCSA-N 1 0 227.348 1.504 50 0 BDAARO CCOc1ccc(CC(N)=[NH2+])cc1OCC ZINC000001437492 170540463 /nfs/dbraw/zinc/54/04/63/170540463.db2.gz WCFNETDVAPPWRV-UHFFFAOYSA-N 1 0 222.288 1.962 50 0 BDAARO CCSCC[NH2+]CCc1nccnc1C ZINC000293657567 170636061 /nfs/dbraw/zinc/63/60/61/170636061.db2.gz NNVJHZJEYDIPKW-UHFFFAOYSA-N 1 0 225.361 1.670 50 0 BDAARO CC[C@@H]([NH2+]Cc1nc(N)n[nH]1)C1CCCC1 ZINC000534587271 411882168 /nfs/dbraw/zinc/88/21/68/411882168.db2.gz JFHOAYCCNCJWBV-SECBINFHSA-N 1 0 223.324 1.445 50 0 BDAARO CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1nccn1C ZINC000183577015 170909568 /nfs/dbraw/zinc/90/95/68/170909568.db2.gz DTFDFKYBAIAJLA-QJPTWQEYSA-N 1 0 235.331 1.398 50 0 BDAARO CC[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000096452814 170928185 /nfs/dbraw/zinc/92/81/85/170928185.db2.gz RDQFWOVOHYJPSJ-DGCLKSJQSA-N 1 0 243.347 1.027 50 0 BDAARO CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055087816 171104009 /nfs/dbraw/zinc/10/40/09/171104009.db2.gz ZPHNRRSHARBPKX-GRYCIOLGSA-N 1 0 240.347 1.141 50 0 BDAARO CC[C@@](C)(CCO)[NH2+]Cc1cnn(C)c1C ZINC000126293220 171167145 /nfs/dbraw/zinc/16/71/45/171167145.db2.gz ZNRJNFKABOFHCF-LBPRGKRZSA-N 1 0 225.336 1.369 50 0 BDAARO CC[C@@]1(C(=O)NC[C@H](C)SC)CC[NH2+]C1 ZINC000122372696 171196468 /nfs/dbraw/zinc/19/64/68/171196468.db2.gz JJQFPSZRFOBAOO-GXSJLCMTSA-N 1 0 230.377 1.244 50 0 BDAARO CC[C@H](C)C(=O)NCc1cccnc1N(C)C ZINC000036392136 171252265 /nfs/dbraw/zinc/25/22/65/171252265.db2.gz OBGNQHBKRIOZCU-JTQLQIEISA-N 1 0 235.331 1.810 50 0 BDAARO CC[C@H](C)NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000035185070 171337986 /nfs/dbraw/zinc/33/79/86/171337986.db2.gz BZQMEGHEMKZQNH-QWRGUYRKSA-N 1 0 243.420 1.733 50 0 BDAARO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CN2CCN1CC2 ZINC000090648011 171389074 /nfs/dbraw/zinc/38/90/74/171389074.db2.gz RZIAIXBWOVJRFH-RWMBFGLXSA-N 1 0 225.380 1.010 50 0 BDAARO CCC[C@@H](CNc1nccnc1OC)[NH+](C)C ZINC000534655498 412364056 /nfs/dbraw/zinc/36/40/56/412364056.db2.gz PKTNXKJFIZYZAR-JTQLQIEISA-N 1 0 238.335 1.627 50 0 BDAARO CCc1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000036719736 171815411 /nfs/dbraw/zinc/81/54/11/171815411.db2.gz XJKNXHPJTSPFRJ-UHFFFAOYSA-N 1 0 230.315 1.390 50 0 BDAARO CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000000285851 171827633 /nfs/dbraw/zinc/82/76/33/171827633.db2.gz OMSWREDBGOSTLF-CYBMUJFWSA-N 1 0 237.343 1.987 50 0 in-vitro BDAARO CCc1nccn1CCC[NH2+][C@H]1CCSC1 ZINC000065387994 172025741 /nfs/dbraw/zinc/02/57/41/172025741.db2.gz OLJWCPJVGQLPEX-NSHDSACASA-N 1 0 239.388 1.931 50 0 BDAARO CCn1c[n+](Cc2ccc(Cl)cc2)cn1 ZINC000252505412 172148854 /nfs/dbraw/zinc/14/88/54/172148854.db2.gz VRFAWQSEYLIURN-UHFFFAOYSA-N 1 0 222.699 1.892 50 0 BDAARO CCn1nc(C)c(C[NH2+]CCOC)c1C ZINC000019089146 172245264 /nfs/dbraw/zinc/24/52/64/172245264.db2.gz ZNINVYRZRSLENF-UHFFFAOYSA-N 1 0 211.309 1.256 50 0 BDAARO CCn1nccc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000253370524 172267439 /nfs/dbraw/zinc/26/74/39/172267439.db2.gz RYCHEEHJNIKPGP-NWDGAFQWSA-N 1 0 237.347 1.496 50 0 BDAARO CN(C(=O)OC(C)(C)C)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000141512976 172325311 /nfs/dbraw/zinc/32/53/11/172325311.db2.gz VGCKWWMMIKCCKU-DTWKUNHWSA-N 1 0 232.299 1.553 50 0 BDAARO CN(C(=O)[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000087297978 172325613 /nfs/dbraw/zinc/32/56/13/172325613.db2.gz LAHNUGWJJBCUNK-NSHDSACASA-N 1 0 204.273 1.307 50 0 BDAARO CN(C)C(=O)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000049582242 172390944 /nfs/dbraw/zinc/39/09/44/172390944.db2.gz JLJOIJXCDPHOAY-LBPRGKRZSA-N 1 0 218.300 1.465 50 0 BDAARO CN1CCC[N@H+](C[C@H](O)c2ccccc2)CC1 ZINC000034118494 173017564 /nfs/dbraw/zinc/01/75/64/173017564.db2.gz DFGYEERMFFUZDK-AWEZNQCLSA-N 1 0 234.343 1.358 50 0 BDAARO C[NH+]1CCN(CC[C@@H](O)c2ccccc2)CC1 ZINC000034726345 173082421 /nfs/dbraw/zinc/08/24/21/173082421.db2.gz NWZJYCPAZYGHLT-CQSZACIVSA-N 1 0 234.343 1.358 50 0 BDAARO C[NH+]1CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000019590008 173084599 /nfs/dbraw/zinc/08/45/99/173084599.db2.gz GOYMLYFAPDSEEC-LBPRGKRZSA-N 1 0 248.326 1.074 50 0 biogenic BDAARO C[N@@H+]1CC[C@@H]2CCN(c3ccc(F)cn3)[C@H]2C1 ZINC000252502831 173132783 /nfs/dbraw/zinc/13/27/83/173132783.db2.gz UUHMAHSQLWEZEB-PWSUYJOCSA-N 1 0 235.306 1.751 50 0 BDAARO CN(Cc1cncs1)C[C@H]1CC[N@H+](C)C1 ZINC000121006158 173144150 /nfs/dbraw/zinc/14/41/50/173144150.db2.gz OFLNOLQYBKDGKM-JTQLQIEISA-N 1 0 225.361 1.527 50 0 BDAARO CNC(=O)CC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000096414917 173249130 /nfs/dbraw/zinc/24/91/30/173249130.db2.gz UZUSSAHZYHCFSU-CYBMUJFWSA-N 1 0 248.370 1.994 50 0 BDAARO CNC(=O)CC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000096414918 173250339 /nfs/dbraw/zinc/25/03/39/173250339.db2.gz UZUSSAHZYHCFSU-ZDUSSCGKSA-N 1 0 248.370 1.994 50 0 BDAARO CNC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069894315 173254793 /nfs/dbraw/zinc/25/47/93/173254793.db2.gz QHGZVHNNVZYXQB-CYBMUJFWSA-N 1 0 232.327 1.612 50 0 BDAARO C[NH2+]C1CCN(C(=O)c2cscc2C)CC1 ZINC000179135429 173322525 /nfs/dbraw/zinc/32/25/25/173322525.db2.gz IVXRDPCDWOGIHZ-UHFFFAOYSA-N 1 0 238.356 1.881 50 0 BDAARO C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000011593865 173338427 /nfs/dbraw/zinc/33/84/27/173338427.db2.gz FXEYGOYVUJFORB-UHFFFAOYSA-N 1 0 228.336 1.853 50 0 BDAARO C[NH2+]CCn1ccnc1-c1ccccc1 ZINC000016941537 173361764 /nfs/dbraw/zinc/36/17/64/173361764.db2.gz FORNTXGZMTXMAR-UHFFFAOYSA-N 1 0 201.273 1.770 50 0 BDAARO C[NH2+]C[C@@H](O)Cn1c(C)c(C)c2ccccc21 ZINC000000818931 173365608 /nfs/dbraw/zinc/36/56/08/173365608.db2.gz LRDKPZRTNVRHLP-GFCCVEGCSA-N 1 0 232.327 1.838 50 0 BDAARO C[NH2+]C[C@H](O)Cn1ccc2ccccc21 ZINC000000818949 173376458 /nfs/dbraw/zinc/37/64/58/173376458.db2.gz CYFIXMHPZSFQFE-NSHDSACASA-N 1 0 204.273 1.222 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(C)cc1 ZINC000211625082 173379843 /nfs/dbraw/zinc/37/98/43/173379843.db2.gz YZRFXMJLGRRODO-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)COc1ccccc1 ZINC000122574428 173380112 /nfs/dbraw/zinc/38/01/12/173380112.db2.gz VQXKMGVESPEGKK-GFCCVEGCSA-N 1 0 248.326 1.276 50 0 BDAARO C[NH2+]C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC000022007311 173383582 /nfs/dbraw/zinc/38/35/82/173383582.db2.gz SAVVFXUMMFHSJC-SECBINFHSA-N 1 0 207.273 1.563 50 0 BDAARO C[NH2+]Cc1nnc(C)n1-c1ccccc1 ZINC000042039759 173397113 /nfs/dbraw/zinc/39/71/13/173397113.db2.gz MZBPDOOLXWDJFC-UHFFFAOYSA-N 1 0 202.261 1.295 50 0 BDAARO COC(=O)CCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000065575406 173554711 /nfs/dbraw/zinc/55/47/11/173554711.db2.gz AFZBHWRHQPRWDO-LBPRGKRZSA-N 1 0 240.347 1.110 50 0 BDAARO COCC[N@H+](C)CCOc1ccccc1 ZINC000053403273 174278655 /nfs/dbraw/zinc/27/86/55/174278655.db2.gz FJVKYVBBTBYAIZ-UHFFFAOYSA-N 1 0 209.289 1.644 50 0 BDAARO COCC[NH2+]CCOc1ccc(Cl)cc1 ZINC000002385123 174333275 /nfs/dbraw/zinc/33/32/75/174333275.db2.gz PYVUAQPEIGRTLF-UHFFFAOYSA-N 1 0 229.707 1.955 50 0 BDAARO COCC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000019881423 174337713 /nfs/dbraw/zinc/33/77/13/174337713.db2.gz MXLZQVIPKPZWMR-JTQLQIEISA-N 1 0 209.289 1.992 50 0 BDAARO COCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000002499341 174340014 /nfs/dbraw/zinc/34/00/14/174340014.db2.gz KCZWUGOVLFXUDH-ZDUSSCGKSA-N 1 0 205.301 1.780 50 0 BDAARO COc1cc2[nH]cc(C(N)=[NH2+])c2cc1OC ZINC000084290475 175018493 /nfs/dbraw/zinc/01/84/93/175018493.db2.gz ZDLSLJNFRLQYCF-UHFFFAOYSA-N 1 0 219.244 1.469 50 0 BDAARO COc1cc2c(c(OC)c1OC)CC[NH2+]CC2 ZINC000020593959 175020490 /nfs/dbraw/zinc/02/04/90/175020490.db2.gz GXKGSTKQWIGJQT-UHFFFAOYSA-N 1 0 237.299 1.401 50 0 BDAARO COc1ccc(/C=C/C2=[NH+]CCN2)cc1 ZINC000002166139 175047344 /nfs/dbraw/zinc/04/73/44/175047344.db2.gz RTPIHRKSRSMASR-QPJJXVBHSA-N 1 0 202.257 1.710 50 0 BDAARO COc1ccc(CC[C@H](C)[NH3+])c(OC)c1 ZINC000000518635 175093743 /nfs/dbraw/zinc/09/37/43/175093743.db2.gz UKBLOGXWMZKKOJ-VIFPVBQESA-N 1 0 209.289 1.984 50 0 biogenic BDAARO COc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000000199287 175099518 /nfs/dbraw/zinc/09/95/18/175099518.db2.gz DBLCBPSGLKZCOO-ZDUSSCGKSA-N 1 0 235.327 1.960 50 0 BDAARO COc1ccc(C[NH2+][C@@H](C)CO)c(OC)c1 ZINC000035603803 175109253 /nfs/dbraw/zinc/10/92/53/175109253.db2.gz QDLHOOXNJBAXCD-VIFPVBQESA-N 1 0 225.288 1.174 50 0 BDAARO COc1ccc(Cl)cc1N1CC[C@@H]([NH3+])C1 ZINC000033427034 175121197 /nfs/dbraw/zinc/12/11/97/175121197.db2.gz SCFKNHKMXXEBQR-SECBINFHSA-N 1 0 226.707 1.886 50 0 BDAARO COc1ccc(NC(=O)C[NH3+])cc1Cl ZINC000011956888 175141102 /nfs/dbraw/zinc/14/11/02/175141102.db2.gz AMXCQRMHTMILMW-UHFFFAOYSA-N 1 0 214.652 1.246 50 0 BDAARO COc1ccc(OC)c([C@@H]2CC[NH2+]C2)c1 ZINC000019088864 175167928 /nfs/dbraw/zinc/16/79/28/175167928.db2.gz CFXGZDPEXFOZFF-SECBINFHSA-N 1 0 207.273 1.781 50 0 BDAARO COc1ccc([C@@H](C[NH3+])N(C)C)cc1OC ZINC000032497097 175178186 /nfs/dbraw/zinc/17/81/86/175178186.db2.gz UEMUYGSFWRCGFY-SNVBAGLBSA-N 1 0 224.304 1.265 50 0 BDAARO COc1ccc([C@H](N)C[NH+]2CCCC2)cc1 ZINC000019254949 175192054 /nfs/dbraw/zinc/19/20/54/175192054.db2.gz PCUWBOCJLTYKKA-CYBMUJFWSA-N 1 0 220.316 1.791 50 0 BDAARO COc1ccc([C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC000012113297 175195470 /nfs/dbraw/zinc/19/54/70/175195470.db2.gz NQXYVDTXOJUWOR-NEPJUHHUSA-N 1 0 207.273 1.133 50 0 BDAARO COc1ccc2c(c1)NC(=O)C[C@H]2C[NH3+] ZINC000057938343 175211917 /nfs/dbraw/zinc/21/19/17/175211917.db2.gz YISLSYGFYZIDGM-ZETCQYMHSA-N 1 0 206.245 1.080 50 0 BDAARO COc1ccc2c(c1)[C@](O)(C[NH3+])CCC2 ZINC000019727255 175217339 /nfs/dbraw/zinc/21/73/39/175217339.db2.gz LNGNAFBJTXOICZ-GFCCVEGCSA-N 1 0 207.273 1.178 50 0 BDAARO COc1cccc(CC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000107914932 175250184 /nfs/dbraw/zinc/25/01/84/175250184.db2.gz FGJHEHZYGPOUHE-GFCCVEGCSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000000268580 175264495 /nfs/dbraw/zinc/26/44/95/175264495.db2.gz IEMDSULAWKUBMN-ZDUSSCGKSA-N 1 0 221.300 1.964 50 0 BDAARO COc1cccc(COC[C@H]2CC[NH2+]C2)c1 ZINC000042774001 175269974 /nfs/dbraw/zinc/26/99/74/175269974.db2.gz RMDVNJMCCQKXDO-LBPRGKRZSA-N 1 0 221.300 1.821 50 0 BDAARO COc1cccc([C@@H](O)C[NH2+]C(C)C)c1 ZINC000012359669 175288973 /nfs/dbraw/zinc/28/89/73/175288973.db2.gz JZRMOFFUDLPSGK-LBPRGKRZSA-N 1 0 209.289 1.727 50 0 biogenic,in-vitro BDAARO COc1ccccc1CC1(O)CC[NH2+]CC1 ZINC000020439043 175321584 /nfs/dbraw/zinc/32/15/84/175321584.db2.gz LDZJHQYHCGZDHV-UHFFFAOYSA-N 1 0 221.300 1.352 50 0 BDAARO COc1ccnc(CN(C)CC[NH+]2CCCC2)c1 ZINC000097085943 175359256 /nfs/dbraw/zinc/35/92/56/175359256.db2.gz VMLJXHVERQGCAK-UHFFFAOYSA-N 1 0 249.358 1.618 50 0 BDAARO C[C@@H](C[NH3+])N(C)C(=O)c1cccc(F)c1Cl ZINC000237461198 175710090 /nfs/dbraw/zinc/71/00/90/175710090.db2.gz SXBNIXSDLVOFOG-ZETCQYMHSA-N 1 0 244.697 1.898 50 0 BDAARO C[C@@H](c1ccccn1)N(C)CC(=O)N(C)C ZINC000095955081 176026937 /nfs/dbraw/zinc/02/69/37/176026937.db2.gz MCNPBQDCQSCOJA-JTQLQIEISA-N 1 0 221.304 1.163 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@]1(O)CCOC1 ZINC000235305251 176052584 /nfs/dbraw/zinc/05/25/84/176052584.db2.gz QFKBIWBIFCGIRN-WZRBSPASSA-N 1 0 227.348 1.552 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC(F)F ZINC000308844864 176067744 /nfs/dbraw/zinc/06/77/44/176067744.db2.gz OWELMBPGDZNTPM-HTQZYQBOSA-N 1 0 220.263 1.370 50 0 BDAARO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000221801845 176084167 /nfs/dbraw/zinc/08/41/67/176084167.db2.gz WVNLXVGHATYAGL-GRYCIOLGSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@H]2CCCCO2)[C@H]1C[NH3+] ZINC000246640170 176094876 /nfs/dbraw/zinc/09/48/76/176094876.db2.gz WWVVNZGEDAPZTG-GRYCIOLGSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)C(F)F)C1 ZINC000225622435 176097904 /nfs/dbraw/zinc/09/79/04/176097904.db2.gz PPEFBDSNTQYAKD-SNVBAGLBSA-N 1 0 248.317 1.880 50 0 BDAARO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1ccccc1 ZINC000071897062 176196334 /nfs/dbraw/zinc/19/63/34/176196334.db2.gz ROGFJQVUPABKGE-TZMCWYRMSA-N 1 0 246.354 1.815 50 0 BDAARO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000003681032 176212516 /nfs/dbraw/zinc/21/25/16/176212516.db2.gz DYCKPDCCXCHIEY-CHWSQXEVSA-N 1 0 226.364 1.487 50 0 BDAARO C[C@@H]1CN(C(=O)CC[NH3+])C[C@H](c2ccccc2)O1 ZINC000237409971 176245374 /nfs/dbraw/zinc/24/53/74/176245374.db2.gz CZICPUCKKAHRMD-DGCLKSJQSA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)Cc1cccnc1 ZINC000095440456 176270425 /nfs/dbraw/zinc/27/04/25/176270425.db2.gz HBWVXUKWEFNEHD-VXGBXAGGSA-N 1 0 247.342 1.175 50 0 BDAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1n1[nH]c(=O)cc1N ZINC000003882288 176279265 /nfs/dbraw/zinc/27/92/65/176279265.db2.gz KERAHEXBXSFFAC-HLTSFMKQSA-N 1 0 224.308 1.072 50 0 BDAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(F)ccc1F ZINC000054370077 176326535 /nfs/dbraw/zinc/32/65/35/176326535.db2.gz AMJOERQHFXOVMY-MRVPVSSYSA-N 1 0 240.253 1.399 50 0 BDAARO C[C@@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000023508777 176329738 /nfs/dbraw/zinc/32/97/38/176329738.db2.gz BKITXDSDJGOXPN-HTQZYQBOSA-N 1 0 200.282 1.119 50 0 BDAARO C[C@@H]1c2ccccc2CN1CC1=[NH+]CCN1 ZINC000000024559 176505409 /nfs/dbraw/zinc/50/54/09/176505409.db2.gz SGOFAUSEYBZKDQ-SNVBAGLBSA-N 1 0 215.300 1.565 50 0 in-vivo BDAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000069725158 176772955 /nfs/dbraw/zinc/77/29/55/176772955.db2.gz BVXLJWNAGBHENA-UWVGGRQHSA-N 1 0 222.288 1.479 50 0 BDAARO C[C@H]([NH2+]Cc1cccn1C)C1CCOCC1 ZINC000089894400 176877914 /nfs/dbraw/zinc/87/79/14/176877914.db2.gz OQWDHMXMYZVQIS-NSHDSACASA-N 1 0 222.332 1.930 50 0 BDAARO C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000014193903 177073767 /nfs/dbraw/zinc/07/37/67/177073767.db2.gz HQWGGXJUONXMLN-NSHDSACASA-N 1 0 224.348 1.920 50 0 BDAARO C[C@H]1CCCC[C@@H]1OCC(=O)N1CC[C@H]([NH3+])C1 ZINC000132690088 177083649 /nfs/dbraw/zinc/08/36/49/177083649.db2.gz KYNCUGOBBODYQY-SRVKXCTJSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@H]1CCCN(C(=O)c2ccsc2)[C@H]1C[NH3+] ZINC000069726138 177095170 /nfs/dbraw/zinc/09/51/70/177095170.db2.gz KBAZJDVDNLAWNF-ONGXEEELSA-N 1 0 238.356 1.948 50 0 BDAARO C[C@H]1CC[NH2+]CCN1Cc1ccccc1 ZINC000062569213 177174802 /nfs/dbraw/zinc/17/48/02/177174802.db2.gz RGKDAJPPEVSFBH-LBPRGKRZSA-N 1 0 204.317 1.870 50 0 BDAARO C[C@H]1CC[C@H]([NH+]2CCC(C(N)=O)CC2)C1 ZINC000000757195 177203249 /nfs/dbraw/zinc/20/32/49/177203249.db2.gz UIRHXVCMGIHNGY-ONGXEEELSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000022130031 177222208 /nfs/dbraw/zinc/22/22/08/177222208.db2.gz UMBWKSXEVUZEMI-IUCAKERBSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]1CN(CC[NH2+]C2CCCC2)C[C@H](C)O1 ZINC000037405024 177253139 /nfs/dbraw/zinc/25/31/39/177253139.db2.gz KDAYUSIGTBIDJR-TXEJJXNPSA-N 1 0 226.364 1.628 50 0 BDAARO C[C@@H]1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H](C)O1 ZINC000020726004 177258500 /nfs/dbraw/zinc/25/85/00/177258500.db2.gz FDYNXVJAZKQTGN-TUAOUCFPSA-N 1 0 245.363 1.272 50 0 BDAARO C[C@H]1C[NH2+]CCN1C[C@@H](O)c1ccccc1 ZINC000083350678 177283901 /nfs/dbraw/zinc/28/39/01/177283901.db2.gz OFTPWUUIHZKGMS-WCQYABFASA-N 1 0 220.316 1.014 50 0 BDAARO Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)o1 ZINC000046274699 487676088 /nfs/dbraw/zinc/67/60/88/487676088.db2.gz FWWNRBJFYTWDSR-QMMMGPOBSA-N 1 0 210.277 1.268 50 0 BDAARO CC[N@H+](C)C1(CNC(=O)CSC)CCCC1 ZINC000534579007 323153839 /nfs/dbraw/zinc/15/38/39/323153839.db2.gz IASDOPIILOXLSR-UHFFFAOYSA-N 1 0 244.404 1.730 50 0 BDAARO c1cn(CC[NH2+][C@@H]2CCc3ccccc3C2)nn1 ZINC000123683346 323172351 /nfs/dbraw/zinc/17/23/51/323172351.db2.gz SNDJSRBKNOXQRL-CQSZACIVSA-N 1 0 242.326 1.425 50 0 BDAARO O[C@H]1CCC=CCC[C@@H]1[NH+]1CCOCC1 ZINC000536954797 323963449 /nfs/dbraw/zinc/96/34/49/323963449.db2.gz MFKWRYOIVPEJQW-RYUDHWBXSA-N 1 0 211.305 1.178 50 0 BDAARO COc1ncnc(N)c1C[NH2+]C1CCCCC1 ZINC000083915161 487966361 /nfs/dbraw/zinc/96/63/61/487966361.db2.gz DJROMJRROBLWON-UHFFFAOYSA-N 1 0 236.319 1.490 50 0 BDAARO CCC(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000072254398 325131446 /nfs/dbraw/zinc/13/14/46/325131446.db2.gz UVQAQYKQUNYTOJ-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO CCC1=NO[C@H](CN2CCc3nc(C)[nH]c3C2)C1 ZINC000670433921 487485624 /nfs/dbraw/zinc/48/56/24/487485624.db2.gz DXHUNOPLFRMNKB-NSHDSACASA-N 1 0 248.330 1.631 50 0 BDAARO C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]1 ZINC000062188735 487496382 /nfs/dbraw/zinc/49/63/82/487496382.db2.gz BYIXBWZOSAKZHL-WCQYABFASA-N 1 0 232.327 1.486 50 0 BDAARO CN(CCc1ccccn1)c1ncccc1C[NH3+] ZINC000019843937 487501592 /nfs/dbraw/zinc/50/15/92/487501592.db2.gz GWELJFVMEFUFBK-UHFFFAOYSA-N 1 0 242.326 1.614 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2C[NH2+]CC[C@H]21 ZINC000066309110 490247554 /nfs/dbraw/zinc/24/75/54/490247554.db2.gz HMLJDLIVSQQLPO-VHSXEESVSA-N 1 0 226.320 1.605 50 0 BDAARO Cn1ccnc1-c1n[nH]c2c1CC[C@@H]1C[NH2+]C[C@H]21 ZINC000077010688 490326902 /nfs/dbraw/zinc/32/69/02/490326902.db2.gz BCZLLHJOYYXXRG-SCZZXKLOSA-N 1 0 243.314 1.059 50 0 BDAARO CCC[C@@H](O)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000084024471 490363156 /nfs/dbraw/zinc/36/31/56/490363156.db2.gz ATTNXHRUTPONLW-GFCCVEGCSA-N 1 0 233.315 1.814 50 0 BDAARO COC[C@@H](C)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000053172626 490404850 /nfs/dbraw/zinc/40/48/50/490404850.db2.gz WUPGOMGSIRFYKF-NEPJUHHUSA-N 1 0 231.336 1.197 50 0 BDAARO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000069036113 491106869 /nfs/dbraw/zinc/10/68/69/491106869.db2.gz QCMOKYGCJWFHBU-LBPRGKRZSA-N 1 0 226.364 1.879 50 0 BDAARO COC[C@@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000242047818 522229173 /nfs/dbraw/zinc/22/91/73/522229173.db2.gz VQIYFJOAKKHWII-GHMZBOCLSA-N 1 0 228.336 1.012 50 0 BDAARO Cc1ccc2c(c1)[C@H]([NH2+]CCOCCO)[C@H](C)C2 ZINC000097233849 518190088 /nfs/dbraw/zinc/19/00/88/518190088.db2.gz VSJIXJMPRNSRRS-IUODEOHRSA-N 1 0 249.354 1.827 50 0 BDAARO COCc1ccccc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179070197 523088241 /nfs/dbraw/zinc/08/82/41/523088241.db2.gz ZVQSPOOELNVQPR-GFCCVEGCSA-N 1 0 248.326 1.267 50 0 BDAARO CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000158987850 523593053 /nfs/dbraw/zinc/59/30/53/523593053.db2.gz YHZRBPQGMYFBOG-MBNYWOFBSA-N 1 0 238.375 1.881 50 0 BDAARO COC(=O)[C@]1(C)CC[N@@H+]([C@H]2CCCC[C@@H]2O)C1 ZINC000245338972 524010522 /nfs/dbraw/zinc/01/05/22/524010522.db2.gz PSTYTNIKHJPIFB-GMXVVIOVSA-N 1 0 241.331 1.175 50 0 BDAARO C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCO2)C1 ZINC000248765662 524090130 /nfs/dbraw/zinc/09/01/30/524090130.db2.gz OFDHKJCTKNUNHD-NWDGAFQWSA-N 1 0 240.347 1.014 50 0 BDAARO C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000257711124 524298065 /nfs/dbraw/zinc/29/80/65/524298065.db2.gz CTGFMMOQFLSOGD-NWDGAFQWSA-N 1 0 240.347 1.267 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C/c2ccccn2)C[C@@H](C)[NH2+]1 ZINC000153470037 524738610 /nfs/dbraw/zinc/73/86/10/524738610.db2.gz SOZVITYTAFQRKW-BYAJROORSA-N 1 0 245.326 1.304 50 0 BDAARO C[C@@H]1C[N@H+](C[C@H]2CCCCO2)[C@H](C)CO1 ZINC000247974856 524975908 /nfs/dbraw/zinc/97/59/08/524975908.db2.gz USXZGNLJLFECDB-IJLUTSLNSA-N 1 0 213.321 1.665 50 0 BDAARO C[C@]1(O)[C@@H]2COC[C@@H]2CC[C@H]1[NH+]1CCCCC1 ZINC000239310236 525313679 /nfs/dbraw/zinc/31/36/79/525313679.db2.gz IGEZJEREOXOJJR-DGAVXFQQSA-N 1 0 239.359 1.648 50 0 BDAARO Cc1cnn(C[C@@H](C)[NH2+]Cc2cc(C)no2)c1 ZINC000069599105 526264055 /nfs/dbraw/zinc/26/40/55/526264055.db2.gz YHQAUAYLBUGHIQ-LLVKDONJSA-N 1 0 234.303 1.666 50 0 BDAARO Cn1ccnc1CN(C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000244795833 527430882 /nfs/dbraw/zinc/43/08/82/527430882.db2.gz ROJZHKPHVZPZRF-CYBMUJFWSA-N 1 0 248.374 1.479 50 0 BDAARO Cn1nccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218618 527610594 /nfs/dbraw/zinc/61/05/94/527610594.db2.gz WYHBDEPNKJCNRN-CYBMUJFWSA-N 1 0 245.326 1.113 50 0 BDAARO CCC([NH3+])(CC)CNC(=O)NC(C)(C)C ZINC000168499956 535189608 /nfs/dbraw/zinc/18/96/08/535189608.db2.gz PIGAEUUYDYRTQK-UHFFFAOYSA-N 1 0 215.341 1.602 50 0 BDAARO C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000864092694 589343927 /nfs/dbraw/zinc/34/39/27/589343927.db2.gz UHCUABREDFTWMZ-KCJUWKMLSA-N 1 0 239.344 1.989 50 0 BDAARO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000864092696 589344021 /nfs/dbraw/zinc/34/40/21/589344021.db2.gz UHCUABREDFTWMZ-LDYMZIIASA-N 1 0 239.344 1.989 50 0 BDAARO Cn1cccc1C[NH2+][C@H]1CCCCC[C@H]1C(N)=O ZINC000097113882 631293028 /nfs/dbraw/zinc/29/30/28/631293028.db2.gz GMHFUSBNEPRTEU-OLZOCXBDSA-N 1 0 249.358 1.549 50 0 BDAARO CN(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000000199380 642750271 /nfs/dbraw/zinc/75/02/71/642750271.db2.gz DWPXXCBLOAGELH-UHFFFAOYSA-N 1 0 208.305 1.806 50 0 BDAARO CC/C=C(\C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000082641477 643356738 /nfs/dbraw/zinc/35/67/38/643356738.db2.gz VNLCUFUENCTAFX-RUYJGKKWSA-N 1 0 210.321 1.683 50 0 BDAARO CC[C@H](Cn1ccnc1)[NH2+]Cc1ccccn1 ZINC000952985272 644446441 /nfs/dbraw/zinc/44/64/41/644446441.db2.gz ANIMSMKOMNHZJR-GFCCVEGCSA-N 1 0 230.315 1.847 50 0 BDAARO c1ccc(CN2CCOC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000952986106 644448763 /nfs/dbraw/zinc/44/87/63/644448763.db2.gz HSZFXCXOHYWGQJ-HUUCEWRRSA-N 1 0 246.354 1.497 50 0 BDAARO OC[C@H]1CCCCN1CC[NH2+]Cc1ccncc1 ZINC000952988519 644449250 /nfs/dbraw/zinc/44/92/50/644449250.db2.gz QKBPARQXAMJWJS-CQSZACIVSA-N 1 0 249.358 1.018 50 0 BDAARO CC[C@H]([NH3+])[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000958528431 644807450 /nfs/dbraw/zinc/80/74/50/644807450.db2.gz OSVAGXQNSGDYID-JOYOIKCWSA-N 1 0 244.335 1.096 50 0 BDAARO Cc1occc1C[NH2+]C1(CC(N)=O)CCC1 ZINC000414437529 644860148 /nfs/dbraw/zinc/86/01/48/644860148.db2.gz TYITXRFFPIYEDW-UHFFFAOYSA-N 1 0 222.288 1.476 50 0 BDAARO COC(=O)C1CC([NH2+]C2CCCCC2)C1 ZINC000725376426 711664660 /nfs/dbraw/zinc/66/46/60/711664660.db2.gz ACDASSCXHUIHAV-UHFFFAOYSA-N 1 0 211.305 1.860 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1CC[NH2+]C[C@H]1N ZINC000757213845 712583189 /nfs/dbraw/zinc/58/31/89/712583189.db2.gz RHBKAVMFHZSMQX-MWLCHTKSSA-N 1 0 230.315 1.276 50 0 BDAARO C[NH+]1CCC(COc2ncccn2)CC1 ZINC000585651315 973919820 /nfs/dbraw/zinc/91/98/20/973919820.db2.gz NDGMJHJCMCRYIQ-UHFFFAOYSA-N 1 0 207.277 1.197 50 0 BDAARO [NH3+]C12CCC(C(=O)N3CCCC3)(CC1)CC2 ZINC000404253240 971151755 /nfs/dbraw/zinc/15/17/55/971151755.db2.gz CQVDAUGVVUJGMB-UHFFFAOYSA-N 1 0 222.332 1.661 50 0 BDAARO C=CC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000585079653 972112360 /nfs/dbraw/zinc/11/23/60/972112360.db2.gz KTPWXIOIRRYENQ-LLVKDONJSA-N 1 0 236.315 1.965 50 0 BDAARO CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NC)cc1C ZINC000037004187 960640176 /nfs/dbraw/zinc/64/01/76/960640176.db2.gz MWKBIYOPDWDOBL-JTQLQIEISA-N 1 0 249.314 1.030 50 0 BDAARO Cc1nccn1CC[C@@H](C)[NH2+]CCc1ncc[nH]1 ZINC000821181749 968485003 /nfs/dbraw/zinc/48/50/03/968485003.db2.gz KNZZNSHRQKBIEN-LLVKDONJSA-N 1 0 247.346 1.526 50 0 BDAARO CC/C=C\CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000822293501 968514877 /nfs/dbraw/zinc/51/48/77/968514877.db2.gz BPKYKRCHUAJUSW-IBPBTGAJSA-N 1 0 226.364 1.340 50 0 BDAARO CCOC1CC[NH+](CCn2cnnc2C)CC1 ZINC000823310746 968543142 /nfs/dbraw/zinc/54/31/42/968543142.db2.gz FQYQXJQZNMRMCX-UHFFFAOYSA-N 1 0 238.335 1.087 50 0 BDAARO CCC1=NO[C@@H](C[NH+]2CCC(COC)CC2)C1 ZINC000824372334 968595279 /nfs/dbraw/zinc/59/52/79/968595279.db2.gz YXZCTHRMOFKNHE-CYBMUJFWSA-N 1 0 240.347 1.900 50 0 BDAARO Cc1ncn(CCNC(=O)NC(C)(C)C)c1C ZINC000827989613 968738061 /nfs/dbraw/zinc/73/80/61/968738061.db2.gz BVPNZRIZOMUKDN-UHFFFAOYSA-N 1 0 238.335 1.598 50 0 BDAARO Cc1nsc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])n1 ZINC000585652146 973916675 /nfs/dbraw/zinc/91/66/75/973916675.db2.gz LHHWWERXNWWLKT-GHMZBOCLSA-N 1 0 247.323 1.850 50 0 BDAARO Fc1cnc(O[C@@H]2C[NH+]3CCC2CC3)nc1 ZINC000585651922 973918342 /nfs/dbraw/zinc/91/83/42/973918342.db2.gz RIWRMSJHOAGMQK-SNVBAGLBSA-N 1 0 223.251 1.089 50 0 BDAARO Cc1cncc(OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000585652320 973920423 /nfs/dbraw/zinc/92/04/23/973920423.db2.gz XGNVSXDIMWAWTI-FOSCPWQOSA-N 1 0 233.315 1.789 50 0 BDAARO C[N@@H+]1CCC[C@H]1COc1ncccc1F ZINC000585654306 973926431 /nfs/dbraw/zinc/92/64/31/973926431.db2.gz QNQAKPWLDFEXJD-VIFPVBQESA-N 1 0 210.252 1.694 50 0 BDAARO OC[C@H]1CCC[N@@H+]1Cc1cccn1C(F)F ZINC000952848221 974052524 /nfs/dbraw/zinc/05/25/24/974052524.db2.gz DBNSLMXKHVTFSB-SNVBAGLBSA-N 1 0 230.258 1.840 50 0 BDAARO C=CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000952888354 974067062 /nfs/dbraw/zinc/06/70/62/974067062.db2.gz VXAIHIPQUQLGFM-QWRGUYRKSA-N 1 0 210.321 1.504 50 0 BDAARO C[C@@H]1C[C@@H]([NH2+]Cc2cnsc2)CCO1 ZINC000687225794 985272473 /nfs/dbraw/zinc/27/24/73/985272473.db2.gz WZGAXPUOLGUNQU-SCZZXKLOSA-N 1 0 212.318 1.800 50 0 BDAARO Nc1nc(CCC[NH2+]Cc2cnc[nH]2)cs1 ZINC001506406480 988775337 /nfs/dbraw/zinc/77/53/37/988775337.db2.gz LMRMSCSMTRMXNG-UHFFFAOYSA-N 1 0 237.332 1.171 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CN1CCSCC1 ZINC001506412299 988778365 /nfs/dbraw/zinc/77/83/65/988778365.db2.gz WHJNDNNQMBDTAD-NSHDSACASA-N 1 0 214.378 1.520 50 0 BDAARO CC(C)c1ccc(N2CC[C@H](C[NH+](C)C)C2)nn1 ZINC001506422626 988778960 /nfs/dbraw/zinc/77/89/60/988778960.db2.gz DXLIPHNHNAGBDU-GFCCVEGCSA-N 1 0 248.374 1.988 50 0 BDAARO Cc1nncn1CC[N@@H+](C)CCc1ccccn1 ZINC001506422740 988780752 /nfs/dbraw/zinc/78/07/52/988780752.db2.gz DCRWRFMHRZKIRL-UHFFFAOYSA-N 1 0 245.330 1.156 50 0 BDAARO OC[C@@H](Cc1c[nH]cn1)[NH2+]Cc1ccccc1 ZINC000019093981 136208385 /nfs/dbraw/zinc/20/83/85/136208385.db2.gz ARSAGVGSZLEXHZ-CYBMUJFWSA-N 1 0 231.299 1.103 50 0 BDAARO CC(C)([NH3+])COc1ncccc1Br ZINC000070838459 398139894 /nfs/dbraw/zinc/13/98/94/398139894.db2.gz IWVDTWLXFNKAOD-UHFFFAOYSA-N 1 0 245.120 1.960 50 0 BDAARO CCc1c(C)nc([C@](C)([NH3+])CC)[nH]c1=O ZINC000070948769 398142488 /nfs/dbraw/zinc/14/24/88/398142488.db2.gz SKCJYXKKFAZHCF-LLVKDONJSA-N 1 0 209.293 1.225 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2CC[NH2+]C[C@@H]21 ZINC000071373404 398148074 /nfs/dbraw/zinc/14/80/74/398148074.db2.gz KFOSBANHALBORK-UWVGGRQHSA-N 1 0 226.320 1.605 50 0 BDAARO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000135216154 178076389 /nfs/dbraw/zinc/07/63/89/178076389.db2.gz HGUZLNVGAMQIPI-GFCCVEGCSA-N 1 0 236.290 1.616 50 0 BDAARO CC[N@@H+]1CCc2nc(C)c(C(=O)OC)cc2C1 ZINC000526059796 361738349 /nfs/dbraw/zinc/73/83/49/361738349.db2.gz GRESTZBWNHJYLC-UHFFFAOYSA-N 1 0 234.299 1.555 50 0 BDAARO FC(F)(F)CCNC1=[NH+]CCCCN1 ZINC000521396941 259304002 /nfs/dbraw/zinc/30/40/02/259304002.db2.gz MAXHWBOJXBTWBP-UHFFFAOYSA-N 1 0 209.215 1.268 50 0 BDAARO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000037262833 361795337 /nfs/dbraw/zinc/79/53/37/361795337.db2.gz VBYFMUOQFLICQV-WDEREUQCSA-N 1 0 228.336 1.058 50 0 BDAARO CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022454583 398238090 /nfs/dbraw/zinc/23/80/90/398238090.db2.gz MGBUFZZSXMCADL-UHFFFAOYSA-N 1 0 204.317 1.824 50 0 BDAARO COC(=O)C1(NCC2CCOCC2)CCC1 ZINC000097109605 398238781 /nfs/dbraw/zinc/23/87/81/398238781.db2.gz TXFHRMXEIRHOCR-UHFFFAOYSA-N 1 0 227.304 1.098 50 0 BDAARO Cc1ccc(-c2noc(CC[NH3+])n2)cc1 ZINC000015417121 178343974 /nfs/dbraw/zinc/34/39/74/178343974.db2.gz IAKNVFODBBNBHI-UHFFFAOYSA-N 1 0 203.245 1.546 50 0 BDAARO Cc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1C ZINC000158429969 178379550 /nfs/dbraw/zinc/37/95/50/178379550.db2.gz MOHILYANBJXRRZ-NSHDSACASA-N 1 0 220.316 1.723 50 0 BDAARO CCOc1ccccc1OC[C@H](O)C[NH2+]C ZINC000000322087 342683360 /nfs/dbraw/zinc/68/33/60/342683360.db2.gz HVHAKWVTUGYANI-SNVBAGLBSA-N 1 0 225.288 1.044 50 0 BDAARO OCc1cccc[n+]1CCc1ccccc1 ZINC000000480069 342688611 /nfs/dbraw/zinc/68/86/11/342688611.db2.gz UBVAUDSYAZGUDY-UHFFFAOYSA-N 1 0 214.288 1.709 50 0 BDAARO Cc1ccc2cc(C[NH2+]CCCO)c(=O)[nH]c2c1 ZINC000002391951 342720048 /nfs/dbraw/zinc/72/00/48/342720048.db2.gz IEJIICQQAFWNDG-UHFFFAOYSA-N 1 0 246.310 1.309 50 0 BDAARO c1nc2c([nH]1)[C@H](c1ccc3c(c1)OCO3)[NH2+]CC2 ZINC000001730853 342711661 /nfs/dbraw/zinc/71/16/61/342711661.db2.gz UIXFLQKJUPTGRF-LBPRGKRZSA-N 1 0 243.266 1.374 50 0 biogenic BDAARO CC[NH+](CC)CCCNC(=O)c1ccc(N)cc1 ZINC000001733839 342711725 /nfs/dbraw/zinc/71/17/25/342711725.db2.gz CAZRUCADWYKNSP-UHFFFAOYSA-N 1 0 249.358 1.731 50 0 BDAARO CC[NH+](CC)CCn1c2ccccc2oc1=O ZINC000002038260 342715177 /nfs/dbraw/zinc/71/51/77/342715177.db2.gz WPVTWBXAFLMBDZ-UHFFFAOYSA-N 1 0 234.299 1.936 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H](C[NH3+])C1 ZINC000004203031 342743920 /nfs/dbraw/zinc/74/39/20/342743920.db2.gz OGCCBDIYOAFOGK-MRVPVSSYSA-N 1 0 200.282 1.202 50 0 BDAARO Cc1c([C@H](C)[NH3+])cnn1-c1ccccn1 ZINC000004343455 342746897 /nfs/dbraw/zinc/74/68/97/342746897.db2.gz OGRPHIGFGXFUOU-QMMMGPOBSA-N 1 0 202.261 1.595 50 0 BDAARO C[C@H](O)C[NH2+]Cc1ccc(Br)cc1 ZINC000004480524 342748287 /nfs/dbraw/zinc/74/82/87/342748287.db2.gz IHROTJHEXIOMFJ-QMMMGPOBSA-N 1 0 244.132 1.920 50 0 BDAARO Cn1c2ccc(N)cc2[nH+]c1CCCO ZINC000004859359 342753472 /nfs/dbraw/zinc/75/34/72/342753472.db2.gz MOTAGPUCSMKTQT-UHFFFAOYSA-N 1 0 205.261 1.080 50 0 BDAARO CCOc1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000004992663 342756013 /nfs/dbraw/zinc/75/60/13/342756013.db2.gz MYTZPNLNGSEWEG-SNVBAGLBSA-N 1 0 209.289 1.728 50 0 BDAARO C[C@H](O)CCc1[nH+]c2cc(N)ccc2n1C ZINC000006298741 342776019 /nfs/dbraw/zinc/77/60/19/342776019.db2.gz WZUSJACFSYAJSQ-QMMMGPOBSA-N 1 0 219.288 1.469 50 0 BDAARO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)cn1 ZINC000002536039 342805814 /nfs/dbraw/zinc/80/58/14/342805814.db2.gz KEBJQAFHFAYUDM-UHFFFAOYSA-N 1 0 245.282 1.439 50 0 BDAARO C[C@@H]1CCC[C@H]2CCC[N@H+](CC(N)=O)[C@H]12 ZINC000048326374 539008041 /nfs/dbraw/zinc/00/80/41/539008041.db2.gz GNVFJLRIGNOVOF-JFGNBEQYSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@H](C[NH2+]CCOCCO)c1ccccc1 ZINC000010436484 342836300 /nfs/dbraw/zinc/83/63/00/342836300.db2.gz DVJBCXIXTVUYON-GFCCVEGCSA-N 1 0 223.316 1.389 50 0 BDAARO COc1ccc([C@@H]([NH3+])c2nccn2C)cc1OC ZINC000011735165 342843100 /nfs/dbraw/zinc/84/31/00/342843100.db2.gz NHMUKGGWACKCJY-GFCCVEGCSA-N 1 0 247.298 1.485 50 0 BDAARO Cc1cc(C=O)c(C)n1CCC[NH+](C)C ZINC000013633465 342869132 /nfs/dbraw/zinc/86/91/32/342869132.db2.gz DIJGFGPWSCMCCL-UHFFFAOYSA-N 1 0 208.305 1.869 50 0 BDAARO Cn1cccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000096446403 398318105 /nfs/dbraw/zinc/31/81/05/398318105.db2.gz GLFIBYRNVALXLN-LLVKDONJSA-N 1 0 220.272 1.441 50 0 BDAARO COC(=O)Cc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC000014632253 342883364 /nfs/dbraw/zinc/88/33/64/342883364.db2.gz ISWDBSTZMCWVHG-GFCCVEGCSA-N 1 0 235.283 1.143 50 0 BDAARO CC[NH+]1CCC(NC(=O)C2CCCC2)CC1 ZINC000016603331 342913360 /nfs/dbraw/zinc/91/33/60/342913360.db2.gz RZZGVEAKCOVVEP-UHFFFAOYSA-N 1 0 224.348 1.777 50 0 BDAARO CC[C@H](OC)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068179444 398329473 /nfs/dbraw/zinc/32/94/73/398329473.db2.gz BELCXOAPSHYPIZ-LBPRGKRZSA-N 1 0 240.347 1.154 50 0 BDAARO Cc1ccc(OCCCN2CC[NH2+]CC2)c(C)c1 ZINC000019201243 342943458 /nfs/dbraw/zinc/94/34/58/342943458.db2.gz HPCCBWZFGNSGSD-UHFFFAOYSA-N 1 0 248.370 1.978 50 0 BDAARO CC(=O)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000019228824 342944168 /nfs/dbraw/zinc/94/41/68/342944168.db2.gz CUBJWUIMKZQYKM-GFCCVEGCSA-N 1 0 210.321 1.341 50 0 BDAARO [NH3+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000019254766 342944463 /nfs/dbraw/zinc/94/44/63/342944463.db2.gz VUIBEGUIHTWDKC-NSHDSACASA-N 1 0 204.273 1.309 50 0 BDAARO NC(=O)[C@H]1CCCN1Cc1ccc2c(c1)CCO2 ZINC000171992327 398344996 /nfs/dbraw/zinc/34/49/96/398344996.db2.gz QLYOZVGISZQXRM-GFCCVEGCSA-N 1 0 246.310 1.071 50 0 BDAARO CN(C)c1cccc(C2CC[NH2+]CC2)n1 ZINC000019686783 342953925 /nfs/dbraw/zinc/95/39/25/342953925.db2.gz XLMPQQKHANTLRJ-UHFFFAOYSA-N 1 0 205.305 1.615 50 0 BDAARO CN(C)c1nccnc1C1CC[NH2+]CC1 ZINC000019686757 342953940 /nfs/dbraw/zinc/95/39/40/342953940.db2.gz NWEYDRLUKHCJJP-UHFFFAOYSA-N 1 0 206.293 1.010 50 0 BDAARO CC(C)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000012381916 346897668 /nfs/dbraw/zinc/89/76/68/346897668.db2.gz IBKHNBXRNXZENX-UHFFFAOYSA-N 1 0 212.337 1.631 50 0 BDAARO CC1(C)CN2CC[NH2+]C[C@@H]2c2ccccc21 ZINC000019789150 342957915 /nfs/dbraw/zinc/95/79/15/342957915.db2.gz SABHPMOMOJRGIF-CYBMUJFWSA-N 1 0 216.328 1.924 50 0 BDAARO Clc1cccc(CCN2CC[NH2+]CC2)c1 ZINC000019801189 342958261 /nfs/dbraw/zinc/95/82/61/342958261.db2.gz CLKQGHYYLMDFID-UHFFFAOYSA-N 1 0 224.735 1.788 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)nc1 ZINC000020282680 342980323 /nfs/dbraw/zinc/98/03/23/342980323.db2.gz LECYFWHVJWEUFK-VIFPVBQESA-N 1 0 205.261 1.081 50 0 BDAARO COc1cc(OC)cc([C@H]2CC[NH2+]C2)c1 ZINC000034319032 133457379 /nfs/dbraw/zinc/45/73/79/133457379.db2.gz HAJKRJTVGSUQQF-VIFPVBQESA-N 1 0 207.273 1.781 50 0 BDAARO Cc1occc1C(=O)N1CCC([NH3+])CC1 ZINC000021966077 343031591 /nfs/dbraw/zinc/03/15/91/343031591.db2.gz ARUYSXQPPXDCNA-UHFFFAOYSA-N 1 0 208.261 1.151 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CC[C@H]21 ZINC000022016007 343035564 /nfs/dbraw/zinc/03/55/64/343035564.db2.gz RVRRDUVETGVTPA-RKDXNWHRSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]CC[C@@H]21 ZINC000022015996 343035598 /nfs/dbraw/zinc/03/55/98/343035598.db2.gz RVRRDUVETGVTPA-BDAKNGLRSA-N 1 0 212.293 1.358 50 0 BDAARO COc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000022591334 343052277 /nfs/dbraw/zinc/05/22/77/343052277.db2.gz HOTCLSWOJLOASX-UHFFFAOYSA-N 1 0 234.343 1.833 50 0 BDAARO Cc1ccc2oc(N3CCC([NH3+])CC3)nc2n1 ZINC000022637910 343052320 /nfs/dbraw/zinc/05/23/20/343052320.db2.gz NVBQPBYJCQAEAM-UHFFFAOYSA-N 1 0 232.287 1.459 50 0 BDAARO O=C1NCCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000023283349 343063090 /nfs/dbraw/zinc/06/30/90/343063090.db2.gz WCZQTRRXOVQQAY-AWEZNQCLSA-N 1 0 244.338 1.412 50 0 BDAARO CC[NH+](CC)CCn1c(=O)oc2cccnc21 ZINC000027555408 343120971 /nfs/dbraw/zinc/12/09/71/343120971.db2.gz LPWFNZZAYMIPFS-UHFFFAOYSA-N 1 0 235.287 1.331 50 0 BDAARO CC[C@H]1CN(Cc2ccc(C(N)=O)cc2)CCO1 ZINC000027116795 343112898 /nfs/dbraw/zinc/11/28/98/343112898.db2.gz SUYIAHPAENJZIB-ZDUSSCGKSA-N 1 0 248.326 1.396 50 0 BDAARO C[C@@H](C(N)=O)[N@H+](C)CCCOc1ccccc1 ZINC000029852868 343147312 /nfs/dbraw/zinc/14/73/12/343147312.db2.gz HYQBCBAMNZXWPN-NSHDSACASA-N 1 0 236.315 1.261 50 0 BDAARO COC(C)(C)C[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000128001894 343179529 /nfs/dbraw/zinc/17/95/29/343179529.db2.gz DRMTWFDKFYZKEU-NSHDSACASA-N 1 0 239.363 1.756 50 0 BDAARO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ncnn1C ZINC000095968761 343155269 /nfs/dbraw/zinc/15/52/69/343155269.db2.gz YHPAGHIITROUNT-NXEZZACHSA-N 1 0 222.336 1.729 50 0 BDAARO CC(C)[NH+](CCNC(=O)[C@@H]1CCCO1)C(C)C ZINC000048301099 343237271 /nfs/dbraw/zinc/23/72/71/343237271.db2.gz XDABFGFUJNIJLK-LBPRGKRZSA-N 1 0 242.363 1.400 50 0 BDAARO [NH3+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000034384615 343268785 /nfs/dbraw/zinc/26/87/85/343268785.db2.gz VDJAPRZLEXCFHF-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO [NH3+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000034384616 343268912 /nfs/dbraw/zinc/26/89/12/343268912.db2.gz VDJAPRZLEXCFHF-QMMMGPOBSA-N 1 0 205.179 1.698 50 0 BDAARO CC(C)[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000022023273 343272046 /nfs/dbraw/zinc/27/20/46/343272046.db2.gz NRSOOZRYYZDWKO-NEPJUHHUSA-N 1 0 232.327 1.676 50 0 BDAARO COC(C)(C)C[C@@H](C)[NH2+]CCn1ccnc1C ZINC000310430907 343279497 /nfs/dbraw/zinc/27/94/97/343279497.db2.gz RRDFIQWRGWFOOY-LLVKDONJSA-N 1 0 239.363 1.985 50 0 BDAARO C[n+]1ccn(C(=O)OCc2ccccc2)c1 ZINC000036489572 343319381 /nfs/dbraw/zinc/31/93/81/343319381.db2.gz YXWDQPBJQXPJBQ-UHFFFAOYSA-N 1 0 217.248 1.498 50 0 BDAARO FC(F)Oc1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000036965118 343328752 /nfs/dbraw/zinc/32/87/52/343328752.db2.gz SNOOHUIZKCHLMR-SNVBAGLBSA-N 1 0 229.226 1.949 50 0 BDAARO O=C1CC2(CC[NH2+]CC2)Oc2cc(O)ccc21 ZINC000035287462 343292625 /nfs/dbraw/zinc/29/26/25/343292625.db2.gz MJLFPCOLHBPYIS-UHFFFAOYSA-N 1 0 233.267 1.480 50 0 BDAARO Cn1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC000035972014 343306051 /nfs/dbraw/zinc/30/60/51/343306051.db2.gz ITSCINOQOBTTPE-UHFFFAOYSA-N 1 0 204.248 1.963 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037083410 343333121 /nfs/dbraw/zinc/33/31/21/343333121.db2.gz HSZUFHVLTQMLAL-VXGBXAGGSA-N 1 0 224.348 1.777 50 0 BDAARO O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[NH2+]CC1 ZINC000038478355 343375380 /nfs/dbraw/zinc/37/53/80/343375380.db2.gz WHBRACGDXAWFBY-QWHCGFSZSA-N 1 0 230.311 1.222 50 0 BDAARO Fc1ccc(OC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000038580868 343377507 /nfs/dbraw/zinc/37/75/07/343377507.db2.gz MWLZGIOWYUHGOR-QMMMGPOBSA-N 1 0 213.227 1.953 50 0 BDAARO COC(=O)CCC[NH2+]Cc1ccccc1 ZINC000037249882 343340854 /nfs/dbraw/zinc/34/08/54/343340854.db2.gz ZGTIWECMYCYKPH-UHFFFAOYSA-N 1 0 207.273 1.729 50 0 BDAARO CC(C)(C)c1nc(CN2CCC[NH2+]CC2)no1 ZINC000037400110 343344612 /nfs/dbraw/zinc/34/46/12/343344612.db2.gz GFDJKAODZHIACW-UHFFFAOYSA-N 1 0 238.335 1.162 50 0 BDAARO Cn1ccc(C[N@@H+]2CCCO[C@H](CF)C2)c1 ZINC000335639400 136303450 /nfs/dbraw/zinc/30/34/50/136303450.db2.gz LOQOVJFONICAQM-GFCCVEGCSA-N 1 0 226.295 1.586 50 0 BDAARO O=C(OCC1CC[NH2+]CC1)c1ccncc1 ZINC000042768301 343451147 /nfs/dbraw/zinc/45/11/47/343451147.db2.gz ICLFORLQCFJBHW-UHFFFAOYSA-N 1 0 220.272 1.238 50 0 BDAARO O=C(OCC[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000042769494 343451273 /nfs/dbraw/zinc/45/12/73/343451273.db2.gz RVWCDJNBAZMHEF-NSHDSACASA-N 1 0 234.299 1.628 50 0 BDAARO Clc1cncc(O[C@H]2CCC[NH2+]C2)n1 ZINC000042783008 343453052 /nfs/dbraw/zinc/45/30/52/343453052.db2.gz KRWMLDQTGAPQPU-ZETCQYMHSA-N 1 0 213.668 1.261 50 0 BDAARO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042778652 343453154 /nfs/dbraw/zinc/45/31/54/343453154.db2.gz OKENCYUXGIOWGA-QMMMGPOBSA-N 1 0 238.253 1.397 50 0 BDAARO CN(CC1CCOCC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000042783720 343453716 /nfs/dbraw/zinc/45/37/16/343453716.db2.gz DJZGMOBGCBETFO-LBPRGKRZSA-N 1 0 240.347 1.014 50 0 BDAARO COC(=O)[C@@H]1C[NH2+]C[C@H](c2ccccc2)C1 ZINC000044135807 343492485 /nfs/dbraw/zinc/49/24/85/343492485.db2.gz ZRRCBQONYBQKFI-NEPJUHHUSA-N 1 0 219.284 1.553 50 0 BDAARO Nc1ncc(C[NH2+]CCc2ccccc2)cn1 ZINC000045944715 343536162 /nfs/dbraw/zinc/53/61/62/343536162.db2.gz WZMOZXZRIFLDTB-UHFFFAOYSA-N 1 0 228.299 1.391 50 0 BDAARO CC[C@@H](O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000096502732 343754095 /nfs/dbraw/zinc/75/40/95/343754095.db2.gz AIIIIAIJRGKZPA-MXWKQRLJSA-N 1 0 201.310 1.305 50 0 BDAARO O=C(C[NH+]1CCCC1)NC1CCCCCC1 ZINC000014193483 346984712 /nfs/dbraw/zinc/98/47/12/346984712.db2.gz YMUVOQGBLGMLHY-UHFFFAOYSA-N 1 0 224.348 1.921 50 0 BDAARO Cc1c[nH+]ccc1N1CCCO[C@H](CF)C1 ZINC000334722105 343903268 /nfs/dbraw/zinc/90/32/68/343903268.db2.gz BDFRWCLSRPGYBR-LLVKDONJSA-N 1 0 224.279 1.955 50 0 BDAARO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccco1 ZINC000585135841 344148047 /nfs/dbraw/zinc/14/80/47/344148047.db2.gz FOSDSSQRQWPPBK-UHFFFAOYSA-N 1 0 222.288 1.380 50 0 BDAARO Cc1oncc1C(=O)N1CCN(C(C)C)CC1 ZINC000585148566 344213584 /nfs/dbraw/zinc/21/35/84/344213584.db2.gz QGXIXNXEHWZZNK-UHFFFAOYSA-N 1 0 237.303 1.149 50 0 BDAARO Cc1ccc2c(c1)nnn2C1CC[NH2+]CC1 ZINC000084326185 344419079 /nfs/dbraw/zinc/41/90/79/344419079.db2.gz FFGQUBICQUKNSG-UHFFFAOYSA-N 1 0 216.288 1.664 50 0 BDAARO CCN1C[C@@H](O)C[n+]2c3ccccc3sc21 ZINC000012341668 344500527 /nfs/dbraw/zinc/50/05/27/344500527.db2.gz STEZUGZMSNHUFL-SECBINFHSA-N 1 0 235.332 1.362 50 0 BDAARO CCN1CCC([NH2+][C@@H](C)COC)CC1 ZINC000000279665 344674582 /nfs/dbraw/zinc/67/45/82/344674582.db2.gz POMCNNIJHZKCTF-JTQLQIEISA-N 1 0 200.326 1.095 50 0 BDAARO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCS(C)(=O)=O ZINC000245343918 537856433 /nfs/dbraw/zinc/85/64/33/537856433.db2.gz WLXQEAIAMZLKKI-GRYCIOLGSA-N 1 0 245.388 1.684 50 0 BDAARO Cc1ccccc1N1CCC[C@H]([NH3+])C1=O ZINC000070061976 537856747 /nfs/dbraw/zinc/85/67/47/537856747.db2.gz UDWIUYVUFJKMQK-JTQLQIEISA-N 1 0 204.273 1.449 50 0 BDAARO C[C@H](C(=O)N1CCCC1)[N@H+](C)C[C@H]1CCCO1 ZINC000248096804 345041185 /nfs/dbraw/zinc/04/11/85/345041185.db2.gz GSPGUBOSBNAXOX-VXGBXAGGSA-N 1 0 240.347 1.108 50 0 BDAARO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+][C@H]2CCOC2)C1 ZINC000305810355 537908593 /nfs/dbraw/zinc/90/85/93/537908593.db2.gz ISXRRZWMZDCOAD-MBNYWOFBSA-N 1 0 241.375 1.942 50 0 BDAARO OCCCN1CCc2c(F)ccc(F)c2C1 ZINC000084135696 345922304 /nfs/dbraw/zinc/92/23/04/345922304.db2.gz UJVUVZTUCCWPPS-UHFFFAOYSA-N 1 0 227.254 1.705 50 0 BDAARO OC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCOC1 ZINC000685939741 537928658 /nfs/dbraw/zinc/92/86/58/537928658.db2.gz JXIGOEAJPYWIOG-GXTWGEPZSA-N 1 0 233.311 1.367 50 0 BDAARO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCS(C)(=O)=O ZINC000075838178 537931417 /nfs/dbraw/zinc/93/14/17/537931417.db2.gz WLXQEAIAMZLKKI-UTUOFQBUSA-N 1 0 245.388 1.684 50 0 BDAARO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)C1CCC1 ZINC000192887643 346104002 /nfs/dbraw/zinc/10/40/02/346104002.db2.gz XUGYQXJWABEJJF-BDAKNGLRSA-N 1 0 235.335 1.847 50 0 BDAARO Cc1cccc(C(=O)N2CCC[NH2+]CC2)c1 ZINC000019679934 179008824 /nfs/dbraw/zinc/00/88/24/179008824.db2.gz IBXDPKVPNFWIDO-UHFFFAOYSA-N 1 0 218.300 1.431 50 0 BDAARO Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000044541212 179008895 /nfs/dbraw/zinc/00/88/95/179008895.db2.gz BLBJITRSQBAXNJ-CYBMUJFWSA-N 1 0 232.327 1.948 50 0 BDAARO Cc1cccc(C)c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062112417 179041801 /nfs/dbraw/zinc/04/18/01/179041801.db2.gz LJJJKEMKAGLERX-NSHDSACASA-N 1 0 218.300 1.851 50 0 BDAARO Cc1cccc(C[NH2+][C@H](C)CS(C)(=O)=O)c1 ZINC000078640003 179099660 /nfs/dbraw/zinc/09/96/60/179099660.db2.gz VDIXBFSNYDUZAV-LLVKDONJSA-N 1 0 241.356 1.518 50 0 BDAARO COCc1ncc(C)n1[C@@H]1CCC[NH2+]C1 ZINC000169793049 347096803 /nfs/dbraw/zinc/09/68/03/347096803.db2.gz GQPAGFFKBIWSOW-SNVBAGLBSA-N 1 0 209.293 1.262 50 0 BDAARO Cc1n(C)cc[n+]1Cc1cccc(C)c1 ZINC000000281322 179110058 /nfs/dbraw/zinc/11/00/58/179110058.db2.gz AJDXQGVVYOFJAK-UHFFFAOYSA-N 1 0 201.293 1.978 50 0 BDAARO CC[NH+](CC)CCSc1nc[nH]n1 ZINC000006783617 346654723 /nfs/dbraw/zinc/65/47/23/346654723.db2.gz PNDJFTYHFVTJMX-UHFFFAOYSA-N 1 0 200.311 1.239 50 0 BDAARO Cc1cccc(OCC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000072328572 179163287 /nfs/dbraw/zinc/16/32/87/179163287.db2.gz JUMIALQMUNDFBD-LBPRGKRZSA-N 1 0 248.326 1.242 50 0 BDAARO Cc1cccc(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000000280056 179170383 /nfs/dbraw/zinc/17/03/83/179170383.db2.gz FOJUPLVVORCPSM-CYBMUJFWSA-N 1 0 235.327 1.831 50 0 BDAARO Cc1cccc(O[C@H](C)C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237513244 179175062 /nfs/dbraw/zinc/17/50/62/179175062.db2.gz YOMGVEKOYDMCAY-NEPJUHHUSA-N 1 0 248.326 1.322 50 0 BDAARO Cc1ccccc1C(=O)NCCC[NH+](C)C ZINC000002742565 179249802 /nfs/dbraw/zinc/24/98/02/179249802.db2.gz CRTHTRQFRNFCQP-UHFFFAOYSA-N 1 0 220.316 1.677 50 0 BDAARO Cc1ccccc1C(=O)NCC[NH+](C)C ZINC000000178491 179249834 /nfs/dbraw/zinc/24/98/34/179249834.db2.gz RBZNSASRYQLADT-UHFFFAOYSA-N 1 0 206.289 1.286 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[NH2+]C[C@H]1C ZINC000054369874 179257535 /nfs/dbraw/zinc/25/75/35/179257535.db2.gz HNYNJLZYNJRYQD-GFCCVEGCSA-N 1 0 232.327 1.358 50 0 BDAARO C[C@@H]([NH2+]CCCN1CCCC1=O)[C@H]1CCCO1 ZINC000195560588 347646385 /nfs/dbraw/zinc/64/63/85/347646385.db2.gz GJIFTDWKYVQYLM-VXGBXAGGSA-N 1 0 240.347 1.156 50 0 BDAARO Cc1ccccc1C[NH2+]CCn1cccn1 ZINC000042351723 179280816 /nfs/dbraw/zinc/28/08/16/179280816.db2.gz VALRDSYESNUZQW-UHFFFAOYSA-N 1 0 215.300 1.981 50 0 BDAARO Cc1ccccc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000069840647 179273598 /nfs/dbraw/zinc/27/35/98/179273598.db2.gz MPGCLBFVJYGJLP-OAHLLOKOSA-N 1 0 248.370 1.757 50 0 BDAARO Cc1ccccc1OCCC[NH2+]C[C@@H](C)O ZINC000002879823 179309640 /nfs/dbraw/zinc/30/96/40/179309640.db2.gz QGZFVSLFXSIRCS-GFCCVEGCSA-N 1 0 223.316 1.734 50 0 BDAARO Cc1ccccc1[C@H]1C[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000237678103 179348168 /nfs/dbraw/zinc/34/81/68/179348168.db2.gz UDSLUGDATQIYHR-KGLIPLIRSA-N 1 0 244.338 1.530 50 0 BDAARO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cc[nH]n2)n1 ZINC000066990361 348743118 /nfs/dbraw/zinc/74/31/18/348743118.db2.gz AEQXPIOIWPOOIQ-SNVBAGLBSA-N 1 0 233.319 1.401 50 0 BDAARO Cc1cnn(Cc2ccc(C[NH3+])cc2)c1 ZINC000012399150 179744241 /nfs/dbraw/zinc/74/42/41/179744241.db2.gz VEXDHARDMKRGAG-UHFFFAOYSA-N 1 0 201.273 1.699 50 0 BDAARO Cc1n(C)cc[n+]1Cc1ccc(F)cc1 ZINC000015636493 179810557 /nfs/dbraw/zinc/81/05/57/179810557.db2.gz WAOROAPPBCSTEO-UHFFFAOYSA-N 1 0 205.256 1.808 50 0 BDAARO CC[C@](C)([NH3+])CNC(=O)NC1CCCC1 ZINC000725254828 538048757 /nfs/dbraw/zinc/04/87/57/538048757.db2.gz FITAJWXJMYFHSR-NSHDSACASA-N 1 0 213.325 1.356 50 0 BDAARO Cc1nc2ccc(F)cn2c1CN1CC[NH2+]CC1 ZINC000036239923 180093461 /nfs/dbraw/zinc/09/34/61/180093461.db2.gz OGBBZDITLNQJIL-UHFFFAOYSA-N 1 0 248.305 1.187 50 0 BDAARO CC(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000041225043 191065107 /nfs/dbraw/zinc/06/51/07/191065107.db2.gz UFXHJTJFPNMPMY-UHFFFAOYSA-N 1 0 210.321 1.341 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000092325589 180339260 /nfs/dbraw/zinc/33/92/60/180339260.db2.gz SPEVVSBGFRIGHV-GFCCVEGCSA-N 1 0 235.331 1.819 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]CC1(O)CCCC1 ZINC000096479278 180340692 /nfs/dbraw/zinc/34/06/92/180340692.db2.gz KWDVNINYDIORPE-UHFFFAOYSA-N 1 0 237.347 1.432 50 0 BDAARO C[NH+](C)CCOC(=O)Nc1ccc(F)cc1 ZINC000004794838 191120580 /nfs/dbraw/zinc/12/05/80/191120580.db2.gz AMDMRQFMSMMPAA-UHFFFAOYSA-N 1 0 226.251 1.936 50 0 BDAARO Cc1ccccc1OC[C@H](O)C[NH+](C)C ZINC000004819837 191121232 /nfs/dbraw/zinc/12/12/32/191121232.db2.gz CNILXTYONMFSGG-LLVKDONJSA-N 1 0 209.289 1.296 50 0 BDAARO CC(C)CNC(=O)C[N@@H+]1CCCSCC1 ZINC000089985435 362981664 /nfs/dbraw/zinc/98/16/64/362981664.db2.gz XFELYQLTPVYUKJ-UHFFFAOYSA-N 1 0 230.377 1.198 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CN1CCn2nc(C)cc2C1 ZINC000252481342 350912205 /nfs/dbraw/zinc/91/22/05/350912205.db2.gz CJJFPHFVEWCJBF-ZDUSSCGKSA-N 1 0 248.374 1.491 50 0 BDAARO Clc1ccc(OC2CC[NH2+]CC2)cn1 ZINC000096034643 180583897 /nfs/dbraw/zinc/58/38/97/180583897.db2.gz IPUYKEFHJBBTAW-UHFFFAOYSA-N 1 0 212.680 1.866 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1F ZINC000035018744 351382063 /nfs/dbraw/zinc/38/20/63/351382063.db2.gz OJCBINJWMZWXRK-RXMQYKEDSA-N 1 0 216.643 1.765 50 0 BDAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccccc1F ZINC000606441666 351767161 /nfs/dbraw/zinc/76/71/61/351767161.db2.gz JYEQFNVUZGUDIU-ZADCQDASSA-N 1 0 248.301 1.659 50 0 BDAARO Cn1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000091008862 180702800 /nfs/dbraw/zinc/70/28/00/180702800.db2.gz JNVFFIUKSJTAKX-OAHLLOKOSA-N 1 0 244.338 1.718 50 0 BDAARO CC(=O)N1CCCC[C@@H]1c1ccc[n+](C)c1 ZINC000000174820 187811264 /nfs/dbraw/zinc/81/12/64/187811264.db2.gz ZKXLGJXFNSDYJD-CYBMUJFWSA-N 1 0 219.308 1.585 50 0 biogenic BDAARO C[NH+](C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000016697522 353564912 /nfs/dbraw/zinc/56/49/12/353564912.db2.gz QDGMWECEVJXVJU-CYBMUJFWSA-N 1 0 248.326 1.959 50 0 BDAARO CC(C)(C)OC(=O)N1CSC[C@H]1C[NH3+] ZINC000004240499 188456724 /nfs/dbraw/zinc/45/67/24/188456724.db2.gz XRUIGLRQDKZXKJ-SSDOTTSWSA-N 1 0 218.322 1.255 50 0 BDAARO Cc1ccc(OCC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000084573615 188451843 /nfs/dbraw/zinc/45/18/43/188451843.db2.gz LWDFKLVPENHAMR-GFCCVEGCSA-N 1 0 248.326 1.324 50 0 BDAARO Fc1cccc2[nH]c(CN3CC[NH2+]CC3)nc21 ZINC000051640006 181004175 /nfs/dbraw/zinc/00/41/75/181004175.db2.gz KPAPCWJKZIEZGY-UHFFFAOYSA-N 1 0 234.278 1.107 50 0 BDAARO Cc1cnc(N)nc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000092046993 188498961 /nfs/dbraw/zinc/49/89/61/188498961.db2.gz XCVUQWGISNSOGG-NSHDSACASA-N 1 0 249.362 1.288 50 0 BDAARO CC(C)([NH3+])COc1cc(Br)ccn1 ZINC000091356050 188499129 /nfs/dbraw/zinc/49/91/29/188499129.db2.gz LCRGRSLAHWKROT-UHFFFAOYSA-N 1 0 245.120 1.960 50 0 BDAARO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cncc(F)c1 ZINC000335179674 354953733 /nfs/dbraw/zinc/95/37/33/354953733.db2.gz XLKAMVQUUGBZAE-BQBZGAKWSA-N 1 0 226.255 1.078 50 0 BDAARO NC(=[NH2+])NCCCc1nc2cc(F)ccc2[nH]1 ZINC000021984694 181190040 /nfs/dbraw/zinc/19/00/40/181190040.db2.gz PKYZOSADJSOBFD-UHFFFAOYSA-N 1 0 235.266 1.118 50 0 BDAARO NC(=[NH2+])NCC12CC3CC(CC(C3)C1)C2 ZINC000069656030 181190238 /nfs/dbraw/zinc/19/02/38/181190238.db2.gz GAYYIZMRYZOIJI-UHFFFAOYSA-N 1 0 207.321 1.686 50 0 BDAARO NC(=[NH2+])NCCCOC1CCCCCC1 ZINC000095918046 181190366 /nfs/dbraw/zinc/19/03/66/181190366.db2.gz FNWJVOZSSMTATH-UHFFFAOYSA-N 1 0 213.325 1.599 50 0 BDAARO NC(=[NH2+])NCc1cc(Br)ccc1F ZINC000052020238 181190965 /nfs/dbraw/zinc/19/09/65/181190965.db2.gz YDAAGRCUOHEERU-UHFFFAOYSA-N 1 0 246.083 1.571 50 0 BDAARO [NH2+]=C1CCCN1CC(=O)c1ccccc1 ZINC000004141363 181206962 /nfs/dbraw/zinc/20/69/62/181206962.db2.gz LALUEFFAHKMEHB-UHFFFAOYSA-N 1 0 202.257 1.942 50 0 BDAARO [NH2+]=C1SCCN1C[C@@H](O)c1ccccc1 ZINC000003860556 181207408 /nfs/dbraw/zinc/20/74/08/181207408.db2.gz UTHQDRBQLOYOFO-SNVBAGLBSA-N 1 0 222.313 1.704 50 0 BDAARO [NH2+]=C1SCCN1CC(=O)c1cccs1 ZINC000015723045 181207503 /nfs/dbraw/zinc/20/75/03/181207503.db2.gz JUVUYGMGZLJNLE-UHFFFAOYSA-N 1 0 226.326 1.914 50 0 BDAARO CC[C@@]1(O)CCC[N@H+](Cc2cnc(C)nc2)C1 ZINC000639385754 355981186 /nfs/dbraw/zinc/98/11/86/355981186.db2.gz VKISALNJOCVBAA-CYBMUJFWSA-N 1 0 235.331 1.522 50 0 BDAARO NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000460033 181223159 /nfs/dbraw/zinc/22/31/59/181223159.db2.gz NRMHXNXTBHZFPV-GFCCVEGCSA-N 1 0 233.315 1.484 50 0 biogenic BDAARO Cc1ncc(CN(C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000351590056 356023555 /nfs/dbraw/zinc/02/35/55/356023555.db2.gz PYOBFISVCRIDJV-ZDUSSCGKSA-N 1 0 248.374 1.559 50 0 BDAARO CCOC(CN1CCO[C@H](C)[C@H]1C)OCC ZINC000248626195 356255620 /nfs/dbraw/zinc/25/56/20/356255620.db2.gz PONWXVYXUCWJPQ-GHMZBOCLSA-N 1 0 231.336 1.495 50 0 BDAARO C[NH+]1CCC(NC(=O)COc2ccccc2)CC1 ZINC000047829148 356271682 /nfs/dbraw/zinc/27/16/82/356271682.db2.gz NGRNYDIMROZWKT-UHFFFAOYSA-N 1 0 248.326 1.276 50 0 BDAARO NC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000058346820 181265915 /nfs/dbraw/zinc/26/59/15/181265915.db2.gz PPRXELUQRNIPDC-GFCCVEGCSA-N 1 0 218.300 1.699 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000229476957 181268922 /nfs/dbraw/zinc/26/89/22/181268922.db2.gz CJILWIFEBKFTJW-VXGBXAGGSA-N 1 0 222.332 1.540 50 0 BDAARO NC(=O)[C@@H]1CCC[N@@H+]1CCCC1CCCC1 ZINC000081671188 181269215 /nfs/dbraw/zinc/26/92/15/181269215.db2.gz AJFDDEVIYRWVJV-LBPRGKRZSA-N 1 0 224.348 1.907 50 0 BDAARO NC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000229604791 181279214 /nfs/dbraw/zinc/27/92/14/181279214.db2.gz GPOBOYYAZZOPIX-GHMZBOCLSA-N 1 0 208.305 1.435 50 0 BDAARO CN(C(=O)[C@@H]1C[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252516035 363531671 /nfs/dbraw/zinc/53/16/71/363531671.db2.gz PKYOCHKYCMIIDT-PJIALRRASA-N 1 0 248.370 1.774 50 0 BDAARO CN(C(=O)[C@H]1C[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252516034 363532327 /nfs/dbraw/zinc/53/23/27/363532327.db2.gz PKYOCHKYCMIIDT-AEBFUODCSA-N 1 0 248.370 1.774 50 0 BDAARO [NH3+][C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000034717537 363525081 /nfs/dbraw/zinc/52/50/81/363525081.db2.gz ZTNLBTDECKYBAZ-LBPRGKRZSA-N 1 0 218.300 1.745 50 0 BDAARO Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)nc1 ZINC000095435244 538603159 /nfs/dbraw/zinc/60/31/59/538603159.db2.gz IBYNZQCCFPZTIP-UHFFFAOYSA-N 1 0 233.315 1.168 50 0 BDAARO CC[NH+](CC)C[C@@H](O)Cc1ccccc1 ZINC000004798444 360477827 /nfs/dbraw/zinc/47/78/27/360477827.db2.gz HNOTZJFCQWBXLJ-ZDUSSCGKSA-N 1 0 207.317 1.932 50 0 BDAARO CC(=O)N1c2ccccc2[C@@H]2C[NH2+]CC[C@@H]21 ZINC000238062648 360543171 /nfs/dbraw/zinc/54/31/71/360543171.db2.gz VCHMFUOHDGZSMX-AAEUAGOBSA-N 1 0 216.284 1.499 50 0 BDAARO NC(=S)c1ccccc1C[NH+]1CCCC1 ZINC000019514138 181322094 /nfs/dbraw/zinc/32/20/94/181322094.db2.gz VMXVYHHLVOWKQF-UHFFFAOYSA-N 1 0 220.341 1.917 50 0 BDAARO CSC[C@@H](O)C[N@@H+]1C[C@@H](C)OCC1(C)C ZINC000170085607 361390356 /nfs/dbraw/zinc/39/03/56/361390356.db2.gz KCUQMDACPUMLBY-ZJUUUORDSA-N 1 0 233.377 1.210 50 0 BDAARO CC1(C)C[N@H+](C[C@@H]2CCCCO2)CCO1 ZINC000065554668 361593381 /nfs/dbraw/zinc/59/33/81/361593381.db2.gz QUADMDSKTPRXAD-NSHDSACASA-N 1 0 213.321 1.666 50 0 BDAARO [NH3+]C1CCN(c2nc3ccccc3o2)CC1 ZINC000022637914 181344803 /nfs/dbraw/zinc/34/48/03/181344803.db2.gz FOWDTAQZXGMBMF-UHFFFAOYSA-N 1 0 217.272 1.755 50 0 BDAARO [NH3+]C1CCN(Cc2c(F)cccc2F)CC1 ZINC000034958708 181345289 /nfs/dbraw/zinc/34/52/89/181345289.db2.gz OXLJQNGZUIZDIA-UHFFFAOYSA-N 1 0 226.270 1.888 50 0 BDAARO [NH3+]CC(=O)Nc1cccc2c1CCCC2 ZINC000019514749 181355070 /nfs/dbraw/zinc/35/50/70/181355070.db2.gz UYXPAJJWOHLGFE-UHFFFAOYSA-N 1 0 204.273 1.463 50 0 BDAARO CCOc1ccccc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000037539698 364170514 /nfs/dbraw/zinc/17/05/14/364170514.db2.gz PJUZCSYHJIVRHJ-NSHDSACASA-N 1 0 248.326 1.519 50 0 BDAARO [NH3+]CCC(=O)N1CCCC[C@@H]1Cc1ccccc1 ZINC000083888454 181367076 /nfs/dbraw/zinc/36/70/76/181367076.db2.gz BHLPMMFIVFHOTA-CQSZACIVSA-N 1 0 246.354 1.959 50 0 BDAARO [NH3+]CCC(=O)Nc1cc(F)ccc1F ZINC000019093310 181369336 /nfs/dbraw/zinc/36/93/36/181369336.db2.gz LQZLYYXWSLUVBP-UHFFFAOYSA-N 1 0 200.188 1.252 50 0 BDAARO [NH3+]CCCNc1ccc(Br)cn1 ZINC000012648182 181383112 /nfs/dbraw/zinc/38/31/12/181383112.db2.gz CJPNRBHTHRCYQX-UHFFFAOYSA-N 1 0 230.109 1.605 50 0 BDAARO [NH3+]CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000237985787 181395123 /nfs/dbraw/zinc/39/51/23/181395123.db2.gz BAQVFRUXPAXSQR-UHFFFAOYSA-N 1 0 247.323 1.499 50 0 BDAARO [NH3+]CCNC(=O)c1ccc(Br)cc1 ZINC000013834265 181395233 /nfs/dbraw/zinc/39/52/33/181395233.db2.gz NAZZZOYVGVVJEB-UHFFFAOYSA-N 1 0 243.104 1.138 50 0 BDAARO [NH3+]CCNCCOc1ccc(Cl)c(Cl)c1 ZINC000020118403 181397853 /nfs/dbraw/zinc/39/78/53/181397853.db2.gz NQENRSWWNUZADH-UHFFFAOYSA-N 1 0 249.141 1.921 50 0 BDAARO CCC[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000257365168 541481124 /nfs/dbraw/zinc/48/11/24/541481124.db2.gz UTBIAVQUCWIUAP-MNOVXSKESA-N 1 0 210.321 1.339 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC(C)(C)C1 ZINC000138176398 541495977 /nfs/dbraw/zinc/49/59/77/541495977.db2.gz QUTRKKUYVZIMQK-SECBINFHSA-N 1 0 228.336 1.899 50 0 BDAARO [NH3+][C@@H]1CN(C(=O)OCc2ccccc2)CC12CC2 ZINC000107827724 368340316 /nfs/dbraw/zinc/34/03/16/368340316.db2.gz HQHBNTVXZGJLAI-GFCCVEGCSA-N 1 0 246.310 1.746 50 0 BDAARO Nc1cccc(-c2cn(CCCC[NH3+])nn2)c1 ZINC000219653803 368401392 /nfs/dbraw/zinc/40/13/92/368401392.db2.gz YBUNHJVAMUHZCO-UHFFFAOYSA-N 1 0 231.303 1.266 50 0 BDAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccc[nH]1 ZINC000584898716 369045374 /nfs/dbraw/zinc/04/53/74/369045374.db2.gz ARRMBJVXXHVOBC-UHFFFAOYSA-N 1 0 249.358 1.961 50 0 BDAARO FCC1CN(c2nc3ccccc3[nH]2)C1 ZINC000390832220 371238795 /nfs/dbraw/zinc/23/87/95/371238795.db2.gz YBJXTPXOQRAWRU-UHFFFAOYSA-N 1 0 205.236 1.969 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000132208677 181649725 /nfs/dbraw/zinc/64/97/25/181649725.db2.gz NWZZWBLDDQTWSM-QRGHLMKCSA-N 1 0 234.274 1.399 50 0 BDAARO [NH3+][C@H]1CC[C@@H](C(=O)NCCC(F)(F)F)C1 ZINC000085013018 181653006 /nfs/dbraw/zinc/65/30/06/181653006.db2.gz RFDHMAXBMSMKPG-RQJHMYQMSA-N 1 0 224.226 1.182 50 0 BDAARO CCOC(=O)NCCC[NH2+]C(C)(C)C ZINC000096027333 371382308 /nfs/dbraw/zinc/38/23/08/371382308.db2.gz FDSQOMHDSJURPM-UHFFFAOYSA-N 1 0 202.298 1.511 50 0 BDAARO CCC(=O)NCCCC[NH2+]C(C)(C)C ZINC000096027351 371382433 /nfs/dbraw/zinc/38/24/33/371382433.db2.gz BZOASADPDDCQRB-UHFFFAOYSA-N 1 0 200.326 1.681 50 0 BDAARO CN1CCO[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC000096265891 371450171 /nfs/dbraw/zinc/45/01/71/371450171.db2.gz JNMSFESNXSOUHX-GTBONMDNSA-N 1 0 246.354 1.620 50 0 BDAARO COC[C@H](C)[NH2+]C[C@@H](O)c1ccccc1 ZINC000002655092 371625538 /nfs/dbraw/zinc/62/55/38/371625538.db2.gz NWHJPIYBLRPBGE-CMPLNLGQSA-N 1 0 209.289 1.345 50 0 BDAARO CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCCC1 ZINC000003349101 371964346 /nfs/dbraw/zinc/96/43/46/371964346.db2.gz SNINDDLEGPUENO-UHFFFAOYSA-N 1 0 241.335 1.097 50 0 BDAARO O=C(NC1CCCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000034789285 182112271 /nfs/dbraw/zinc/11/22/71/182112271.db2.gz PIOIPDZKLUNCGW-UHFFFAOYSA-N 1 0 248.330 1.118 50 0 BDAARO O=C(NCC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395386 182138798 /nfs/dbraw/zinc/13/87/98/182138798.db2.gz DSINDRUTRSBWPP-UHFFFAOYSA-N 1 0 237.347 1.322 50 0 BDAARO O=C(NCC[NH+]1CCCCCC1)c1ccccn1 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216.284 1.945 50 0 in-man BDAARO c1ccc(CC[N@@H+]2CCc3cncnc3C2)nc1 ZINC000069571117 183392609 /nfs/dbraw/zinc/39/26/09/183392609.db2.gz MZFPNTCONSPIRH-UHFFFAOYSA-N 1 0 240.310 1.472 50 0 BDAARO c1ccc(CC[NH2+]C[C@H]2CCCO2)cc1 ZINC000010474510 183392893 /nfs/dbraw/zinc/39/28/93/183392893.db2.gz LUZQCJHLCYLRII-CYBMUJFWSA-N 1 0 205.301 1.998 50 0 BDAARO c1ccc(CCN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000096663754 183392941 /nfs/dbraw/zinc/39/29/41/183392941.db2.gz ODYLTZRECSDWCJ-HUUCEWRRSA-N 1 0 230.355 1.913 50 0 BDAARO c1ccc(CCOC2CC[NH2+]CC2)cc1 ZINC000014628603 183394547 /nfs/dbraw/zinc/39/45/47/183394547.db2.gz SBZJGJUFYFMBLO-UHFFFAOYSA-N 1 0 205.301 1.998 50 0 BDAARO c1ccc(CN2CC[NH2+]C3(CC3)C2)cc1 ZINC000096028799 183398428 /nfs/dbraw/zinc/39/84/28/183398428.db2.gz XINDIUOJBNUZMM-UHFFFAOYSA-N 1 0 202.301 1.624 50 0 BDAARO CCCOCCOCCC1CC[NH2+]CC1 ZINC000042772117 169309602 /nfs/dbraw/zinc/30/96/02/169309602.db2.gz OUNMWYYAILBYDU-UHFFFAOYSA-N 1 0 215.337 1.819 50 0 BDAARO CCCO[C@@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091487096 169310897 /nfs/dbraw/zinc/31/08/97/169310897.db2.gz SGFBJSRGSXYHQE-QMMMGPOBSA-N 1 0 238.335 1.903 50 0 BDAARO CCCO[C@H](C)C[NH2+]C1CCN(C(C)=O)CC1 ZINC000065420346 169311651 /nfs/dbraw/zinc/31/16/51/169311651.db2.gz NUBUFDFKMZLVRX-LLVKDONJSA-N 1 0 242.363 1.402 50 0 BDAARO CCCO[C@H]1CCC[N@H+](C[C@H](O)CC)C1 ZINC000042424377 169312836 /nfs/dbraw/zinc/31/28/36/169312836.db2.gz GFICAUSNQURDMG-NEPJUHHUSA-N 1 0 215.337 1.648 50 0 BDAARO c1nn(C2CC[NH2+]CC2)c2ccccc12 ZINC000050526042 183454737 /nfs/dbraw/zinc/45/47/37/183454737.db2.gz AEODUXMQHQNEAM-UHFFFAOYSA-N 1 0 201.273 1.961 50 0 BDAARO CC(C)(C)OC(=O)N1CCC2(CC(C[NH3+])C2)C1 ZINC000095084624 166646918 /nfs/dbraw/zinc/64/69/18/166646918.db2.gz ULVSOOBGBSFHJO-UHFFFAOYSA-N 1 0 240.347 1.982 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]12CCC[NH2+]C2 ZINC000075824152 166653984 /nfs/dbraw/zinc/65/39/84/166653984.db2.gz CSDLLXOIJNMILT-GFCCVEGCSA-N 1 0 226.320 1.749 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH3+])C[C@@H]2C1 ZINC000100132913 166658012 /nfs/dbraw/zinc/65/80/12/166658012.db2.gz DPYIUHWPQGIBSS-ILWJIGKKSA-N 1 0 226.320 1.591 50 0 BDAARO O=C1c2ccccc2CC12CC[NH2+]CC2 ZINC000066054922 383844754 /nfs/dbraw/zinc/84/47/54/383844754.db2.gz OQYGRYBPALDMPC-UHFFFAOYSA-N 1 0 201.269 1.795 50 0 BDAARO Clc1nc(Cl)c2c(n1)CC[NH2+]CC2 ZINC000035269967 383845622 /nfs/dbraw/zinc/84/56/22/383845622.db2.gz RBVKAUNFZLPMEO-UHFFFAOYSA-N 1 0 218.087 1.472 50 0 BDAARO C[NH+](C)CCOC(=O)Cc1ccc(Cl)cc1 ZINC000000316129 383853973 /nfs/dbraw/zinc/85/39/73/383853973.db2.gz NKPYEZQSUZNAFD-UHFFFAOYSA-N 1 0 241.718 1.987 50 0 BDAARO C[n+]1cccc(COc2ccc(C=O)cc2)c1 ZINC000000337637 383856571 /nfs/dbraw/zinc/85/65/71/383856571.db2.gz SSFBKZBKCXRAEK-UHFFFAOYSA-N 1 0 228.271 1.903 50 0 BDAARO Cc1ccc(C(=O)OCC[NH+](C)C)cc1 ZINC000000472999 383873024 /nfs/dbraw/zinc/87/30/24/383873024.db2.gz RVJZNPYFKRKKDL-UHFFFAOYSA-N 1 0 207.273 1.713 50 0 BDAARO CCCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000127741874 383908832 /nfs/dbraw/zinc/90/88/32/383908832.db2.gz GGQARMYOIQQIDB-JTQLQIEISA-N 1 0 200.326 1.618 50 0 BDAARO CN(Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000036883920 383918537 /nfs/dbraw/zinc/91/85/37/383918537.db2.gz WUZZCDOBFVDZCJ-CYBMUJFWSA-N 1 0 204.317 1.856 50 0 BDAARO C[NH+](C)[C@H](CNc1ccccn1)C1CC1 ZINC000091481834 383919282 /nfs/dbraw/zinc/91/92/82/383919282.db2.gz FMDGFXAHHABCQX-LLVKDONJSA-N 1 0 205.305 1.834 50 0 BDAARO Cc1ccc([C@@H](C[NH3+])N2CCOCC2)s1 ZINC000036906716 383921409 /nfs/dbraw/zinc/92/14/09/383921409.db2.gz SHUIZRBEIRLXDQ-SNVBAGLBSA-N 1 0 226.345 1.389 50 0 BDAARO CN1c2ccccc2[C@@]2(CCC[NH2+]C2)C1=O ZINC000067425216 383924130 /nfs/dbraw/zinc/92/41/30/383924130.db2.gz WFVNSFIYTRKAIS-ZDUSSCGKSA-N 1 0 216.284 1.284 50 0 BDAARO CC(C)CCCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000067603848 383929505 /nfs/dbraw/zinc/92/95/05/383929505.db2.gz AYMKAVYTEGIADH-LBPRGKRZSA-N 1 0 226.364 1.881 50 0 BDAARO C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000037469108 383981187 /nfs/dbraw/zinc/98/11/87/383981187.db2.gz ANGMPBYFQOMNSG-LBPRGKRZSA-N 1 0 217.247 1.925 50 0 BDAARO CN(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089717626 383989023 /nfs/dbraw/zinc/98/90/23/383989023.db2.gz LSJREFUWPCHFTG-CYBMUJFWSA-N 1 0 232.327 1.645 50 0 BDAARO Cc1ccc(OCC[NH2+][C@@H](C)CO)c(C)c1 ZINC000002839035 383990443 /nfs/dbraw/zinc/99/04/43/383990443.db2.gz OBZWTZGVEZUHGO-LBPRGKRZSA-N 1 0 223.316 1.653 50 0 BDAARO Cc1noc(C)c1C[NH2+][C@H](C)Cn1cncn1 ZINC000067723550 383939780 /nfs/dbraw/zinc/93/97/80/383939780.db2.gz GSBFSLGIMZFVNH-MRVPVSSYSA-N 1 0 235.291 1.061 50 0 BDAARO C[NH+](C)CCCOC(=O)/C=C/c1ccco1 ZINC000001906471 383940360 /nfs/dbraw/zinc/94/03/60/383940360.db2.gz JFKRMGUAVZAQET-VOTSOKGWSA-N 1 0 223.272 1.788 50 0 BDAARO CCOc1ccccc1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000067799738 383947180 /nfs/dbraw/zinc/94/71/80/383947180.db2.gz MAXOMCYWUDOXGE-LLVKDONJSA-N 1 0 248.326 1.519 50 0 BDAARO c1ccc2c(c1)CCN2[C@@H]1CCC[NH2+]C1 ZINC000037246793 383964181 /nfs/dbraw/zinc/96/41/81/383964181.db2.gz AWKUYUQUENNUOA-GFCCVEGCSA-N 1 0 202.301 1.801 50 0 BDAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH3+])cc1 ZINC000002454816 383964692 /nfs/dbraw/zinc/96/46/92/383964692.db2.gz LPNCSYWIVAILJB-LLVKDONJSA-N 1 0 223.316 1.683 50 0 BDAARO [NH3+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000002513179 383969680 /nfs/dbraw/zinc/96/96/80/383969680.db2.gz SWDAVNPCXAGELD-MRVPVSSYSA-N 1 0 206.072 1.986 50 0 BDAARO CC(C)[C@@H]1C[NH2+]CCN1C(=O)OC(C)(C)C ZINC000002510559 383970117 /nfs/dbraw/zinc/97/01/17/383970117.db2.gz NZTWGWFHWJARJX-JTQLQIEISA-N 1 0 228.336 1.851 50 0 BDAARO c1nc(CC[NH2+]C2Cc3ccccc3C2)c[nH]1 ZINC000003683626 384023065 /nfs/dbraw/zinc/02/30/65/384023065.db2.gz QWAHDSYZBXRJDY-UHFFFAOYSA-N 1 0 227.311 1.709 50 0 BDAARO C[C@@H]([NH3+])C(=O)Nc1cccc(N2CCCC2)c1 ZINC000037766351 384012622 /nfs/dbraw/zinc/01/26/22/384012622.db2.gz MHGWFYMJMBEVAT-SNVBAGLBSA-N 1 0 233.315 1.573 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H]2C[NH2+][C@@H]2CC1 ZINC000090635804 384066126 /nfs/dbraw/zinc/06/61/26/384066126.db2.gz UAPBLNAOCMMCAZ-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO COC(=O)c1ccc(OC2CC[NH2+]CC2)cc1 ZINC000038285588 384080952 /nfs/dbraw/zinc/08/09/52/384080952.db2.gz VKZCXEDITLJYNW-UHFFFAOYSA-N 1 0 235.283 1.604 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000039186347 384109422 /nfs/dbraw/zinc/10/94/22/384109422.db2.gz PSDAEKDIOQXLLC-DTORHVGOSA-N 1 0 212.293 1.358 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([NH3+])C[C@@H]2C1 ZINC000091302512 384115159 /nfs/dbraw/zinc/11/51/59/384115159.db2.gz IIZSRECJUBGQCE-HRDYMLBCSA-N 1 0 212.293 1.201 50 0 BDAARO C[N@@H+](CCc1ccncc1)CCN1CCCC1=O ZINC000071903183 384137032 /nfs/dbraw/zinc/13/70/32/384137032.db2.gz QFEMHRLTSYANIF-UHFFFAOYSA-N 1 0 247.342 1.178 50 0 BDAARO CCC[C@H]1CN(c2ncccn2)C[C@@H]1[NH3+] ZINC000091943033 384154232 /nfs/dbraw/zinc/15/42/32/384154232.db2.gz GPTZJDAWHCCFJS-UWVGGRQHSA-N 1 0 206.293 1.040 50 0 BDAARO C[N@H+](CCN1CCOCC1)[C@@H]1C=CCCC1 ZINC000071904893 384145595 /nfs/dbraw/zinc/14/55/95/384145595.db2.gz VOHRUOHQSRRFLT-CYBMUJFWSA-N 1 0 224.348 1.359 50 0 BDAARO C[N@H+](CC1CC(F)(F)C1)[C@@H]1CCC[C@H]1O ZINC000336232706 384173120 /nfs/dbraw/zinc/17/31/20/384173120.db2.gz KBADEHCJLCWITF-NXEZZACHSA-N 1 0 219.275 1.877 50 0 BDAARO COc1cc(F)cc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000336228358 384173220 /nfs/dbraw/zinc/17/32/20/384173220.db2.gz FWHWCRNCRYPGKB-LLVKDONJSA-N 1 0 225.263 1.401 50 0 BDAARO CC(C)(C)OC(=O)NCC1(F)CC[NH2+]CC1 ZINC000071624133 384174216 /nfs/dbraw/zinc/17/42/16/384174216.db2.gz QBENUNRDGNUPQJ-UHFFFAOYSA-N 1 0 232.299 1.603 50 0 BDAARO c1ccc(C[C@@H]([NH2+]CC2OCCO2)C2CC2)cc1 ZINC000097373856 384175759 /nfs/dbraw/zinc/17/57/59/384175759.db2.gz NGRDIRFAGXCVBS-CQSZACIVSA-N 1 0 247.338 1.970 50 0 BDAARO CCc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)o1 ZINC000090849415 384163962 /nfs/dbraw/zinc/16/39/62/384163962.db2.gz VIUIIMMTMALQRU-ZWNOBZJWSA-N 1 0 239.315 1.644 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1ccc(OC)cc1OC ZINC000006703559 384164530 /nfs/dbraw/zinc/16/45/30/384164530.db2.gz BSVRULRQUWFQLQ-LLVKDONJSA-N 1 0 239.315 1.564 50 0 BDAARO CCCCNC(=O)N1CC[NH+](CCC)CC1 ZINC000006726128 384165553 /nfs/dbraw/zinc/16/55/53/384165553.db2.gz ORSNYNCVDQOHHR-UHFFFAOYSA-N 1 0 227.352 1.524 50 0 BDAARO C[C@H]1OCC[C@@]1(C)[NH2+]CCN1CCCCC1 ZINC000309828616 384184135 /nfs/dbraw/zinc/18/41/35/384184135.db2.gz XXPPZZYJYFKPQZ-CHWSQXEVSA-N 1 0 226.364 1.629 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[NH2+]C2 ZINC000072267056 384203882 /nfs/dbraw/zinc/20/38/82/384203882.db2.gz CSQBUSQTOWHXLW-DTWKUNHWSA-N 1 0 212.293 1.215 50 0 BDAARO Cc1nc(C2(C)CC[NH2+]CC2)cc(=O)[nH]1 ZINC000072344476 384208227 /nfs/dbraw/zinc/20/82/27/384208227.db2.gz QEEZLKUZMRQDRL-UHFFFAOYSA-N 1 0 207.277 1.132 50 0 BDAARO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000336266722 384195933 /nfs/dbraw/zinc/19/59/33/384195933.db2.gz IIJAEIVUBRINEK-WDEREUQCSA-N 1 0 217.284 1.150 50 0 BDAARO FC(F)(F)c1ccc(N[C@H]2CC[NH2+]C2)nn1 ZINC000132510297 384234587 /nfs/dbraw/zinc/23/45/87/384234587.db2.gz FSYMTZCMZMACQA-LURJTMIESA-N 1 0 232.209 1.269 50 0 BDAARO CCCCc1nc(C)cc(NCC[NH3+])n1 ZINC000008731076 384212026 /nfs/dbraw/zinc/21/20/26/384212026.db2.gz AIZJGZREFBSELN-UHFFFAOYSA-N 1 0 208.309 1.498 50 0 BDAARO c1cncc(OCC[C@H]2CCCC[NH2+]2)c1 ZINC000042773380 384242684 /nfs/dbraw/zinc/24/26/84/384242684.db2.gz JRZKBMAXEPYISM-LLVKDONJSA-N 1 0 206.289 1.993 50 0 BDAARO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1nccn1C ZINC000408514337 384265077 /nfs/dbraw/zinc/26/50/77/384265077.db2.gz IZKHNNHQXSJGIC-GRYCIOLGSA-N 1 0 237.347 1.401 50 0 BDAARO Cc1nsc(N2CC[C@@H]([NH+](C)C)[C@H]2C)n1 ZINC000408518493 384273147 /nfs/dbraw/zinc/27/31/47/384273147.db2.gz KPHBZVNQNSLBPE-VXNVDRBHSA-N 1 0 226.349 1.375 50 0 BDAARO CC(C)[N@H+](CC(N)=O)CC1=CCCCC1 ZINC000408519561 384276431 /nfs/dbraw/zinc/27/64/31/384276431.db2.gz WGBMXVVZWGNOPH-UHFFFAOYSA-N 1 0 210.321 1.683 50 0 BDAARO COC(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782861 384241920 /nfs/dbraw/zinc/24/19/20/384241920.db2.gz LLYKUPCTEAPACA-LLVKDONJSA-N 1 0 249.310 1.852 50 0 BDAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1 ZINC000011958351 384305430 /nfs/dbraw/zinc/30/54/30/384305430.db2.gz APGFMIYGVANCND-NSHDSACASA-N 1 0 206.289 1.286 50 0 BDAARO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000011911340 384301249 /nfs/dbraw/zinc/30/12/49/384301249.db2.gz KDNOTNKWSLZQMW-UHFFFAOYSA-N 1 0 246.354 1.968 50 0 BDAARO CC(C)[C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1[NH+](C)C ZINC000095354652 384371085 /nfs/dbraw/zinc/37/10/85/384371085.db2.gz LWLPXMPKDPUHEY-QWHCGFSZSA-N 1 0 249.358 1.673 50 0 BDAARO COc1cc2c(cc1OC)NCC[NH2+]C2 ZINC000012649701 384328577 /nfs/dbraw/zinc/32/85/77/384328577.db2.gz HFAOECPKDYQICN-UHFFFAOYSA-N 1 0 208.261 1.219 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]CC[C@@H]1F ZINC000095742818 384393641 /nfs/dbraw/zinc/39/36/41/384393641.db2.gz PHKRFWRGEVHCAT-YUMQZZPRSA-N 1 0 218.272 1.211 50 0 BDAARO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccnn1C ZINC000097139291 384379463 /nfs/dbraw/zinc/37/94/63/384379463.db2.gz OUQWWFLXFIRWGA-ZDUSSCGKSA-N 1 0 236.363 1.192 50 0 BDAARO [NH3+]Cc1ncc(Br)cc1Cl ZINC000095616402 384383213 /nfs/dbraw/zinc/38/32/13/384383213.db2.gz XXKYTIWQKPYLBL-UHFFFAOYSA-N 1 0 221.485 1.956 50 0 BDAARO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC000127222515 384386990 /nfs/dbraw/zinc/38/69/90/384386990.db2.gz ARZZJJLKSVCRRZ-QJPTWQEYSA-N 1 0 247.404 1.600 50 0 BDAARO c1[nH]nnc1SCC[NH+]1CCCCC1 ZINC000097228738 384451019 /nfs/dbraw/zinc/45/10/19/384451019.db2.gz XZEDMELADYQXBA-UHFFFAOYSA-N 1 0 212.322 1.383 50 0 BDAARO c1ccc2c(c1)CCO[C@@H]2C1=[NH+]CCN1 ZINC000000197828 384481386 /nfs/dbraw/zinc/48/13/86/384481386.db2.gz HHEQNBNKCSRYCP-NSHDSACASA-N 1 0 202.257 1.302 50 0 BDAARO CCc1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019728650 384534936 /nfs/dbraw/zinc/53/49/36/384534936.db2.gz IRCOUIGWIXBKKV-UHFFFAOYSA-N 1 0 248.370 1.923 50 0 BDAARO Nc1cccc([C@H](O)C[NH+]2CCCCC2)c1 ZINC000019731499 384534946 /nfs/dbraw/zinc/53/49/46/384534946.db2.gz JLWZJHWOSRAISP-CYBMUJFWSA-N 1 0 220.316 1.788 50 0 BDAARO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000019361978 384516625 /nfs/dbraw/zinc/51/66/25/384516625.db2.gz CHWYCUIRUZAFQG-LBPRGKRZSA-N 1 0 224.279 1.158 50 0 BDAARO CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000095406021 384523371 /nfs/dbraw/zinc/52/33/71/384523371.db2.gz DRMXVMRRIFDJFG-UHFFFAOYSA-N 1 0 224.348 1.920 50 0 BDAARO [NH3+]Cc1cnn(-c2ccc(F)cc2F)c1 ZINC000019426054 384523406 /nfs/dbraw/zinc/52/34/06/384523406.db2.gz BXHACUCYPQRRJN-UHFFFAOYSA-N 1 0 209.199 1.609 50 0 BDAARO Cc1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)n1C ZINC000098015852 384528912 /nfs/dbraw/zinc/52/89/12/384528912.db2.gz JZORZJKLJOHLGW-RYUDHWBXSA-N 1 0 234.347 1.888 50 0 BDAARO CN(Cc1ccccc1)C(=O)C(C)(C)[NH3+] ZINC000019672381 384530993 /nfs/dbraw/zinc/53/09/93/384530993.db2.gz AWJIHIWLXAPIPL-UHFFFAOYSA-N 1 0 206.289 1.382 50 0 BDAARO c1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019862372 384544118 /nfs/dbraw/zinc/54/41/18/384544118.db2.gz BMCRQEPTJNQZST-AWEZNQCLSA-N 1 0 216.328 1.870 50 0 BDAARO c1ccc(C[NH2+]CCN2CCOCC2)cc1 ZINC000019871528 384545737 /nfs/dbraw/zinc/54/57/37/384545737.db2.gz MSFAUJOUPQMLNF-UHFFFAOYSA-N 1 0 220.316 1.108 50 0 BDAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1cnn(C)c1 ZINC000095448851 384618347 /nfs/dbraw/zinc/61/83/47/384618347.db2.gz GQFCMFZSXRZVGF-CMPLNLGQSA-N 1 0 249.314 1.615 50 0 BDAARO C[C@@H](C[C@@H](O)c1ccco1)[NH2+]Cc1nccn1C ZINC000095448835 384618553 /nfs/dbraw/zinc/61/85/53/384618553.db2.gz XFLLQRMVUJIIJC-WDEREUQCSA-N 1 0 249.314 1.615 50 0 BDAARO O=C1NCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000050394581 384620725 /nfs/dbraw/zinc/62/07/25/384620725.db2.gz SOCKNRAACONBPT-LLVKDONJSA-N 1 0 204.273 1.055 50 0 BDAARO C[NH+](C)CCNC(=O)c1cc(N)ccc1Cl ZINC000020193975 384591862 /nfs/dbraw/zinc/59/18/62/384591862.db2.gz XSCRORDEUJPUJR-UHFFFAOYSA-N 1 0 241.722 1.214 50 0 BDAARO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021299489 384663455 /nfs/dbraw/zinc/66/34/55/384663455.db2.gz UTQYTJHYWCCQIJ-SNVBAGLBSA-N 1 0 228.336 1.995 50 0 BDAARO CC(C)(C)OC(=O)[C@@H](N)CCCCCC[NH3+] ZINC000082048602 384644746 /nfs/dbraw/zinc/64/47/46/384644746.db2.gz YMBWPWAWAGVECD-JTQLQIEISA-N 1 0 230.352 1.565 50 0 BDAARO Cc1cc(C)nc(SC[C@H]2CCC[NH2+]2)n1 ZINC000051608113 384675260 /nfs/dbraw/zinc/67/52/60/384675260.db2.gz QZBKNNNLJYRQFB-SNVBAGLBSA-N 1 0 223.345 1.938 50 0 BDAARO COCc1ccc(C[NH2+]C2(CO)CCC2)o1 ZINC000124478169 384646234 /nfs/dbraw/zinc/64/62/34/384646234.db2.gz ZJEBNHBXSICEFD-UHFFFAOYSA-N 1 0 225.288 1.431 50 0 BDAARO CCCNc1ccc(CN2CC[NH+](C)CC2)cn1 ZINC000050792330 384646400 /nfs/dbraw/zinc/64/64/00/384646400.db2.gz MXYJRSZZCTVRNI-UHFFFAOYSA-N 1 0 248.374 1.651 50 0 BDAARO c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000082369454 384675501 /nfs/dbraw/zinc/67/55/01/384675501.db2.gz PYVXWWICILLOFY-ZIAGYGMSSA-N 1 0 216.328 1.870 50 0 BDAARO CN(C)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000022045017 384725998 /nfs/dbraw/zinc/72/59/98/384725998.db2.gz CXUOYTDMRQVDJC-UHFFFAOYSA-N 1 0 222.376 1.962 50 0 BDAARO COc1ccc(C[N@@H+]2CCC[C@@H](O)C2)cn1 ZINC000267194758 384689836 /nfs/dbraw/zinc/68/98/36/384689836.db2.gz IDDHSUNUAPQXAE-LLVKDONJSA-N 1 0 222.288 1.047 50 0 BDAARO Nc1c[nH+]c2ccc(C(F)(F)F)cn12 ZINC000082694685 384703744 /nfs/dbraw/zinc/70/37/44/384703744.db2.gz WQEGTXNEQKNPIY-UHFFFAOYSA-N 1 0 201.151 1.935 50 0 BDAARO [NH3+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000021958468 384708941 /nfs/dbraw/zinc/70/89/41/384708941.db2.gz CIRAABQZDSQPHA-NSHDSACASA-N 1 0 220.272 1.263 50 0 BDAARO COC(=O)c1ccc2c(c1)C[N@@H+](C)CC2 ZINC000082791820 384718657 /nfs/dbraw/zinc/71/86/57/384718657.db2.gz CDNLQQWJIPRYEA-UHFFFAOYSA-N 1 0 205.257 1.461 50 0 BDAARO [NH3+]C[C@@H](c1ccsc1)N1CCOCC1 ZINC000022172317 384740586 /nfs/dbraw/zinc/74/05/86/384740586.db2.gz BAADONCRQFJDEU-JTQLQIEISA-N 1 0 212.318 1.080 50 0 BDAARO CC[C@H]([NH3+])c1ccccc1OCC(=O)N(C)C ZINC000022218401 384742060 /nfs/dbraw/zinc/74/20/60/384742060.db2.gz MUYZGWJXMVGEPW-NSHDSACASA-N 1 0 236.315 1.563 50 0 BDAARO CCC[C@@H]1C[NH2+]CCN1Cc1cccnc1 ZINC000082926865 384745942 /nfs/dbraw/zinc/74/59/42/384745942.db2.gz IVOAYRZDFMOCCH-CYBMUJFWSA-N 1 0 219.332 1.656 50 0 BDAARO Cc1ccccc1/C=C/C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000179179222 384756091 /nfs/dbraw/zinc/75/60/91/384756091.db2.gz RUGQYRJXOLOQBX-GWJCSSMESA-N 1 0 244.338 1.829 50 0 BDAARO c1ccn2c(c1)nnc2C[C@H]1CCC[NH2+]C1 ZINC000054301114 384830374 /nfs/dbraw/zinc/83/03/74/384830374.db2.gz SFVJAVLMNPHPFP-SNVBAGLBSA-N 1 0 216.288 1.271 50 0 BDAARO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)C1CC1 ZINC000073501154 384781274 /nfs/dbraw/zinc/78/12/74/384781274.db2.gz VGSOWOQFMHLTSY-JOYOIKCWSA-N 1 0 218.300 1.601 50 0 BDAARO CC(C)(C[NH3+])N1CCc2ccccc2C1 ZINC000023094243 384787382 /nfs/dbraw/zinc/78/73/82/384787382.db2.gz RUZNMAAWLDJWOC-UHFFFAOYSA-N 1 0 204.317 1.782 50 0 BDAARO O=C(OCc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000054954730 384862513 /nfs/dbraw/zinc/86/25/13/384862513.db2.gz VVCLBQFBKZQOAF-NSHDSACASA-N 1 0 205.257 1.482 50 0 BDAARO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1 ZINC000061883019 384989058 /nfs/dbraw/zinc/98/90/58/384989058.db2.gz NIJQILQTVXBQMS-RYUDHWBXSA-N 1 0 218.300 1.544 50 0 BDAARO CCCCNC(=O)CN1CCc2ccccc2C1 ZINC000058378292 385000653 /nfs/dbraw/zinc/00/06/53/385000653.db2.gz BNWIULOADPUTKP-UHFFFAOYSA-N 1 0 246.354 1.961 50 0 BDAARO CCOc1ccc(-c2n[nH]cc2C[NH3+])cc1 ZINC000086442675 385016759 /nfs/dbraw/zinc/01/67/59/385016759.db2.gz GOQIEFMARLGUBY-UHFFFAOYSA-N 1 0 217.272 1.934 50 0 BDAARO COc1c(C[NH2+]C[C@H]2CCCO2)c(C)nn1C ZINC000134094253 385019982 /nfs/dbraw/zinc/01/99/82/385019982.db2.gz PWUVEHNJNIVTJO-SNVBAGLBSA-N 1 0 239.319 1.006 50 0 BDAARO C[C@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000060009982 385061630 /nfs/dbraw/zinc/06/16/30/385061630.db2.gz XMHIECMZJPJPCQ-PWSUYJOCSA-N 1 0 218.300 1.350 50 0 BDAARO C[C@@H](C(N)=O)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000060009979 385062320 /nfs/dbraw/zinc/06/23/20/385062320.db2.gz XMHIECMZJPJPCQ-JQWIXIFHSA-N 1 0 218.300 1.350 50 0 BDAARO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1cccs1 ZINC000062112855 385064627 /nfs/dbraw/zinc/06/46/27/385064627.db2.gz IIIDQJRRLDCYLA-IUCAKERBSA-N 1 0 224.329 1.535 50 0 BDAARO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COC ZINC000096417913 385141448 /nfs/dbraw/zinc/14/14/48/385141448.db2.gz ZQXZBHQSOXCHBC-RYUDHWBXSA-N 1 0 215.337 1.648 50 0 BDAARO COC1(C[NH2+]Cc2ccccn2)CCOCC1 ZINC000095431273 385120131 /nfs/dbraw/zinc/12/01/31/385120131.db2.gz LSNKHWKMBBBBCH-UHFFFAOYSA-N 1 0 236.315 1.367 50 0 BDAARO O=C(c1cn[nH]c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062983809 385199011 /nfs/dbraw/zinc/19/90/11/385199011.db2.gz HERSRKRDWICDFW-LBPRGKRZSA-N 1 0 248.330 1.110 50 0 BDAARO c1cncc(-c2noc([C@@H]3CC[NH2+]C3)n2)c1 ZINC000062119518 385160435 /nfs/dbraw/zinc/16/04/35/385160435.db2.gz URJSSYVXMNJDTO-SECBINFHSA-N 1 0 216.244 1.209 50 0 BDAARO CN1C(=O)CC[C@H]([NH3+])[C@H]1c1cccs1 ZINC000062211251 385164856 /nfs/dbraw/zinc/16/48/56/385164856.db2.gz YDYGHSWEGVRINQ-XVKPBYJWSA-N 1 0 210.302 1.369 50 0 BDAARO CN1C(=O)C[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000062208826 385164937 /nfs/dbraw/zinc/16/49/37/385164937.db2.gz CXQPTCSGBZTHHU-KOLCDFICSA-N 1 0 224.691 1.571 50 0 BDAARO C[C@@H](O)CCN(C)CC[NH+]1CCCCC1 ZINC000096441475 385167509 /nfs/dbraw/zinc/16/75/09/385167509.db2.gz VMVIBSZJIYNJKZ-GFCCVEGCSA-N 1 0 214.353 1.175 50 0 BDAARO CC(C)(C)c1nc(CN2CC[NH2+]CC2)cs1 ZINC000032627444 385176038 /nfs/dbraw/zinc/17/60/38/385176038.db2.gz VITXSIHDSMSNNO-UHFFFAOYSA-N 1 0 239.388 1.846 50 0 BDAARO CC(C)c1ccc2c(c1)[C@@H](O)[C@@H]([NH3+])CCO2 ZINC000062610692 385178659 /nfs/dbraw/zinc/17/86/59/385178659.db2.gz IWSPSJWDEPDMDH-WCQYABFASA-N 1 0 221.300 1.953 50 0 BDAARO CC(C)c1ccc2c(c1)[C@H](O)[C@@H]([NH3+])CCO2 ZINC000062610691 385179186 /nfs/dbraw/zinc/17/91/86/385179186.db2.gz IWSPSJWDEPDMDH-AAEUAGOBSA-N 1 0 221.300 1.953 50 0 BDAARO C/C=C(/C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000236707550 385250072 /nfs/dbraw/zinc/25/00/72/385250072.db2.gz QMHQBTYYAIEVLZ-SDKXAQGSSA-N 1 0 212.337 1.784 50 0 BDAARO CC(C)c1ncncc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000269151706 385272787 /nfs/dbraw/zinc/27/27/87/385272787.db2.gz RMAVBPLGFBBJFP-SNVBAGLBSA-N 1 0 248.330 1.034 50 0 BDAARO C[NH+](C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095074233 385537159 /nfs/dbraw/zinc/53/71/59/385537159.db2.gz WDPFUWGXYAWFNA-HUUCEWRRSA-N 1 0 248.370 1.431 50 0 BDAARO C[C@H]([NH3+])C(=O)c1ccc(Br)cc1 ZINC000058114643 385652626 /nfs/dbraw/zinc/65/26/26/385652626.db2.gz QYLHFDPIVWASPH-LURJTMIESA-N 1 0 228.089 1.979 50 0 BDAARO COc1cc(C[NH2+][C@H]2C[C@H]2C)cc2c1OCCO2 ZINC000052274880 385718847 /nfs/dbraw/zinc/71/88/47/385718847.db2.gz PSZOHWXEDDZGHC-KOLCDFICSA-N 1 0 249.310 1.964 50 0 BDAARO C[N@H+](CCCO)Cc1ccc2c[nH]nc2c1 ZINC000281738047 385696566 /nfs/dbraw/zinc/69/65/66/385696566.db2.gz JUWISIFUPHHUCT-UHFFFAOYSA-N 1 0 219.288 1.377 50 0 BDAARO CO[C@H](C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159728140 385726620 /nfs/dbraw/zinc/72/66/20/385726620.db2.gz MEGDLMMISJQQJU-LLVKDONJSA-N 1 0 242.363 1.450 50 0 BDAARO Cc1cncc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261833968 385830817 /nfs/dbraw/zinc/83/08/17/385830817.db2.gz QFMWUMJCCPGARN-GFCCVEGCSA-N 1 0 249.314 1.082 50 0 BDAARO C[C@@H]([NH3+])c1ncccc1Br ZINC000083283672 385844276 /nfs/dbraw/zinc/84/42/76/385844276.db2.gz SVDQMJUOIHNSKT-RXMQYKEDSA-N 1 0 201.067 1.864 50 0 BDAARO C[C@@H](Cc1ccncc1)NC(=O)C[NH+]1CCCC1 ZINC000222317400 386042326 /nfs/dbraw/zinc/04/23/26/386042326.db2.gz WBJQWJJJDDWTTM-LBPRGKRZSA-N 1 0 247.342 1.225 50 0 BDAARO C[C@@H]([NH3+])C(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000261850899 386183386 /nfs/dbraw/zinc/18/33/86/386183386.db2.gz OTYMYAQDQPEUAZ-DYEKYZERSA-N 1 0 246.354 1.813 50 0 BDAARO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000225396960 386191453 /nfs/dbraw/zinc/19/14/53/386191453.db2.gz JESCDOWVVZVPIT-STQMWFEESA-N 1 0 249.310 1.824 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1[NH3+] ZINC000225493611 386198211 /nfs/dbraw/zinc/19/82/11/386198211.db2.gz XPZSDTBGIYPHNS-KXUCPTDWSA-N 1 0 228.336 1.979 50 0 BDAARO CCC1(CC)[C@H]([NH2+]C[C@@H](C)O)C[C@@H]1OC ZINC000095987731 386333288 /nfs/dbraw/zinc/33/32/88/386333288.db2.gz YKJRALUXLKEMFP-MXWKQRLJSA-N 1 0 215.337 1.551 50 0 BDAARO CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000238162574 386447747 /nfs/dbraw/zinc/44/77/47/386447747.db2.gz BLEBGRGBFNZIIP-YUMQZZPRSA-N 1 0 218.272 1.211 50 0 BDAARO CC(C)n1cc(C2=CCC[NH2+]CC2)nn1 ZINC000238856492 386537631 /nfs/dbraw/zinc/53/76/31/386537631.db2.gz VZYJZMXQHHSJDO-UHFFFAOYSA-N 1 0 206.293 1.626 50 0 BDAARO CC[C@H](CNC(C)=O)[N@@H+]1CCc2ccccc2C1 ZINC000046246616 386549097 /nfs/dbraw/zinc/54/90/97/386549097.db2.gz FEPNANOOIDOAJL-OAHLLOKOSA-N 1 0 246.354 1.959 50 0 BDAARO Fc1cccc(C[N@@H+]2CC[C@H](n3ccnn3)C2)c1 ZINC000585116271 386672471 /nfs/dbraw/zinc/67/24/71/386672471.db2.gz OFRMFLZZBHBTRQ-ZDUSSCGKSA-N 1 0 246.289 1.864 50 0 BDAARO CO[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000088058875 386734860 /nfs/dbraw/zinc/73/48/60/386734860.db2.gz SLDHIJNCYFZXOV-AAEUAGOBSA-N 1 0 248.326 1.194 50 0 BDAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 ZINC000237925079 387146129 /nfs/dbraw/zinc/14/61/29/387146129.db2.gz OSFUMZCKONBVST-ITKZLYELSA-N 1 0 234.274 1.399 50 0 BDAARO O[C@@H]1CCC=CCC[C@H]1[NH+]1CCOCC1 ZINC000536954799 387167920 /nfs/dbraw/zinc/16/79/20/387167920.db2.gz MFKWRYOIVPEJQW-VXGBXAGGSA-N 1 0 211.305 1.178 50 0 BDAARO Cc1cnn(CC[NH2+]CC2CCCC2)c1 ZINC000053534708 387174668 /nfs/dbraw/zinc/17/46/68/387174668.db2.gz WCLHKIXWPFRUHY-UHFFFAOYSA-N 1 0 207.321 1.971 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH3+])[C@@H]2C1 ZINC000095707511 387228754 /nfs/dbraw/zinc/22/87/54/387228754.db2.gz IIZSRECJUBGQCE-DJLDLDEBSA-N 1 0 212.293 1.201 50 0 BDAARO COC[C@H](O)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000248848328 387263643 /nfs/dbraw/zinc/26/36/43/387263643.db2.gz IRKIKPJXMCVJPI-IJLUTSLNSA-N 1 0 229.364 1.798 50 0 BDAARO Fc1ccc(OC[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000070834075 387284616 /nfs/dbraw/zinc/28/46/16/387284616.db2.gz OHTCFMKHEAYBKN-SECBINFHSA-N 1 0 245.681 1.846 50 0 BDAARO CSC[C@@H](C)[N@H+](C)Cc1cnn(C)c1C ZINC000089544731 387304159 /nfs/dbraw/zinc/30/41/59/387304159.db2.gz JQHABQMKTDWKPA-SECBINFHSA-N 1 0 227.377 1.912 50 0 BDAARO O=C(/C=C/c1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000071397158 387438209 /nfs/dbraw/zinc/43/82/09/387438209.db2.gz YWVAXIKQOLNVAR-MMQHEFTJSA-N 1 0 230.311 1.568 50 0 BDAARO CC(C)(C)C[C@@H](CO)[NH2+]C1CCOCC1 ZINC000090589765 387453709 /nfs/dbraw/zinc/45/37/09/387453709.db2.gz DHDWSHWTOMSSLL-NSHDSACASA-N 1 0 215.337 1.552 50 0 BDAARO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cccc(F)c1 ZINC000090850335 387455985 /nfs/dbraw/zinc/45/59/85/387455985.db2.gz OAYHVXMGEMTWRT-MFKMUULPSA-N 1 0 239.290 1.628 50 0 BDAARO Cc1cc(C(=O)NCC2([NH+](C)C)CC2)ns1 ZINC000416307920 387510588 /nfs/dbraw/zinc/51/05/88/387510588.db2.gz NJJHDJJDZUEFGC-UHFFFAOYSA-N 1 0 239.344 1.276 50 0 BDAARO O=[n+]1c2c(n(O)c3c1CCCC3)CCCC2 ZINC000103900927 387465010 /nfs/dbraw/zinc/46/50/10/387465010.db2.gz ZKNQNOVVGKULDK-UHFFFAOYSA-N 1 0 221.280 1.398 50 0 BDAARO CSCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000002498686 387469880 /nfs/dbraw/zinc/46/98/80/387469880.db2.gz LODKTUNSGTYABZ-SNVBAGLBSA-N 1 0 203.351 1.444 50 0 BDAARO CC(C)(C)[C@H]([NH2+]C[Si](C)(C)C)C(N)=O ZINC000171951278 387479923 /nfs/dbraw/zinc/47/99/23/387479923.db2.gz YVVZSYMSESBEOQ-MRVPVSSYSA-N 1 0 216.401 1.353 50 0 BDAARO Cc1c[nH+]c(C)n1CCNC(=O)c1cccn1C ZINC000575555636 387694470 /nfs/dbraw/zinc/69/44/70/387694470.db2.gz QEUWIAGMCDWVFE-UHFFFAOYSA-N 1 0 246.314 1.268 50 0 BDAARO COC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000126876579 387698189 /nfs/dbraw/zinc/69/81/89/387698189.db2.gz PCGANPZUXZHYLQ-CHWSQXEVSA-N 1 0 229.364 1.752 50 0 BDAARO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000075061507 387710161 /nfs/dbraw/zinc/71/01/61/387710161.db2.gz NOIVCYWXPSICSQ-NEPJUHHUSA-N 1 0 232.331 1.458 50 0 BDAARO Cc1nnc(C[NH+]2C[C@@H](C)C[C@H](C)C2)o1 ZINC000048343663 387779756 /nfs/dbraw/zinc/77/97/56/387779756.db2.gz CXMDNISBVQOHSM-IUCAKERBSA-N 1 0 209.293 1.856 50 0 BDAARO [NH3+][C@H]1CCCc2nc(-c3ccncc3)ncc21 ZINC000050094074 387843099 /nfs/dbraw/zinc/84/30/99/387843099.db2.gz NOBGUWOTCAIRIA-NSHDSACASA-N 1 0 226.283 1.875 50 0 BDAARO C(OC[C@@H]1C[NH2+]CC12CCOCC2)C1CC1 ZINC000257192338 387864065 /nfs/dbraw/zinc/86/40/65/387864065.db2.gz TZCMSMVHYXBMFA-LBPRGKRZSA-N 1 0 225.332 1.429 50 0 BDAARO c1ccc2c(c1)OC[C@H](C[NH2+]CC1CC1)O2 ZINC000036882457 387994760 /nfs/dbraw/zinc/99/47/60/387994760.db2.gz OEANJYLDOLHBSU-NSHDSACASA-N 1 0 219.284 1.826 50 0 BDAARO CCCc1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 ZINC000071803808 388115376 /nfs/dbraw/zinc/11/53/76/388115376.db2.gz SAKGCXMKDFNMEB-UHFFFAOYSA-N 1 0 221.304 1.450 50 0 BDAARO CCCCOCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000056268111 388346956 /nfs/dbraw/zinc/34/69/56/388346956.db2.gz GXFMPQKKNJKENP-UHFFFAOYSA-N 1 0 242.363 1.357 50 0 BDAARO Cc1ccc(SCC[NH2+]CCO)c(C)c1 ZINC000002639080 388347259 /nfs/dbraw/zinc/34/72/59/388347259.db2.gz NUYXJKOBLSPEEW-UHFFFAOYSA-N 1 0 225.357 1.977 50 0 BDAARO CC(C)[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000057211685 388355982 /nfs/dbraw/zinc/35/59/82/388355982.db2.gz GRBVRTYARQVQCC-GFCCVEGCSA-N 1 0 206.289 1.459 50 0 BDAARO CCS[C@H]1CC[C@H]([N@H+](C)CCC(=O)NC)C1 ZINC000076068625 388373406 /nfs/dbraw/zinc/37/34/06/388373406.db2.gz PEXDFCMYLLTSLE-QWRGUYRKSA-N 1 0 244.404 1.729 50 0 BDAARO CCS[C@H]1CC[C@@H]([N@H+](C)CCCO)C1 ZINC000076070224 388373549 /nfs/dbraw/zinc/37/35/49/388373549.db2.gz CUMSKDXZHWXNBC-MNOVXSKESA-N 1 0 217.378 1.975 50 0 BDAARO CC(C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000252501880 388378213 /nfs/dbraw/zinc/37/82/13/388378213.db2.gz UKFILFUBYMRGHE-UHFFFAOYSA-N 1 0 212.337 1.633 50 0 BDAARO CC(C)[N@H+](CC(=O)N(C)C1CC1)C1CC1 ZINC000067457225 388406337 /nfs/dbraw/zinc/40/63/37/388406337.db2.gz GZLFTOBKKKDFNR-UHFFFAOYSA-N 1 0 210.321 1.480 50 0 BDAARO CCc1nnc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)[nH]1 ZINC000527712435 388399737 /nfs/dbraw/zinc/39/97/37/388399737.db2.gz FSZXCASUGKRSQP-LSJOCFKGSA-N 1 0 234.347 1.891 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000122681496 388402528 /nfs/dbraw/zinc/40/25/28/388402528.db2.gz XOMCCNFVZYDPGH-UPJWGTAASA-N 1 0 237.347 1.412 50 0 BDAARO CC/C=C(/C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000069351839 388414880 /nfs/dbraw/zinc/41/48/80/388414880.db2.gz WHPILNZMFZEPCN-SDQBBNPISA-N 1 0 224.348 1.895 50 0 BDAARO CCN(CCNC(N)=[NH2+])c1ccccc1C ZINC000069655999 388422934 /nfs/dbraw/zinc/42/29/34/388422934.db2.gz BNXAKSJEMNRXGL-UHFFFAOYSA-N 1 0 220.320 1.304 50 0 BDAARO Cn1cc([C@H]2CCC[N@@H+]2CCn2cccn2)cn1 ZINC000069662741 388424084 /nfs/dbraw/zinc/42/40/84/388424084.db2.gz UBVBUVXZNVHVRL-CYBMUJFWSA-N 1 0 245.330 1.454 50 0 BDAARO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000069737185 388425626 /nfs/dbraw/zinc/42/56/26/388425626.db2.gz GPDBGZGOZCANGZ-NEPJUHHUSA-N 1 0 242.363 1.089 50 0 BDAARO CC(C)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000069847443 388427027 /nfs/dbraw/zinc/42/70/27/388427027.db2.gz GYXFEWGCMZKSKI-NSHDSACASA-N 1 0 208.309 1.399 50 0 BDAARO CC[C@H]1C[N@H+](CC(C)C)CCN1CCOC ZINC000069817481 388427681 /nfs/dbraw/zinc/42/76/81/388427681.db2.gz OJGLILNDRKDKGE-ZDUSSCGKSA-N 1 0 228.380 1.685 50 0 BDAARO Cc1ccc(OCCOCC[NH+](C)C)cc1 ZINC000002821836 388479941 /nfs/dbraw/zinc/47/99/41/388479941.db2.gz PTEOVUCTUMDVGK-UHFFFAOYSA-N 1 0 223.316 1.952 50 0 BDAARO Cc1cnn(C2C[NH+](CC3(O)CCCCC3)C2)c1 ZINC000070015636 388431579 /nfs/dbraw/zinc/43/15/79/388431579.db2.gz UEDRSVLHMHNXEJ-UHFFFAOYSA-N 1 0 249.358 1.743 50 0 BDAARO Cc1cc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000070173038 388433819 /nfs/dbraw/zinc/43/38/19/388433819.db2.gz JPZAPTUPEPHPFP-ZJUUUORDSA-N 1 0 237.303 1.182 50 0 BDAARO Cc1cc(C)c(CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000041298006 388434792 /nfs/dbraw/zinc/43/47/92/388434792.db2.gz YLHXBQCQKJUTNX-UHFFFAOYSA-N 1 0 246.354 1.586 50 0 BDAARO Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)nc1 ZINC000253370501 388589405 /nfs/dbraw/zinc/58/94/05/388589405.db2.gz RPEBZGZNPBHAER-STQMWFEESA-N 1 0 234.343 1.983 50 0 BDAARO Cc1cnc(-c2cccnc2)n1CC1C[NH2+]C1 ZINC000253397115 388590116 /nfs/dbraw/zinc/59/01/16/388590116.db2.gz BJLLDPSFXQJAEC-UHFFFAOYSA-N 1 0 228.299 1.473 50 0 BDAARO CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1 ZINC000004795495 388590840 /nfs/dbraw/zinc/59/08/40/388590840.db2.gz IBMJEJFJDQFSCM-CMPLNLGQSA-N 1 0 220.316 1.847 50 0 BDAARO C[C@@H]([NH3+])C(=O)N[C@H](c1nccs1)C1CC1 ZINC000237472011 388595703 /nfs/dbraw/zinc/59/57/03/388595703.db2.gz VCDIAOMRQKRDCM-SVRRBLITSA-N 1 0 225.317 1.058 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000236595103 388595963 /nfs/dbraw/zinc/59/59/63/388595963.db2.gz OXXKMSIXHJCMDG-SECBINFHSA-N 1 0 230.377 1.244 50 0 BDAARO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)/C=C/c1ccccn1 ZINC000237405920 256860997 /nfs/dbraw/zinc/86/09/97/256860997.db2.gz OFKCSVFTJRDARB-IEVRTODYSA-N 1 0 245.326 1.433 50 0 BDAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccn1C ZINC000066150159 388639449 /nfs/dbraw/zinc/63/94/49/388639449.db2.gz JVYARAKGPYCUPG-LLVKDONJSA-N 1 0 237.347 1.485 50 0 BDAARO COC(=O)C1(Oc2ccc(C)cc2)CC[NH2+]CC1 ZINC000205361026 388648578 /nfs/dbraw/zinc/64/85/78/388648578.db2.gz CBIVOFDPFHMTSM-UHFFFAOYSA-N 1 0 249.310 1.669 50 0 BDAARO Cc1noc([C@@H]2CC[C@H](C[NH2+]C(C)C)O2)n1 ZINC000328632112 388740129 /nfs/dbraw/zinc/74/01/29/388740129.db2.gz ROVTVIHMKDNPTE-ZJUUUORDSA-N 1 0 225.292 1.596 50 0 BDAARO C[C@H]1c2c(F)cccc2CCN1C(=O)C[NH3+] ZINC000225464151 388709670 /nfs/dbraw/zinc/70/96/70/388709670.db2.gz HNTLSOWTKCODJG-QMMMGPOBSA-N 1 0 222.263 1.230 50 0 BDAARO CC(C)(C)c1cc(CC2([NH3+])COC2)no1 ZINC000070633542 388731202 /nfs/dbraw/zinc/73/12/02/388731202.db2.gz VYXDDHGPKQWWIR-UHFFFAOYSA-N 1 0 210.277 1.242 50 0 biogenic,in-vitro BDAARO Cc1cc(C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000095982740 388799453 /nfs/dbraw/zinc/79/94/53/388799453.db2.gz QZJIKDYYHZJSDZ-RYUDHWBXSA-N 1 0 234.347 1.622 50 0 BDAARO CC(C)[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000096997498 388829851 /nfs/dbraw/zinc/82/98/51/388829851.db2.gz RRYQFYQGWXRKIM-JQWIXIFHSA-N 1 0 220.316 1.847 50 0 BDAARO C[C@@]1(CO)CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000225532054 388835017 /nfs/dbraw/zinc/83/50/17/388835017.db2.gz SOCSEMDYGKVARP-CHWSQXEVSA-N 1 0 243.347 1.234 50 0 BDAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C1CC1 ZINC000299747203 388846254 /nfs/dbraw/zinc/84/62/54/388846254.db2.gz CIVRZTKJHNIDGS-BQUFFADESA-N 1 0 236.359 1.761 50 0 BDAARO [NH3+]Cc1ccc(N2CCCOC2=O)cc1 ZINC000041054553 132349210 /nfs/dbraw/zinc/34/92/10/132349210.db2.gz UJWDWDOPAZMMAI-UHFFFAOYSA-N 1 0 206.245 1.492 50 0 BDAARO Cc1ccccc1N1CCN(CC[NH3+])CC1 ZINC000022790048 132285963 /nfs/dbraw/zinc/28/59/63/132285963.db2.gz LBPUXJVDEJKNGK-UHFFFAOYSA-N 1 0 219.332 1.076 50 0 BDAARO c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)nc1 ZINC000089883835 132311704 /nfs/dbraw/zinc/31/17/04/132311704.db2.gz IFHUKUKTYQUIAK-GFCCVEGCSA-N 1 0 217.316 1.756 50 0 BDAARO CC(C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000000058265 132312549 /nfs/dbraw/zinc/31/25/49/132312549.db2.gz BMBPGRMBBHKAEP-UHFFFAOYSA-N 1 0 220.316 1.923 50 0 BDAARO [NH3+]Cc1ccccc1N1CCC(CO)CC1 ZINC000000153479 132312946 /nfs/dbraw/zinc/31/29/46/132312946.db2.gz KXPYQPKQXZWYGM-UHFFFAOYSA-N 1 0 220.316 1.354 50 0 BDAARO C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000003888905 132315635 /nfs/dbraw/zinc/31/56/35/132315635.db2.gz HUJGEEUTLCYING-UHFFFAOYSA-N 1 0 206.289 1.243 50 0 BDAARO Cc1nc(N2CCN(C)CC2)nc2c1CCC2 ZINC000005534167 132317798 /nfs/dbraw/zinc/31/77/98/132317798.db2.gz HCAKSDSGZFUIHG-UHFFFAOYSA-N 1 0 232.331 1.026 50 0 BDAARO CN(C)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000008374469 132318634 /nfs/dbraw/zinc/31/86/34/132318634.db2.gz GRJIAPLFQXLDJJ-UHFFFAOYSA-N 1 0 205.305 1.162 50 0 BDAARO C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[NH2+]1 ZINC000015443067 132323023 /nfs/dbraw/zinc/32/30/23/132323023.db2.gz QJUQPDWOTZCCLR-MRVPVSSYSA-N 1 0 245.248 1.899 50 0 BDAARO CC[NH+]1CCN(c2ccc(N)cc2F)CC1 ZINC000020352153 132331129 /nfs/dbraw/zinc/33/11/29/132331129.db2.gz IRLDCHVGDGNGFK-UHFFFAOYSA-N 1 0 223.295 1.550 50 0 BDAARO CC1CCN(c2ncccc2C[NH3+])CC1 ZINC000022210487 132332670 /nfs/dbraw/zinc/33/26/70/132332670.db2.gz RNLSPTLVVIGPMQ-UHFFFAOYSA-N 1 0 205.305 1.777 50 0 BDAARO c1cc2nccc(N3CC[NH2+]CC3)c2s1 ZINC000203966717 132333185 /nfs/dbraw/zinc/33/31/85/132333185.db2.gz VTNFLAXAYXFTFH-UHFFFAOYSA-N 1 0 219.313 1.706 50 0 BDAARO COc1cccc(N2CCC[C@H]([NH3+])C2)c1 ZINC000033426948 132335737 /nfs/dbraw/zinc/33/57/37/132335737.db2.gz PBCVDMFQFFJJSO-JTQLQIEISA-N 1 0 206.289 1.623 50 0 BDAARO CC(C)[NH+]1CCN(c2ncccn2)CC1 ZINC000039628268 132347015 /nfs/dbraw/zinc/34/70/15/132347015.db2.gz JMSBGUKOMZSBMF-UHFFFAOYSA-N 1 0 206.293 1.007 50 0 BDAARO C[C@@H]1CN(c2ccc(N)cc2F)C[C@H](C)[NH2+]1 ZINC000041701552 132350687 /nfs/dbraw/zinc/35/06/87/132350687.db2.gz FKXNCZPJTRPOGY-DTORHVGOSA-N 1 0 223.295 1.595 50 0 BDAARO C[N@@H+]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000032747817 133745340 /nfs/dbraw/zinc/74/53/40/133745340.db2.gz UJDMUDHYUSHBCY-GFCCVEGCSA-N 1 0 222.332 1.507 50 0 BDAARO C[C@@H]1CC[N@H+](Cc2ccncc2F)[C@H]1CO ZINC000336217515 134138170 /nfs/dbraw/zinc/13/81/70/134138170.db2.gz GFZILJXWWGWACE-SKDRFNHKSA-N 1 0 224.279 1.423 50 0 BDAARO Cc1ccc2oc(=O)cc(C[N@H+](C)CCO)c2c1 ZINC000004340567 135389934 /nfs/dbraw/zinc/38/99/34/135389934.db2.gz YPBZIONGHCINLO-UHFFFAOYSA-N 1 0 247.294 1.526 50 0 biogenic BDAARO Cc1n[nH]cc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000037155858 397992139 /nfs/dbraw/zinc/99/21/39/397992139.db2.gz LTJMABAOHZRTMN-VIFPVBQESA-N 1 0 219.292 1.093 50 0 BDAARO CC[C@@H](C(=O)NCCc1ccc[nH]1)[NH+](C)C ZINC000089353159 398130829 /nfs/dbraw/zinc/13/08/29/398130829.db2.gz GRKRRJTYBGZZLB-NSHDSACASA-N 1 0 223.320 1.014 50 0 BDAARO COCCC[NH2+][C@H](C)[C@@H](C)n1cccn1 ZINC000075606624 398130956 /nfs/dbraw/zinc/13/09/56/398130956.db2.gz PQKHWDNIWZLAJY-GHMZBOCLSA-N 1 0 211.309 1.459 50 0 BDAARO Cc1c[nH]c(CN2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)n1 ZINC000670471643 487529586 /nfs/dbraw/zinc/52/95/86/487529586.db2.gz RPSPOHTWCXNBTP-STQMWFEESA-N 1 0 248.374 1.634 50 0 BDAARO CCc1nsc(N2CCN(C)C(C)(C)C2)n1 ZINC000585092252 487577530 /nfs/dbraw/zinc/57/75/30/487577530.db2.gz LUQYTMCXCOPHEJ-UHFFFAOYSA-N 1 0 240.376 1.631 50 0 BDAARO CC(C)OC[C@H](C)[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000225718129 167266285 /nfs/dbraw/zinc/26/62/85/167266285.db2.gz QZFOIWCWZRARQA-SDDRHHMPSA-N 1 0 213.321 1.327 50 0 BDAARO CC(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000020183708 167318508 /nfs/dbraw/zinc/31/85/08/167318508.db2.gz KGQQCKRDHAEZQL-JTQLQIEISA-N 1 0 219.350 1.342 50 0 BDAARO C[NH2+][C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000016697007 409661004 /nfs/dbraw/zinc/66/10/04/409661004.db2.gz VKEQBMCRQDSRET-ZETCQYMHSA-N 1 0 207.229 1.206 50 0 in-vitro BDAARO Brc1cc2c([nH]1)CC[NH2+]C2 ZINC000082382355 166096718 /nfs/dbraw/zinc/09/67/18/166096718.db2.gz ZZTLMTJDLVSMJT-UHFFFAOYSA-N 1 0 201.067 1.423 50 0 BDAARO Brc1cccc(COC2C[NH2+]C2)c1 ZINC000042770098 166101358 /nfs/dbraw/zinc/10/13/58/166101358.db2.gz CSJNJFPKQSDBCZ-UHFFFAOYSA-N 1 0 242.116 1.938 50 0 BDAARO Brc1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000043501473 166106098 /nfs/dbraw/zinc/10/60/98/166106098.db2.gz RIPZJPGXUJQILM-MRVPVSSYSA-N 1 0 230.109 1.570 50 0 BDAARO CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COC)C1(C)C ZINC000084800701 410535031 /nfs/dbraw/zinc/53/50/31/410535031.db2.gz OSTWVPVNCLPQQW-SDDRHHMPSA-N 1 0 245.363 1.129 50 0 BDAARO CC[NH+](CC)CCN1CCOCC1(C)C ZINC000097050794 169777793 /nfs/dbraw/zinc/77/77/93/169777793.db2.gz SROBTTHQAHSVEU-UHFFFAOYSA-N 1 0 214.353 1.439 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000000374365 167112043 /nfs/dbraw/zinc/11/20/43/167112043.db2.gz ONXLHKFGTDDVLQ-LLVKDONJSA-N 1 0 209.289 1.424 50 0 in-vivo BDAARO CC(C)[NH2+]Cc1nc2ccccc2c(=O)[nH]1 ZINC000019770059 167120212 /nfs/dbraw/zinc/12/02/12/167120212.db2.gz DZANRMGVFWERGK-UHFFFAOYSA-N 1 0 217.272 1.421 50 0 BDAARO CC(C)OCC[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000069632218 167244811 /nfs/dbraw/zinc/24/48/11/167244811.db2.gz MTUSFQZZHYOOJT-NWDGAFQWSA-N 1 0 225.336 1.847 50 0 BDAARO CC(C)OC[C@@H](O)C[NH+]1CCCCC1 ZINC000004991169 167260712 /nfs/dbraw/zinc/26/07/12/167260712.db2.gz CXKIBZQUUMGOCK-NSHDSACASA-N 1 0 201.310 1.258 50 0 BDAARO CC[NH+](CC)CCCN1CCO[C@H](C)[C@H]1C ZINC000248954672 411172172 /nfs/dbraw/zinc/17/21/72/411172172.db2.gz BJXFTPPTFODYIE-CHWSQXEVSA-N 1 0 228.380 1.828 50 0 BDAARO CC1(C)CCC[C@H]1[NH2+]C[C@]1(O)CCOC1 ZINC000090850539 167914985 /nfs/dbraw/zinc/91/49/85/167914985.db2.gz AHNGMAKFBVWKAH-ZYHUDNBSSA-N 1 0 213.321 1.306 50 0 BDAARO CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000191121642 168101395 /nfs/dbraw/zinc/10/13/95/168101395.db2.gz HEAGBAXFHQWYDG-RFGFWPKPSA-N 1 0 239.359 1.406 50 0 BDAARO CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1nncn1C ZINC000133986471 168101424 /nfs/dbraw/zinc/10/14/24/168101424.db2.gz RNVYGBHACZKEJR-NEPJUHHUSA-N 1 0 234.347 1.897 50 0 BDAARO CC1=C(C)[N+](=O)[C@H]2N(N1)C(=S)SC2(C)C ZINC000005442864 168135160 /nfs/dbraw/zinc/13/51/60/168135160.db2.gz VAKPQLPMCXSXFJ-SSDOTTSWSA-N 1 0 243.357 1.786 50 0 BDAARO CC1CCC([NH+]2CCN(CCO)CC2)CC1 ZINC000022455788 168158981 /nfs/dbraw/zinc/15/89/81/168158981.db2.gz DNSQWJPPAQJSOU-UHFFFAOYSA-N 1 0 226.364 1.175 50 0 BDAARO CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000012946811 168186779 /nfs/dbraw/zinc/18/67/79/168186779.db2.gz PMHGSFSYBYGAHH-ZDUSSCGKSA-N 1 0 232.327 1.945 50 0 BDAARO CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000084791008 170071544 /nfs/dbraw/zinc/07/15/44/170071544.db2.gz VEZMAIZBAWLWCC-WDEREUQCSA-N 1 0 227.352 1.378 50 0 BDAARO CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000049371155 170080248 /nfs/dbraw/zinc/08/02/48/170080248.db2.gz SWLHFQPGMXUBBI-ZDUSSCGKSA-N 1 0 249.358 1.917 50 0 BDAARO CCNC(=O)[C@H](C)[NH2+]C1Cc2ccccc2C1 ZINC000036795344 170094736 /nfs/dbraw/zinc/09/47/36/170094736.db2.gz OEXBBQPWZUQSBY-JTQLQIEISA-N 1 0 232.327 1.268 50 0 BDAARO CC[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000002036824 170109796 /nfs/dbraw/zinc/10/97/96/170109796.db2.gz WRMRXPASUROZGT-UHFFFAOYSA-N 1 0 206.289 1.851 50 0 world BDAARO CC[NH2+]CC(=O)NCc1ccc(Cl)cc1 ZINC000002650120 170109842 /nfs/dbraw/zinc/10/98/42/170109842.db2.gz YFURYGDITSLJFZ-UHFFFAOYSA-N 1 0 226.707 1.566 50 0 BDAARO CC[NH2+]CCc1nc2cc(F)ccc2[nH]1 ZINC000019089166 170117939 /nfs/dbraw/zinc/11/79/39/170117939.db2.gz WJQCOAYHCQSXPZ-UHFFFAOYSA-N 1 0 207.252 1.854 50 0 BDAARO CC[NH2+]C[C@H](O)COc1ccc(C)cc1OC ZINC000003117204 170122253 /nfs/dbraw/zinc/12/22/53/170122253.db2.gz GLLCAPGOMRQWDH-NSHDSACASA-N 1 0 239.315 1.353 50 0 BDAARO CC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000019476128 170131049 /nfs/dbraw/zinc/13/10/49/170131049.db2.gz RGBRYRICPBNDGO-UHFFFAOYSA-N 1 0 201.273 1.982 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1ccc(OC)cc1 ZINC000000140751 170234039 /nfs/dbraw/zinc/23/40/39/170234039.db2.gz UFUNPGDQFVGWDX-NSHDSACASA-N 1 0 223.272 1.648 50 0 BDAARO CCOC(=O)[C@H]1CC[NH2+]C[C@H]1c1ccccc1 ZINC000004183252 170281087 /nfs/dbraw/zinc/28/10/87/170281087.db2.gz RPMFBTVTRSNKTD-STQMWFEESA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)[C@](C)(C[NH3+])c1ccccc1 ZINC000075614555 170283563 /nfs/dbraw/zinc/28/35/63/170283563.db2.gz LKNVZDGIZXPBME-GFCCVEGCSA-N 1 0 207.273 1.466 50 0 BDAARO CCOC(=O)c1ccc2[nH+]ccc(N)c2c1 ZINC000091692880 170298280 /nfs/dbraw/zinc/29/82/80/170298280.db2.gz SDKZZVMTGSJGDB-UHFFFAOYSA-N 1 0 216.240 1.994 50 0 BDAARO CCOCCCNC1=[NH+]C(C)(C)CS1 ZINC000003885646 170381022 /nfs/dbraw/zinc/38/10/22/170381022.db2.gz HJWBUXFVLJIYEK-UHFFFAOYSA-N 1 0 216.350 1.884 50 0 BDAARO CCOCC[NH2+][C@H](C)Cn1cc(C)cn1 ZINC000069569660 170414647 /nfs/dbraw/zinc/41/46/47/170414647.db2.gz MNTOUBMIVDOWKI-LLVKDONJSA-N 1 0 211.309 1.206 50 0 BDAARO CCc1nc(NCC2([NH+](C)C)CCCC2)no1 ZINC000534657537 411786349 /nfs/dbraw/zinc/78/63/49/411786349.db2.gz RAWUUSWRVWOJPA-UHFFFAOYSA-N 1 0 238.335 1.918 50 0 BDAARO CC[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000097019858 171003528 /nfs/dbraw/zinc/00/35/28/171003528.db2.gz JWNYKMDADUNAHQ-LLVKDONJSA-N 1 0 224.348 1.764 50 0 BDAARO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000036770000 171066763 /nfs/dbraw/zinc/06/67/63/171066763.db2.gz VVNHDJPJKOPMMB-OLZOCXBDSA-N 1 0 248.326 1.324 50 0 BDAARO CC[C@@H]1C[N@@H+](C2CCSCC2)CCN1C ZINC000032511758 171075396 /nfs/dbraw/zinc/07/53/96/171075396.db2.gz UTUAMLTVUSYSLV-LLVKDONJSA-N 1 0 228.405 1.908 50 0 BDAARO CC[C@@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000022913509 171101170 /nfs/dbraw/zinc/10/11/70/171101170.db2.gz RPNXMSHPLCRYIM-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO CC[C@@H]1CO[C@H](C)CN1CC(=O)N(CC)CC ZINC000044888963 171111671 /nfs/dbraw/zinc/11/16/71/171111671.db2.gz UYJRIEJMJMSBQQ-VXGBXAGGSA-N 1 0 242.363 1.354 50 0 BDAARO CC[C@@]1([NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000076644611 171213230 /nfs/dbraw/zinc/21/32/30/171213230.db2.gz ZEPFYHXWIXUZJB-LLVKDONJSA-N 1 0 214.309 1.735 50 0 BDAARO CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC1 ZINC000084721831 171306663 /nfs/dbraw/zinc/30/66/63/171306663.db2.gz KMKHIDHYZBQNGC-VIFPVBQESA-N 1 0 213.325 1.178 50 0 BDAARO CC[C@H](C)NC(=O)c1cccc(C[NH3+])c1 ZINC000022150437 171337092 /nfs/dbraw/zinc/33/70/92/171337092.db2.gz UGXANNZSHQYPTI-VIFPVBQESA-N 1 0 206.289 1.674 50 0 BDAARO CC[C@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000036768901 171652706 /nfs/dbraw/zinc/65/27/06/171652706.db2.gz ABTCGKSMBXKPHM-ZDUSSCGKSA-N 1 0 248.326 1.396 50 0 BDAARO CCc1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1 ZINC000227974026 171808135 /nfs/dbraw/zinc/80/81/35/171808135.db2.gz QPUQCUQIHNCCLS-SWLSCSKDSA-N 1 0 249.354 1.879 50 0 BDAARO CCc1ccc(NC(=O)C[NH2+]C[C@H](C)O)cc1 ZINC000003342428 171817931 /nfs/dbraw/zinc/81/79/31/171817931.db2.gz SXISHBAYEUBTMM-JTQLQIEISA-N 1 0 236.315 1.158 50 0 BDAARO CCc1[nH+]c2cc(N)ccc2n1CCO ZINC000004945324 172010343 /nfs/dbraw/zinc/01/03/43/172010343.db2.gz IFIFVEIXLKDMEW-UHFFFAOYSA-N 1 0 205.261 1.173 50 0 BDAARO CCc1ncc(C(=O)NCC[N@@H+](C)CC)s1 ZINC000065404045 172016052 /nfs/dbraw/zinc/01/60/52/172016052.db2.gz JRHUAPRHNILMCZ-UHFFFAOYSA-N 1 0 241.360 1.387 50 0 BDAARO CCC1SC(=[N+](C)C)SC1=S ZINC000014628732 172128260 /nfs/dbraw/zinc/12/82/60/172128260.db2.gz DTQFTECKOIIGHA-UHFFFAOYSA-O 1 0 206.381 1.693 50 0 BDAARO CCn1c2ccccc2nc1N1CCC([NH3+])CC1 ZINC000043220236 172146430 /nfs/dbraw/zinc/14/64/30/172146430.db2.gz RSEZCSZICHDHOC-UHFFFAOYSA-N 1 0 244.342 1.984 50 0 BDAARO CCn1ccc(NC(=O)CC2CC[NH2+]CC2)n1 ZINC000072343350 172202040 /nfs/dbraw/zinc/20/20/40/172202040.db2.gz AABIEXDZNWNCEV-UHFFFAOYSA-N 1 0 236.319 1.231 50 0 BDAARO CN(C(=O)/C=C/c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000328596126 172293873 /nfs/dbraw/zinc/29/38/73/172293873.db2.gz TXFZIKDKRUVREH-SYTKJHMZSA-N 1 0 248.301 1.659 50 0 BDAARO CN(C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100559 172354673 /nfs/dbraw/zinc/35/46/73/172354673.db2.gz QXZGWHKBOHKMFV-UHFFFAOYSA-N 1 0 246.354 1.987 50 0 BDAARO CN(C)C(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000069529925 172363404 /nfs/dbraw/zinc/36/34/04/172363404.db2.gz BBFZYAIHKDDRLA-UHFFFAOYSA-N 1 0 246.354 1.954 50 0 BDAARO C[NH+](C)CCCNC(=S)Nc1ccccc1 ZINC000002372174 172439967 /nfs/dbraw/zinc/43/99/67/172439967.db2.gz YLIDXGCVFKDJHR-UHFFFAOYSA-N 1 0 237.372 1.925 50 0 BDAARO CN(CC[NH+](C)C)C(=O)c1ccccc1 ZINC000071773635 172452374 /nfs/dbraw/zinc/45/23/74/172452374.db2.gz PHEVAYWCEHMFME-UHFFFAOYSA-N 1 0 206.289 1.320 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000095410761 173004611 /nfs/dbraw/zinc/00/46/11/173004611.db2.gz BHFNEAUFPOYSFB-FRRDWIJNSA-N 1 0 236.359 1.729 50 0 BDAARO CN1CCO[C@H](C[NH2+]Cc2ccsc2)C1 ZINC000069351358 173106705 /nfs/dbraw/zinc/10/67/05/173106705.db2.gz FPFLDUXWULMMJI-LLVKDONJSA-N 1 0 226.345 1.168 50 0 BDAARO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2)C1 ZINC000074904969 173114844 /nfs/dbraw/zinc/11/48/44/173114844.db2.gz PVSXJFFQOKIOJG-NSHDSACASA-N 1 0 233.315 1.760 50 0 BDAARO CNC(=O)C1CC[NH+](CCc2ccncc2)CC1 ZINC000025754980 173224217 /nfs/dbraw/zinc/22/42/17/173224217.db2.gz NSQKWSMLMYWGIX-UHFFFAOYSA-N 1 0 247.342 1.082 50 0 BDAARO CNC(=O)CC[NH2+][C@H](C)c1ccccc1 ZINC000008244225 173260166 /nfs/dbraw/zinc/26/01/66/173260166.db2.gz PBGCDCYQKSRETP-SNVBAGLBSA-N 1 0 206.289 1.473 50 0 BDAARO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089297 173274176 /nfs/dbraw/zinc/27/41/76/173274176.db2.gz RDKILZFTIFWWJS-SNVBAGLBSA-N 1 0 224.329 1.631 50 0 BDAARO CNC(=O)C[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000038526341 173281466 /nfs/dbraw/zinc/28/14/66/173281466.db2.gz WJIHCGUHCBAXFN-MRVPVSSYSA-N 1 0 230.670 1.615 50 0 BDAARO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000048963149 173307067 /nfs/dbraw/zinc/30/70/67/173307067.db2.gz JIOSNSGURRVEHH-GFCCVEGCSA-N 1 0 218.300 1.397 50 0 BDAARO C[NH2+]C/C=C/COc1ccc(OC)cc1 ZINC000016623463 173321241 /nfs/dbraw/zinc/32/12/41/173321241.db2.gz GJYADLOEUVVLFS-ONEGZZNKSA-N 1 0 207.273 1.850 50 0 BDAARO C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000037653801 173322614 /nfs/dbraw/zinc/32/26/14/173322614.db2.gz FJOZONKRMICPLS-UHFFFAOYSA-N 1 0 218.300 1.511 50 0 BDAARO C[NH2+]CC(=O)NCc1csc2c1CCCC2 ZINC000071748066 173330259 /nfs/dbraw/zinc/33/02/59/173330259.db2.gz RLKOAPJTWSBELJ-UHFFFAOYSA-N 1 0 238.356 1.463 50 0 BDAARO C[NH2+]CCCC(=O)NCCc1ccc(C)cc1C ZINC000237167698 173344342 /nfs/dbraw/zinc/34/43/42/173344342.db2.gz XAPRMXHKNSHGEX-UHFFFAOYSA-N 1 0 248.370 1.962 50 0 BDAARO C[NH2+]CCN(C)C(=O)c1ccnc(Cl)c1 ZINC000069803047 173352569 /nfs/dbraw/zinc/35/25/69/173352569.db2.gz SLAZRKZOUIKCBS-UHFFFAOYSA-N 1 0 227.695 1.026 50 0 BDAARO C[NH2+]C[C@@]12CCC[C@H]1N(CCOC)C(=O)CC2 ZINC000096310105 173373188 /nfs/dbraw/zinc/37/31/88/173373188.db2.gz DHLGKQOERTVCRN-YPMHNXCESA-N 1 0 240.347 1.014 50 0 BDAARO C[NH2+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000008879261 173388008 /nfs/dbraw/zinc/38/80/08/173388008.db2.gz HOXBKJLVDHSBOU-UHFFFAOYSA-N 1 0 228.295 1.667 50 0 biogenic BDAARO C[NH2+]Cc1ccc(OC)c(OC)c1OC ZINC000003886959 173389084 /nfs/dbraw/zinc/38/90/84/173389084.db2.gz UKXJEMBFGQCTOB-UHFFFAOYSA-N 1 0 211.261 1.432 50 0 BDAARO COC(=O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000096005935 173503484 /nfs/dbraw/zinc/50/34/84/173503484.db2.gz JGCUQQWTFCIAMA-NXEZZACHSA-N 1 0 213.321 1.964 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC000002386739 173823034 /nfs/dbraw/zinc/82/30/34/173823034.db2.gz RHZYPIMJMZIAGF-MNOVXSKESA-N 1 0 205.257 1.163 50 0 BDAARO COCCC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000047859170 174229226 /nfs/dbraw/zinc/22/92/26/174229226.db2.gz VRPOFILKNWZXLC-UHFFFAOYSA-N 1 0 240.347 1.014 50 0 BDAARO COCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000003318511 174247109 /nfs/dbraw/zinc/24/71/09/174247109.db2.gz ALXODZXLSJFYNI-GFCCVEGCSA-N 1 0 209.289 1.346 50 0 BDAARO COCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058404122 174305240 /nfs/dbraw/zinc/30/52/40/174305240.db2.gz NARULFLVLPRYBB-UHFFFAOYSA-N 1 0 209.293 1.236 50 0 BDAARO COCCN1CCC[N@H+](CC(C)C)CC1 ZINC000069949780 174306539 /nfs/dbraw/zinc/30/65/39/174306539.db2.gz JBCBOLIBAOJHHB-UHFFFAOYSA-N 1 0 214.353 1.297 50 0 BDAARO COCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000097200904 174314337 /nfs/dbraw/zinc/31/43/37/174314337.db2.gz TUILGEREYSLOOE-CYBMUJFWSA-N 1 0 249.358 1.770 50 0 BDAARO COCC[C@@H]1CCOC2(CC[NH2+]CC2)C1 ZINC000169676809 174398550 /nfs/dbraw/zinc/39/85/50/174398550.db2.gz AYHLJFUMSLWNSA-LLVKDONJSA-N 1 0 213.321 1.572 50 0 BDAARO COC[C@@H](C)[NH2+]CCCc1c(C)n[nH]c1C ZINC000067868381 174456826 /nfs/dbraw/zinc/45/68/26/174456826.db2.gz JNJHDKILKHTUJE-SECBINFHSA-N 1 0 225.336 1.584 50 0 BDAARO COC[C@H](O)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000097054816 174597875 /nfs/dbraw/zinc/59/78/75/174597875.db2.gz LBRSYOOVFTUWDG-LLVKDONJSA-N 1 0 243.734 1.745 50 0 BDAARO COc1cc(OC)c(OC)cc1C[NH2+]C1CC1 ZINC000006704520 175007117 /nfs/dbraw/zinc/00/71/17/175007117.db2.gz AWMJZXHBBNPNBJ-UHFFFAOYSA-N 1 0 237.299 1.964 50 0 BDAARO COc1cc(OC)cc(N2CCC[NH2+]CC2)c1 ZINC000049660547 175010220 /nfs/dbraw/zinc/01/02/20/175010220.db2.gz BNWBWXFWPXNZSW-UHFFFAOYSA-N 1 0 236.315 1.504 50 0 BDAARO COc1ccc(-c2nc(C[NH3+])co2)cc1 ZINC000019723006 175040037 /nfs/dbraw/zinc/04/00/37/175040037.db2.gz ARUADPINZQKRCD-UHFFFAOYSA-N 1 0 204.229 1.809 50 0 BDAARO COc1ccc(CC[NH3+])cc1OC(F)F ZINC000019263701 175090276 /nfs/dbraw/zinc/09/02/76/175090276.db2.gz WBMGERDZFKGHCN-UHFFFAOYSA-N 1 0 217.215 1.798 50 0 BDAARO COc1ccc(C[NH3+])cc1OC(F)F ZINC000021968858 175097363 /nfs/dbraw/zinc/09/73/63/175097363.db2.gz DOSLRTFWKQNLDB-UHFFFAOYSA-N 1 0 203.188 1.755 50 0 BDAARO COc1ccc(C[NH2+][C@H](CO)C(C)C)cn1 ZINC000097147584 175110664 /nfs/dbraw/zinc/11/06/64/175110664.db2.gz IVQLCSGVBRMYQA-LLVKDONJSA-N 1 0 224.304 1.197 50 0 BDAARO COc1ccc(F)cc1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097495086 175127187 /nfs/dbraw/zinc/12/71/87/175127187.db2.gz HHNXVLYTYHXJAJ-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO COc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000019410674 175145235 /nfs/dbraw/zinc/14/52/35/175145235.db2.gz OPHMOYRPIPIIHP-SNVBAGLBSA-N 1 0 234.299 1.633 50 0 BDAARO COc1ccc([C@H]([NH3+])CO)cc1Cl ZINC000012404640 175191703 /nfs/dbraw/zinc/19/17/03/175191703.db2.gz CBAZHIJEXPNXOM-MRVPVSSYSA-N 1 0 201.653 1.341 50 0 BDAARO C=C1C(C(C)=O)[N+](=O)c2cc(OC)ccc2N1O ZINC000104114341 175217222 /nfs/dbraw/zinc/21/72/22/175217222.db2.gz ZNCKVRGQWYHFFA-UHFFFAOYSA-N 1 0 249.246 1.313 50 0 BDAARO COc1ccc2c(cc3n2CCNC3=[NH2+])c1 ZINC000000379046 175218993 /nfs/dbraw/zinc/21/89/93/175218993.db2.gz KYHGGLUWYDUESO-UHFFFAOYSA-N 1 0 215.256 1.369 50 0 biogenic BDAARO COc1ccc2oc(=O)cc(C[NH3+])c2c1 ZINC000045918563 175231145 /nfs/dbraw/zinc/23/11/45/175231145.db2.gz IMUYIACEJDEDGW-UHFFFAOYSA-N 1 0 205.213 1.260 50 0 BDAARO COc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1F ZINC000095358701 175236242 /nfs/dbraw/zinc/23/62/42/175236242.db2.gz VVYKOJMFGCTTLU-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO COc1cccc(CC2(O)CC[NH2+]CC2)c1 ZINC000020439047 175250801 /nfs/dbraw/zinc/25/08/01/175250801.db2.gz HXNKGHJXINBQKN-UHFFFAOYSA-N 1 0 221.300 1.352 50 0 BDAARO COc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000000759082 175258476 /nfs/dbraw/zinc/25/84/76/175258476.db2.gz ABXNXRUVNACULP-GFCCVEGCSA-N 1 0 221.300 1.652 50 0 BDAARO COc1cccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000095420685 175267060 /nfs/dbraw/zinc/26/70/60/175267060.db2.gz LKCYYNHJDODCET-QWHCGFSZSA-N 1 0 233.311 1.722 50 0 BDAARO COc1cccc(C[C@H]2CCC[N@@H+]2CC(N)=O)c1 ZINC000071811735 175272525 /nfs/dbraw/zinc/27/25/25/175272525.db2.gz DYRLORYRDPQHDV-GFCCVEGCSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC000012359724 175284680 /nfs/dbraw/zinc/28/46/80/175284680.db2.gz WOXIEWHYYNLTGH-LBPRGKRZSA-N 1 0 207.273 1.826 50 0 BDAARO COc1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1 ZINC000004637219 175290824 /nfs/dbraw/zinc/29/08/24/175290824.db2.gz QEHYLSHVAOVOEZ-LBPRGKRZSA-N 1 0 229.283 1.653 50 0 biogenic BDAARO COc1cccc2c1O[C@@]1(O)CC[N@H+](C)C[C@@H]1C2 ZINC000101366873 175305109 /nfs/dbraw/zinc/30/51/09/175305109.db2.gz ATSWJHVQQMWTTL-FZMZJTMJSA-N 1 0 249.310 1.270 50 0 BDAARO COc1ccccc1N1CC[NH2+][C@@H](C)CC1 ZINC000049660835 175335840 /nfs/dbraw/zinc/33/58/40/175335840.db2.gz LLRXTHCYGIMTOI-NSHDSACASA-N 1 0 220.316 1.883 50 0 BDAARO COc1ccccc1N1CC[C@H](C[NH3+])C1 ZINC000011891658 175336191 /nfs/dbraw/zinc/33/61/91/175336191.db2.gz CVGYDKVFXXSBNS-SNVBAGLBSA-N 1 0 206.289 1.480 50 0 BDAARO C[C@@H]([NH3+])c1ccc(NS(C)(=O)=O)cc1 ZINC000022173778 175817546 /nfs/dbraw/zinc/81/75/46/175817546.db2.gz DCEDNQCQVNFNSU-SSDOTTSWSA-N 1 0 214.290 1.078 50 0 BDAARO C[C@@H](Oc1ccccc1)C(=O)NCC[NH+](C)C ZINC000006416044 176005368 /nfs/dbraw/zinc/00/53/68/176005368.db2.gz JMOHXVCXZDVMNE-LLVKDONJSA-N 1 0 236.315 1.132 50 0 BDAARO C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)CC[NH3+] ZINC000225465673 176051717 /nfs/dbraw/zinc/05/17/17/176051717.db2.gz UFBQJLDWTLCMCT-NXEZZACHSA-N 1 0 212.337 1.666 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(F)F ZINC000308844870 176068413 /nfs/dbraw/zinc/06/84/13/176068413.db2.gz OWELMBPGDZNTPM-SFYZADRCSA-N 1 0 220.263 1.370 50 0 BDAARO C[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)[C@H]1C[NH3+] ZINC000252216046 176092440 /nfs/dbraw/zinc/09/24/40/176092440.db2.gz XSKJHARKBMIJML-UTUOFQBUSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@@H]1CCCN(C(=O)c2cccn2C)[C@@H]1C[NH3+] ZINC000070176534 176095745 /nfs/dbraw/zinc/09/57/45/176095745.db2.gz YTWKEDSVXWKYIB-ZYHUDNBSSA-N 1 0 235.331 1.225 50 0 BDAARO C[C@@H]1CCN(Cc2ccccc2)CC[NH2+]1 ZINC000022921689 176175693 /nfs/dbraw/zinc/17/56/93/176175693.db2.gz PQJUKENLCKCHQX-GFCCVEGCSA-N 1 0 204.317 1.870 50 0 BDAARO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C[NH2+]1 ZINC000062036929 176226166 /nfs/dbraw/zinc/22/61/66/176226166.db2.gz NXXUMFZHNHWZLA-ZJUUUORDSA-N 1 0 228.336 1.899 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000023280897 176233707 /nfs/dbraw/zinc/23/37/07/176233707.db2.gz RLFHTJXOVOJYET-OUAUKWLOSA-N 1 0 210.321 1.433 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)C[C@H]1C ZINC000251551695 176234608 /nfs/dbraw/zinc/23/46/08/176234608.db2.gz BAKPVAVNBBJVPQ-WYUUTHIRSA-N 1 0 245.388 1.588 50 0 BDAARO C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1C ZINC000086011814 176242879 /nfs/dbraw/zinc/24/28/79/176242879.db2.gz KCVIRWCBBZUZTN-PHIMTYICSA-N 1 0 224.348 1.620 50 0 BDAARO C[C@@H]1CN(C(=O)CC[NH3+])[C@@H](c2ccccc2)CO1 ZINC000237410040 176245429 /nfs/dbraw/zinc/24/54/29/176245429.db2.gz WYZKQAIULGZMIN-DGCLKSJQSA-N 1 0 248.326 1.324 50 0 BDAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000034104302 176306102 /nfs/dbraw/zinc/30/61/02/176306102.db2.gz FMHMBUYJMBGGPO-YPMHNXCESA-N 1 0 205.301 1.889 50 0 BDAARO C[C@@H]1C[NH2+]C[C@H]1NC(=O)OCc1ccccc1 ZINC000075824232 176329946 /nfs/dbraw/zinc/32/99/46/176329946.db2.gz ORIALMRPKUNXMM-ZYHUDNBSSA-N 1 0 234.299 1.521 50 0 BDAARO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCNC2=O)C1 ZINC000010035762 176361970 /nfs/dbraw/zinc/36/19/70/176361970.db2.gz KDTSCLRFQHVKFR-IJLUTSLNSA-N 1 0 224.348 1.633 50 0 BDAARO C[C@@]([NH3+])(CO)c1cccc(Br)c1 ZINC000038124532 176512211 /nfs/dbraw/zinc/51/22/11/176512211.db2.gz YZTHTUJFBRUOSD-SECBINFHSA-N 1 0 230.105 1.615 50 0 BDAARO C[C@H](CNC(=O)C1CCC1)C[NH+]1CCCC1 ZINC000055538808 176671918 /nfs/dbraw/zinc/67/19/18/176671918.db2.gz DPNKDPHGLDHYRF-LLVKDONJSA-N 1 0 224.348 1.635 50 0 BDAARO C[C@H](CNC(=O)c1ccsc1)[NH+]1CCCC1 ZINC000042504835 176678286 /nfs/dbraw/zinc/67/82/86/176678286.db2.gz FYLDCYGIBPEMOR-SNVBAGLBSA-N 1 0 238.356 1.962 50 0 BDAARO C[C@H]([NH3+])c1ccc(N2CCCC2=O)cc1 ZINC000057217548 176776788 /nfs/dbraw/zinc/77/67/88/176776788.db2.gz IIPWVKDPLQHHNR-VIFPVBQESA-N 1 0 204.273 1.833 50 0 BDAARO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH3+])C1=O ZINC000070494980 177033789 /nfs/dbraw/zinc/03/37/89/177033789.db2.gz LTCIPWRLCAOSSM-BXKDBHETSA-N 1 0 236.290 1.836 50 0 BDAARO C[C@H]1C(c2ccccc2)[N+](=O)C(C)(C)N1O ZINC000000201548 177061024 /nfs/dbraw/zinc/06/10/24/177061024.db2.gz YEAXBZFAJJXKTD-VIFPVBQESA-N 1 0 220.272 1.815 50 0 BDAARO C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)S(C)(=O)=O ZINC000097163486 177082663 /nfs/dbraw/zinc/08/26/63/177082663.db2.gz MYUBUYJMUYMNBT-QWRGUYRKSA-N 1 0 248.392 1.046 50 0 BDAARO C[C@H]1CCCC[C@H]1OCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000237563673 177089502 /nfs/dbraw/zinc/08/95/02/177089502.db2.gz KYNCUGOBBODYQY-QJPTWQEYSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@H]1CCCN(C(=O)C2CCCC2)[C@H]1C[NH3+] ZINC000069726121 177091172 /nfs/dbraw/zinc/09/11/72/177091172.db2.gz OFDJKRXKBJGAKI-JQWIXIFHSA-N 1 0 224.348 1.762 50 0 BDAARO C[C@H]1CCCN(C(=O)C2CCC2)[C@@H]1C[NH3+] ZINC000069726566 177091387 /nfs/dbraw/zinc/09/13/87/177091387.db2.gz TWHODMUGBDIUMO-GXSJLCMTSA-N 1 0 210.321 1.372 50 0 BDAARO C[C@H]1CCC[N@H+](CCCCNC(=O)C(F)F)C1 ZINC000225622457 177098216 /nfs/dbraw/zinc/09/82/16/177098216.db2.gz PPEFBDSNTQYAKD-JTQLQIEISA-N 1 0 248.317 1.880 50 0 BDAARO C[C@H]1CCN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000045672821 177151299 /nfs/dbraw/zinc/15/12/99/177151299.db2.gz SVMXIQUBNSPVCB-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000032914999 177204848 /nfs/dbraw/zinc/20/48/48/177204848.db2.gz NNMBHCRWGGSRBE-IUCAKERBSA-N 1 0 214.309 1.652 50 0 BDAARO C[C@@H]1CO[C@@H](C)CN1C(=O)CC1CC[NH2+]CC1 ZINC000035788799 177214739 /nfs/dbraw/zinc/21/47/39/177214739.db2.gz ARCCYCWHJBSGFD-MNOVXSKESA-N 1 0 240.347 1.012 50 0 BDAARO C[C@H]1CN(C(=O)OCc2ccccc2)CC[NH2+]1 ZINC000005240567 177221854 /nfs/dbraw/zinc/22/18/54/177221854.db2.gz JRPIQMPFKMFAOX-NSHDSACASA-N 1 0 234.299 1.617 50 0 BDAARO C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000035571221 177222158 /nfs/dbraw/zinc/22/21/58/177222158.db2.gz DUBXUUPBIKNFEA-JGVFFNPUSA-N 1 0 200.282 1.201 50 0 BDAARO C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)C[C@@H]1C ZINC000170596720 177332277 /nfs/dbraw/zinc/33/22/77/177332277.db2.gz AQDIBQCAKONPGF-MROQNXINSA-N 1 0 227.348 1.552 50 0 BDAARO C[C@H]1C[C@H](O)C[N@@H+]1CC1CC(F)(F)C1 ZINC000307732750 177374011 /nfs/dbraw/zinc/37/40/11/177374011.db2.gz MBPTZZRGCORQTJ-CBAPKCEASA-N 1 0 205.248 1.487 50 0 BDAARO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1C ZINC000299748033 177426099 /nfs/dbraw/zinc/42/60/99/177426099.db2.gz FXJSYDRITUJHMZ-MDZLAQPJSA-N 1 0 232.327 1.943 50 0 BDAARO Cc1ccccc1/C=C\C(=O)N1CC[NH2+][C@H](C)C1 ZINC000255516041 322932820 /nfs/dbraw/zinc/93/28/20/322932820.db2.gz RUGQYRJXOLOQBX-MEJMFZKBSA-N 1 0 244.338 1.829 50 0 BDAARO CCc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000046275452 487676187 /nfs/dbraw/zinc/67/61/87/487676187.db2.gz QCDZFLFYOFTMKO-NSHDSACASA-N 1 0 234.343 1.929 50 0 BDAARO CCN(C[C@H]1CCCO1)C(=O)CC(C)(C)[NH3+] ZINC000082772299 487730814 /nfs/dbraw/zinc/73/08/14/487730814.db2.gz OZUPWIDWTJLUIP-SNVBAGLBSA-N 1 0 228.336 1.141 50 0 BDAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CCn1cncn1 ZINC000107145221 487806332 /nfs/dbraw/zinc/80/63/32/487806332.db2.gz NJXXGWDQBDHXFI-WDEREUQCSA-N 1 0 240.376 1.494 50 0 BDAARO C[C@H](CCn1cccn1)[NH2+]CCc1ncc[nH]1 ZINC000534581860 323154003 /nfs/dbraw/zinc/15/40/03/323154003.db2.gz XZRVTMSTCRKZOW-LLVKDONJSA-N 1 0 233.319 1.217 50 0 BDAARO CSCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000534581820 323154062 /nfs/dbraw/zinc/15/40/62/323154062.db2.gz UXZQAOIBKOSSRV-SNVBAGLBSA-N 1 0 244.404 1.586 50 0 BDAARO C[C@@H](CCn1cccn1)[NH2+]CCc1ncc[nH]1 ZINC000534581864 323154069 /nfs/dbraw/zinc/15/40/69/323154069.db2.gz XZRVTMSTCRKZOW-NSHDSACASA-N 1 0 233.319 1.217 50 0 BDAARO O=C([C@H]1CC=CCC1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534584934 323154199 /nfs/dbraw/zinc/15/41/99/323154199.db2.gz UUWHKFYLESZLQU-PDWCTOEPSA-N 1 0 246.354 1.552 50 0 BDAARO O=C(C[C@H]1C=CCC1)N1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000534591668 323154386 /nfs/dbraw/zinc/15/43/86/323154386.db2.gz YTBODJXIPLPHFJ-PDWCTOEPSA-N 1 0 246.354 1.552 50 0 BDAARO C[C@H]1C[NH2+]CCN1Cc1ccc2cc[nH]c2n1 ZINC000534633513 323156841 /nfs/dbraw/zinc/15/68/41/323156841.db2.gz USLHMXBMTAEXAA-JTQLQIEISA-N 1 0 230.315 1.357 50 0 BDAARO CC1(C)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000230660103 323388216 /nfs/dbraw/zinc/38/82/16/323388216.db2.gz ZHXJDTCCSIXSGH-VIFPVBQESA-N 1 0 209.289 1.908 50 0 BDAARO O=C(NCCc1ccco1)[C@@H]1CCC[NH2+]CC1 ZINC000584892216 488000352 /nfs/dbraw/zinc/00/03/52/488000352.db2.gz OUKIKDWFUMJJIY-LLVKDONJSA-N 1 0 236.315 1.328 50 0 BDAARO CC[C@H]1CN(c2ncc(Cl)cn2)CC[N@@H+]1C ZINC000670452776 487506373 /nfs/dbraw/zinc/50/63/73/487506373.db2.gz LSZVQXGFXMPPCR-JTQLQIEISA-N 1 0 240.738 1.660 50 0 BDAARO CC1(C)C[N@@H+](C2CSCCSC2)CCO1 ZINC000670451547 487502711 /nfs/dbraw/zinc/50/27/11/487502711.db2.gz QPMWZNGCBWPFPY-UHFFFAOYSA-N 1 0 247.429 1.946 50 0 BDAARO CC[C@@H]1CN(c2ncc(Cl)cn2)CC[N@@H+]1C ZINC000670452778 487506793 /nfs/dbraw/zinc/50/67/93/487506793.db2.gz LSZVQXGFXMPPCR-SNVBAGLBSA-N 1 0 240.738 1.660 50 0 BDAARO Cn1ccnc1CC[N@H+](C)CCC(C)(C)O ZINC000670461581 487514217 /nfs/dbraw/zinc/51/42/17/487514217.db2.gz MNFONCYXTCBECW-UHFFFAOYSA-N 1 0 225.336 1.055 50 0 BDAARO Cc1ncccc1C[N@@H+](C)CC1(CO)CCC1 ZINC000670467760 487522276 /nfs/dbraw/zinc/52/22/76/487522276.db2.gz ZZFZFBOEMRUOHG-UHFFFAOYSA-N 1 0 234.343 1.984 50 0 BDAARO Cc1cc(C[NH+]2CCC(c3nnc[nH]3)CC2)on1 ZINC000670469759 487524795 /nfs/dbraw/zinc/52/47/95/487524795.db2.gz WRPPQZNEMVAYFJ-UHFFFAOYSA-N 1 0 247.302 1.481 50 0 BDAARO CN(c1ncnc2c1CCC2)C1CC[NH+](C)CC1 ZINC000065288091 490059363 /nfs/dbraw/zinc/05/93/63/490059363.db2.gz RNJDGZBDDRAJPZ-UHFFFAOYSA-N 1 0 246.358 1.496 50 0 BDAARO Cc1ccc(OCC[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000047915834 490167400 /nfs/dbraw/zinc/16/74/00/490167400.db2.gz WNDCTCWRSLRIIQ-ZDUSSCGKSA-N 1 0 235.327 1.831 50 0 BDAARO Cc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000077010705 490327046 /nfs/dbraw/zinc/32/70/46/490327046.db2.gz PNANHUZZLXSNNV-UHFFFAOYSA-N 1 0 226.283 1.493 50 0 BDAARO COC[C@@H](C)[NH2+]CCCOC[C@H]1CCCO1 ZINC000053172630 490404920 /nfs/dbraw/zinc/40/49/20/490404920.db2.gz WUPGOMGSIRFYKF-VXGBXAGGSA-N 1 0 231.336 1.197 50 0 BDAARO C[C@@H](C(=O)Nc1ccc(F)cc1)[NH+](C)C ZINC000075105320 490514476 /nfs/dbraw/zinc/51/44/76/490514476.db2.gz VRMNTHFXQQWGDQ-QMMMGPOBSA-N 1 0 210.252 1.714 50 0 BDAARO C[C@H]1[NH2+]CCC[C@H]1NC(=O)CC(C)(C)C ZINC000085727131 491052467 /nfs/dbraw/zinc/05/24/67/491052467.db2.gz LIDYBIPQIIGPIG-NXEZZACHSA-N 1 0 212.337 1.679 50 0 BDAARO CC(C)c1cccc2c1OCC[C@H]([NH3+])[C@@H]2O ZINC000062610695 517491718 /nfs/dbraw/zinc/49/17/18/517491718.db2.gz HWSLSDIQOFADNF-NWDGAFQWSA-N 1 0 221.300 1.953 50 0 BDAARO CC(=O)Nc1cccc2c1[n+](=O)c(C)c(C)n2O ZINC000334157353 519750015 /nfs/dbraw/zinc/75/00/15/519750015.db2.gz KREFWJLBUCPQNF-UHFFFAOYSA-O 1 0 248.262 1.368 50 0 BDAARO CC(C)COCCNC(=O)CC1CC[NH2+]CC1 ZINC000156882668 519755055 /nfs/dbraw/zinc/75/50/55/519755055.db2.gz ZQAMMJSFBOFUIN-UHFFFAOYSA-N 1 0 242.363 1.165 50 0 BDAARO CC(C)OC[C@@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000253417243 519771769 /nfs/dbraw/zinc/77/17/69/519771769.db2.gz SBKSKEFBFOQANW-ZDUSSCGKSA-N 1 0 227.348 1.504 50 0 BDAARO CCOCCN1CC[N@H+](CCCOC)C[C@H]1C ZINC000241383330 519920551 /nfs/dbraw/zinc/92/05/51/519920551.db2.gz MUHKUARUBBXCCQ-CYBMUJFWSA-N 1 0 244.379 1.066 50 0 BDAARO CC[N@H+](CC(=O)NC[C@@H]1CC=CCC1)C1CC1 ZINC000095432835 520336508 /nfs/dbraw/zinc/33/65/08/520336508.db2.gz KBHWKVARYKLAER-GFCCVEGCSA-N 1 0 236.359 1.943 50 0 BDAARO C[NH2+][C@@H](C)CNc1ncc(Cl)cn1 ZINC000261529128 536345219 /nfs/dbraw/zinc/34/52/19/536345219.db2.gz PHHSRKCLGOEROD-LURJTMIESA-N 1 0 200.673 1.150 50 0 BDAARO C[C@H]1CN(C(=O)C2=COCCC2)C[C@H]1[NH+](C)C ZINC000078895860 582827746 /nfs/dbraw/zinc/82/77/46/582827746.db2.gz ODVNGWGJCRIVFP-CMPLNLGQSA-N 1 0 238.331 1.089 50 0 BDAARO CCOCCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252477710 521672761 /nfs/dbraw/zinc/67/27/61/521672761.db2.gz UKDYTTRSSAXBRW-VXGBXAGGSA-N 1 0 242.363 1.212 50 0 BDAARO 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973919462 /nfs/dbraw/zinc/91/94/62/973919462.db2.gz NSEGRUOYDPHJLS-FOSCPWQOSA-N 1 0 233.315 1.789 50 0 BDAARO Cc1nnc(OC[C@H]2CCCC[N@H+]2C)s1 ZINC000585651905 973921463 /nfs/dbraw/zinc/92/14/63/973921463.db2.gz ITCIPMYKHZAMDK-SECBINFHSA-N 1 0 227.333 1.710 50 0 BDAARO Cc1cccc(O[C@@H]2C[NH+]3CCC2CC3)n1 ZINC000585654468 973929063 /nfs/dbraw/zinc/92/90/63/973929063.db2.gz IHCBKILXVRNKCM-GFCCVEGCSA-N 1 0 218.300 1.863 50 0 BDAARO C=CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000952888353 974067104 /nfs/dbraw/zinc/06/71/04/974067104.db2.gz VXAIHIPQUQLGFM-MNOVXSKESA-N 1 0 210.321 1.504 50 0 BDAARO CCNC(=O)[C@H]1CCN(c2cc(C)[nH+]c(C)c2)C1 ZINC001506402153 988774697 /nfs/dbraw/zinc/77/46/97/988774697.db2.gz MOKZRDYQANRAOC-LBPRGKRZSA-N 1 0 247.342 1.661 50 0 BDAARO C[C@@H](CCN(C)C(=O)c1cc[nH]c1)[NH+]1CCCC1 ZINC001506413701 988777210 /nfs/dbraw/zinc/77/72/10/988777210.db2.gz UAHODQLQSXAZFQ-LBPRGKRZSA-N 1 0 249.358 1.961 50 0 BDAARO C[NH+](C)CC[C@H]1CCCCN1Cc1cncnc1 ZINC001506415231 988778481 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/nfs/dbraw/zinc/72/17/49/342721749.db2.gz PMIWSPDQRMEORO-UHFFFAOYSA-N 1 0 225.313 1.212 50 0 BDAARO O=C(c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000005001285 342756178 /nfs/dbraw/zinc/75/61/78/342756178.db2.gz ADUNZIXVJYFOSR-UHFFFAOYSA-N 1 0 226.226 1.010 50 0 BDAARO CO[C@@H]1CCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000584896328 342776355 /nfs/dbraw/zinc/77/63/55/342776355.db2.gz DRXUHXSXDKLMLD-GFCCVEGCSA-N 1 0 240.347 1.110 50 0 BDAARO Cn1cccc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000630030731 361907355 /nfs/dbraw/zinc/90/73/55/361907355.db2.gz VMRHIBOJRGSICO-TXEJJXNPSA-N 1 0 247.342 1.382 50 0 BDAARO COC(=O)c1occc1CSC(N)=[NH2+] ZINC000009256661 342811603 /nfs/dbraw/zinc/81/16/03/342811603.db2.gz LZMKIKOWXFMCED-UHFFFAOYSA-N 1 0 214.246 1.193 50 0 BDAARO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1C ZINC000011754420 342842912 /nfs/dbraw/zinc/84/29/12/342842912.db2.gz KQMLATCVWGNAHS-LBPRGKRZSA-N 1 0 218.300 1.994 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@H]2[NH2+]C[C@@H]2C1 ZINC000012506749 342852886 /nfs/dbraw/zinc/85/28/86/342852886.db2.gz TUIAJQPTVCSWOB-RKDXNWHRSA-N 1 0 212.293 1.215 50 0 BDAARO CN(C)c1cc(NC[C@H]2CCCO2)ncn1 ZINC000032592969 342854179 /nfs/dbraw/zinc/85/41/79/342854179.db2.gz LPHVDLVKTKGCTO-SECBINFHSA-N 1 0 222.292 1.134 50 0 BDAARO O=C(C[NH2+]CCc1ccccc1)NC1CC1 ZINC000004454848 342871359 /nfs/dbraw/zinc/87/13/59/342871359.db2.gz IPSMNYXSANWNFK-UHFFFAOYSA-N 1 0 218.300 1.097 50 0 BDAARO C[N@H+](CC1CCCCC1)[C@@H]1CCOC1=O ZINC000032753097 342872402 /nfs/dbraw/zinc/87/24/02/342872402.db2.gz XBCDSTFJOPLQQS-LLVKDONJSA-N 1 0 211.305 1.814 50 0 BDAARO Cc1ccc(C)c(OCC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000237648328 398336838 /nfs/dbraw/zinc/33/68/38/398336838.db2.gz BAFVYJNMCAPJOW-GFCCVEGCSA-N 1 0 248.326 1.242 50 0 BDAARO [NH3+][C@@H](Cc1c[nH]cn1)c1nc2ccccc2[nH]1 ZINC000019272150 342944994 /nfs/dbraw/zinc/94/49/94/342944994.db2.gz NCYRLNWTVLLSHF-VIFPVBQESA-N 1 0 227.271 1.529 50 0 BDAARO COc1ccc(Br)c(C[NH3+])c1 ZINC000019426586 342948650 /nfs/dbraw/zinc/94/86/50/342948650.db2.gz PWFPLVSPVFJSSZ-UHFFFAOYSA-N 1 0 216.078 1.916 50 0 BDAARO CCN(Cc1ccccc1)C(=O)C(C)(C)[NH3+] ZINC000019672396 342953267 /nfs/dbraw/zinc/95/32/67/342953267.db2.gz CNZKCJGVEIDAGK-UHFFFAOYSA-N 1 0 220.316 1.772 50 0 BDAARO O=C(c1cccc(Cl)c1)N1CCC[NH2+]CC1 ZINC000019679980 342953623 /nfs/dbraw/zinc/95/36/23/342953623.db2.gz GEOVIVQFRVLEID-UHFFFAOYSA-N 1 0 238.718 1.776 50 0 BDAARO O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCCC[N@H+]13 ZINC000019701765 342953969 /nfs/dbraw/zinc/95/39/69/342953969.db2.gz SWZMSZQQJRKFBP-WZRBSPASSA-N 1 0 217.268 1.405 50 0 biogenic,world BDAARO c1coc(-c2nnc(C3CC[NH2+]CC3)o2)c1 ZINC000019780347 342957032 /nfs/dbraw/zinc/95/70/32/342957032.db2.gz NDLJCHGJHUGGAS-UHFFFAOYSA-N 1 0 219.244 1.797 50 0 BDAARO Cn1cccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000019871992 342960504 /nfs/dbraw/zinc/96/05/04/342960504.db2.gz ZNWCAPGISRJAOA-AWEZNQCLSA-N 1 0 230.311 1.848 50 0 BDAARO CC[NH+]1CCC(NCc2cccnc2)CC1 ZINC000020140614 342971580 /nfs/dbraw/zinc/97/15/80/342971580.db2.gz MEMKYSORPVEPEL-UHFFFAOYSA-N 1 0 219.332 1.656 50 0 BDAARO CC(=O)Nc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000020521627 342989479 /nfs/dbraw/zinc/98/94/79/342989479.db2.gz AXRLGJOCQBMUAP-UHFFFAOYSA-N 1 0 247.342 1.568 50 0 BDAARO O=C(c1ccsc1)N1CCC[NH2+]CC1 ZINC000022149702 343042679 /nfs/dbraw/zinc/04/26/79/343042679.db2.gz BGMZMGXAACFFEH-UHFFFAOYSA-N 1 0 210.302 1.184 50 0 BDAARO CN(C)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000022173285 343042943 /nfs/dbraw/zinc/04/29/43/343042943.db2.gz LVMBNFUVGSAFBU-VIFPVBQESA-N 1 0 200.232 1.526 50 0 BDAARO C[C@@H]1CCC[N@H+](Cc2cccnc2)[C@H]1CO ZINC000335909538 136262104 /nfs/dbraw/zinc/26/21/04/136262104.db2.gz XRYVWTACDBRXSH-YPMHNXCESA-N 1 0 220.316 1.674 50 0 BDAARO C[C@@H](O)C[NH+](Cc1ccccc1)C[C@@H](C)O ZINC000012383475 343051795 /nfs/dbraw/zinc/05/17/95/343051795.db2.gz NPMGKAJEKWZCIO-VXGBXAGGSA-N 1 0 223.316 1.250 50 0 BDAARO [NH3+]CC1N=NC(=S)N1c1ccc(F)cc1 ZINC000023230335 343062012 /nfs/dbraw/zinc/06/20/12/343062012.db2.gz YNVYFYBHEVKDIN-UHFFFAOYSA-N 1 0 224.264 1.154 50 0 BDAARO CC(=O)N1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000023281602 343063062 /nfs/dbraw/zinc/06/30/62/343063062.db2.gz WSEPXPOQRZDWKN-ZDUSSCGKSA-N 1 0 246.354 1.954 50 0 BDAARO COC(=O)C[C@H]1c2ccccc2CC[N@H+]1C ZINC000023623081 343066586 /nfs/dbraw/zinc/06/65/86/343066586.db2.gz WGGDSYREZHBGJJ-LBPRGKRZSA-N 1 0 219.284 1.779 50 0 BDAARO Clc1ccc(OCC[NH+]2CCCC2)nn1 ZINC000026664371 343107959 /nfs/dbraw/zinc/10/79/59/343107959.db2.gz RBSZNPMULLOCJL-UHFFFAOYSA-N 1 0 227.695 1.605 50 0 BDAARO Cc1ncccc1C[NH2+]CCn1cccn1 ZINC000072270971 343117536 /nfs/dbraw/zinc/11/75/36/343117536.db2.gz VTDROXRPNSXBKO-UHFFFAOYSA-N 1 0 216.288 1.376 50 0 BDAARO Cc1nnc2n1CCN(CCc1ccccn1)C2 ZINC000072267500 343114386 /nfs/dbraw/zinc/11/43/86/343114386.db2.gz GZARONFPEUCRTJ-UHFFFAOYSA-N 1 0 243.314 1.040 50 0 BDAARO C[C@H](C(N)=O)[N@H+](C)CCCOc1ccccc1 ZINC000029852865 343147146 /nfs/dbraw/zinc/14/71/46/343147146.db2.gz HYQBCBAMNZXWPN-LLVKDONJSA-N 1 0 236.315 1.261 50 0 BDAARO CC(C)c1n[nH]c(CC2CC[NH2+]CC2)n1 ZINC000086573461 136281027 /nfs/dbraw/zinc/28/10/27/136281027.db2.gz RFILZIDFIVSHQW-UHFFFAOYSA-N 1 0 208.309 1.470 50 0 BDAARO C[NH+](C)Cc1ccc(-c2cnc(N)cn2)cc1 ZINC000032553304 343237663 /nfs/dbraw/zinc/23/76/63/343237663.db2.gz YURVDGNCBXNAAA-UHFFFAOYSA-N 1 0 228.299 1.787 50 0 BDAARO CCCN1CCC([N@@H+]2CCC[C@@H]2CO)CC1 ZINC000000757215 343269928 /nfs/dbraw/zinc/26/99/28/343269928.db2.gz QALZMFJJONMUEY-CYBMUJFWSA-N 1 0 226.364 1.318 50 0 BDAARO c1ccc(CC23CC4CN(C2)CC[N@H+](C4)C3)cc1 ZINC000022045110 343271995 /nfs/dbraw/zinc/27/19/95/343271995.db2.gz UDWFEVXPIGPEAI-UHFFFAOYSA-N 1 0 242.366 1.867 50 0 BDAARO O=C1C[C@H]([NH+]2CCCC2)C(=O)N1c1ccccc1 ZINC000004866368 343273602 /nfs/dbraw/zinc/27/36/02/343273602.db2.gz CLPRMDNZBYQVNF-LBPRGKRZSA-N 1 0 244.294 1.414 50 0 BDAARO O=c1[nH]ccc(C[NH+]2CCCCC2)c1O ZINC000034590510 343275352 /nfs/dbraw/zinc/27/53/52/343275352.db2.gz BFECZMZYJKKZTA-UHFFFAOYSA-N 1 0 208.261 1.066 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000036872894 343325747 /nfs/dbraw/zinc/32/57/47/343325747.db2.gz GRXIWBAKFQTJIP-DCAQKATOSA-N 1 0 212.337 1.809 50 0 BDAARO CCCCCC(=O)NC1CCC([NH3+])CC1 ZINC000036880325 343326327 /nfs/dbraw/zinc/32/63/27/343326327.db2.gz YDPGMFJWUWNLCM-UHFFFAOYSA-N 1 0 212.337 1.953 50 0 BDAARO C[C@H](CO)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000035602160 343299151 /nfs/dbraw/zinc/29/91/51/343299151.db2.gz WIZHUUSXTOOWCZ-UKRRQHHQSA-N 1 0 248.370 1.621 50 0 BDAARO Cc1ccc(CN(C)C(=O)[C@H]([NH3+])CC(C)C)o1 ZINC000035660302 343301419 /nfs/dbraw/zinc/30/14/19/343301419.db2.gz NWURQMDKIPXEOV-GFCCVEGCSA-N 1 0 238.331 1.920 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000036378472 343316936 /nfs/dbraw/zinc/31/69/36/343316936.db2.gz PAXDIBGWURAVIH-JGVFFNPUSA-N 1 0 200.282 1.391 50 0 BDAARO C[NH2+]Cc1ccc(I)o1 ZINC000037184179 343338203 /nfs/dbraw/zinc/33/82/03/343338203.db2.gz RVALGHZQMMJCPA-UHFFFAOYSA-N 1 0 237.040 1.604 50 0 BDAARO Cn1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)c1 ZINC000335639401 136303421 /nfs/dbraw/zinc/30/34/21/136303421.db2.gz LOQOVJFONICAQM-LBPRGKRZSA-N 1 0 226.295 1.586 50 0 BDAARO C[C@H](C[NH3+])NC(=O)OCc1ccccc1 ZINC000039952283 343393642 /nfs/dbraw/zinc/39/36/42/343393642.db2.gz GGFHGJCSVCTZJU-SECBINFHSA-N 1 0 208.261 1.260 50 0 BDAARO CC(C)(C)OC(=O)Nc1cc(C[NH3+])ccn1 ZINC000040448648 343403987 /nfs/dbraw/zinc/40/39/87/343403987.db2.gz MTLPTFRZCYSDNT-UHFFFAOYSA-N 1 0 223.276 1.887 50 0 in-vitro BDAARO CC(C)(C)OC(=O)N1CCC[C@@H](C(N)=[NH2+])C1 ZINC000042463282 343439663 /nfs/dbraw/zinc/43/96/63/343439663.db2.gz VMBVTZTVUJHADD-MRVPVSSYSA-N 1 0 227.308 1.569 50 0 BDAARO O=C(O[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000042769409 343451092 /nfs/dbraw/zinc/45/10/92/343451092.db2.gz XLBBQFVOBCYVAO-NSHDSACASA-N 1 0 205.257 1.595 50 0 BDAARO O=C(OC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000042769424 343451310 /nfs/dbraw/zinc/45/13/10/343451310.db2.gz VZGXINACTBQWDZ-NSHDSACASA-N 1 0 219.284 1.843 50 0 BDAARO COC(=O)c1ccccc1OC[C@H]1CC[NH2+]C1 ZINC000042771325 343451996 /nfs/dbraw/zinc/45/19/96/343451996.db2.gz QUEZLQYWTZQROW-JTQLQIEISA-N 1 0 235.283 1.462 50 0 BDAARO COC(=O)CCSC[C@@H]1CCC[NH2+]C1 ZINC000043471757 343474671 /nfs/dbraw/zinc/47/46/71/343474671.db2.gz JGEHQCSVJDCDGA-SECBINFHSA-N 1 0 217.334 1.282 50 0 BDAARO Cn1c(C2CC[NH2+]CC2)nc2cccnc21 ZINC000045796262 343534340 /nfs/dbraw/zinc/53/43/40/343534340.db2.gz LMHNUMHJYFEULQ-UHFFFAOYSA-N 1 0 216.288 1.435 50 0 BDAARO CCc1nc(CN2CCC(C[NH3+])CC2)cs1 ZINC000044513485 343505131 /nfs/dbraw/zinc/50/51/31/343505131.db2.gz BDZIMXUZMGTGOM-UHFFFAOYSA-N 1 0 239.388 1.876 50 0 BDAARO COCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000584905920 343605356 /nfs/dbraw/zinc/60/53/56/343605356.db2.gz XSABJTJKXWEJGZ-STQMWFEESA-N 1 0 226.364 1.487 50 0 BDAARO CC(=O)NCCC[N@@H+](C)Cc1ccncc1 ZINC000096424692 343737282 /nfs/dbraw/zinc/73/72/82/343737282.db2.gz OVUTZAMQENSTJG-UHFFFAOYSA-N 1 0 221.304 1.040 50 0 BDAARO C[NH2+]Cc1nnc2n1CCC[C@@H]2C(F)(F)F ZINC000409429238 343805048 /nfs/dbraw/zinc/80/50/48/343805048.db2.gz QHAAJNQRBSLPEV-LURJTMIESA-N 1 0 234.225 1.437 50 0 BDAARO CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H]1C ZINC000246577853 192368135 /nfs/dbraw/zinc/36/81/35/192368135.db2.gz VIYLABHZSHGBOL-OUAUKWLOSA-N 1 0 212.337 1.474 50 0 BDAARO Cc1cnccc1CC[NH2+][C@@H](C)Cn1cncn1 ZINC000585141990 344174317 /nfs/dbraw/zinc/17/43/17/344174317.db2.gz KRTOMNOCZGMCBB-LBPRGKRZSA-N 1 0 245.330 1.202 50 0 BDAARO CCOC(CN(C)Cc1c[nH]nc1C)OCC ZINC000585136721 344148825 /nfs/dbraw/zinc/14/88/25/344148825.db2.gz QLZDTUDRZVOVSX-UHFFFAOYSA-N 1 0 241.335 1.549 50 0 BDAARO O=C1CS[C@@H]2N1CCC[NH2+]C21CCCCC1 ZINC000000102284 344483862 /nfs/dbraw/zinc/48/38/62/344483862.db2.gz ABQNNGKKDURJLS-NSHDSACASA-N 1 0 240.372 1.584 50 0 biogenic BDAARO Cc1n[nH]cc1C[NH2+]CC[C@@H]1CCCO1 ZINC000038096169 344781830 /nfs/dbraw/zinc/78/18/30/344781830.db2.gz XIVFRUFGNMLHEQ-NSHDSACASA-N 1 0 209.293 1.377 50 0 BDAARO CS[C@H](C)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000670473471 487535613 /nfs/dbraw/zinc/53/56/13/487535613.db2.gz CFUFOAIYDAELKY-SNVBAGLBSA-N 1 0 244.404 1.729 50 0 BDAARO CCCCS(=O)(=O)CCCCC[NH3+] ZINC000082790639 345759801 /nfs/dbraw/zinc/75/98/01/345759801.db2.gz XBKXFXBWHABRML-UHFFFAOYSA-N 1 0 207.339 1.330 50 0 BDAARO O=C1CC/[N+](=C\c2cccc(C(F)(F)F)c2)N1 ZINC000005248903 345951903 /nfs/dbraw/zinc/95/19/03/345951903.db2.gz HTDZIXKNRMUYNU-FRKPEAEDSA-O 1 0 243.208 1.572 50 0 BDAARO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCCS1 ZINC000685943711 537932686 /nfs/dbraw/zinc/93/26/86/537932686.db2.gz MOKGOYMIFPQKPC-QWRGUYRKSA-N 1 0 240.372 1.092 50 0 BDAARO Cc1cccc(-n2cc(C[NH2+]CCO)cn2)c1 ZINC000002025615 179000067 /nfs/dbraw/zinc/00/00/67/179000067.db2.gz WZRMQFZPJXALKM-UHFFFAOYSA-N 1 0 231.299 1.263 50 0 BDAARO Cc1cccc(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000004698870 179018510 /nfs/dbraw/zinc/01/85/10/179018510.db2.gz ALDZUVUHWMYTKA-LBPRGKRZSA-N 1 0 234.343 1.923 50 0 BDAARO Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000019537489 179076633 /nfs/dbraw/zinc/07/66/33/179076633.db2.gz GPUNOVJFCWZTGV-UHFFFAOYSA-N 1 0 204.317 1.742 50 0 BDAARO Cc1cccc(NC(=O)N2CC[NH2+]CC2)c1 ZINC000021951655 179131943 /nfs/dbraw/zinc/13/19/43/179131943.db2.gz OAKPDRKCDSFKIL-UHFFFAOYSA-N 1 0 219.288 1.432 50 0 BDAARO CC(C)CN(Cc1ccncc1)C1C[NH2+]C1 ZINC000169676323 346768136 /nfs/dbraw/zinc/76/81/36/346768136.db2.gz KALVKXRACOHRHA-UHFFFAOYSA-N 1 0 219.332 1.511 50 0 BDAARO Cc1cccc(OCC(=O)N2CCC([NH3+])CC2)c1 ZINC000033435122 179163215 /nfs/dbraw/zinc/16/32/15/179163215.db2.gz MZNWZTIHLMVATA-UHFFFAOYSA-N 1 0 248.326 1.324 50 0 BDAARO Cc1cccc([C@@H](C)NC[C@H](O)C[NH+](C)C)c1 ZINC000096477260 179182666 /nfs/dbraw/zinc/18/26/66/179182666.db2.gz GSYIJRXEHAVPNJ-OCCSQVGLSA-N 1 0 236.359 1.568 50 0 BDAARO Cc1cccc([C@H]2CCCN2C(=O)C[NH3+])c1C ZINC000083932534 179203210 /nfs/dbraw/zinc/20/32/10/179203210.db2.gz KIUKGRUGYWXFOF-CYBMUJFWSA-N 1 0 232.327 1.926 50 0 BDAARO Cc1ccccc1C(=O)NC1CC[NH2+]CC1 ZINC000004910430 179249040 /nfs/dbraw/zinc/24/90/40/179249040.db2.gz YHYHXMIKSDHGEB-UHFFFAOYSA-N 1 0 218.300 1.477 50 0 BDAARO Cc1ccccc1CCC(=O)N1CC[NH2+]C[C@H]1C ZINC000054369384 179260009 /nfs/dbraw/zinc/26/00/09/179260009.db2.gz TVFCQXFIADEGAO-CYBMUJFWSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1ccccc1CCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000051986146 179260311 /nfs/dbraw/zinc/26/03/11/179260311.db2.gz XBFAGKUIHQNSHL-AWEZNQCLSA-N 1 0 246.354 1.877 50 0 BDAARO Cc1ccccc1CCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000051986177 179260553 /nfs/dbraw/zinc/26/05/53/179260553.db2.gz SQZIRGAZNJARNY-CYBMUJFWSA-N 1 0 246.354 1.735 50 0 BDAARO Cc1ccccc1CC(=O)N1CC[NH2+]C[C@@H]1C ZINC000054369872 179257084 /nfs/dbraw/zinc/25/70/84/179257084.db2.gz HNYNJLZYNJRYQD-LBPRGKRZSA-N 1 0 232.327 1.358 50 0 BDAARO Cc1ccccc1CC(=O)N1CCCC[C@H]1C[NH3+] ZINC000044541703 179257404 /nfs/dbraw/zinc/25/74/04/179257404.db2.gz PHBWCLWLRRZXRJ-AWEZNQCLSA-N 1 0 246.354 1.877 50 0 BDAARO CC1(C)[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)[C@H]2CCO[C@@H]21 ZINC000195558583 347646110 /nfs/dbraw/zinc/64/61/10/347646110.db2.gz HZEKLJINIFYEKT-CLPYTZEMSA-N 1 0 237.343 1.327 50 0 BDAARO CCC1CC[NH+](CCOC(=O)N(C)C)CC1 ZINC000195566856 347647414 /nfs/dbraw/zinc/64/74/14/347647414.db2.gz SVIJOLNBJCUSTM-UHFFFAOYSA-N 1 0 228.336 1.807 50 0 BDAARO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCO[C@@H](CO)C1 ZINC000195575859 347648341 /nfs/dbraw/zinc/64/83/41/347648341.db2.gz NHPUVPLQMKVLTF-BFHYXJOUSA-N 1 0 239.359 1.672 50 0 BDAARO Cc1cc(OCCOC(=O)N(C)C)cc(C)[nH+]1 ZINC000195578311 347648711 /nfs/dbraw/zinc/64/87/11/347648711.db2.gz MQZXOICPXXDDLG-UHFFFAOYSA-N 1 0 238.287 1.775 50 0 BDAARO Cc1ccccc1CN1CC[NH2+]C[C@@H]1CCO ZINC000066275276 179273897 /nfs/dbraw/zinc/27/38/97/179273897.db2.gz KWLLBRCNHUROAW-AWEZNQCLSA-N 1 0 234.343 1.151 50 0 BDAARO Cc1ccccc1C[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000090849991 179290999 /nfs/dbraw/zinc/29/09/99/179290999.db2.gz MCMYYQAAAIHSOE-ZFWWWQNUSA-N 1 0 249.354 1.667 50 0 BDAARO Cc1ccccc1OCCCN(C)C(=O)C[NH3+] ZINC000237112534 179309732 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50 0 BDAARO NC(=[NH2+])[C@H]1CN(Cc2ccccc2)C(=O)NC1=O ZINC000072115186 181192840 /nfs/dbraw/zinc/19/28/40/181192840.db2.gz IUDFLJQKOKLSCD-SECBINFHSA-N 1 0 246.270 1.131 50 0 BDAARO CC[C@@H]1CCCC[N@@H+]1CCOCCO ZINC000040229380 355797069 /nfs/dbraw/zinc/79/70/69/355797069.db2.gz YRZWJELHSBDHFS-LLVKDONJSA-N 1 0 201.310 1.260 50 0 BDAARO COC(=O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000035174359 355864378 /nfs/dbraw/zinc/86/43/78/355864378.db2.gz UWQDGTPKIBAHGW-GHMZBOCLSA-N 1 0 211.305 1.672 50 0 BDAARO NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107704 181233471 /nfs/dbraw/zinc/23/34/71/181233471.db2.gz WJNMEYBFTFSXPO-STQMWFEESA-N 1 0 248.326 1.060 50 0 BDAARO NC(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000096441563 181233651 /nfs/dbraw/zinc/23/36/51/181233651.db2.gz DXDPHXUORYFDCX-CYBMUJFWSA-N 1 0 248.326 1.010 50 0 BDAARO NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000039947513 181259239 /nfs/dbraw/zinc/25/92/39/181259239.db2.gz YSRDPYAWPHYLON-CYBMUJFWSA-N 1 0 247.342 1.709 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000134982150 181268309 /nfs/dbraw/zinc/26/83/09/181268309.db2.gz GIYMRBKWIYQNAF-MNOVXSKESA-N 1 0 238.356 1.882 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000134982130 181268285 /nfs/dbraw/zinc/26/82/85/181268285.db2.gz GIYMRBKWIYQNAF-GHMZBOCLSA-N 1 0 238.356 1.882 50 0 BDAARO NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000005934230 181265973 /nfs/dbraw/zinc/26/59/73/181265973.db2.gz LJLMNWPXAYKPGV-NEPJUHHUSA-N 1 0 218.300 1.398 50 0 in-vitro BDAARO NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000004021753 181268969 /nfs/dbraw/zinc/26/89/69/181268969.db2.gz CJILWIFEBKFTJW-NWDGAFQWSA-N 1 0 222.332 1.540 50 0 BDAARO NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000054582654 181278908 /nfs/dbraw/zinc/27/89/08/181278908.db2.gz KOOCKGZDBDXXAK-NSHDSACASA-N 1 0 204.273 1.309 50 0 BDAARO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccn1 ZINC000035272195 356466780 /nfs/dbraw/zinc/46/67/80/356466780.db2.gz FWWRQWMQGDNGSN-NSHDSACASA-N 1 0 216.288 1.456 50 0 BDAARO C[C@@H]1C[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CN1C ZINC000089920297 538586126 /nfs/dbraw/zinc/58/61/26/538586126.db2.gz SBOGPHNXAYIKSA-SJHCENCUSA-N 1 0 238.375 1.482 50 0 BDAARO OC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCOC1 ZINC000095442095 538607085 /nfs/dbraw/zinc/60/70/85/538607085.db2.gz JXIGOEAJPYWIOG-OCCSQVGLSA-N 1 0 233.311 1.367 50 0 BDAARO NC(=O)c1cc([C@@H]2CCC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072361341 181292043 /nfs/dbraw/zinc/29/20/43/181292043.db2.gz NSAVAZHTCLDBNC-SNVBAGLBSA-N 1 0 248.330 1.098 50 0 BDAARO CC(C)c1nnc([C@@H]2C[NH2+]C[C@H]2C2CC2)[nH]1 ZINC000685944003 538886858 /nfs/dbraw/zinc/88/68/58/538886858.db2.gz USTKNOJGZHAIRM-VHSXEESVSA-N 1 0 220.320 1.641 50 0 BDAARO CC(C)CNC(=[NH2+])NCC1CCOCC1 ZINC000084672696 358115226 /nfs/dbraw/zinc/11/52/26/358115226.db2.gz HFXXKSIOGWJWCH-UHFFFAOYSA-N 1 0 213.325 1.183 50 0 BDAARO COC(=O)CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000001805983 358759128 /nfs/dbraw/zinc/75/91/28/358759128.db2.gz QAYIYGOIKODQTM-NSHDSACASA-N 1 0 221.300 1.770 50 0 BDAARO CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000095996646 360341266 /nfs/dbraw/zinc/34/12/66/360341266.db2.gz NLCZEVAHIVQFJY-JTQLQIEISA-N 1 0 227.352 1.378 50 0 BDAARO Cc1cnc(C2CCC2)n1[C@H]1CC[NH2+]C1 ZINC000169793054 361130832 /nfs/dbraw/zinc/13/08/32/361130832.db2.gz YIGBHTHJXVPROD-NSHDSACASA-N 1 0 205.305 1.993 50 0 BDAARO [NH3+][C@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000041028303 361158241 /nfs/dbraw/zinc/15/82/41/361158241.db2.gz YLDYVVFTSFBOGJ-NSHDSACASA-N 1 0 236.290 1.318 50 0 BDAARO CCC[C@H]([NH3+])C(=O)NCc1cccs1 ZINC000036873150 361573603 /nfs/dbraw/zinc/57/36/03/361573603.db2.gz MKDMVYVSATUOKA-VIFPVBQESA-N 1 0 212.318 1.492 50 0 BDAARO [NH3+]CC(=O)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000077504460 181347258 /nfs/dbraw/zinc/34/72/58/181347258.db2.gz GIBAWXRNPJLDQG-GFCCVEGCSA-N 1 0 236.290 1.838 50 0 BDAARO CC(C)(C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000007636321 364009253 /nfs/dbraw/zinc/00/92/53/364009253.db2.gz CYBFOGMTGJFDGA-SECBINFHSA-N 1 0 203.326 1.551 50 0 BDAARO [NH3+]CC(=O)Nc1ccccc1SC(F)F ZINC000019478465 181356680 /nfs/dbraw/zinc/35/66/80/181356680.db2.gz ARMQGFUXCCJQQD-UHFFFAOYSA-N 1 0 232.255 1.899 50 0 BDAARO [NH3+]CC1(c2ccc(C(F)(F)F)cc2)COC1 ZINC000247703661 181361731 /nfs/dbraw/zinc/36/17/31/181361731.db2.gz BQCOVJVVXBTCQJ-UHFFFAOYSA-N 1 0 231.217 1.932 50 0 BDAARO [NH3+]CCCn1cc(Cl)c(C(F)(F)F)n1 ZINC000002537843 181389655 /nfs/dbraw/zinc/38/96/55/181389655.db2.gz MXAQSASQEZDCGX-UHFFFAOYSA-N 1 0 227.617 1.904 50 0 BDAARO [NH3+]CCOCCOCCOCc1ccccc1 ZINC000095495737 181399245 /nfs/dbraw/zinc/39/92/45/181399245.db2.gz ZQZPJPHAPLBNCN-UHFFFAOYSA-N 1 0 239.315 1.195 50 0 BDAARO [NH3+]CCc1nc(-c2ccncc2)cs1 ZINC000019476607 181413818 /nfs/dbraw/zinc/41/38/18/181413818.db2.gz ASGSTPZRHAOXCU-UHFFFAOYSA-N 1 0 205.286 1.706 50 0 BDAARO [NH3+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000000859257 181421396 /nfs/dbraw/zinc/42/13/96/181421396.db2.gz NLDZKMXGSNKPTM-GFCCVEGCSA-N 1 0 217.268 1.538 50 0 BDAARO CC(C)(C)SCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000153827218 368159575 /nfs/dbraw/zinc/15/95/75/368159575.db2.gz LQICHVBBNUKMQG-JTQLQIEISA-N 1 0 244.404 1.634 50 0 BDAARO O=c1[nH]c2ccccc2n1CC[NH+]1CCCCC1 ZINC000034214962 368374494 /nfs/dbraw/zinc/37/44/94/368374494.db2.gz WVQZPEQUXLYQMH-UHFFFAOYSA-N 1 0 245.326 1.816 50 0 BDAARO CC(C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000046228879 368439907 /nfs/dbraw/zinc/43/99/07/368439907.db2.gz AZBOCSLJWYSCSG-UHFFFAOYSA-N 1 0 219.332 1.860 50 0 BDAARO Cc1cc(C(=O)NC(C)(C)C[NH+](C)C)ns1 ZINC000457205984 203018492 /nfs/dbraw/zinc/01/84/92/203018492.db2.gz AJJPZVJMOHOGMW-UHFFFAOYSA-N 1 0 241.360 1.522 50 0 BDAARO C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CN(C)CCO1 ZINC000253369958 368938163 /nfs/dbraw/zinc/93/81/63/368938163.db2.gz KNWZWXIIIKKQEL-SDDRHHMPSA-N 1 0 244.404 1.191 50 0 BDAARO CCS(=O)(=O)c1ccc(Cl)cc1C[NH3+] ZINC000115694332 369005885 /nfs/dbraw/zinc/00/58/85/369005885.db2.gz AKYAEBVSJMIEQG-UHFFFAOYSA-N 1 0 233.720 1.592 50 0 BDAARO C[C@H](Cn1ccnc1)[NH2+]CC1(CO)CCC1 ZINC000584887063 369034779 /nfs/dbraw/zinc/03/47/79/369034779.db2.gz NJURGPIALOQVPF-LLVKDONJSA-N 1 0 223.320 1.024 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000019266190 181444209 /nfs/dbraw/zinc/44/42/09/181444209.db2.gz MKTUOSLPEQAJKR-SECBINFHSA-N 1 0 249.232 1.695 50 0 BDAARO CC(=O)N(CCC[NH+](C)C)Cc1ccccn1 ZINC000002302100 369090476 /nfs/dbraw/zinc/09/04/76/369090476.db2.gz IJQXLNPDUCIPIV-UHFFFAOYSA-N 1 0 235.331 1.382 50 0 BDAARO Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000019359518 371134606 /nfs/dbraw/zinc/13/46/06/371134606.db2.gz GSDPDUAEOGGTQE-UHFFFAOYSA-N 1 0 204.317 1.742 50 0 BDAARO [NH3+][C@@H](CN1CCCC1)c1ccc(F)cc1 ZINC000019821258 371192713 /nfs/dbraw/zinc/19/27/13/371192713.db2.gz YQZODDBPSPWKIQ-LBPRGKRZSA-N 1 0 208.280 1.921 50 0 BDAARO CCC1(C[NH2+]Cc2ccc3c(c2)OCO3)COC1 ZINC000079100023 371180517 /nfs/dbraw/zinc/18/05/17/371180517.db2.gz JQIAQAZRMLLLQO-UHFFFAOYSA-N 1 0 249.310 1.932 50 0 BDAARO [NH3+][C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 ZINC000095742996 181599598 /nfs/dbraw/zinc/59/95/98/181599598.db2.gz WENOQIOUQAFDMC-TZMCWYRMSA-N 1 0 246.310 1.746 50 0 BDAARO CC(C)[NH2+]C[C@H]1COc2ccccc2C1=O ZINC000096026757 371380784 /nfs/dbraw/zinc/38/07/84/371380784.db2.gz KWSXPIWDXFLMQQ-JTQLQIEISA-N 1 0 219.284 1.876 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)/C=C\c2ccccc2F)C1 ZINC000606441273 372101966 /nfs/dbraw/zinc/10/19/66/372101966.db2.gz NWZZWBLDDQTWSM-ISALQUGTSA-N 1 0 234.274 1.399 50 0 BDAARO O=C(/C=C\c1ccccc1F)N1CCC[NH2+]CC1 ZINC000606442021 372103307 /nfs/dbraw/zinc/10/33/07/372103307.db2.gz ZWRDQMCWZKBABS-SREVYHEPSA-N 1 0 248.301 1.661 50 0 BDAARO O=C(C[NH2+]C1CC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000225505910 181974427 /nfs/dbraw/zinc/97/44/27/181974427.db2.gz SXLIPEXZABKXKF-LBPRGKRZSA-N 1 0 248.330 1.215 50 0 BDAARO CC(=O)Nc1ccc(C[NH2+]C2CC2)cc1 ZINC000008850692 372922589 /nfs/dbraw/zinc/92/25/89/372922589.db2.gz GSVBACKJRSGHHN-UHFFFAOYSA-N 1 0 204.273 1.897 50 0 BDAARO O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc2n[nH]cc2c1 ZINC000042166793 182017999 /nfs/dbraw/zinc/01/79/99/182017999.db2.gz KJMNGCOCBDFOBQ-JTQLQIEISA-N 1 0 244.298 1.644 50 0 BDAARO O=C(NC1CC[NH2+]CC1)Oc1ccccc1 ZINC000019816303 182116275 /nfs/dbraw/zinc/11/62/75/182116275.db2.gz DZWPYPPCMRTSFJ-UHFFFAOYSA-N 1 0 220.272 1.527 50 0 BDAARO C[N@@H+]1CCCC[C@@H]1Cn1ccnc1-c1c[nH]cn1 ZINC000071404190 374267917 /nfs/dbraw/zinc/26/79/17/374267917.db2.gz PGVMQLQEPWVDPO-LLVKDONJSA-N 1 0 245.330 1.758 50 0 BDAARO CCCc1noc(CN2CCC(OC)CC2)n1 ZINC000042632589 374278502 /nfs/dbraw/zinc/27/85/02/374278502.db2.gz UIPBRVVGUKMDNX-UHFFFAOYSA-N 1 0 239.319 1.633 50 0 BDAARO O=C(NCc1ccoc1)C12CCC[NH+]1CCC2 ZINC000225704938 182266048 /nfs/dbraw/zinc/26/60/48/182266048.db2.gz NXVFAVNJSNLEAI-UHFFFAOYSA-N 1 0 234.299 1.524 50 0 BDAARO O=C(N[C@@H]1CCC[NH2+]C1)OCc1ccccc1 ZINC000004202833 182294351 /nfs/dbraw/zinc/29/43/51/182294351.db2.gz GEHZGURGZRSODK-GFCCVEGCSA-N 1 0 234.299 1.665 50 0 BDAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019263731 182329470 /nfs/dbraw/zinc/32/94/70/182329470.db2.gz ZFLKDMGBVZHBAC-NSHDSACASA-N 1 0 204.273 1.168 50 0 BDAARO O=C(Nc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000019409384 182356213 /nfs/dbraw/zinc/35/62/13/182356213.db2.gz VTWUCBHFXGCKCS-VIFPVBQESA-N 1 0 222.263 1.764 50 0 BDAARO O=C(Nc1cccc(F)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188190395 182369292 /nfs/dbraw/zinc/36/92/92/182369292.db2.gz PUONHARLXZNQFG-WCBMZHEXSA-N 1 0 226.226 1.464 50 0 BDAARO CCCC[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC000002492143 168868003 /nfs/dbraw/zinc/86/80/03/168868003.db2.gz RDUHXGIIUDVSHR-GFCCVEGCSA-N 1 0 209.289 1.815 50 0 biogenic,in-man BDAARO O=C(Nc1ccccc1F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188191907 182379157 /nfs/dbraw/zinc/37/91/57/182379157.db2.gz QEIWIXSGJFPPNV-OIBJUYFYSA-N 1 0 226.226 1.464 50 0 BDAARO O=C([C@H]1CCC[NH2+]1)N1CCc2cc(F)ccc2C1 ZINC000083886289 182635954 /nfs/dbraw/zinc/63/59/54/182635954.db2.gz AGAGVLJELHHTMP-CYBMUJFWSA-N 1 0 248.301 1.462 50 0 BDAARO O=c1ccc2ccc(O[C@H]3CCC[NH2+]C3)cc2o1 ZINC000014631808 183000966 /nfs/dbraw/zinc/00/09/66/183000966.db2.gz ZBGPCBWXZLBFHQ-LBPRGKRZSA-N 1 0 245.278 1.924 50 0 BDAARO OC1CC[NH+](CCc2ccccc2)CC1 ZINC000000174174 183028971 /nfs/dbraw/zinc/02/89/71/183028971.db2.gz KYGMSTKBHJVPJK-UHFFFAOYSA-N 1 0 205.301 1.686 50 0 BDAARO OCC[NH+](CCO)Cc1cccc2ccccc21 ZINC000001667263 183066281 /nfs/dbraw/zinc/06/62/81/183066281.db2.gz MZLNBZBQPYWWSH-UHFFFAOYSA-N 1 0 245.322 1.626 50 0 BDAARO OCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000095419458 183079740 /nfs/dbraw/zinc/07/97/40/183079740.db2.gz JCSAEKCMOQQYNG-LBPRGKRZSA-N 1 0 223.341 1.599 50 0 BDAARO OC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000040434837 183118277 /nfs/dbraw/zinc/11/82/77/183118277.db2.gz IISDRBUMWAGCNB-LLVKDONJSA-N 1 0 206.289 1.286 50 0 BDAARO OC[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000041237711 183121357 /nfs/dbraw/zinc/12/13/57/183121357.db2.gz PGNJPRLGKRKCII-LBPRGKRZSA-N 1 0 221.300 1.522 50 0 BDAARO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cscn1 ZINC000063219031 183106658 /nfs/dbraw/zinc/10/66/58/183106658.db2.gz VBUAPKURQWJMEE-GFCCVEGCSA-N 1 0 248.351 1.836 50 0 BDAARO OC[C@@]1(Cc2ccc(F)cc2F)CCC[NH2+]C1 ZINC000067805351 183134883 /nfs/dbraw/zinc/13/48/83/183134883.db2.gz KCJYBWXZEKSFRR-CYBMUJFWSA-N 1 0 241.281 1.869 50 0 BDAARO OC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1F ZINC000098089099 183127652 /nfs/dbraw/zinc/12/76/52/183127652.db2.gz QDJOTQAOTNWMDE-XVKPBYJWSA-N 1 0 229.682 1.774 50 0 BDAARO O[C@@H](C[NH2+][C@H]1CCCSC1)c1ccco1 ZINC000163970316 183181188 /nfs/dbraw/zinc/18/11/88/183181188.db2.gz YLSIFOSJOWRYNU-UWVGGRQHSA-N 1 0 227.329 1.798 50 0 BDAARO O[C@@H]1CCCC[C@H]1[NH+]1CCC(CF)CC1 ZINC000336253942 183190297 /nfs/dbraw/zinc/19/02/97/183190297.db2.gz ZHTSCOWMEFRMAO-VXGBXAGGSA-N 1 0 215.312 1.971 50 0 BDAARO O[C@H](C[NH2+][C@@H]1CCCSC1)c1ccco1 ZINC000163970040 183225241 /nfs/dbraw/zinc/22/52/41/183225241.db2.gz YLSIFOSJOWRYNU-NXEZZACHSA-N 1 0 227.329 1.798 50 0 BDAARO O[C@H](COCc1ccccc1)C[NH+]1CCCC1 ZINC000000177594 183226851 /nfs/dbraw/zinc/22/68/51/183226851.db2.gz GPGFZYXTSUJNFM-AWEZNQCLSA-N 1 0 235.327 1.660 50 0 BDAARO O[C@]1(C(F)(F)F)CC[N@H+](CC2CCC2)C1 ZINC000097012414 183251000 /nfs/dbraw/zinc/25/10/00/183251000.db2.gz FQCKHNRPKQYVQC-SECBINFHSA-N 1 0 223.238 1.786 50 0 BDAARO Oc1ccc(C[NH+]2CCSCC2)cc1 ZINC000000199869 183269084 /nfs/dbraw/zinc/26/90/84/183269084.db2.gz DVCIOJFACJXFDA-UHFFFAOYSA-N 1 0 209.314 1.941 50 0 BDAARO CCC[NH+]1CCC(NN2CCCCC2)CC1 ZINC000019169497 169187855 /nfs/dbraw/zinc/18/78/55/169187855.db2.gz HHYMBTJXQFMFIT-UHFFFAOYSA-N 1 0 225.380 1.851 50 0 BDAARO c1cc(-c2noc([C@H]3CCC[NH2+]3)n2)ccn1 ZINC000019089624 183333665 /nfs/dbraw/zinc/33/36/65/183333665.db2.gz VSJDOOYVZDYJOU-SECBINFHSA-N 1 0 216.244 1.556 50 0 BDAARO CCC[N@@H+]1CCCN(c2cnccn2)CC1 ZINC000084755322 169193014 /nfs/dbraw/zinc/19/30/14/169193014.db2.gz FYEOEBIOKGNPEP-UHFFFAOYSA-N 1 0 220.320 1.399 50 0 BDAARO CCC[N@@H+]1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21 ZINC000004629192 169198585 /nfs/dbraw/zinc/19/85/85/169198585.db2.gz FTSUPYGMFAPCFZ-ZWNOBZJWSA-N 1 0 219.332 1.999 50 0 in-man BDAARO CCCN(Cc1cccnc1)C(=O)[C@H]1CC[NH2+]C1 ZINC000055052549 169178335 /nfs/dbraw/zinc/17/83/35/169178335.db2.gz VUUTWURZQBBSDX-ZDUSSCGKSA-N 1 0 247.342 1.430 50 0 BDAARO c1cc(C2CC[NH2+]CC2)nc(NC2CC2)n1 ZINC000091690443 183337215 /nfs/dbraw/zinc/33/72/15/183337215.db2.gz CKEDRQXEZKIGCA-UHFFFAOYSA-N 1 0 218.304 1.518 50 0 BDAARO c1cc(CC[NH2+]C[C@H]2CCCO2)ccn1 ZINC000032919818 183337690 /nfs/dbraw/zinc/33/76/90/183337690.db2.gz MLKWJDBNORRIQL-GFCCVEGCSA-N 1 0 206.289 1.393 50 0 BDAARO c1cn2c(n1)[C@@H](C[NH2+]Cc1ccncc1)CCC2 ZINC000084615157 183351785 /nfs/dbraw/zinc/35/17/85/183351785.db2.gz OXYKYMSZFZTWLK-CYBMUJFWSA-N 1 0 242.326 1.945 50 0 BDAARO c1ccc(-c2noc([C@H]3CC[NH2+]C3)n2)nc1 ZINC000062119517 183385501 /nfs/dbraw/zinc/38/55/01/183385501.db2.gz IPQPWFMHDZQARY-QMMMGPOBSA-N 1 0 216.244 1.209 50 0 BDAARO c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCCO2 ZINC000006747484 183367952 /nfs/dbraw/zinc/36/79/52/183367952.db2.gz BTSJQNIDOWQNNA-LBPRGKRZSA-N 1 0 249.310 1.726 50 0 BDAARO c1ccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000043705203 183385616 /nfs/dbraw/zinc/38/56/16/183385616.db2.gz DZVIQWMODHUUFR-JTQLQIEISA-N 1 0 231.255 1.398 50 0 BDAARO c1c(-c2ccccc2)nnn1[C@H]1CC[NH2+]C1 ZINC000096034683 183380724 /nfs/dbraw/zinc/38/07/24/183380724.db2.gz YHOATTPSCULFAH-NSHDSACASA-N 1 0 214.272 1.480 50 0 BDAARO c1[nH]c2ccccc2c1CN1CC[NH2+]CC1 ZINC000022924625 183436968 /nfs/dbraw/zinc/43/69/68/183436968.db2.gz ZTNAIHGOFCMOPJ-UHFFFAOYSA-N 1 0 215.300 1.573 50 0 BDAARO CCCS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246870534 169333449 /nfs/dbraw/zinc/33/34/49/169333449.db2.gz GDRFILGWWAACCH-GHMZBOCLSA-N 1 0 248.392 1.045 50 0 BDAARO CCC[C@@H]([NH3+])C(=O)NCc1cccs1 ZINC000036873151 169390812 /nfs/dbraw/zinc/39/08/12/169390812.db2.gz MKDMVYVSATUOKA-SECBINFHSA-N 1 0 212.318 1.492 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000004203032 166652112 /nfs/dbraw/zinc/65/21/12/166652112.db2.gz OGCCBDIYOAFOGK-QMMMGPOBSA-N 1 0 200.282 1.202 50 0 BDAARO CCCn1c[n+](CCc2ccccc2)cn1 ZINC000252489871 169615435 /nfs/dbraw/zinc/61/54/35/169615435.db2.gz KDGPBLQLJFHJQR-UHFFFAOYSA-N 1 0 216.308 1.823 50 0 BDAARO O=C1O[C@@]2(CCC[NH2+]C2)c2ccccc21 ZINC000066347993 383859900 /nfs/dbraw/zinc/85/99/00/383859900.db2.gz TZVXKRQCQSKVAY-GFCCVEGCSA-N 1 0 203.241 1.436 50 0 BDAARO C1C[NH2+]C[C@H](c2nc(C3CCOCC3)no2)C1 ZINC000087810443 383867697 /nfs/dbraw/zinc/86/76/97/383867697.db2.gz PCDLGYHEJNUIQS-SNVBAGLBSA-N 1 0 237.303 1.431 50 0 BDAARO C[NH+](C)CCNC(=S)Nc1cccc(F)c1 ZINC000000472805 383869524 /nfs/dbraw/zinc/86/95/24/383869524.db2.gz SPBNDPCEIIPFIC-UHFFFAOYSA-N 1 0 241.335 1.674 50 0 BDAARO CN1c2ccccc2C2(CC[NH2+]CC2)C1=O ZINC000067425254 383924038 /nfs/dbraw/zinc/92/40/38/383924038.db2.gz VZIOGCSCMHCRQH-UHFFFAOYSA-N 1 0 216.284 1.284 50 0 in-vitro BDAARO Cc1cc(Br)cn2cc(C[NH3+])nc12 ZINC000036243544 383890769 /nfs/dbraw/zinc/89/07/69/383890769.db2.gz TWKLTPABXDUHCP-UHFFFAOYSA-N 1 0 240.104 1.864 50 0 BDAARO [NH3+]C[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 ZINC000050245933 383986774 /nfs/dbraw/zinc/98/67/74/383986774.db2.gz AJPBXCGURNZUPK-JTQLQIEISA-N 1 0 236.290 1.175 50 0 BDAARO C[C@H](O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000158505202 383996069 /nfs/dbraw/zinc/99/60/69/383996069.db2.gz NMJVNJAIEIAYDF-JGVFFNPUSA-N 1 0 211.227 1.642 50 0 BDAARO COC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000071910304 383997864 /nfs/dbraw/zinc/99/78/64/383997864.db2.gz LTOHRHQKQDQRDC-NWDGAFQWSA-N 1 0 215.337 1.504 50 0 BDAARO Cc1ccc(/C=C\C(=O)N2CC[C@@H](C[NH3+])C2)o1 ZINC000255130991 384003179 /nfs/dbraw/zinc/00/31/79/384003179.db2.gz NWKWHICJKXETIQ-WYGGZMRJSA-N 1 0 234.299 1.408 50 0 BDAARO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000091689069 383937436 /nfs/dbraw/zinc/93/74/36/383937436.db2.gz FPRLPQVVPDEPBQ-VXGBXAGGSA-N 1 0 220.316 1.674 50 0 BDAARO CC1(C)[NH2+]CC[C@@H]1NCCCOc1cccnc1 ZINC000067908286 383959310 /nfs/dbraw/zinc/95/93/10/383959310.db2.gz BPXOUVZIMJSDIL-ZDUSSCGKSA-N 1 0 249.358 1.581 50 0 BDAARO Cc1noc(C)c1CNC1CC[NH+](C)CC1 ZINC000037248731 383964950 /nfs/dbraw/zinc/96/49/50/383964950.db2.gz IQHKGCDQZNGUAB-UHFFFAOYSA-N 1 0 223.320 1.475 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000004203951 384045050 /nfs/dbraw/zinc/04/50/50/384045050.db2.gz LGEWGFOMLJQHLL-NXEZZACHSA-N 1 0 226.320 1.605 50 0 BDAARO CC(C)(C)OC(=O)N1CC([C@H]2CCC[NH2+]C2)C1 ZINC000090411817 384048818 /nfs/dbraw/zinc/04/88/18/384048818.db2.gz CGALLHHGALTGRV-JTQLQIEISA-N 1 0 240.347 1.853 50 0 BDAARO CC[N@H+](CCO)Cc1cc(F)ccc1N ZINC000037900031 384038639 /nfs/dbraw/zinc/03/86/39/384038639.db2.gz DWGCZKGCOVEZHD-UHFFFAOYSA-N 1 0 212.268 1.222 50 0 BDAARO CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC000004312777 384057959 /nfs/dbraw/zinc/05/79/59/384057959.db2.gz HLJPYZSQIJPJIM-UHFFFAOYSA-N 1 0 210.321 1.245 50 0 BDAARO Cc1c(C[NH+]2CCC3(CC[C@@H]3O)CC2)cnn1C ZINC000257185537 384060960 /nfs/dbraw/zinc/06/09/60/384060960.db2.gz JOYPCVFEOPZSEE-ZDUSSCGKSA-N 1 0 249.358 1.465 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H]2[NH3+])C1 ZINC000091304824 384118285 /nfs/dbraw/zinc/11/82/85/384118285.db2.gz ARDLFRHCGVVGHP-SKDRFNHKSA-N 1 0 226.320 1.735 50 0 BDAARO C[N@H+](CCN1CCCC1=O)[C@H]1C=CCCC1 ZINC000071903181 384138426 /nfs/dbraw/zinc/13/84/26/384138426.db2.gz HHCBBYVTPYYDCS-LBPRGKRZSA-N 1 0 222.332 1.649 50 0 BDAARO CC[C@@H](NC(=O)C[NH2+]C)c1nc(C)c(C)s1 ZINC000071681197 384173333 /nfs/dbraw/zinc/17/33/33/384173333.db2.gz JAVVFYQFMIMVSR-SECBINFHSA-N 1 0 241.360 1.547 50 0 BDAARO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1F ZINC000090849589 384162823 /nfs/dbraw/zinc/16/28/23/384162823.db2.gz LLKLBGRSHBVWNT-GXFFZTMASA-N 1 0 239.290 1.628 50 0 BDAARO CCc1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC000227973995 384170852 /nfs/dbraw/zinc/17/08/52/384170852.db2.gz QPUQCUQIHNCCLS-DOMZBBRYSA-N 1 0 249.354 1.879 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH3+])C1 ZINC000117941062 384185976 /nfs/dbraw/zinc/18/59/76/384185976.db2.gz QTTMMHODJVCZPK-JTQLQIEISA-N 1 0 228.336 1.982 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](C[NH3+])C1 ZINC000072267109 384203920 /nfs/dbraw/zinc/20/39/20/384203920.db2.gz XGPKBQDMQMWFFR-DTWKUNHWSA-N 1 0 232.299 1.540 50 0 BDAARO CO[C@H](C)c1nc(CN2CC[NH2+]CC2)cs1 ZINC000072314781 384206299 /nfs/dbraw/zinc/20/62/99/384206299.db2.gz KKPQNCNHQNXBOE-SECBINFHSA-N 1 0 241.360 1.256 50 0 BDAARO C(c1noc(C2CC2)n1)C1CC[NH2+]CC1 ZINC000042384090 384217773 /nfs/dbraw/zinc/21/77/73/384217773.db2.gz YJIFMMUOUPXZOL-UHFFFAOYSA-N 1 0 207.277 1.489 50 0 BDAARO Cc1cnn(CC[NH2+]CCOC(C)C)c1 ZINC000072253098 384243110 /nfs/dbraw/zinc/24/31/10/384243110.db2.gz GSICNYZCJBRNCC-UHFFFAOYSA-N 1 0 211.309 1.206 50 0 BDAARO Cc1nsc(N2CC[C@H]([NH+](C)C)[C@@H]2C)n1 ZINC000408518491 384273305 /nfs/dbraw/zinc/27/33/05/384273305.db2.gz KPHBZVNQNSLBPE-CBAPKCEASA-N 1 0 226.349 1.375 50 0 BDAARO C[C@@H](CC(=O)N1CC[NH2+][C@@H](C)C1)c1ccncc1 ZINC000408519305 384276598 /nfs/dbraw/zinc/27/65/98/384276598.db2.gz QOEVNNZJMZTDGN-RYUDHWBXSA-N 1 0 247.342 1.396 50 0 BDAARO CC(=O)Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC000042782844 384242044 /nfs/dbraw/zinc/24/20/44/384242044.db2.gz KOWKXFGBHYHGDS-CYBMUJFWSA-N 1 0 234.299 1.776 50 0 BDAARO [NH3+]CCOc1ccccc1Br ZINC000011945817 384305472 /nfs/dbraw/zinc/30/54/72/384305472.db2.gz UWRFNXLTMNVOTG-UHFFFAOYSA-N 1 0 216.078 1.787 50 0 BDAARO [NH3+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000012336351 384312029 /nfs/dbraw/zinc/31/20/29/384312029.db2.gz BYTINHZLLQJDHE-UHFFFAOYSA-N 1 0 208.652 1.379 50 0 BDAARO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@H]1O ZINC000335364049 384279456 /nfs/dbraw/zinc/27/94/56/384279456.db2.gz RWFRKLGDHRAQFZ-VXGBXAGGSA-N 1 0 225.263 1.017 50 0 BDAARO CCC1(NC(=O)[C@]2(F)CC[NH2+]C2)CCC1 ZINC000097019836 384284260 /nfs/dbraw/zinc/28/42/60/384284260.db2.gz UMLNSMMJBJNDRO-NSHDSACASA-N 1 0 214.284 1.137 50 0 BDAARO Cc1ccc([C@@H]([NH3+])c2nccn2C)cc1 ZINC000011735131 384294246 /nfs/dbraw/zinc/29/42/46/384294246.db2.gz KQMDMLZPBYMHAV-LLVKDONJSA-N 1 0 201.273 1.777 50 0 BDAARO FC(F)(F)c1ccc([C@H]2C[NH2+]CCN2)cc1 ZINC000095079073 384356529 /nfs/dbraw/zinc/35/65/29/384356529.db2.gz NLNCQJXRJLNBOU-SNVBAGLBSA-N 1 0 230.233 1.939 50 0 BDAARO COC(=O)C(C)(C)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000097081554 384323527 /nfs/dbraw/zinc/32/35/27/384323527.db2.gz JKVJXHWEGLAZAV-UWVGGRQHSA-N 1 0 243.347 1.731 50 0 BDAARO COC[C@@H](C)[NH2+]CCOc1ccccc1 ZINC000044295870 384325141 /nfs/dbraw/zinc/32/51/41/384325141.db2.gz UUJXKEPPQVLAMQ-LLVKDONJSA-N 1 0 209.289 1.690 50 0 BDAARO CC[C@H](CO)[NH+]1CCN(c2cccc(C)n2)CC1 ZINC000097096512 384334132 /nfs/dbraw/zinc/33/41/32/384334132.db2.gz XWTNTHCFTSJZBF-CYBMUJFWSA-N 1 0 249.358 1.283 50 0 BDAARO COC(=O)c1ccc(N2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000077011492 384392373 /nfs/dbraw/zinc/39/23/73/384392373.db2.gz OYEUPRPCCUJZEP-LLVKDONJSA-N 1 0 248.326 1.614 50 0 BDAARO C(C[C@H]1CCCC[NH2+]1)OC[C@H]1CCCO1 ZINC000014632322 384398622 /nfs/dbraw/zinc/39/86/22/384398622.db2.gz POLNDYKRIKKWTI-VXGBXAGGSA-N 1 0 213.321 1.714 50 0 BDAARO C(C[C@@H]1CCCC[NH2+]1)OC[C@H]1CCCO1 ZINC000014632321 384398871 /nfs/dbraw/zinc/39/88/71/384398871.db2.gz POLNDYKRIKKWTI-NWDGAFQWSA-N 1 0 213.321 1.714 50 0 BDAARO Nc1ccnc(C[NH+]2CCCCCCC2)n1 ZINC000134953846 384402013 /nfs/dbraw/zinc/40/20/13/384402013.db2.gz CIGORRRWTBSZNB-UHFFFAOYSA-N 1 0 220.320 1.825 50 0 BDAARO C[C@]1(C[NH3+])CCCN1Cc1ccccc1 ZINC000095868152 384402120 /nfs/dbraw/zinc/40/21/20/384402120.db2.gz CXOCJFUGPZTFSC-CYBMUJFWSA-N 1 0 204.317 2.000 50 0 BDAARO CC(C)=CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000084671223 384406385 /nfs/dbraw/zinc/40/63/85/384406385.db2.gz KGWXENQDNVSZEN-ZDUSSCGKSA-N 1 0 234.347 1.956 50 0 BDAARO c1cnc(SC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000095908598 384407672 /nfs/dbraw/zinc/40/76/72/384407672.db2.gz LZKWZASHCZDWFO-ULKQDVFKSA-N 1 0 221.329 1.852 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)/C=C/c1ccccn1 ZINC000237845040 384408713 /nfs/dbraw/zinc/40/87/13/384408713.db2.gz ZMBQHDUYYRHUEJ-GWJCSSMESA-N 1 0 245.326 1.435 50 0 BDAARO c1cnc(-c2noc(CC3CC[NH2+]CC3)n2)cn1 ZINC000045893435 384411396 /nfs/dbraw/zinc/41/13/96/384411396.db2.gz IYJDDZKMTZNELS-UHFFFAOYSA-N 1 0 245.286 1.069 50 0 BDAARO [NH3+][C@H](C(=O)Nc1cn[nH]c1)c1ccccc1 ZINC000095949426 384418659 /nfs/dbraw/zinc/41/86/59/384418659.db2.gz WMEBWSUALAMHAF-JTQLQIEISA-N 1 0 216.244 1.048 50 0 BDAARO c1cn(Cc2ccccn2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000096032242 384421549 /nfs/dbraw/zinc/42/15/49/384421549.db2.gz LXRFZDFSKFBKCH-GFCCVEGCSA-N 1 0 242.326 1.793 50 0 BDAARO CC(=O)NCCOc1cccc2ccc[n+](C)c21 ZINC000096191769 384443117 /nfs/dbraw/zinc/44/31/17/384443117.db2.gz QLTVFKAMBIXRJJ-UHFFFAOYSA-O 1 0 245.302 1.179 50 0 BDAARO Cn1cccc1-c1noc(C2CC[NH2+]CC2)n1 ZINC000096531605 384466048 /nfs/dbraw/zinc/46/60/48/384466048.db2.gz UTOZNUHVQYINSH-UHFFFAOYSA-N 1 0 232.287 1.542 50 0 BDAARO C[C@@H]([NH2+]CCOCC1CC1)c1cnn(C)c1 ZINC000097016858 384496885 /nfs/dbraw/zinc/49/68/85/384496885.db2.gz DUHQZMSBYBFFNT-SNVBAGLBSA-N 1 0 223.320 1.497 50 0 BDAARO Cc1ccc(C(=O)NCCC[NH+]2CCCC2)o1 ZINC000061547725 384488750 /nfs/dbraw/zinc/48/87/50/384488750.db2.gz HLPWPVSPUPQBKD-UHFFFAOYSA-N 1 0 236.315 1.804 50 0 BDAARO [NH3+]Cc1cc2cccc3c2n(c1=O)CCC3 ZINC000040165804 384511235 /nfs/dbraw/zinc/51/12/35/384511235.db2.gz OQEZGPXURARDCU-UHFFFAOYSA-N 1 0 214.268 1.406 50 0 BDAARO Cc1ccc(C)c(OCCN2CC[NH2+]CC2)c1 ZINC000019728616 384534419 /nfs/dbraw/zinc/53/44/19/384534419.db2.gz KQKAYMBUZTZGOA-UHFFFAOYSA-N 1 0 234.343 1.587 50 0 BDAARO C[NH2+][C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000019735489 384534965 /nfs/dbraw/zinc/53/49/65/384534965.db2.gz QZWNATGKKLVYRO-CQSZACIVSA-N 1 0 248.370 1.922 50 0 BDAARO CN(C)c1cncc([C@H]2CCC[NH2+]C2)n1 ZINC000019686777 384532275 /nfs/dbraw/zinc/53/22/75/384532275.db2.gz PYNQWSQDMRIOJT-VIFPVBQESA-N 1 0 206.293 1.010 50 0 BDAARO [NH3+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000049649042 384554737 /nfs/dbraw/zinc/55/47/37/384554737.db2.gz NUQCMSALWYGKNK-SECBINFHSA-N 1 0 228.654 1.543 50 0 BDAARO c1csc(C[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069521416 384586573 /nfs/dbraw/zinc/58/65/73/384586573.db2.gz MDBFFVIZHUBUEK-VIFPVBQESA-N 1 0 234.328 1.444 50 0 BDAARO Cc1csc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000049815043 384567579 /nfs/dbraw/zinc/56/75/79/384567579.db2.gz HPXWOHLQSZGUPU-SECBINFHSA-N 1 0 211.334 1.418 50 0 BDAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1nccn1C ZINC000095448834 384618180 /nfs/dbraw/zinc/61/81/80/384618180.db2.gz XFLLQRMVUJIIJC-MNOVXSKESA-N 1 0 249.314 1.615 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000100294973 384631110 /nfs/dbraw/zinc/63/11/10/384631110.db2.gz HHYUNZXSGVNMOY-ILWJIGKKSA-N 1 0 226.320 1.509 50 0 BDAARO CN(C)c1cc(C[NH3+])c2ccccc2n1 ZINC000051396489 384666040 /nfs/dbraw/zinc/66/60/40/384666040.db2.gz DITYDNHMDFIHEA-UHFFFAOYSA-N 1 0 201.273 1.760 50 0 BDAARO [NH3+]CCc1nc(Cc2ccc(Cl)cc2)no1 ZINC000021010768 384645329 /nfs/dbraw/zinc/64/53/29/384645329.db2.gz VLRFEGKHTKRQLZ-UHFFFAOYSA-N 1 0 237.690 1.815 50 0 BDAARO COC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000050974637 384655492 /nfs/dbraw/zinc/65/54/92/384655492.db2.gz UBXOGDCEHWDILC-CQSZACIVSA-N 1 0 249.310 1.187 50 0 BDAARO [NH3+]C[C@H](O)c1ccc(OC(F)F)cc1 ZINC000021948596 384707349 /nfs/dbraw/zinc/70/73/49/384707349.db2.gz OSJPAJKRRGXALE-QMMMGPOBSA-N 1 0 203.188 1.280 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccc(Cl)cc1N ZINC000021955629 384709752 /nfs/dbraw/zinc/70/97/52/384709752.db2.gz RIXOEKBMZHLIDO-UHFFFAOYSA-N 1 0 241.722 1.214 50 0 BDAARO COC(=O)[C@]1(N)CCC[N@H+](Cc2ccccc2)C1 ZINC000022029289 384722623 /nfs/dbraw/zinc/72/26/23/384722623.db2.gz RVOVJXXETIQTGF-AWEZNQCLSA-N 1 0 248.326 1.153 50 0 biogenic BDAARO CN(CC[NH+](C)C)Cc1c(F)cccc1F ZINC000022455145 384763494 /nfs/dbraw/zinc/76/34/94/384763494.db2.gz FWMZRLOUBHUDKV-UHFFFAOYSA-N 1 0 228.286 1.958 50 0 BDAARO Cc1ccc(F)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000084933945 384768023 /nfs/dbraw/zinc/76/80/23/384768023.db2.gz WEDPBVRSZJGXJV-NSHDSACASA-N 1 0 209.264 1.701 50 0 BDAARO [NH3+][C@@H]1CC[C@H](C(=O)NCCC(F)(F)F)C1 ZINC000085013026 384770227 /nfs/dbraw/zinc/77/02/27/384770227.db2.gz RFDHMAXBMSMKPG-NKWVEPMBSA-N 1 0 224.226 1.182 50 0 BDAARO Cc1csc(CC2(O)CC[NH2+]CC2)n1 ZINC000087394261 384783095 /nfs/dbraw/zinc/78/30/95/384783095.db2.gz VXPKSLBCYXCPPT-UHFFFAOYSA-N 1 0 212.318 1.109 50 0 BDAARO c1ccc2c(c1)CC(N1CCC[NH2+]CC1)C2 ZINC000023093605 384788261 /nfs/dbraw/zinc/78/82/61/384788261.db2.gz ZUEHLSSZZFEZLM-UHFFFAOYSA-N 1 0 216.328 1.449 50 0 BDAARO CC(C)n1cnnc1C[C@@H]1CCC[NH2+]C1 ZINC000054498084 384844076 /nfs/dbraw/zinc/84/40/76/384844076.db2.gz BTNCLBKJYLDOIQ-JTQLQIEISA-N 1 0 208.309 1.401 50 0 BDAARO O=C(c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000147675885 384849958 /nfs/dbraw/zinc/84/99/58/384849958.db2.gz CGPAHSQPUFYIAT-UHFFFAOYSA-N 1 0 240.100 1.851 50 0 BDAARO Cc1nc(Cl)cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000583650812 384856069 /nfs/dbraw/zinc/85/60/69/384856069.db2.gz BTFHMIFBYJDVGM-OCAPTIKFSA-N 1 0 240.738 1.625 50 0 BDAARO C[C@@H]1[C@H]([NH3+])CC(=O)N1Cc1ccccc1 ZINC000084367767 384861369 /nfs/dbraw/zinc/86/13/69/384861369.db2.gz WAOBUUMLISOCEV-MWLCHTKSSA-N 1 0 204.273 1.135 50 0 BDAARO COc1ccccc1CNCCC[NH+](C)C ZINC000054979089 384862126 /nfs/dbraw/zinc/86/21/26/384862126.db2.gz UOUUTIRWUAPTJI-UHFFFAOYSA-N 1 0 222.332 1.737 50 0 BDAARO Cc1ccc([C@@H]([NH3+])[C@@H](C)S(C)(=O)=O)cc1 ZINC000054930020 384862482 /nfs/dbraw/zinc/86/24/82/384862482.db2.gz CIGPVICRESLYOY-KOLCDFICSA-N 1 0 227.329 1.428 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH3+] ZINC000057219283 384934289 /nfs/dbraw/zinc/93/42/89/384934289.db2.gz GTBJUDHXQLLKID-BDAKNGLRSA-N 1 0 214.309 1.639 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC000057219123 384936107 /nfs/dbraw/zinc/93/61/07/384936107.db2.gz KQJIICGAXIAFIA-RKDXNWHRSA-N 1 0 212.293 1.358 50 0 BDAARO C[NH+](C)CCSc1ncn(-c2ccccc2)n1 ZINC000058044950 384978536 /nfs/dbraw/zinc/97/85/36/384978536.db2.gz RDYFFZKOPNOUKU-UHFFFAOYSA-N 1 0 248.355 1.921 50 0 BDAARO C[C@@H](C[NH3+])n1nc(-c2cccs2)ccc1=O ZINC000058034463 384980485 /nfs/dbraw/zinc/98/04/85/384980485.db2.gz ZVLROAGERVSWQM-QMMMGPOBSA-N 1 0 235.312 1.492 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000058014290 384980596 /nfs/dbraw/zinc/98/05/96/384980596.db2.gz WMHCMNNQLHDWAK-CSXHZRMWSA-N 1 0 236.359 1.943 50 0 BDAARO CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000058191410 384990471 /nfs/dbraw/zinc/99/04/71/384990471.db2.gz OWMDHNBWTGGMCR-GFCCVEGCSA-N 1 0 212.337 1.633 50 0 BDAARO CN(CCCCNC(N)=[NH2+])c1ccccc1 ZINC000058304787 384996506 /nfs/dbraw/zinc/99/65/06/384996506.db2.gz SBUOJHJFCWVULL-UHFFFAOYSA-N 1 0 220.320 1.386 50 0 BDAARO O=C(OC[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000086229838 384996747 /nfs/dbraw/zinc/99/67/47/384996747.db2.gz SPTCFMPHLMNYPF-SNVBAGLBSA-N 1 0 212.293 1.361 50 0 BDAARO C[n+]1cccc(-c2nsnc2Cl)c1 ZINC000032918609 385189831 /nfs/dbraw/zinc/18/98/31/385189831.db2.gz WQPPYARIYBMWQE-UHFFFAOYSA-N 1 0 212.685 1.683 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000158136704 385228797 /nfs/dbraw/zinc/22/87/97/385228797.db2.gz UXYUGCXCHRZUAG-AAOUONPWSA-N 1 0 249.289 1.184 50 0 BDAARO CC(C)=CC[N@@H+]1CCN(C(C)=O)CC1(C)C ZINC000096492517 385232402 /nfs/dbraw/zinc/23/24/02/385232402.db2.gz AJFQIJIMGLHRHS-UHFFFAOYSA-N 1 0 224.348 1.895 50 0 BDAARO CCCn1cnnc1C[NH2+][C@H]1CCSC1 ZINC000065398831 385306838 /nfs/dbraw/zinc/30/68/38/385306838.db2.gz XJEMZQSVURCLPY-VIFPVBQESA-N 1 0 226.349 1.283 50 0 BDAARO COc1cc(N2CC([NH+]3CCCCC3)C2)ncn1 ZINC000065424221 385309049 /nfs/dbraw/zinc/30/90/49/385309049.db2.gz PEUGSNHDEHSZRM-UHFFFAOYSA-N 1 0 248.330 1.160 50 0 BDAARO Cc1ccc(NCCC[NH2+][C@@H](C)CO)nc1 ZINC000065458634 385315220 /nfs/dbraw/zinc/31/52/20/385315220.db2.gz AJPHOUKHKLOJQF-NSHDSACASA-N 1 0 223.320 1.162 50 0 BDAARO CCCc1nc(C)c(C[NH2+][C@H](C)CO)s1 ZINC000065532750 385321677 /nfs/dbraw/zinc/32/16/77/385321677.db2.gz HLOOLNGUDSNXMK-MRVPVSSYSA-N 1 0 228.361 1.874 50 0 BDAARO CC(=O)Nc1ccccc1C[N@@H+](C)C[C@@H](C)O ZINC000130807073 385284550 /nfs/dbraw/zinc/28/45/50/385284550.db2.gz WPBWOAQPUBRWDO-SNVBAGLBSA-N 1 0 236.315 1.458 50 0 BDAARO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)CO1 ZINC000396534145 385286348 /nfs/dbraw/zinc/28/63/48/385286348.db2.gz LTYVQCAKNGNYKC-GFCCVEGCSA-N 1 0 248.326 1.443 50 0 BDAARO Cc1cnc(C[C@H]2CC[NH2+]C2)n1C(C)C ZINC000169676766 385416829 /nfs/dbraw/zinc/41/68/29/385416829.db2.gz FIWQMZAJZZVQBZ-LLVKDONJSA-N 1 0 207.321 1.924 50 0 BDAARO c1ccc2[nH]c(CN3CCC[NH2+]CC3)nc2c1 ZINC000034977212 385648881 /nfs/dbraw/zinc/64/88/81/385648881.db2.gz MZNFGSXZOMEAAE-UHFFFAOYSA-N 1 0 230.315 1.358 50 0 BDAARO CS[C@@H]1CCC[C@@H]1[N@H+](C)CCCO ZINC000229837174 385680453 /nfs/dbraw/zinc/68/04/53/385680453.db2.gz XBHRSXQZFZPHGY-VHSXEESVSA-N 1 0 203.351 1.585 50 0 BDAARO Fc1ccc(C[NH2+][C@H]2CCCOCC2)nc1 ZINC000309568396 385704431 /nfs/dbraw/zinc/70/44/31/385704431.db2.gz LTOQCLIHIQXQPV-NSHDSACASA-N 1 0 224.279 1.879 50 0 BDAARO CCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C ZINC000232013738 385829440 /nfs/dbraw/zinc/82/94/40/385829440.db2.gz GRXIWBAKFQTJIP-VWYCJHECSA-N 1 0 212.337 1.809 50 0 BDAARO CCC1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000087315672 386108711 /nfs/dbraw/zinc/10/87/11/386108711.db2.gz YQPPXYVEADYBQE-NSHDSACASA-N 1 0 224.348 1.825 50 0 BDAARO COC(=O)c1cnc([C@@H](N)CC(C)C)o1 ZINC000263619734 386156000 /nfs/dbraw/zinc/15/60/00/386156000.db2.gz OOOYBDVLQRINGT-ZETCQYMHSA-N 1 0 212.249 1.507 50 0 BDAARO C[NH2+][C@@H](C)CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC000261808581 386181305 /nfs/dbraw/zinc/18/13/05/386181305.db2.gz SLXNSRVPHLASHZ-VIFPVBQESA-N 1 0 246.314 1.209 50 0 BDAARO CCc1ccc(O)c(NC(=O)[C@@H](C)[NH3+])c1 ZINC000087050082 386436936 /nfs/dbraw/zinc/43/69/36/386436936.db2.gz MYGYHMGWYJAILV-SSDOTTSWSA-N 1 0 208.261 1.240 50 0 BDAARO O=C1NCCCCCC[NH2+][C@@H]2CCC[C@H]12 ZINC000521398693 386422735 /nfs/dbraw/zinc/42/27/35/386422735.db2.gz BMWVYXFGEQCOFA-WDEREUQCSA-N 1 0 210.321 1.435 50 0 BDAARO CN(Cc1ccc(CO)o1)Cc1ccncc1 ZINC000097081874 386628339 /nfs/dbraw/zinc/62/83/39/386628339.db2.gz ZBWOJSFPFSSOKM-UHFFFAOYSA-N 1 0 232.283 1.799 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1F ZINC000063058209 386665223 /nfs/dbraw/zinc/66/52/23/386665223.db2.gz UEHXEAXAFWTCRB-JTQLQIEISA-N 1 0 236.290 1.568 50 0 BDAARO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(F)c1 ZINC000585116017 386671709 /nfs/dbraw/zinc/67/17/09/386671709.db2.gz DIZNUWKWPMEXSK-QWHCGFSZSA-N 1 0 239.290 1.143 50 0 BDAARO Cc1noc(C)c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000035276511 386699684 /nfs/dbraw/zinc/69/96/84/386699684.db2.gz VGDQQXATPQIPQE-VIFPVBQESA-N 1 0 234.303 1.666 50 0 BDAARO Cc1ccc(C)c(CC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000088059118 386733851 /nfs/dbraw/zinc/73/38/51/386733851.db2.gz OQFPNKMPFLEVPY-CYBMUJFWSA-N 1 0 246.354 1.666 50 0 BDAARO Cc1cc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1F ZINC000088058884 386735067 /nfs/dbraw/zinc/73/50/67/386735067.db2.gz WQYUPLNKMXMXFV-SNVBAGLBSA-N 1 0 236.290 1.568 50 0 BDAARO C[C@@]12CC[N@H+](Cc3cc[nH]n3)C[C@@H]1C2(F)F ZINC000292765573 386721410 /nfs/dbraw/zinc/72/14/10/386721410.db2.gz JXJMUMMJUNJTCD-VHSXEESVSA-N 1 0 227.258 1.887 50 0 BDAARO CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)C[NH2+]1 ZINC000238172462 387034395 /nfs/dbraw/zinc/03/43/95/387034395.db2.gz BLEBGRGBFNZIIP-HTQZYQBOSA-N 1 0 218.272 1.211 50 0 BDAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2C)C1 ZINC000053202218 387019012 /nfs/dbraw/zinc/01/90/12/387019012.db2.gz KXFQKLKBVYLNFG-CQSZACIVSA-N 1 0 246.354 1.748 50 0 BDAARO CC(C)[N@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000054110251 387153549 /nfs/dbraw/zinc/15/35/49/387153549.db2.gz VTZKVQPYSXUZOE-UHFFFAOYSA-N 1 0 249.358 1.268 50 0 BDAARO C[C@H]([C@H](C)[NH2+]C[C@H]1CCCCO1)n1cccn1 ZINC000229567279 387180150 /nfs/dbraw/zinc/18/01/50/387180150.db2.gz BSMBSVRSKVHRJM-YNEHKIRRSA-N 1 0 237.347 1.991 50 0 BDAARO Cc1ccc([C@@]2(O)CCC[NH2+]C2)c(C)c1 ZINC000071509800 387284069 /nfs/dbraw/zinc/28/40/69/387284069.db2.gz XJVGUVMWEBRHCK-CYBMUJFWSA-N 1 0 205.301 1.874 50 0 BDAARO Cc1cc(C)cc(C[NH2+]CC[S@](C)=O)c1 ZINC000089585245 387382103 /nfs/dbraw/zinc/38/21/03/387382103.db2.gz YEOVXPAKIRPGFJ-OAHLLOKOSA-N 1 0 225.357 1.772 50 0 BDAARO C[NH+](C)CCNc1ncccc1Br ZINC000026898976 387348254 /nfs/dbraw/zinc/34/82/54/387348254.db2.gz VBBOTJMWCFIKMP-UHFFFAOYSA-N 1 0 244.136 1.818 50 0 BDAARO Cc1cscc1C(=O)N1CCC[NH2+]CC1 ZINC000086814967 387454515 /nfs/dbraw/zinc/45/45/15/387454515.db2.gz LCXOKNPVKYPVGG-UHFFFAOYSA-N 1 0 224.329 1.492 50 0 BDAARO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COC ZINC000110611199 387477224 /nfs/dbraw/zinc/47/72/24/387477224.db2.gz ZQXZBHQSOXCHBC-NWDGAFQWSA-N 1 0 215.337 1.648 50 0 BDAARO COC(=O)[C@H](F)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000252487890 387487225 /nfs/dbraw/zinc/48/72/25/387487225.db2.gz IDKRJUFWKAAYKA-GHMZBOCLSA-N 1 0 229.295 1.786 50 0 BDAARO Cc1cc(C2=CC[NH2+]CC2)cnc1-n1cnnc1 ZINC000426598918 387582973 /nfs/dbraw/zinc/58/29/73/387582973.db2.gz PLAWICIGUAYWJC-UHFFFAOYSA-N 1 0 241.298 1.347 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1CCC2(C[NH2+]C2)C1 ZINC000306145424 387557143 /nfs/dbraw/zinc/55/71/43/387557143.db2.gz FAWHTXUMVSKNOY-SECBINFHSA-N 1 0 226.320 1.653 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1cccc2c1OCCO2 ZINC000036168205 387812657 /nfs/dbraw/zinc/81/26/57/387812657.db2.gz WCXPTVZOHIUYCN-LLVKDONJSA-N 1 0 237.299 1.318 50 0 BDAARO Cn1cncc1[C@@H]1[C@@H](CO)CCC[N@@H+]1C1CC1 ZINC000390822158 387840030 /nfs/dbraw/zinc/84/00/30/387840030.db2.gz NEXMBLHCCYTXQB-MFKMUULPSA-N 1 0 235.331 1.328 50 0 BDAARO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000032915028 387847635 /nfs/dbraw/zinc/84/76/35/387847635.db2.gz FBYZKXFNBXLZDN-IUCAKERBSA-N 1 0 214.309 1.652 50 0 BDAARO CC(C)(C)OC(=O)NC12CC(C[NH3+])(C1)C2 ZINC000238122504 387856877 /nfs/dbraw/zinc/85/68/77/387856877.db2.gz UFBJOKMOUWUJNE-UHFFFAOYSA-N 1 0 212.293 1.393 50 0 BDAARO COC[C@@H](O)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000070558936 387856915 /nfs/dbraw/zinc/85/69/15/387856915.db2.gz BKTGPACBUSIXSN-KOLCDFICSA-N 1 0 227.304 1.554 50 0 BDAARO C=CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000521396819 387926603 /nfs/dbraw/zinc/92/66/03/387926603.db2.gz MUYBHWSCSGQFBA-WDEREUQCSA-N 1 0 210.321 1.409 50 0 BDAARO C=CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000521396817 387927539 /nfs/dbraw/zinc/92/75/39/387927539.db2.gz MUYBHWSCSGQFBA-MNOVXSKESA-N 1 0 210.321 1.409 50 0 BDAARO Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1C ZINC000105472538 387987792 /nfs/dbraw/zinc/98/77/92/387987792.db2.gz ZEIYOFKOWAGBTA-OAHLLOKOSA-N 1 0 248.370 1.724 50 0 BDAARO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cn1 ZINC000042508998 388095905 /nfs/dbraw/zinc/09/59/05/388095905.db2.gz JUEBQXQSQLNUPP-LBPRGKRZSA-N 1 0 247.342 1.604 50 0 BDAARO CC/C=C(\C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000042506324 388096023 /nfs/dbraw/zinc/09/60/23/388096023.db2.gz BYWSGQIFCQSQOX-VNKGSWCUSA-N 1 0 224.348 1.943 50 0 BDAARO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000170612365 388257303 /nfs/dbraw/zinc/25/73/03/388257303.db2.gz IRTSYWORZNLDOB-HRDYMLBCSA-N 1 0 241.253 1.050 50 0 BDAARO Cn1ccnc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000065405142 388292187 /nfs/dbraw/zinc/29/21/87/388292187.db2.gz JYZBKHVPOGSLQZ-NSHDSACASA-N 1 0 235.331 1.421 50 0 BDAARO C[N@H+](CCCO)[C@H](CCO)c1ccccc1 ZINC000075899142 388364962 /nfs/dbraw/zinc/36/49/62/388364962.db2.gz JNKLQXSEZFINGI-CYBMUJFWSA-N 1 0 223.316 1.424 50 0 BDAARO C[NH+](C)CCNc1ncnc2sccc21 ZINC000003279448 388370701 /nfs/dbraw/zinc/37/07/01/388370701.db2.gz SLSYAQISNLPIKI-UHFFFAOYSA-N 1 0 222.317 1.665 50 0 BDAARO CSCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000089913371 388372666 /nfs/dbraw/zinc/37/26/66/388372666.db2.gz DAHKYQABXQSYMQ-UHFFFAOYSA-N 1 0 216.350 1.127 50 0 BDAARO CC[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000003314506 388373062 /nfs/dbraw/zinc/37/30/62/388373062.db2.gz CWDXTXNOEHVFCU-VXGBXAGGSA-N 1 0 209.289 1.081 50 0 BDAARO CCS[C@@H]1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC000076070684 388373825 /nfs/dbraw/zinc/37/38/25/388373825.db2.gz ARZZJJLKSVCRRZ-SDDRHHMPSA-N 1 0 247.404 1.600 50 0 BDAARO CC(C)[N@H+](CCN1CCOCC1)C[C@@H]1C[C@H]1C ZINC000089922124 388373886 /nfs/dbraw/zinc/37/38/86/388373886.db2.gz GLDLHQSNFMELBQ-KGLIPLIRSA-N 1 0 240.391 1.685 50 0 BDAARO C[C@H]1C[N@H+](C)CCN1Cc1ncc(Cl)n1C ZINC000089939316 388374704 /nfs/dbraw/zinc/37/47/04/388374704.db2.gz YRTVBZIGVTUPBD-VIFPVBQESA-N 1 0 242.754 1.209 50 0 BDAARO C[N@H+](CC(=O)NCc1cccs1)C1CCC1 ZINC000173920821 388375070 /nfs/dbraw/zinc/37/50/70/388375070.db2.gz RGVRBKPSCLKFTC-UHFFFAOYSA-N 1 0 238.356 1.849 50 0 BDAARO Cc1ccc(CNC2=[NH+]CCCN2)c(C)c1 ZINC000252500641 388376456 /nfs/dbraw/zinc/37/64/56/388376456.db2.gz SZQQJIOBHMXFOI-UHFFFAOYSA-N 1 0 217.316 1.742 50 0 BDAARO COC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C(C)C ZINC000090182125 388395651 /nfs/dbraw/zinc/39/56/51/388395651.db2.gz SJNIRGLWSDIWDS-ZYHUDNBSSA-N 1 0 240.347 1.010 50 0 BDAARO Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000041976936 388441456 /nfs/dbraw/zinc/44/14/56/388441456.db2.gz SYVCFXRUKZRXJH-UHFFFAOYSA-N 1 0 235.331 1.460 50 0 BDAARO C[NH+](C)C1(CNC(=O)[C@H]2CCCO2)CCCC1 ZINC000042762529 388445308 /nfs/dbraw/zinc/44/53/08/388445308.db2.gz FBONJEHGWFPZKO-LLVKDONJSA-N 1 0 240.347 1.156 50 0 BDAARO c1cnn(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)c1 ZINC000071875417 388447027 /nfs/dbraw/zinc/44/70/27/388447027.db2.gz YMUZQQRZFXONHJ-KBPBESRZSA-N 1 0 249.358 1.917 50 0 BDAARO Cc1cnn(CC[NH2+]CC2(O)CCCCC2)c1 ZINC000071876968 388447260 /nfs/dbraw/zinc/44/72/60/388447260.db2.gz KAHHHUMQCDEOAY-UHFFFAOYSA-N 1 0 237.347 1.476 50 0 BDAARO c1cnn(C[C@H]2C[N@H+](CC3CCCC3)CCO2)c1 ZINC000069483751 388417515 /nfs/dbraw/zinc/41/75/15/388417515.db2.gz XBCXCFFSXAHCIJ-CQSZACIVSA-N 1 0 249.358 1.774 50 0 BDAARO CC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000069515184 388418656 /nfs/dbraw/zinc/41/86/56/388418656.db2.gz PUPWWIZRDLOWCK-SECBINFHSA-N 1 0 242.344 1.347 50 0 BDAARO c1ccc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)nc1 ZINC000069582368 388421640 /nfs/dbraw/zinc/42/16/40/388421640.db2.gz AXGROJONSBEQSO-CQSZACIVSA-N 1 0 247.342 1.034 50 0 BDAARO CC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000040615331 388423137 /nfs/dbraw/zinc/42/31/37/388423137.db2.gz AYAKINYXWMFAMZ-CYBMUJFWSA-N 1 0 220.316 1.734 50 0 BDAARO Cc1ccc(CNC[C@@H](O)C[NH+](C)C)c(C)c1 ZINC000069708326 388424977 /nfs/dbraw/zinc/42/49/77/388424977.db2.gz QBZVFOUPBRKSIB-CQSZACIVSA-N 1 0 236.359 1.316 50 0 BDAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000069725026 388425322 /nfs/dbraw/zinc/42/53/22/388425322.db2.gz CCJYTKVPKZHXNW-HTQZYQBOSA-N 1 0 238.253 1.525 50 0 BDAARO CCOCC[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000069818274 388427284 /nfs/dbraw/zinc/42/72/84/388427284.db2.gz ZHIRUFWBUAXMGO-WDEREUQCSA-N 1 0 211.309 1.459 50 0 BDAARO Cc1ccc(C)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000041161870 388431570 /nfs/dbraw/zinc/43/15/70/388431570.db2.gz HNBJMFHIKAUXDR-LBPRGKRZSA-N 1 0 248.326 1.103 50 0 BDAARO CCCc1noc(-c2ccc(NN)[nH+]c2)n1 ZINC000070451564 388435866 /nfs/dbraw/zinc/43/58/66/388435866.db2.gz JEVGUTCYOOFGHF-UHFFFAOYSA-N 1 0 219.248 1.370 50 0 BDAARO CC[NH+](CC)CCN1CC[C@H](C)[C@@H](O)C1 ZINC000195555854 388483808 /nfs/dbraw/zinc/48/38/08/388483808.db2.gz AOHAWZLYDISOEL-RYUDHWBXSA-N 1 0 214.353 1.031 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@@H](CCO)C(C)C)o1 ZINC000195563995 388487509 /nfs/dbraw/zinc/48/75/09/388487509.db2.gz WGADTWHVHVKMRK-WPRPVWTQSA-N 1 0 227.308 1.436 50 0 BDAARO c1ccc2c(c1)nnn2OCC[NH+]1CCCCC1 ZINC000194370010 388488821 /nfs/dbraw/zinc/48/88/21/388488821.db2.gz CYZCUAWVBSNYSJ-UHFFFAOYSA-N 1 0 246.314 1.346 50 0 BDAARO CSC[C@@](C)(O)C[NH2+]C[C@@H]1CCSC1 ZINC000225610849 388594935 /nfs/dbraw/zinc/59/49/35/388594935.db2.gz AAUYLQJLSFCXAE-UWVGGRQHSA-N 1 0 235.418 1.443 50 0 BDAARO Cc1cc(C)c(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)o1 ZINC000237517579 388595817 /nfs/dbraw/zinc/59/58/17/388595817.db2.gz YFKPPSJVVDEMGF-ONGXEEELSA-N 1 0 236.315 1.848 50 0 BDAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCOc3ccccc32)C1 ZINC000107225548 388600954 /nfs/dbraw/zinc/60/09/54/388600954.db2.gz DFKBAINOVFULJR-ZYHUDNBSSA-N 1 0 246.310 1.112 50 0 BDAARO O=C(/C=C\c1ccccc1)N[C@@H]1CCC[NH2+]C1 ZINC000214317318 388567335 /nfs/dbraw/zinc/56/73/35/388567335.db2.gz YWVAXIKQOLNVAR-LJTDUEICSA-N 1 0 230.311 1.568 50 0 BDAARO Cc1cc(C)nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000108327576 388618870 /nfs/dbraw/zinc/61/88/70/388618870.db2.gz QZJIKDYYHZJSDZ-NWDGAFQWSA-N 1 0 234.347 1.622 50 0 BDAARO CCOC(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311001 388721867 /nfs/dbraw/zinc/72/18/67/388721867.db2.gz MCOUFMSJEJHYRP-LLVKDONJSA-N 1 0 241.331 1.441 50 0 BDAARO CCCCNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000095949742 388793743 /nfs/dbraw/zinc/79/37/43/388793743.db2.gz IOWLUPHBCPCGKV-UHFFFAOYSA-N 1 0 241.379 1.770 50 0 BDAARO CC(C)(O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000095349666 388763591 /nfs/dbraw/zinc/76/35/91/388763591.db2.gz YIZWGFOEOAERGZ-JTQLQIEISA-N 1 0 223.320 1.360 50 0 BDAARO C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CCCOC1 ZINC000095468517 388773964 /nfs/dbraw/zinc/77/39/64/388773964.db2.gz DMGVYWFEIWNYTB-CHWSQXEVSA-N 1 0 237.347 1.678 50 0 BDAARO CC(C)n1nnnc1CSCC[NH+](C)C ZINC000096485192 388820656 /nfs/dbraw/zinc/82/06/56/388820656.db2.gz SNKSNMGBLNKIMX-UHFFFAOYSA-N 1 0 229.353 1.049 50 0 BDAARO COC(=O)c1ccc(C[NH2+]CCN(C)C)cc1 ZINC000022162045 388826331 /nfs/dbraw/zinc/82/63/31/388826331.db2.gz WMXOJIRDURAZOB-UHFFFAOYSA-N 1 0 236.315 1.124 50 0 BDAARO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000097236867 388835036 /nfs/dbraw/zinc/83/50/36/388835036.db2.gz YBXPPECFUCGNBT-VHSXEESVSA-N 1 0 226.345 1.736 50 0 BDAARO CC(C)(C)SCC[N@H+](CCO)C1CC1 ZINC000225747883 388841976 /nfs/dbraw/zinc/84/19/76/388841976.db2.gz GCNXRBUFABZDBL-UHFFFAOYSA-N 1 0 217.378 1.975 50 0 BDAARO CC(C)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000004725569 388853937 /nfs/dbraw/zinc/85/39/37/388853937.db2.gz AJPXOYYDZHZVDS-UHFFFAOYSA-N 1 0 238.375 1.977 50 0 BDAARO c1ccc(N2CC[NH+](C3CCC3)CC2)nc1 ZINC000172068921 132290673 /nfs/dbraw/zinc/29/06/73/132290673.db2.gz NRDIARLQDUMAKW-UHFFFAOYSA-N 1 0 217.316 1.756 50 0 BDAARO Fc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000247563619 132303540 /nfs/dbraw/zinc/30/35/40/132303540.db2.gz ZNVQGXYIBFGWIT-NSHDSACASA-N 1 0 235.306 1.895 50 0 BDAARO [NH3+]CCCN1CCN(c2ccccc2)CC1 ZINC000001604123 132314295 /nfs/dbraw/zinc/31/42/95/132314295.db2.gz KNLCRNWJXCLJHQ-UHFFFAOYSA-N 1 0 219.332 1.157 50 0 in-vitro BDAARO O=C([C@@H]1CCC[NH2+]1)N1CCCc2ccccc21 ZINC000011754418 132320522 /nfs/dbraw/zinc/32/05/22/132320522.db2.gz KMPFQBBADVGIHR-LBPRGKRZSA-N 1 0 230.311 1.718 50 0 BDAARO CCO[C@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000049056242 132355468 /nfs/dbraw/zinc/35/54/68/132355468.db2.gz LEVWUPPKHWXWML-JTQLQIEISA-N 1 0 236.319 1.373 50 0 BDAARO CC(C)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000069872832 132391247 /nfs/dbraw/zinc/39/12/47/132391247.db2.gz QCUUXDABHCOUSZ-GFCCVEGCSA-N 1 0 234.347 1.691 50 0 BDAARO Cc1cc(N2CCCO[C@@H](CF)C2)cc[nH+]1 ZINC000334725294 133741306 /nfs/dbraw/zinc/74/13/06/133741306.db2.gz PBTXHRKYSVIQOF-LBPRGKRZSA-N 1 0 224.279 1.955 50 0 BDAARO OC[C@@]1(F)CCC[N@@H+](C2CCCC2)C1 ZINC000335959246 134024105 /nfs/dbraw/zinc/02/41/05/134024105.db2.gz YMZVSMKKKVNGOV-LLVKDONJSA-N 1 0 201.285 1.725 50 0 BDAARO Cc1cc(F)cc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000085731207 134521012 /nfs/dbraw/zinc/52/10/12/134521012.db2.gz WMOBKNUVZFWOJZ-VIFPVBQESA-N 1 0 222.263 1.682 50 0 BDAARO COCC[C@H](C)OC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525582 134809906 /nfs/dbraw/zinc/80/99/06/134809906.db2.gz FFTRIEHDSZEOHF-RYUDHWBXSA-N 1 0 245.363 1.966 50 0 BDAARO Cc1ccc2c(c1)CN(CC[NH3+])C[C@H](C)O2 ZINC000299788660 135207109 /nfs/dbraw/zinc/20/71/09/135207109.db2.gz ZCOGKPIFGOIKOX-NSHDSACASA-N 1 0 220.316 1.537 50 0 BDAARO COC[C@]1(C(=O)Nc2ccsc2)CC[NH2+]C1 ZINC000261587954 135228533 /nfs/dbraw/zinc/22/85/33/135228533.db2.gz RZXBBCGRQSLRLZ-NSHDSACASA-N 1 0 240.328 1.313 50 0 BDAARO CO[C@]1(C)C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1(C)C ZINC000261835631 135255969 /nfs/dbraw/zinc/25/59/69/135255969.db2.gz ZCYGXJQQPATVKV-GBIKHYSHSA-N 1 0 240.347 1.058 50 0 BDAARO C[N@@H+]1CC[C@@H](C(=O)Nc2cncc(F)c2)C1 ZINC000334425882 135396976 /nfs/dbraw/zinc/39/69/76/135396976.db2.gz XXLCYKFBZCMRPO-MRVPVSSYSA-N 1 0 223.251 1.111 50 0 BDAARO Nc1[nH]n(-c2ccccc2)c(=O)c1C1=[NH+]CCC1 ZINC000100930893 398025021 /nfs/dbraw/zinc/02/50/21/398025021.db2.gz JBJTWVKZXMRWBE-UHFFFAOYSA-N 1 0 242.282 1.331 50 0 BDAARO CC(C)[NH2+]CCN[C@H]1CCC[C@]1(C)CO ZINC000253393543 167107637 /nfs/dbraw/zinc/10/76/37/167107637.db2.gz HESKUXBLJCRNJM-NWDGAFQWSA-N 1 0 214.353 1.125 50 0 BDAARO NC(=O)[C@@H]1CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000585094162 487578182 /nfs/dbraw/zinc/57/81/82/487578182.db2.gz KMFAHTUJRDJUMF-WRWGMCAJSA-N 1 0 222.332 1.230 50 0 BDAARO CCC/C=C/C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000065508526 409993908 /nfs/dbraw/zinc/99/39/08/409993908.db2.gz SHDFUHDHFMUEPY-SNAWJCMRSA-N 1 0 236.359 1.945 50 0 BDAARO CC(C)c1nccn1CCC[NH2+][C@H](C)CO ZINC000065507995 409992363 /nfs/dbraw/zinc/99/23/63/409992363.db2.gz KYJTWOOVPHBJQB-LLVKDONJSA-N 1 0 225.336 1.367 50 0 BDAARO Cc1ccc(O)c(C[NH+]2CC(CF)C2)n1 ZINC000335248224 487612940 /nfs/dbraw/zinc/61/29/40/487612940.db2.gz KVNSADLDSUWINC-UHFFFAOYSA-N 1 0 210.252 1.497 50 0 BDAARO Brc1cccc(C[NH2+]C2COC2)c1 ZINC000071792161 166102055 /nfs/dbraw/zinc/10/20/55/166102055.db2.gz JAWOYLWYROVTQR-UHFFFAOYSA-N 1 0 242.116 1.938 50 0 BDAARO Brc1cnn(C2CC[NH2+]CC2)c1 ZINC000043501220 166106549 /nfs/dbraw/zinc/10/65/49/166106549.db2.gz CUYMHWHMYSOTHL-UHFFFAOYSA-N 1 0 230.109 1.570 50 0 in-vitro BDAARO C(NC1=[NH+]CCCN1)[C@H]1CCCCS1 ZINC000252485944 410466715 /nfs/dbraw/zinc/46/67/15/410466715.db2.gz HFPBNVNCPBEBGW-SECBINFHSA-N 1 0 213.350 1.211 50 0 BDAARO CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2[NH3+])C1 ZINC000076644076 166654995 /nfs/dbraw/zinc/65/49/95/166654995.db2.gz CWXFYOHHOPHYMT-KWQFWETISA-N 1 0 212.293 1.345 50 0 BDAARO CC[NH+](CC)CCNC(=O)C1CCCC1 ZINC000046464551 169778300 /nfs/dbraw/zinc/77/83/00/169778300.db2.gz WBPZUOSUSWZYOB-UHFFFAOYSA-N 1 0 212.337 1.635 50 0 BDAARO CC(C)[N@@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000000216897 167028654 /nfs/dbraw/zinc/02/86/54/167028654.db2.gz WTIZIGNDTJXLFO-UHFFFAOYSA-N 1 0 239.344 1.196 50 0 BDAARO CC(C)NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000000819685 167084212 /nfs/dbraw/zinc/08/42/12/167084212.db2.gz FSURAZIHRDGGRQ-GFCCVEGCSA-N 1 0 245.326 1.562 50 0 BDAARO CC(C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000005381271 167108446 /nfs/dbraw/zinc/10/84/46/167108446.db2.gz RUFYXZYDGVTZFQ-UHFFFAOYSA-N 1 0 207.273 1.956 50 0 BDAARO CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC2 ZINC000004263193 167110391 /nfs/dbraw/zinc/11/03/91/167110391.db2.gz IDLITJLASHOGPE-CQSZACIVSA-N 1 0 249.354 1.913 50 0 BDAARO CC(C)[NH2+][C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000240203823 167134924 /nfs/dbraw/zinc/13/49/24/167134924.db2.gz JTSZVAIXOFODKL-NQBHXWOUSA-N 1 0 220.316 1.892 50 0 BDAARO CC(C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000035224395 167138484 /nfs/dbraw/zinc/13/84/84/167138484.db2.gz NJRJEGISIOZWMV-SECBINFHSA-N 1 0 204.277 1.788 50 0 BDAARO CC(C)OCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136136354 167221221 /nfs/dbraw/zinc/22/12/21/167221221.db2.gz SCNSJKMMYVNCIQ-CYBMUJFWSA-N 1 0 242.363 1.450 50 0 BDAARO CC(C)OCCCNc1ncnc2c1cnn2C ZINC000009531948 167226678 /nfs/dbraw/zinc/22/66/78/167226678.db2.gz INTAXEWEEVRXCX-UHFFFAOYSA-N 1 0 249.318 1.590 50 0 BDAARO CC(C)OC[C@@H](O)C[N@H+](C)Cc1cccs1 ZINC000070186657 167258097 /nfs/dbraw/zinc/25/80/97/167258097.db2.gz QWTVIFNOISUKOO-NSHDSACASA-N 1 0 243.372 1.966 50 0 BDAARO CC(C)Oc1cccc(CN2CC[NH2+]CC2)c1 ZINC000033465251 167305569 /nfs/dbraw/zinc/30/55/69/167305569.db2.gz IXZFQSLXYKZHFS-UHFFFAOYSA-N 1 0 234.343 1.879 50 0 BDAARO CC(C)[C@@H](C)[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000014221055 167383491 /nfs/dbraw/zinc/38/34/91/167383491.db2.gz WOVSGMPFFGTZLR-SKDRFNHKSA-N 1 0 238.306 1.986 50 0 BDAARO CC(C)n1cc(NC(=O)c2ccccc2)[o+]n1 ZINC000022863544 167546445 /nfs/dbraw/zinc/54/64/45/167546445.db2.gz FFGGAXRNIDFSGS-UHFFFAOYSA-O 1 0 232.263 1.795 50 0 BDAARO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)C(C)(C)C(F)F ZINC000658033958 411208989 /nfs/dbraw/zinc/20/89/89/411208989.db2.gz JOOKQDYBXVAYMD-BDAKNGLRSA-N 1 0 248.317 1.782 50 0 BDAARO CC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000040473248 168176940 /nfs/dbraw/zinc/17/69/40/168176940.db2.gz SETOSGRMQUJRPN-CYBMUJFWSA-N 1 0 238.375 1.977 50 0 BDAARO CC[NH+]1CCN(C(=O)/C=C\c2ccc(C)o2)CC1 ZINC000032572668 169981557 /nfs/dbraw/zinc/98/15/57/169981557.db2.gz JDDDFGSICKRJDW-SREVYHEPSA-N 1 0 248.326 1.765 50 0 BDAARO CCNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000022215827 170068869 /nfs/dbraw/zinc/06/88/69/170068869.db2.gz MBTBZNHAURSRON-VIFPVBQESA-N 1 0 222.288 1.221 50 0 BDAARO CC[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000002624971 170121578 /nfs/dbraw/zinc/12/15/78/170121578.db2.gz OCOBXEYZTVBDFP-ZDUSSCGKSA-N 1 0 237.343 1.961 50 0 BDAARO CC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944751 170131624 /nfs/dbraw/zinc/13/16/24/170131624.db2.gz WNOGBSSRKHLFPG-UHFFFAOYSA-N 1 0 216.288 1.592 50 0 BDAARO CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000022028691 170151426 /nfs/dbraw/zinc/15/14/26/170151426.db2.gz ZSIUSRJKSLXIJH-CYBMUJFWSA-N 1 0 204.317 1.870 50 0 BDAARO CC[NH2+][C@@H]1Cc2cc3nc(N)sc3cc2C1 ZINC000043207082 170154421 /nfs/dbraw/zinc/15/44/21/170154421.db2.gz GTXFOEHPKNATLV-SECBINFHSA-N 1 0 233.340 1.955 50 0 BDAARO CCOC(=O)C[C@@](C)([NH3+])c1ccccc1 ZINC000072210265 170232569 /nfs/dbraw/zinc/23/25/69/170232569.db2.gz CNNLAZCZKGITBA-GFCCVEGCSA-N 1 0 207.273 1.814 50 0 BDAARO CCOC(=O)C[C@H]([NH3+])c1cccc(F)c1 ZINC000003678334 170234022 /nfs/dbraw/zinc/23/40/22/170234022.db2.gz JVIFBOSEONQBDW-JTQLQIEISA-N 1 0 211.236 1.779 50 0 BDAARO CCOC(=O)N[C@@H](C[NH3+])c1ccccc1 ZINC000019421124 170243201 /nfs/dbraw/zinc/24/32/01/170243201.db2.gz IRZUKXUUMGDAEZ-JTQLQIEISA-N 1 0 208.261 1.433 50 0 BDAARO CCOC(=O)[C@@H]([NH3+])C1CCC(F)(F)CC1 ZINC000095774672 170252553 /nfs/dbraw/zinc/25/25/53/170252553.db2.gz KQQNGTCKYDTLDL-QMMMGPOBSA-N 1 0 221.247 1.702 50 0 BDAARO CCOC(=O)[C@@H]1CC(C)(C)[N@@H+]2CCC[C@@H]12 ZINC000014987418 170257130 /nfs/dbraw/zinc/25/71/30/170257130.db2.gz KKHJUVUUBQTBMI-ZJUUUORDSA-N 1 0 211.305 1.812 50 0 BDAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000048580806 170258398 /nfs/dbraw/zinc/25/83/98/170258398.db2.gz GWYHGMXRVCSETJ-NEPJUHHUSA-N 1 0 241.331 1.441 50 0 BDAARO CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000026500782 170259436 /nfs/dbraw/zinc/25/94/36/170259436.db2.gz KKESSUGZTMZMJU-CHWSQXEVSA-N 1 0 233.311 1.943 50 0 BDAARO CCOC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000041362849 170267154 /nfs/dbraw/zinc/26/71/54/170267154.db2.gz PFPWKIBAQQJFLR-AXFHLTTASA-N 1 0 213.321 1.916 50 0 BDAARO CCOC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000050975529 170286643 /nfs/dbraw/zinc/28/66/43/170286643.db2.gz AWCXGWTZRFCSEY-AWEZNQCLSA-N 1 0 249.310 1.187 50 0 BDAARO CCOC(=O)c1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000042775534 170299948 /nfs/dbraw/zinc/29/99/48/170299948.db2.gz UGSIMJKUAKGRSA-SNVBAGLBSA-N 1 0 235.283 1.604 50 0 BDAARO CCOC(CN1CCC[C@H]1C(=O)OC)OCC ZINC000160303345 170314680 /nfs/dbraw/zinc/31/46/80/170314680.db2.gz DPQQCDVGAUZPIN-JTQLQIEISA-N 1 0 245.319 1.023 50 0 BDAARO CCOC(CN1CC[N@H+](C)CC1(C)C)OCC ZINC000097161684 170314977 /nfs/dbraw/zinc/31/49/77/170314977.db2.gz GXYUGRSEBUIRQD-UHFFFAOYSA-N 1 0 244.379 1.412 50 0 BDAARO CCOC(C[NH2+]Cc1ccncc1)OCC ZINC000071782803 170316223 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/nfs/dbraw/zinc/00/20/95/173002095.db2.gz RHEODVSQNPFCJQ-UHFFFAOYSA-N 1 0 244.136 1.912 50 0 BDAARO C[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000006741736 173014667 /nfs/dbraw/zinc/01/46/67/173014667.db2.gz YHOZBJQRGJOBIC-UHFFFAOYSA-N 1 0 236.290 1.603 50 0 BDAARO C[N@@H+]1CCC[C@H](OC(=O)COc2ccccc2)C1 ZINC000000552061 173045953 /nfs/dbraw/zinc/04/59/53/173045953.db2.gz HLNJHBULKUZMGT-ZDUSSCGKSA-N 1 0 249.310 1.703 50 0 BDAARO C[NH+]1CCN(Cc2cc(F)ccc2N)CC1 ZINC000035308368 173086249 /nfs/dbraw/zinc/08/62/49/173086249.db2.gz GPYNKPRVIIMGJK-UHFFFAOYSA-N 1 0 223.295 1.155 50 0 BDAARO CN1CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000019637067 173093460 /nfs/dbraw/zinc/09/34/60/173093460.db2.gz PRMGEWMBNKDHKA-OAHLLOKOSA-N 1 0 230.355 1.791 50 0 BDAARO C[NH+]1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000057582474 173095022 /nfs/dbraw/zinc/09/50/22/173095022.db2.gz LIDFZJSMIUQYTK-UHFFFAOYSA-N 1 0 248.355 1.630 50 0 BDAARO CNC(=O)C12CC(C1)C[N@@H+]2Cc1ccccc1 ZINC000097125038 173222294 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YFCHXHGAGKJSAC-LBPRGKRZSA-N 1 0 234.343 1.509 50 0 BDAARO C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C)c1 ZINC000122617791 173380326 /nfs/dbraw/zinc/38/03/26/173380326.db2.gz RMILOXNNWHVXHL-CYBMUJFWSA-N 1 0 232.327 1.819 50 0 BDAARO C[NH2+]Cc1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000004843320 173394837 /nfs/dbraw/zinc/39/48/37/173394837.db2.gz YAYOUXSRNGHLKN-UHFFFAOYSA-N 1 0 249.270 1.473 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000012955200 173461468 /nfs/dbraw/zinc/46/14/68/173461468.db2.gz XRRRUOWSHGFPTI-VIFPVBQESA-N 1 0 214.309 1.605 50 0 BDAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000008699272 173823197 /nfs/dbraw/zinc/82/31/97/173823197.db2.gz REBCUOWHHZXWGJ-MNOVXSKESA-N 1 0 223.247 1.302 50 0 BDAARO COC(=O)c1cccc(OC2CC[NH2+]CC2)c1 ZINC000014631913 173896617 /nfs/dbraw/zinc/89/66/17/173896617.db2.gz OKHSHQXAQFJHBO-UHFFFAOYSA-N 1 0 235.283 1.604 50 0 BDAARO COCCCCC[NH2+][C@H](C)[C@H](C)CO ZINC000095941352 174184440 /nfs/dbraw/zinc/18/44/40/174184440.db2.gz YDTLSCPIBFAYMI-GHMZBOCLSA-N 1 0 203.326 1.410 50 0 BDAARO COCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000071797206 174231457 /nfs/dbraw/zinc/23/14/57/174231457.db2.gz UBHSDSOFJBQALF-GFCCVEGCSA-N 1 0 223.320 1.594 50 0 BDAARO COCCCNC(=O)[C@H](C)[NH2+]C1CCCCC1 ZINC000034938497 174244185 /nfs/dbraw/zinc/24/41/85/174244185.db2.gz KKLXZCQWUHFYDZ-NSHDSACASA-N 1 0 242.363 1.450 50 0 BDAARO COCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000069563204 174307905 /nfs/dbraw/zinc/30/79/05/174307905.db2.gz ISTQNAXFSPFMMG-AWEZNQCLSA-N 1 0 240.391 1.973 50 0 BDAARO COCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000053421655 174310639 /nfs/dbraw/zinc/31/06/39/174310639.db2.gz CVYVCWBCVVRZQZ-UHFFFAOYSA-N 1 0 240.372 1.512 50 0 BDAARO COCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000230025990 174316301 /nfs/dbraw/zinc/31/63/01/174316301.db2.gz AHGSGJBYLULRAA-UTUOFQBUSA-N 1 0 213.321 1.258 50 0 BDAARO COCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037186403 174334238 /nfs/dbraw/zinc/33/42/38/174334238.db2.gz CVDKQTUIBVDCIM-UHFFFAOYSA-N 1 0 235.287 1.714 50 0 BDAARO COCC[NH2+]Cc1cc(=O)[nH]c2ccccc12 ZINC000009487277 174336098 /nfs/dbraw/zinc/33/60/98/174336098.db2.gz ODUKLTCGRKESLD-UHFFFAOYSA-N 1 0 232.283 1.676 50 0 BDAARO COCCO[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000194739958 174366666 /nfs/dbraw/zinc/36/66/66/174366666.db2.gz DLEOGHKETMJCHM-LBPRGKRZSA-N 1 0 213.321 1.666 50 0 BDAARO COC[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000241287452 174599528 /nfs/dbraw/zinc/59/95/28/174599528.db2.gz LLJQEETWRSFNIQ-QKCSRTOESA-N 1 0 235.327 1.517 50 0 BDAARO COc1ccc(Br)cc1[C@@H]([NH3+])CO ZINC000038124703 175051263 /nfs/dbraw/zinc/05/12/63/175051263.db2.gz JIIQSZURHGJXTF-QMMMGPOBSA-N 1 0 246.104 1.450 50 0 BDAARO COc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000019385164 175062134 /nfs/dbraw/zinc/06/21/34/175062134.db2.gz XUSXYFMKXBSPIR-LLVKDONJSA-N 1 0 234.299 1.177 50 0 BDAARO COc1ccc(C(=O)[C@H](C)[NH3+])cc1OC ZINC000053194844 175065974 /nfs/dbraw/zinc/06/59/74/175065974.db2.gz WCTWVUARVFTBTD-ZETCQYMHSA-N 1 0 209.245 1.234 50 0 in-vitro BDAARO COc1ccc(C(C)(C)CNC(N)=[NH2+])cc1 ZINC000095946999 175067496 /nfs/dbraw/zinc/06/74/96/175067496.db2.gz GULKIQWLCNVDKC-UHFFFAOYSA-N 1 0 221.304 1.456 50 0 BDAARO COc1ccc(CC[NH3+])c(OC)c1OC ZINC000001688170 175090854 /nfs/dbraw/zinc/09/08/54/175090854.db2.gz PVLFQRLVSMMSQK-UHFFFAOYSA-N 1 0 211.261 1.214 50 0 BDAARO COc1ccc(N[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000170604065 175155335 /nfs/dbraw/zinc/15/53/35/175155335.db2.gz HNWIKAZDULCWRD-PWSUYJOCSA-N 1 0 235.331 1.842 50 0 BDAARO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH3+])C3 ZINC000074210293 175201974 /nfs/dbraw/zinc/20/19/74/175201974.db2.gz CDQWCODTCBODIH-SSDOTTSWSA-N 1 0 202.257 1.602 50 0 BDAARO COc1ccc2ccccc2c1C[NH2+]CCO ZINC000004695069 175226440 /nfs/dbraw/zinc/22/64/40/175226440.db2.gz JGZPWDAUIBQIOU-UHFFFAOYSA-N 1 0 231.295 1.930 50 0 BDAARO COc1cccc(C(=O)NCCC[NH+](C)C)c1 ZINC000004838799 175244099 /nfs/dbraw/zinc/24/40/99/175244099.db2.gz KLPYTQCAMGXQKM-UHFFFAOYSA-N 1 0 236.315 1.377 50 0 BDAARO COc1cccc(CN2CCC[N@H+](C)CC2)c1 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641851814 /nfs/dbraw/zinc/85/18/14/641851814.db2.gz SITFHXJFFRQTFF-VHSXEESVSA-N 1 0 247.302 1.055 50 0 BDAARO O[C@@H]1CCCC[C@H]1[NH+]1CCSCC1 ZINC000037693672 642434284 /nfs/dbraw/zinc/43/42/84/642434284.db2.gz RFNFOMXRJQQRMJ-NXEZZACHSA-N 1 0 201.335 1.339 50 0 BDAARO Cc1ccnc(OC[C@H]2CCC[N@H+]2C)c1 ZINC000113813170 642918991 /nfs/dbraw/zinc/91/89/91/642918991.db2.gz ICJGCDWEYSGPPQ-LLVKDONJSA-N 1 0 206.289 1.863 50 0 BDAARO CN(C)c1ccc(CCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000020455768 643063927 /nfs/dbraw/zinc/06/39/27/643063927.db2.gz KAEBKXQOCVGTFN-OAHLLOKOSA-N 1 0 248.370 1.752 50 0 BDAARO c1ccc([C@@H]2NCC[N@@H+]3CCC[C@H]23)cc1 ZINC000023549859 643143214 /nfs/dbraw/zinc/14/32/14/643143214.db2.gz WLVJVWZEFAATBB-OLZOCXBDSA-N 1 0 202.301 1.795 50 0 BDAARO CCCCN1C(=O)CC[C@H]1CC[NH2+]CCOC ZINC000011783353 643834631 /nfs/dbraw/zinc/83/46/31/643834631.db2.gz KVGSYFSJCGEXHP-LBPRGKRZSA-N 1 0 242.363 1.404 50 0 BDAARO CCC[N@@H+]1CCC[C@@H](Nc2ccncc2F)C1 ZINC000952974559 644446243 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/nfs/dbraw/zinc/90/91/51/971909151.db2.gz HTASHTIZTSINGB-LLVKDONJSA-N 1 0 230.352 1.042 50 0 BDAARO C[N@H+](CCCO)C[C@H]1CN=C(c2ccccc2)O1 ZINC000585115932 972145873 /nfs/dbraw/zinc/14/58/73/972145873.db2.gz AHYGJXCMMBJUER-CYBMUJFWSA-N 1 0 248.326 1.146 50 0 BDAARO COc1ccc([C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC000082940583 964817154 /nfs/dbraw/zinc/81/71/54/964817154.db2.gz NQXYVDTXOJUWOR-VXGBXAGGSA-N 1 0 207.273 1.133 50 0 BDAARO CNC(=O)CCC(C)(C)[NH2+]C1CCOCC1 ZINC000823819899 968560084 /nfs/dbraw/zinc/56/00/84/968560084.db2.gz WRVFIEZMYKSLOC-UHFFFAOYSA-N 1 0 228.336 1.060 50 0 BDAARO CN(Cc1cscn1)c1cc[nH+]c(CO)c1 ZINC000042867585 973087625 /nfs/dbraw/zinc/08/76/25/973087625.db2.gz LKKIYCMQNLWDPK-UHFFFAOYSA-N 1 0 235.312 1.667 50 0 BDAARO Cc1nccnc1OC1CC[NH+](C)CC1 ZINC000585651973 973917770 /nfs/dbraw/zinc/91/77/70/973917770.db2.gz TWRVWNQNIFTZPX-UHFFFAOYSA-N 1 0 207.277 1.258 50 0 BDAARO Cc1cccc(OC[C@@H]2CCC[N@H+]2C)n1 ZINC000585654988 973923568 /nfs/dbraw/zinc/92/35/68/973923568.db2.gz PTASINNGVRIFTI-NSHDSACASA-N 1 0 206.289 1.863 50 0 BDAARO Cc1cc(N2CC[C@@]3(CCC[N@H+]3C)C2)ncn1 ZINC000952882623 974059962 /nfs/dbraw/zinc/05/99/62/974059962.db2.gz NNJVHWYWRKOGCX-ZDUSSCGKSA-N 1 0 232.331 1.460 50 0 BDAARO [NH3+][C@H](CO)c1ccccc1C(F)(F)F ZINC000037987663 346809156 /nfs/dbraw/zinc/80/91/56/346809156.db2.gz OIRSHTSIVLNGMS-MRVPVSSYSA-N 1 0 205.179 1.698 50 0 BDAARO Cc1cc(C[NH2+][C@@H]2COc3ccccc3C2)[nH]n1 ZINC000020203239 178034762 /nfs/dbraw/zinc/03/47/62/178034762.db2.gz YCIWITWBSUHYOF-ZDUSSCGKSA-N 1 0 243.310 1.811 50 0 BDAARO CCOc1ccc(C[NH2+]CCc2nnc[nH]2)cc1 ZINC000080601750 398182266 /nfs/dbraw/zinc/18/22/66/398182266.db2.gz NVGTXVBVGGJJMO-UHFFFAOYSA-N 1 0 246.314 1.536 50 0 BDAARO Cc1cc(Cl)cc(C)c1C[NH2+]CCC(N)=O ZINC000096494751 178063647 /nfs/dbraw/zinc/06/36/47/178063647.db2.gz CDWFAGVWSWIMJV-UHFFFAOYSA-N 1 0 240.734 1.922 50 0 BDAARO Cc1cc(N2CCC[C@@H](C)CC2)nc(N)[nH+]1 ZINC000071842030 178114885 /nfs/dbraw/zinc/11/48/85/178114885.db2.gz FSCHBCONUGSMIV-SECBINFHSA-N 1 0 220.320 1.994 50 0 BDAARO Cc1cc(N(C)C)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019686534 178096063 /nfs/dbraw/zinc/09/60/63/178096063.db2.gz QTXIWIVQISSVNQ-JTQLQIEISA-N 1 0 220.320 1.318 50 0 BDAARO Cc1cc(N(C)C)nc(NCCn2cccn2)[nH+]1 ZINC000070038378 178096839 /nfs/dbraw/zinc/09/68/39/178096839.db2.gz CNGCBMFBGVIAKF-UHFFFAOYSA-N 1 0 246.318 1.160 50 0 BDAARO Cc1cc(NCC[NH3+])nc2ccccc12 ZINC000022863675 178161053 /nfs/dbraw/zinc/16/10/53/178161053.db2.gz JVPDKSSMRDYHSG-UHFFFAOYSA-N 1 0 201.273 1.914 50 0 BDAARO Cc1cc(OCC[NH2+]CCO)cc(C)c1Cl ZINC000002932066 178210653 /nfs/dbraw/zinc/21/06/53/178210653.db2.gz IZQWEMQVQGNPDR-UHFFFAOYSA-N 1 0 243.734 1.918 50 0 BDAARO CCC(CC)C[NH2+]C[C@@](C)(O)c1cnn(C)c1 ZINC000095434043 168361438 /nfs/dbraw/zinc/36/14/38/168361438.db2.gz UDFGSJYKIRLPJN-CYBMUJFWSA-N 1 0 239.363 1.653 50 0 BDAARO Cc1cc2oc(=O)cc(C[NH3+])c2cc1O ZINC000045919561 178306552 /nfs/dbraw/zinc/30/65/52/178306552.db2.gz ADOCSLHKOFDVHN-UHFFFAOYSA-N 1 0 205.213 1.266 50 0 BDAARO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH3+])cc1C ZINC000104311182 178389197 /nfs/dbraw/zinc/38/91/97/178389197.db2.gz YPWGEEDIUWTURE-CYBMUJFWSA-N 1 0 232.327 1.867 50 0 BDAARO Cc1ccc(C(=O)CN2CC[NH2+]CC2)cc1C ZINC000019673208 178373337 /nfs/dbraw/zinc/37/33/37/178373337.db2.gz VBYMJACGYPIFJE-UHFFFAOYSA-N 1 0 232.327 1.391 50 0 BDAARO O=C(c1ccco1)N1CC[NH+](C2CCCC2)CC1 ZINC000000115855 342674947 /nfs/dbraw/zinc/67/49/47/342674947.db2.gz ZUEMCMNUXHUGTE-UHFFFAOYSA-N 1 0 248.326 1.980 50 0 BDAARO CC(C)[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000000115771 342675158 /nfs/dbraw/zinc/67/51/58/342675158.db2.gz AZEPXDCTEPCQBU-UHFFFAOYSA-N 1 0 232.327 1.853 50 0 BDAARO COC(=O)N=c1[nH]cc(C[NH+]2CCCC2)s1 ZINC000000116971 342675364 /nfs/dbraw/zinc/67/53/64/342675364.db2.gz YIEZAYOQZAMHQR-UHFFFAOYSA-N 1 0 241.316 1.917 50 0 BDAARO C[N@@H+]1CC[C@H]2C(=O)c3ccccc3[C@H]2C1 ZINC000000397892 342686420 /nfs/dbraw/zinc/68/64/20/342686420.db2.gz DEWPKQVFBAGMSI-VXGBXAGGSA-N 1 0 201.269 1.918 50 0 BDAARO Nc1c2ccccc2[nH]c(=O)c1-[n+]1ccccc1 ZINC000000408357 342686988 /nfs/dbraw/zinc/68/69/88/342686988.db2.gz GHHIJTOQXXJWII-UHFFFAOYSA-O 1 0 238.270 1.387 50 0 BDAARO O[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000036141593 538958935 /nfs/dbraw/zinc/95/89/35/538958935.db2.gz GMLFJRPDEDTWNR-ZYHUDNBSSA-N 1 0 205.257 1.235 50 0 BDAARO COC(=O)[C@@H]1CC[NH2+][C@@H]1c1ccccc1C ZINC000004343334 342746904 /nfs/dbraw/zinc/74/69/04/342746904.db2.gz GALNQGTTYINFJS-VXGBXAGGSA-N 1 0 219.284 1.819 50 0 BDAARO CC[C@@H](OC[C@H](O)C[NH3+])c1ccccc1 ZINC000002454838 342720848 /nfs/dbraw/zinc/72/08/48/342720848.db2.gz DVMKGKGMWDJEAY-VXGBXAGGSA-N 1 0 209.289 1.474 50 0 BDAARO COc1cc(NC(=O)C[NH3+])cc2ccccc21 ZINC000002575105 342725170 /nfs/dbraw/zinc/72/51/70/342725170.db2.gz MQWIXZOJKYYWRZ-UHFFFAOYSA-N 1 0 230.267 1.746 50 0 BDAARO Cc1ccc(Cl)c(OCC[NH2+]CCO)c1 ZINC000002933074 342728344 /nfs/dbraw/zinc/72/83/44/342728344.db2.gz SXJZVNJCCKGRTK-UHFFFAOYSA-N 1 0 229.707 1.609 50 0 BDAARO Fc1ccc(OCc2cn(C3C[NH2+]C3)nn2)cc1 ZINC000253410900 398280354 /nfs/dbraw/zinc/28/03/54/398280354.db2.gz NXJMSZYNTSDJKW-UHFFFAOYSA-N 1 0 248.261 1.141 50 0 BDAARO Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000094914133 178431627 /nfs/dbraw/zinc/43/16/27/178431627.db2.gz UUMVJMNTUQHVEJ-JTQLQIEISA-N 1 0 236.290 1.616 50 0 BDAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH3+])C1 ZINC000003880901 342738647 /nfs/dbraw/zinc/73/86/47/342738647.db2.gz AKQXKEBCONUWCL-QMMMGPOBSA-N 1 0 200.282 1.345 50 0 BDAARO CC[NH+](CC)CCCSc1n[nH]c(C)n1 ZINC000170619152 361889592 /nfs/dbraw/zinc/88/95/92/361889592.db2.gz QJMOLOSSFOOAEN-UHFFFAOYSA-N 1 0 228.365 1.937 50 0 BDAARO COC(=O)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000008700051 342802622 /nfs/dbraw/zinc/80/26/22/342802622.db2.gz HJYDTRNWYSGYKS-VXGBXAGGSA-N 1 0 219.284 1.900 50 0 BDAARO OCCOCC[NH2+]Cc1c(F)cccc1Cl ZINC000006888624 342785713 /nfs/dbraw/zinc/78/57/13/342785713.db2.gz YDTIOEXPFHTIOE-UHFFFAOYSA-N 1 0 247.697 1.578 50 0 BDAARO CC(C)(C)C(=O)NCCCn1ccnc1 ZINC000002772218 342793279 /nfs/dbraw/zinc/79/32/79/342793279.db2.gz NCQJZZZAIUUMLM-UHFFFAOYSA-N 1 0 209.293 1.436 50 0 BDAARO CC(C)CN1C(=O)CC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000126739670 398285984 /nfs/dbraw/zinc/28/59/84/398285984.db2.gz AJWMIRFFQJUESS-MNOVXSKESA-N 1 0 210.321 1.243 50 0 BDAARO CCc1ccc(C(=O)NC2CC[NH+](C)CC2)o1 ZINC000040520919 538971815 /nfs/dbraw/zinc/97/18/15/538971815.db2.gz MFYJQGSUGZFSON-UHFFFAOYSA-N 1 0 236.315 1.666 50 0 BDAARO COc1cc(C[NH2+]CCO)cc(Cl)c1OC ZINC000008469865 342799522 /nfs/dbraw/zinc/79/95/22/342799522.db2.gz GSABITZJFMZIKN-UHFFFAOYSA-N 1 0 245.706 1.439 50 0 BDAARO Cc1ccc([C@H]([NH3+])c2nccn2C)cc1 ZINC000011735132 342843073 /nfs/dbraw/zinc/84/30/73/342843073.db2.gz KQMDMLZPBYMHAV-NSHDSACASA-N 1 0 201.273 1.777 50 0 BDAARO CC(C)(C)OC(=O)NCC1CC[NH2+]CC1 ZINC000012651150 342855929 /nfs/dbraw/zinc/85/59/29/342855929.db2.gz VHYXAWLOJGIJPC-UHFFFAOYSA-N 1 0 214.309 1.511 50 0 BDAARO CC(C)(C)C(=O)NCC[NH+]1CCCCC1 ZINC000032578359 342852734 /nfs/dbraw/zinc/85/27/34/342852734.db2.gz LNDOZVBXZUPHEQ-UHFFFAOYSA-N 1 0 212.337 1.635 50 0 BDAARO COc1cc(C[NH3+])ccc1OCC[NH+](C)C ZINC000011886905 342843937 /nfs/dbraw/zinc/84/39/37/342843937.db2.gz NVNKSCOESHKPSQ-UHFFFAOYSA-N 1 0 224.304 1.094 50 0 BDAARO COC(=O)C[C@@H]([NH3+])c1cccc(C)c1C ZINC000013943605 342874503 /nfs/dbraw/zinc/87/45/03/342874503.db2.gz IHDUVJKGWOQEDO-LLVKDONJSA-N 1 0 207.273 1.866 50 0 BDAARO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(F)c1 ZINC000092951062 398313144 /nfs/dbraw/zinc/31/31/44/398313144.db2.gz FBEXUKMMSDFHSO-JOYOIKCWSA-N 1 0 236.290 1.440 50 0 BDAARO CC1(C)C[NH2+][C@H](C(N)=O)c2ccccc21 ZINC000218777976 346881209 /nfs/dbraw/zinc/88/12/09/346881209.db2.gz RKUZFANOZKBWTM-JTQLQIEISA-N 1 0 204.273 1.094 50 0 BDAARO Cc1ccc(C)c(OCC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000237648371 398336844 /nfs/dbraw/zinc/33/68/44/398336844.db2.gz BAFVYJNMCAPJOW-LBPRGKRZSA-N 1 0 248.326 1.242 50 0 BDAARO CC(=O)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000019228823 342944114 /nfs/dbraw/zinc/94/41/14/342944114.db2.gz CUBJWUIMKZQYKM-LBPRGKRZSA-N 1 0 210.321 1.341 50 0 BDAARO CC[NH+](CC)CCOc1cc(N)ccc1OC ZINC000019260899 342944641 /nfs/dbraw/zinc/94/46/41/342944641.db2.gz ZMJOPFJGFAZEDG-UHFFFAOYSA-N 1 0 238.331 1.998 50 0 BDAARO Cc1cc(C(=O)NC2CC[NH2+]CC2)c(C)o1 ZINC000019257404 342944700 /nfs/dbraw/zinc/94/47/00/342944700.db2.gz SBYUTWUXYVWSST-UHFFFAOYSA-N 1 0 222.288 1.378 50 0 BDAARO C[C@]([NH3+])(C(=O)Nc1cc(F)ccc1O)C1CC1 ZINC000095996169 398345158 /nfs/dbraw/zinc/34/51/58/398345158.db2.gz OXBPBYBFYDBRIR-GFCCVEGCSA-N 1 0 238.262 1.597 50 0 BDAARO CCOc1ccccc1CN1CC[NH+](C)CC1 ZINC000019537567 342951478 /nfs/dbraw/zinc/95/14/78/342951478.db2.gz DLEBZFMYMCTZIA-UHFFFAOYSA-N 1 0 234.343 1.833 50 0 BDAARO COc1ccc(CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000019392861 342947447 /nfs/dbraw/zinc/94/74/47/342947447.db2.gz QFJIUCXUPAPWCH-UHFFFAOYSA-N 1 0 248.326 1.060 50 0 BDAARO CC1(C)CN2CC[NH2+]C[C@H]2c2ccccc21 ZINC000019789151 342957896 /nfs/dbraw/zinc/95/78/96/342957896.db2.gz SABHPMOMOJRGIF-ZDUSSCGKSA-N 1 0 216.328 1.924 50 0 BDAARO COC(=O)[C@@H](C[NH3+])Cc1ccc(C)cc1 ZINC000020579344 342991868 /nfs/dbraw/zinc/99/18/68/342991868.db2.gz VPUKVVPIACLWAQ-LLVKDONJSA-N 1 0 207.273 1.285 50 0 BDAARO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000021299494 343009318 /nfs/dbraw/zinc/00/93/18/343009318.db2.gz UTQYTJHYWCCQIJ-JTQLQIEISA-N 1 0 228.336 1.995 50 0 BDAARO CN(C)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022165276 343042823 /nfs/dbraw/zinc/04/28/23/343042823.db2.gz AULCFBIWGKOTRZ-JTQLQIEISA-N 1 0 200.232 1.526 50 0 BDAARO CC[NH+]1CCN(Cc2cccs2)CC1 ZINC000022454252 343049215 /nfs/dbraw/zinc/04/92/15/343049215.db2.gz LUYLZTVDVDOJEO-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO N[C@H](c1ccccn1)[C@H]([NH3+])c1ccccn1 ZINC000022583216 343051781 /nfs/dbraw/zinc/05/17/81/343051781.db2.gz KXJOBYBKMFVPFJ-VXGBXAGGSA-N 1 0 214.272 1.176 50 0 BDAARO Fc1ccc(F)c(CN2CC[NH2+]CC2)c1 ZINC000022913499 343056542 /nfs/dbraw/zinc/05/65/42/343056542.db2.gz VTKXPESKKMTHJP-UHFFFAOYSA-N 1 0 212.243 1.370 50 0 BDAARO O=C(CC[NH+]1CCC(O)CC1)Nc1ccccc1 ZINC000022199057 343043984 /nfs/dbraw/zinc/04/39/84/343043984.db2.gz PNWTZAXYOLQXJM-UHFFFAOYSA-N 1 0 248.326 1.472 50 0 BDAARO c1cc(C2CCOCC2)nc(C2CC[NH2+]CC2)n1 ZINC000259133709 343077009 /nfs/dbraw/zinc/07/70/09/343077009.db2.gz QKPJSAQXTBRJCH-UHFFFAOYSA-N 1 0 247.342 1.838 50 0 BDAARO CC[C@@H](C(=O)Nc1cc(C)on1)N1CCCC1 ZINC000027270995 343114046 /nfs/dbraw/zinc/11/40/46/343114046.db2.gz NDQUVZWZTFSHBK-JTQLQIEISA-N 1 0 237.303 1.796 50 0 BDAARO C[C@H]1CC[C@H]([NH2+]CCN2CCOCC2)C1 ZINC000022455229 343140395 /nfs/dbraw/zinc/14/03/95/343140395.db2.gz HAFDVCGIMRQIPE-RYUDHWBXSA-N 1 0 212.337 1.097 50 0 BDAARO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NC1CC1 ZINC000150688110 136273520 /nfs/dbraw/zinc/27/35/20/136273520.db2.gz AEUXIDISODZGBX-MNOVXSKESA-N 1 0 210.321 1.563 50 0 BDAARO CCOc1ccc2c(c1)N1CC[NH+]=C1N2C ZINC000030822785 343208280 /nfs/dbraw/zinc/20/82/80/343208280.db2.gz ORMLCHPEUWPGJE-UHFFFAOYSA-N 1 0 217.272 1.711 50 0 BDAARO CC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000034994950 343282861 /nfs/dbraw/zinc/28/28/61/343282861.db2.gz BJYDOPDMTQGBII-UHFFFAOYSA-N 1 0 210.321 1.530 50 0 BDAARO C[C@@]12C[C@@H](O)CC[N@@H+]1CCc1ccccc12 ZINC000033749673 343260399 /nfs/dbraw/zinc/26/03/99/343260399.db2.gz OJOJONSLWNYEQZ-JSGCOSHPSA-N 1 0 217.312 1.915 50 0 BDAARO CC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000022027538 343272102 /nfs/dbraw/zinc/27/21/02/343272102.db2.gz NMDPOSXHPQQJFB-UHFFFAOYSA-N 1 0 210.346 1.886 50 0 BDAARO c1cn(-c2ccccc2C[NH2+][C@H]2CCOC2)cn1 ZINC000088688230 343276265 /nfs/dbraw/zinc/27/62/65/343276265.db2.gz XFDLOLSRHSYISQ-ZDUSSCGKSA-N 1 0 243.310 1.751 50 0 BDAARO CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000034651176 343276676 /nfs/dbraw/zinc/27/66/76/343276676.db2.gz DMJXRYSGXCLCFP-LBPRGKRZSA-N 1 0 232.327 1.616 50 0 in-vitro BDAARO COc1cc(Cl)ccc1N1CC[NH2+]CC1 ZINC000034751398 343278364 /nfs/dbraw/zinc/27/83/64/343278364.db2.gz YSEWXFSLNGJJAO-UHFFFAOYSA-N 1 0 226.707 1.758 50 0 BDAARO Cn1ccnc1C[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1 ZINC000071760477 343318601 /nfs/dbraw/zinc/31/86/01/343318601.db2.gz IEOKCXSHFQZSLI-MPZDIEGVSA-N 1 0 231.343 1.898 50 0 BDAARO CC(C)[C@H]([NH3+])c1ccc2[nH]c(=O)oc2c1 ZINC000036892088 343326615 /nfs/dbraw/zinc/32/66/15/343326615.db2.gz BDMUXSVRPSRJCU-JTQLQIEISA-N 1 0 206.245 1.777 50 0 BDAARO FC(F)Oc1cccc([C@@H]2C[NH2+]CCO2)c1 ZINC000036965117 343328797 /nfs/dbraw/zinc/32/87/97/343328797.db2.gz SNOOHUIZKCHLMR-JTQLQIEISA-N 1 0 229.226 1.949 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000037022730 343331312 /nfs/dbraw/zinc/33/13/12/343331312.db2.gz NCJWFUVOHXYXCM-GHMZBOCLSA-N 1 0 210.321 1.530 50 0 BDAARO Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000035663375 343302021 /nfs/dbraw/zinc/30/20/21/343302021.db2.gz UZKAUYQJRVDEAV-UHFFFAOYSA-N 1 0 233.315 1.094 50 0 BDAARO C[C@@]([NH3+])(CO)c1cccc(C(F)(F)F)c1 ZINC000038124553 343371875 /nfs/dbraw/zinc/37/18/75/343371875.db2.gz PSTGWKXZTJABFG-SECBINFHSA-N 1 0 219.206 1.872 50 0 BDAARO C[C@@H](C[NH3+])c1ccc(S(C)(=O)=O)cc1 ZINC000037245790 343340953 /nfs/dbraw/zinc/34/09/53/343340953.db2.gz KTRIMZPQYWSEMI-QMMMGPOBSA-N 1 0 213.302 1.152 50 0 BDAARO COC(=O)CC[NH2+]Cc1cccc(F)c1F ZINC000037491313 343347100 /nfs/dbraw/zinc/34/71/00/343347100.db2.gz FPWSOJDLKHXLKX-UHFFFAOYSA-N 1 0 229.226 1.618 50 0 BDAARO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000039093829 343382098 /nfs/dbraw/zinc/38/20/98/343382098.db2.gz OBSACSBMTRJNPH-BDAKNGLRSA-N 1 0 214.309 1.781 50 0 BDAARO C[C@H]([NH3+])CCNC(=O)OCc1ccccc1 ZINC000039952290 343393873 /nfs/dbraw/zinc/39/38/73/343393873.db2.gz BCEXTNLECRJBLD-JTQLQIEISA-N 1 0 222.288 1.650 50 0 BDAARO O=c1oc2ccccc2n1C1CC[NH2+]CC1 ZINC000040448338 343403462 /nfs/dbraw/zinc/40/34/62/343403462.db2.gz SDARRYSVKYQEIW-UHFFFAOYSA-N 1 0 218.256 1.519 50 0 BDAARO [NH3+][C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000041027966 343412390 /nfs/dbraw/zinc/41/23/90/343412390.db2.gz FTMDHWHJMQDICM-ZDUSSCGKSA-N 1 0 216.328 1.577 50 0 BDAARO O=C(OCC[C@@H]1CCC[NH2+]C1)C1CCOCC1 ZINC000042768823 343451123 /nfs/dbraw/zinc/45/11/23/343451123.db2.gz OKKCNDVZVQQWBC-NSHDSACASA-N 1 0 241.331 1.346 50 0 BDAARO O=C(OCC[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000042769504 343451292 /nfs/dbraw/zinc/45/12/92/343451292.db2.gz CTODUQLVPPWIBW-GFCCVEGCSA-N 1 0 234.299 1.771 50 0 BDAARO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042778650 343453209 /nfs/dbraw/zinc/45/32/09/343453209.db2.gz OKENCYUXGIOWGA-MRVPVSSYSA-N 1 0 238.253 1.397 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC000043214580 343466457 /nfs/dbraw/zinc/46/64/57/343466457.db2.gz SXVYKJHEKCFXFM-PHIMTYICSA-N 1 0 240.347 1.853 50 0 BDAARO [NH3+][C@H](CCO)c1ccccc1Br ZINC000044396329 343499566 /nfs/dbraw/zinc/49/95/66/343499566.db2.gz AVWNPPJNIPXJIZ-SECBINFHSA-N 1 0 230.105 1.831 50 0 BDAARO Cc1ccc(CN2CC[NH2+]CC2)c(F)c1 ZINC000082640748 178573719 /nfs/dbraw/zinc/57/37/19/178573719.db2.gz HFCUWMQAMGBJRR-UHFFFAOYSA-N 1 0 208.280 1.539 50 0 BDAARO Cc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000032903571 178596325 /nfs/dbraw/zinc/59/63/25/178596325.db2.gz JLPYDFONSCDECC-GFCCVEGCSA-N 1 0 236.290 1.502 50 0 BDAARO CC(C)CN1CCN(C2CC[NH2+]CC2)C1=O ZINC000082360431 344154399 /nfs/dbraw/zinc/15/43/99/344154399.db2.gz YGZWSKRZHNCCBY-UHFFFAOYSA-N 1 0 225.336 1.132 50 0 BDAARO C[C@H]1C[C@H](CN(C)Cc2nc[nH]n2)CCO1 ZINC000408145064 344159728 /nfs/dbraw/zinc/15/97/28/344159728.db2.gz PKSMCXUEDYQTHS-VHSXEESVSA-N 1 0 224.308 1.052 50 0 BDAARO CCN1CCC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000090225596 344267374 /nfs/dbraw/zinc/26/73/74/344267374.db2.gz ZBQOOGNPIZZOFB-ZDUSSCGKSA-N 1 0 234.343 1.966 50 0 BDAARO CCc1cnc(C)nc1N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091848760 344285663 /nfs/dbraw/zinc/28/56/63/344285663.db2.gz NIHUSBXMRQODJT-OLZOCXBDSA-N 1 0 246.358 1.521 50 0 BDAARO CCc1cnc(N(C)C[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000095371151 344335249 /nfs/dbraw/zinc/33/52/49/344335249.db2.gz NMTKZSVNHXYJAV-ZDUSSCGKSA-N 1 0 248.374 1.960 50 0 BDAARO Cc1occc1C(=O)NCCC[NH+](C)C ZINC000006254715 344389733 /nfs/dbraw/zinc/38/97/33/344389733.db2.gz YDBVSMZANHLVBB-UHFFFAOYSA-N 1 0 210.277 1.270 50 0 BDAARO Cc1ccc2c(c1)c(=O)c1c3n2CC[NH2+][C@@H]3CC1 ZINC000000131411 344561496 /nfs/dbraw/zinc/56/14/96/344561496.db2.gz PNYWOKIRLFSQKT-GFCCVEGCSA-N 1 0 240.306 1.900 50 0 BDAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])C(F)(F)C1 ZINC000220674771 344568091 /nfs/dbraw/zinc/56/80/91/344568091.db2.gz LJBSWTXFLVTCDQ-SSDOTTSWSA-N 1 0 236.262 1.447 50 0 BDAARO CN(CCC(N)=[NH2+])C(=O)OC(C)(C)C ZINC000070650204 537876227 /nfs/dbraw/zinc/87/62/27/537876227.db2.gz IKRRHEPLPBZXKU-UHFFFAOYSA-N 1 0 201.270 1.179 50 0 BDAARO NC(=O)[C@@H]1CCC[N@H+](CCC[C@H]2CCCO2)C1 ZINC000253369653 345633970 /nfs/dbraw/zinc/63/39/70/345633970.db2.gz GGAWLCRPCILIPT-NEPJUHHUSA-N 1 0 240.347 1.143 50 0 BDAARO CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000236650475 192089585 /nfs/dbraw/zinc/08/95/85/192089585.db2.gz OVNBDJZGXHPUAN-VWYCJHECSA-N 1 0 212.337 1.617 50 0 BDAARO [NH3+][C@H]1CCC(=O)N(Cc2ccccc2)C1 ZINC000034216958 345927513 /nfs/dbraw/zinc/92/75/13/345927513.db2.gz QYWBKHBCEIIAMQ-NSHDSACASA-N 1 0 204.273 1.136 50 0 BDAARO CC[N@@H+]1CCN(c2nccs2)[C@@H](C)C1 ZINC000685939475 537928231 /nfs/dbraw/zinc/92/82/31/537928231.db2.gz ZKORRQVVLIEFCK-VIFPVBQESA-N 1 0 211.334 1.674 50 0 BDAARO Cc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000016604981 179015216 /nfs/dbraw/zinc/01/52/16/179015216.db2.gz LWROAYFZHCYIAW-UHFFFAOYSA-N 1 0 232.327 1.819 50 0 BDAARO Cc1cccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000091496685 179024814 /nfs/dbraw/zinc/02/48/14/179024814.db2.gz QBNLHOANVIRYRH-YPMHNXCESA-N 1 0 232.327 1.865 50 0 BDAARO Cc1cccc(CCC(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000054369379 179052186 /nfs/dbraw/zinc/05/21/86/179052186.db2.gz UJQHTOQJCZOFEK-ZDUSSCGKSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1cccc(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000071412896 179052826 /nfs/dbraw/zinc/05/28/26/179052826.db2.gz CFUIQIOTOKSRSJ-JSGCOSHPSA-N 1 0 246.354 1.652 50 0 BDAARO Cc1cccc(CC(=O)NCC2CC[NH2+]CC2)c1 ZINC000052127746 179053445 /nfs/dbraw/zinc/05/34/45/179053445.db2.gz WZJYPMQDKBHQCA-UHFFFAOYSA-N 1 0 246.354 1.653 50 0 BDAARO Cc1cccc(C[NH2+][C@@H](C)CS(C)(=O)=O)c1 ZINC000078639999 179096763 /nfs/dbraw/zinc/09/67/63/179096763.db2.gz VDIXBFSNYDUZAV-NSHDSACASA-N 1 0 241.356 1.518 50 0 BDAARO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCO ZINC000004655696 346606219 /nfs/dbraw/zinc/60/62/19/346606219.db2.gz CKNGVACMCYSSFS-CMPLNLGQSA-N 1 0 209.289 1.345 50 0 BDAARO Cc1cccc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000044493348 179148467 /nfs/dbraw/zinc/14/84/67/179148467.db2.gz JXCPUNPITQXVFL-LLVKDONJSA-N 1 0 205.305 1.944 50 0 BDAARO CCCC12CNCC(CCC)(C[NH2+]C1)C2=O ZINC000020102137 347407149 /nfs/dbraw/zinc/40/71/49/347407149.db2.gz ZGBNJTORAPCVCQ-UHFFFAOYSA-N 1 0 224.348 1.335 50 0 BDAARO Cc1ccccc1CC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000104361939 179258447 /nfs/dbraw/zinc/25/84/47/179258447.db2.gz OTRVVGDMRWLSJM-CYBMUJFWSA-N 1 0 246.354 1.653 50 0 BDAARO C[C@H]([NH2+]CCCN1CCCC1=O)[C@@H]1CCCO1 ZINC000195560587 347646692 /nfs/dbraw/zinc/64/66/92/347646692.db2.gz GJIFTDWKYVQYLM-RYUDHWBXSA-N 1 0 240.347 1.156 50 0 BDAARO CONC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000195569932 347647426 /nfs/dbraw/zinc/64/74/26/347647426.db2.gz PWZIBWHGWROENN-MNOVXSKESA-N 1 0 241.335 1.205 50 0 BDAARO Cc1cccn2c(=O)cc(C[NH2+]C(C)(C)C)nc12 ZINC000009645696 179354559 /nfs/dbraw/zinc/35/45/59/179354559.db2.gz PBAGMYJRHBBOLT-UHFFFAOYSA-N 1 0 245.326 1.891 50 0 BDAARO CC(C)NC(=O)NC[C@@](C)([NH3+])C(C)(C)C ZINC000725254831 538048535 /nfs/dbraw/zinc/04/85/35/538048535.db2.gz GAZXRNOUJQTTGI-LLVKDONJSA-N 1 0 215.341 1.458 50 0 BDAARO Cc1nc(-c2ccccn2)cc(NN)[nH+]1 ZINC000000331259 180020314 /nfs/dbraw/zinc/02/03/14/180020314.db2.gz FLKHWKGKVSSXFI-UHFFFAOYSA-N 1 0 201.233 1.133 50 0 BDAARO Cc1nc2c(n1[C@H]1CC[NH2+]C1)CCCC2 ZINC000076095351 180072568 /nfs/dbraw/zinc/07/25/68/180072568.db2.gz UUPMBIKPSSWRNM-JTQLQIEISA-N 1 0 205.305 1.605 50 0 BDAARO CC(C)[NH+](C[C@@]1(O)CCCN(C)C1)C(C)C ZINC000041123527 191064028 /nfs/dbraw/zinc/06/40/28/191064028.db2.gz ZDDZIJUZCWWYSS-CYBMUJFWSA-N 1 0 228.380 1.562 50 0 BDAARO Cc1ncccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000309767051 180223684 /nfs/dbraw/zinc/22/36/84/180223684.db2.gz JQEWHLVGOJZNFV-SNVBAGLBSA-N 1 0 216.288 1.964 50 0 BDAARO CC(C)(O)C[NH+]1CCN(c2nccs2)CC1 ZINC000037693525 350286934 /nfs/dbraw/zinc/28/69/34/350286934.db2.gz VWMQTQRJXPWLII-UHFFFAOYSA-N 1 0 241.360 1.036 50 0 BDAARO Cc1ncsc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000063116818 180303775 /nfs/dbraw/zinc/30/37/75/180303775.db2.gz CFPQEERUYPTJPI-UHFFFAOYSA-N 1 0 239.344 1.276 50 0 BDAARO Cc1nn(C(N)=[NH2+])c(C)c1Br ZINC000040162918 180332282 /nfs/dbraw/zinc/33/22/82/180332282.db2.gz IQTIKBXUFSKJFY-UHFFFAOYSA-N 1 0 217.070 1.004 50 0 BDAARO CC[NH2+]Cc1cc(-c2cc(N)ccc2F)n[nH]1 ZINC000725264772 538092088 /nfs/dbraw/zinc/09/20/88/538092088.db2.gz UXRGKGFJMPHCEK-UHFFFAOYSA-N 1 0 234.278 1.908 50 0 BDAARO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044420 180340868 /nfs/dbraw/zinc/34/08/68/180340868.db2.gz DARJUYOWEZCGEW-LBPRGKRZSA-N 1 0 237.347 1.553 50 0 BDAARO c1csc(-c2cnnn2[C@@H]2CCC[NH2+]CC2)n1 ZINC000725266191 538094723 /nfs/dbraw/zinc/09/47/23/538094723.db2.gz VGUMYWRGCBYBRK-SECBINFHSA-N 1 0 249.343 1.716 50 0 BDAARO Cc1nnc(S[C@H]2CC[NH2+]C2)s1 ZINC000051784138 180440497 /nfs/dbraw/zinc/44/04/97/180440497.db2.gz NESNCQCXICRNSV-LURJTMIESA-N 1 0 201.320 1.301 50 0 BDAARO CCN(CC)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000309503995 350680015 /nfs/dbraw/zinc/68/00/15/350680015.db2.gz JKQGGCAHPOZAMA-UHFFFAOYSA-N 1 0 222.336 1.218 50 0 BDAARO CC(C)[N@@H+]1CCN(C2CCC2)C[C@H]1CCO ZINC000106943793 191123455 /nfs/dbraw/zinc/12/34/55/191123455.db2.gz ZIVOOGUGHVGUFA-CYBMUJFWSA-N 1 0 226.364 1.316 50 0 BDAARO CC[N@@H+]1CCC[C@H](CNC(=O)C2CC2)C1 ZINC000069137665 351376460 /nfs/dbraw/zinc/37/64/60/351376460.db2.gz NNSNYSPPURDXKW-SNVBAGLBSA-N 1 0 210.321 1.245 50 0 BDAARO C[n+]1c(-c2ccccc2)cn2cccnc21 ZINC000196164341 180607116 /nfs/dbraw/zinc/60/71/16/180607116.db2.gz PQJTYKMIHDANQU-UHFFFAOYSA-N 1 0 210.260 1.826 50 0 BDAARO CCCOc1cncc(NC(=O)[C@H](C)[NH3+])c1 ZINC000638583739 352415138 /nfs/dbraw/zinc/41/51/38/352415138.db2.gz MSZQJMBYXKYDIZ-QMMMGPOBSA-N 1 0 223.276 1.156 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC000044893788 352481102 /nfs/dbraw/zinc/48/11/02/352481102.db2.gz SZSMBTTUJZGJON-SNVBAGLBSA-N 1 0 222.288 1.494 50 0 BDAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)nc1 ZINC000044895890 352486245 /nfs/dbraw/zinc/48/62/45/352486245.db2.gz OREMDHASDOVUMH-CYBMUJFWSA-N 1 0 247.342 1.604 50 0 BDAARO C/C=C/C=C/C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000044501879 187778583 /nfs/dbraw/zinc/77/85/83/187778583.db2.gz UDZMSFCCBIFGIR-PPNHYWAMSA-N 1 0 208.305 1.235 50 0 BDAARO CC(C)([NH3+])CN1CCN(c2ccccc2)CC1 ZINC000019685458 535199321 /nfs/dbraw/zinc/19/93/21/535199321.db2.gz VHBCSGDLYUIWQW-UHFFFAOYSA-N 1 0 233.359 1.546 50 0 BDAARO COc1ccc([C@@H](C)NC(N)=[NH2+])cc1Cl ZINC000000527259 188454346 /nfs/dbraw/zinc/45/43/46/188454346.db2.gz WISCXBOOUGZHTL-ZCFIWIBFSA-N 1 0 227.695 1.893 50 0 BDAARO Cc1ccccc1OC[C@H](O)C[NH2+]C(C)C ZINC000025970294 188464979 /nfs/dbraw/zinc/46/49/79/188464979.db2.gz PCVCNAZGPOOIQN-GFCCVEGCSA-N 1 0 223.316 1.733 50 0 BDAARO Fc1cccc2c1CCN1CC[NH2+]C[C@@H]21 ZINC000019788474 181005910 /nfs/dbraw/zinc/00/59/10/181005910.db2.gz WKACMCSEGGICSS-LBPRGKRZSA-N 1 0 206.264 1.328 50 0 BDAARO CCN1CCN(C(=O)c2scnc2C)CC1 ZINC000046743265 353824784 /nfs/dbraw/zinc/82/47/84/353824784.db2.gz NUFAAGTXTJVUSE-UHFFFAOYSA-N 1 0 239.344 1.229 50 0 BDAARO C[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)[C@H]1C[NH3+] ZINC000087237490 354245185 /nfs/dbraw/zinc/24/51/85/354245185.db2.gz XSKJHARKBMIJML-WOPDTQHZSA-N 1 0 240.347 1.141 50 0 BDAARO O[C@H]1C[C@@H]([NH2+]C2CCC(C(F)F)CC2)C1 ZINC000334620653 354358026 /nfs/dbraw/zinc/35/80/26/354358026.db2.gz JZXBCCWARLNBAZ-OXYCZDQYSA-N 1 0 219.275 1.923 50 0 BDAARO FC[C@@H]1C[N@H+](Cc2ccccn2)CCCO1 ZINC000334646766 354437285 /nfs/dbraw/zinc/43/72/85/354437285.db2.gz LBBFGUFMRDTNBC-GFCCVEGCSA-N 1 0 224.279 1.642 50 0 BDAARO Cc1ccc(NC(=O)N(C)CC[NH3+])c(F)c1 ZINC000335254706 355184445 /nfs/dbraw/zinc/18/44/45/355184445.db2.gz DQCLNFSUERTQFR-UHFFFAOYSA-N 1 0 225.267 1.557 50 0 BDAARO NC(=[NH2+])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000006095615 181187415 /nfs/dbraw/zinc/18/74/15/181187415.db2.gz KSSXEGOOTUHNCU-QPJJXVBHSA-N 1 0 244.342 1.211 50 0 BDAARO NC(=[NH2+])SCCOc1ccccc1F ZINC000007715579 181192605 /nfs/dbraw/zinc/19/26/05/181192605.db2.gz BACQGCQHVXKDHK-UHFFFAOYSA-N 1 0 214.265 1.831 50 0 BDAARO [NH2+]=C1c2ccccc2CN1NC(=O)C1CC1 ZINC000003246109 181207741 /nfs/dbraw/zinc/20/77/41/181207741.db2.gz HRTSFPREXSIBSH-UHFFFAOYSA-N 1 0 215.256 1.269 50 0 BDAARO NC(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000000216363 181216731 /nfs/dbraw/zinc/21/67/31/181216731.db2.gz AETBEQZQPPCSBI-UHFFFAOYSA-N 1 0 224.348 1.764 50 0 BDAARO NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000000219757 181216076 /nfs/dbraw/zinc/21/60/76/181216076.db2.gz FFGHPJZMTMJYDF-QPJJXVBHSA-N 1 0 244.338 1.897 50 0 BDAARO NC(=O)CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000040528256 181224842 /nfs/dbraw/zinc/22/48/42/181224842.db2.gz FDCYHKXTDUEFMC-JTQLQIEISA-N 1 0 224.329 1.760 50 0 BDAARO NNc1ccc(C(=O)Nc2ccc(F)cc2)c[nH+]1 ZINC000015829710 356329499 /nfs/dbraw/zinc/32/94/99/356329499.db2.gz UULYGBMFURQWDE-UHFFFAOYSA-N 1 0 246.245 1.759 50 0 BDAARO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C)C1CC1 ZINC000047922390 356359970 /nfs/dbraw/zinc/35/99/70/356359970.db2.gz WIDTXVYOVYSBQZ-JTQLQIEISA-N 1 0 212.337 1.489 50 0 BDAARO O=C1N(C2CCCCCC2)C[C@H]2C[NH2+]CCN12 ZINC000072233425 356374978 /nfs/dbraw/zinc/37/49/78/356374978.db2.gz MHLURVGBOOSBIN-GFCCVEGCSA-N 1 0 237.347 1.419 50 0 BDAARO NC(=O)[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000157089796 181282060 /nfs/dbraw/zinc/28/20/60/181282060.db2.gz BZPGQWQAUFDPSN-MNOVXSKESA-N 1 0 208.305 1.150 50 0 BDAARO CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC2)[C@H](C)C1 ZINC000084779978 538534315 /nfs/dbraw/zinc/53/43/15/538534315.db2.gz WWCIIVSDMPWKPD-PWSUYJOCSA-N 1 0 239.363 1.521 50 0 BDAARO COC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000033607432 356700593 /nfs/dbraw/zinc/70/05/93/356700593.db2.gz KUISDPUHRPZRFF-UHFFFAOYSA-N 1 0 219.284 1.481 50 0 BDAARO C[S@](=O)c1ccc(C[NH2+]C2CC2)cc1 ZINC000075103981 356833802 /nfs/dbraw/zinc/83/38/02/356833802.db2.gz VYCJTMQOSHNHDW-CQSZACIVSA-N 1 0 209.314 1.676 50 0 BDAARO CN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000075251982 356914294 /nfs/dbraw/zinc/91/42/94/356914294.db2.gz KHEHCJADAVDEIQ-CQSZACIVSA-N 1 0 216.328 1.921 50 0 BDAARO CCOC(=O)CCCCCC[NH+]1CCOCC1 ZINC000075261017 356924504 /nfs/dbraw/zinc/92/45/04/356924504.db2.gz VFZIHPXTYIZGDW-UHFFFAOYSA-N 1 0 243.347 1.832 50 0 BDAARO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH]1 ZINC000392392911 357151034 /nfs/dbraw/zinc/15/10/34/357151034.db2.gz WNAZYNKTBYHFMX-VFRUTBLMSA-N 1 0 220.320 1.952 50 0 BDAARO OC[C@@]1(F)CCC[N@H+](Cc2ccccc2)C1 ZINC000212112870 357224994 /nfs/dbraw/zinc/22/49/94/357224994.db2.gz CJVOLAVABCOJDC-CYBMUJFWSA-N 1 0 223.291 1.983 50 0 BDAARO CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCOC2)C(C)(C)O1 ZINC000090848800 358128334 /nfs/dbraw/zinc/12/83/34/358128334.db2.gz XFHPDPYHLXVQIE-ZWNOBZJWSA-N 1 0 243.347 1.074 50 0 BDAARO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC000048313916 358628486 /nfs/dbraw/zinc/62/84/86/358628486.db2.gz WDSICBLAYBAFJW-GFCCVEGCSA-N 1 0 224.348 1.873 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnc1 ZINC000040487840 358649069 /nfs/dbraw/zinc/64/90/69/358649069.db2.gz OSXXFHXDRURKTB-LBPRGKRZSA-N 1 0 233.315 1.296 50 0 BDAARO Cc1cn2c(n1)[C@H](C[NH2+]C1CCOCC1)CCC2 ZINC000095402071 360337224 /nfs/dbraw/zinc/33/72/24/360337224.db2.gz PGUBUILZWIOXIC-LBPRGKRZSA-N 1 0 249.358 1.838 50 0 BDAARO NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000052013228 181303115 /nfs/dbraw/zinc/30/31/15/181303115.db2.gz OFVDFTCQTUPUCU-QWHCGFSZSA-N 1 0 248.326 1.179 50 0 BDAARO NC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000052013223 181303388 /nfs/dbraw/zinc/30/33/88/181303388.db2.gz OFVDFTCQTUPUCU-STQMWFEESA-N 1 0 248.326 1.179 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 ZINC000041028304 361158830 /nfs/dbraw/zinc/15/88/30/361158830.db2.gz YLDYVVFTSFBOGJ-LLVKDONJSA-N 1 0 236.290 1.318 50 0 BDAARO CCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000170053063 361386297 /nfs/dbraw/zinc/38/62/97/361386297.db2.gz RSZFGIRZCKWPBF-MNOVXSKESA-N 1 0 210.321 1.148 50 0 BDAARO C/C=C(\C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000381402849 361393684 /nfs/dbraw/zinc/39/36/84/361393684.db2.gz QMHQBTYYAIEVLZ-CDCCAWJDSA-N 1 0 212.337 1.784 50 0 BDAARO C/C=C(\C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000381402851 361393894 /nfs/dbraw/zinc/39/38/94/361393894.db2.gz QMHQBTYYAIEVLZ-RUYJGKKWSA-N 1 0 212.337 1.784 50 0 BDAARO [NH3+]C1(c2nc3c(c(=O)[nH]2)CCCC3)CCCCC1 ZINC000068577026 181335237 /nfs/dbraw/zinc/33/52/37/181335237.db2.gz LBYPRZPERQWAHP-UHFFFAOYSA-N 1 0 247.342 1.767 50 0 BDAARO [NH3+]C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000012953748 181336411 /nfs/dbraw/zinc/33/64/11/181336411.db2.gz MEBRHDOGOQBNLX-ZYANWLCNSA-N 1 0 218.304 1.285 50 0 BDAARO C[C@@H]1CN(C(=O)/C=C/c2cccnc2)C[C@H](C)[NH2+]1 ZINC000153765061 201246877 /nfs/dbraw/zinc/24/68/77/201246877.db2.gz XRKDXMIOPYXCPV-MTJJXUSZSA-N 1 0 245.326 1.304 50 0 BDAARO [NH3+]C1CCN(c2cc3c(nn2)CCCC3)CC1 ZINC000229015838 181345284 /nfs/dbraw/zinc/34/52/84/181345284.db2.gz NIYNHWOWSDDQMZ-UHFFFAOYSA-N 1 0 232.331 1.283 50 0 BDAARO [NH3+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000004729158 181350465 /nfs/dbraw/zinc/35/04/65/181350465.db2.gz LHHLBENYRHCCQD-UHFFFAOYSA-N 1 0 240.306 1.851 50 0 BDAARO O[C@H]1CCC[C@@H]1[N@@H+]1CCc2ccccc2C1 ZINC000037489611 364067128 /nfs/dbraw/zinc/06/71/28/364067128.db2.gz OKFSUFYTHUYHCJ-KBPBESRZSA-N 1 0 217.312 1.958 50 0 BDAARO [NH3+]CC1(c2cccc(F)c2)CCOCC1 ZINC000009280607 181362745 /nfs/dbraw/zinc/36/27/45/181362745.db2.gz SZTJIHCPVBNZCD-UHFFFAOYSA-N 1 0 209.264 1.833 50 0 BDAARO [NH3+]CCC(=O)Nc1ccc(F)c(F)c1F ZINC000011755285 181369080 /nfs/dbraw/zinc/36/90/80/181369080.db2.gz RNZQMTPVOSBXSJ-UHFFFAOYSA-N 1 0 218.178 1.391 50 0 BDAARO [NH3+]CCCCCCNC(=O)C(F)(F)F ZINC000002381476 181374713 /nfs/dbraw/zinc/37/47/13/181374713.db2.gz QHXNVWBGJVVEOF-UHFFFAOYSA-N 1 0 212.215 1.184 50 0 BDAARO [NH3+]CCCCNC(=O)OCc1ccccc1 ZINC000002562439 181376699 /nfs/dbraw/zinc/37/66/99/181376699.db2.gz IZGKHHFFYLRBPL-UHFFFAOYSA-N 1 0 222.288 1.652 50 0 BDAARO [NH3+]CCCCc1ccc2c(c1)OCCO2 ZINC000011596981 181378133 /nfs/dbraw/zinc/37/81/33/181378133.db2.gz BCLNSPAJDVJROZ-UHFFFAOYSA-N 1 0 207.273 1.739 50 0 BDAARO [NH3+]CCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000020223513 181378889 /nfs/dbraw/zinc/37/88/89/181378889.db2.gz JAHOMWBMEAXUSN-UHFFFAOYSA-N 1 0 247.747 1.853 50 0 BDAARO [NH3+]CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000008737717 181380833 /nfs/dbraw/zinc/38/08/33/181380833.db2.gz ZVWBNKZIXYWKTC-CYBMUJFWSA-N 1 0 204.317 1.825 50 0 BDAARO [NH3+]CCN1CCC(c2ccccn2)CC1 ZINC000057493507 181391477 /nfs/dbraw/zinc/39/14/77/181391477.db2.gz VDASKFSPCWAOOM-UHFFFAOYSA-N 1 0 205.305 1.220 50 0 BDAARO [NH3+]CCNC(=O)c1cc2ccccc2o1 ZINC000019503845 181395854 /nfs/dbraw/zinc/39/58/54/181395854.db2.gz CCAVKCMCVKKVNT-UHFFFAOYSA-N 1 0 204.229 1.121 50 0 BDAARO [NH3+]CCNc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000002538394 181398553 /nfs/dbraw/zinc/39/85/53/181398553.db2.gz JTBKUGFLPCGFJB-UHFFFAOYSA-N 1 0 246.236 1.743 50 0 BDAARO [NH3+]CCOc1ccc(-c2ccccc2)nn1 ZINC000061957823 181399144 /nfs/dbraw/zinc/39/91/44/181399144.db2.gz KTVHLBLXUXKCAA-UHFFFAOYSA-N 1 0 215.256 1.481 50 0 BDAARO [NH3+]CCc1noc(Cc2ccccc2)n1 ZINC000019682129 181414839 /nfs/dbraw/zinc/41/48/39/181414839.db2.gz MNCJPWFLYHNYJC-UHFFFAOYSA-N 1 0 203.245 1.162 50 0 BDAARO O[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccnc1 ZINC000051188152 541513523 /nfs/dbraw/zinc/51/35/23/541513523.db2.gz PSPZZTWRMQXWQB-LSDHHAIUSA-N 1 0 240.306 1.830 50 0 BDAARO CCCCCC[C@H]([NH3+])COCCOC ZINC000232943576 541508628 /nfs/dbraw/zinc/50/86/28/541508628.db2.gz WZNUSOKAWGXODA-NSHDSACASA-N 1 0 203.326 1.947 50 0 BDAARO CC/C=C(\C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000215396484 370860470 /nfs/dbraw/zinc/86/04/70/370860470.db2.gz RWKFFCXJNJDUTR-JVOXIWMLSA-N 1 0 224.348 1.849 50 0 BDAARO COc1ccc2c(c1)CC[C@@H]1[NH2+]CCO[C@@H]21 ZINC000037405153 368368236 /nfs/dbraw/zinc/36/82/36/368368236.db2.gz YQSJWXYFWHZSEU-STQMWFEESA-N 1 0 219.284 1.671 50 0 BDAARO Cc1nc2cc(C[NH2+][C@H]3CCOC3)ccc2n1C ZINC000584898746 369045399 /nfs/dbraw/zinc/04/53/99/369045399.db2.gz WUJVFEIQBGHDKW-LBPRGKRZSA-N 1 0 245.326 1.760 50 0 BDAARO [NH3+]C[C@@H]1Cc2cc(-c3cncnc3)ccc2O1 ZINC000299780440 181438110 /nfs/dbraw/zinc/43/81/10/181438110.db2.gz CIEFQOYPGCRFFW-LBPRGKRZSA-N 1 0 227.267 1.406 50 0 BDAARO [NH3+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000019841023 181448924 /nfs/dbraw/zinc/44/89/24/181448924.db2.gz QBOZYQWTVVSEFZ-QMMMGPOBSA-N 1 0 235.205 1.404 50 0 BDAARO [NH3+]C[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000178553054 181463157 /nfs/dbraw/zinc/46/31/57/181463157.db2.gz PUVLIIJWVBZIIN-FMBMQGQPSA-N 1 0 249.289 1.041 50 0 BDAARO [NH3+]Cc1ccc(-n2cnc3ccccc32)nc1 ZINC000022211080 181479656 /nfs/dbraw/zinc/47/96/56/181479656.db2.gz 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XUXFMZVGIRJGIQ-YVNMAJEFSA-N 1 0 213.321 1.447 50 0 BDAARO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000122628181 384496988 /nfs/dbraw/zinc/49/69/88/384496988.db2.gz ISMKWEAFUHHREH-JOYOIKCWSA-N 1 0 226.295 1.888 50 0 BDAARO CC1(C)Cc2cccc(OCC[NH3+])c2O1 ZINC000019259137 384513952 /nfs/dbraw/zinc/51/39/52/384513952.db2.gz SZPVIOGPECKSPN-UHFFFAOYSA-N 1 0 207.273 1.738 50 0 BDAARO FC(F)(F)c1cc([C@@H]2CCC[NH2+]2)[nH]n1 ZINC000019686276 384531280 /nfs/dbraw/zinc/53/12/80/384531280.db2.gz HYUDUPKYCBZLTI-YFKPBYRVSA-N 1 0 205.183 1.853 50 0 BDAARO Cc1c[nH]c(CN(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000097694604 384545157 /nfs/dbraw/zinc/54/51/57/384545157.db2.gz FMCCOKCNGBHMHQ-LBPRGKRZSA-N 1 0 236.363 1.492 50 0 BDAARO [NH3+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000049649041 384554044 /nfs/dbraw/zinc/55/40/44/384554044.db2.gz NUQCMSALWYGKNK-VIFPVBQESA-N 1 0 228.654 1.543 50 0 BDAARO C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1ncc[nH]1 ZINC000095448846 384618274 /nfs/dbraw/zinc/61/82/74/384618274.db2.gz 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CN[C@@H](c1ccncc1)[C@@H]([NH2+]C)c1ccncc1 ZINC000022451026 384763648 /nfs/dbraw/zinc/76/36/48/384763648.db2.gz PQABABVPLVDKKK-KBPBESRZSA-N 1 0 242.326 1.698 50 0 in-vitro BDAARO [NH3+]C[C@H]1CCCN(c2nc3ncccc3o2)C1 ZINC000022637924 384766635 /nfs/dbraw/zinc/76/66/35/384766635.db2.gz HTPJMLAFRPQOSJ-SECBINFHSA-N 1 0 232.287 1.398 50 0 BDAARO [NH3+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC000083985508 384824055 /nfs/dbraw/zinc/82/40/55/384824055.db2.gz VVIQPDGMXGRYBD-LLVKDONJSA-N 1 0 204.273 1.136 50 0 BDAARO c1cncc(C[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000023094272 384787097 /nfs/dbraw/zinc/78/70/97/384787097.db2.gz XZATXEKZESYHKS-ZDUSSCGKSA-N 1 0 217.316 1.265 50 0 BDAARO [NH3+]C[C@H](CO)Cc1ccccc1Br ZINC000026476810 384877567 /nfs/dbraw/zinc/87/75/67/384877567.db2.gz GGAABHXLEIHHSB-MRVPVSSYSA-N 1 0 244.132 1.559 50 0 BDAARO CC(C)(C)OC(=O)N1CCCC[C@@H]([NH3+])C1 ZINC000026896551 384886648 /nfs/dbraw/zinc/88/66/48/384886648.db2.gz WXWILWLHHQGUCX-SECBINFHSA-N 1 0 214.309 1.735 50 0 BDAARO C[NH+](C)CCNC(=O)c1ccccc1F ZINC000012020177 384842272 /nfs/dbraw/zinc/84/22/72/384842272.db2.gz DMQWONSGJKJDRQ-UHFFFAOYSA-N 1 0 210.252 1.117 50 0 BDAARO C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000084248948 384852770 /nfs/dbraw/zinc/85/27/70/384852770.db2.gz FWTHDJLHNCEJBW-NXEZZACHSA-N 1 0 228.336 1.851 50 0 BDAARO Cc1ccc([C@@H]([NH3+])[C@H](C)S(C)(=O)=O)cc1 ZINC000054930022 384860849 /nfs/dbraw/zinc/86/08/49/384860849.db2.gz CIGPVICRESLYOY-ONGXEEELSA-N 1 0 227.329 1.428 50 0 BDAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH3+] ZINC000054962612 384862335 /nfs/dbraw/zinc/86/23/35/384862335.db2.gz WXDZIZHKEDYNPU-MRVPVSSYSA-N 1 0 214.272 1.867 50 0 BDAARO C[C@H]1[C@H]([NH3+])CC(=O)N1Cc1ccccc1 ZINC000084367769 384863869 /nfs/dbraw/zinc/86/38/69/384863869.db2.gz WAOBUUMLISOCEV-GXSJLCMTSA-N 1 0 204.273 1.135 50 0 BDAARO C[C@](O)(C[NH3+])c1ccccc1Br ZINC000055032548 384866320 /nfs/dbraw/zinc/86/63/20/384866320.db2.gz TWPDFEVARUDLQD-VIFPVBQESA-N 1 0 230.105 1.615 50 0 BDAARO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cc[nH]n1 ZINC000105446793 384867542 /nfs/dbraw/zinc/86/75/42/384867542.db2.gz UUTCZKNWNRLMTK-JTQLQIEISA-N 1 0 231.299 1.836 50 0 BDAARO [NH3+]Cc1nnc(C(F)(F)F)n1-c1ccccc1 ZINC000056894976 384921292 /nfs/dbraw/zinc/92/12/92/384921292.db2.gz CAVXIVWEZDUGTQ-UHFFFAOYSA-N 1 0 242.204 1.745 50 0 BDAARO CC/C=C(/C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000058014289 384979551 /nfs/dbraw/zinc/97/95/51/384979551.db2.gz WMHCMNNQLHDWAK-MCWZUMHDSA-N 1 0 236.359 1.943 50 0 BDAARO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1 ZINC000061883016 384986482 /nfs/dbraw/zinc/98/64/82/384986482.db2.gz NIJQILQTVXBQMS-NEPJUHHUSA-N 1 0 218.300 1.544 50 0 BDAARO c1coc(C[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019946294 384993940 /nfs/dbraw/zinc/99/39/40/384993940.db2.gz INILIKYEJNBXMX-GFCCVEGCSA-N 1 0 206.289 1.463 50 0 BDAARO O=C(OC[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000086229836 384998990 /nfs/dbraw/zinc/99/89/90/384998990.db2.gz SPTCFMPHLMNYPF-JTQLQIEISA-N 1 0 212.293 1.361 50 0 BDAARO CN(Cc1ccccc1F)C(=O)[C@H]1CC[NH2+]C1 ZINC000062112934 385064689 /nfs/dbraw/zinc/06/46/89/385064689.db2.gz XNWJJXXQMSVIPK-JTQLQIEISA-N 1 0 236.290 1.394 50 0 BDAARO C[NH2+][C@H](C)[C@@H](O)c1ccc2c(c1)CCCO2 ZINC000006468925 385116124 /nfs/dbraw/zinc/11/61/24/385116124.db2.gz NWZPIFDZTSJMEV-NOZJJQNGSA-N 1 0 221.300 1.653 50 0 BDAARO [NH3+]C[C@H](c1cccc(O)c1)N1CCCC1 ZINC000032021204 385123567 /nfs/dbraw/zinc/12/35/67/385123567.db2.gz NKWGAFYJJLFWOL-GFCCVEGCSA-N 1 0 206.289 1.488 50 0 BDAARO CC[C@](C)([NH2+]Cc1cccc(C)c1)C(N)=O ZINC000096473693 385186758 /nfs/dbraw/zinc/18/67/58/385186758.db2.gz LRXUMUYRGZLYTP-ZDUSSCGKSA-N 1 0 220.316 1.739 50 0 BDAARO CC(C)=CC(=O)N1CCC([NH+](C)C)CC1 ZINC000072280315 385156391 /nfs/dbraw/zinc/15/63/91/385156391.db2.gz CTXZWOHOXFFYJZ-UHFFFAOYSA-N 1 0 210.321 1.505 50 0 BDAARO Fc1ccc2[nH]c([C@@H]3CC[NH2+]C3)nc2c1 ZINC000062119379 385160052 /nfs/dbraw/zinc/16/00/52/385160052.db2.gz MJEUQEMUPPAFOT-SSDOTTSWSA-N 1 0 205.236 1.779 50 0 BDAARO CC[NH+](CC)CC(=O)N[C@H]1CCCC[C@@H]1OC ZINC000096441002 385169854 /nfs/dbraw/zinc/16/98/54/385169854.db2.gz FBUCHYCIFQWLAA-RYUDHWBXSA-N 1 0 242.363 1.402 50 0 BDAARO C[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000269067060 385208016 /nfs/dbraw/zinc/20/80/16/385208016.db2.gz OTYMYAQDQPEUAZ-SGMGOOAPSA-N 1 0 246.354 1.813 50 0 BDAARO [NH3+]CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000033420612 385232435 /nfs/dbraw/zinc/23/24/35/385232435.db2.gz CPPYQODHFZJTID-UHFFFAOYSA-N 1 0 249.701 1.522 50 0 BDAARO CCN(CC[NH+]1CCCC1)Cc1cccnc1 ZINC000065435998 385311978 /nfs/dbraw/zinc/31/19/78/385311978.db2.gz WRDIHFSQBRYJSN-UHFFFAOYSA-N 1 0 233.359 1.999 50 0 BDAARO Cc1noc(C)c1CN1CC[NH+](CC2CC2)CC1 ZINC000048775769 385274639 /nfs/dbraw/zinc/27/46/39/385274639.db2.gz HKNVVLWIXGCKCJ-UHFFFAOYSA-N 1 0 249.358 1.819 50 0 BDAARO c1ccc2c(c1)COCC21CC[NH2+]CC1 ZINC000034522153 385285440 /nfs/dbraw/zinc/28/54/40/385285440.db2.gz QKTGFZPABWGWIF-UHFFFAOYSA-N 1 0 203.285 1.838 50 0 BDAARO Cc1nnc(N2CC([NH+]3CCCCC3)C2)o1 ZINC000095353193 385287138 /nfs/dbraw/zinc/28/71/38/385287138.db2.gz UZEOIUATTPRYAH-UHFFFAOYSA-N 1 0 222.292 1.053 50 0 BDAARO CS(=O)(=O)c1cccc(C2CC[NH2+]CC2)c1 ZINC000039365773 385475701 /nfs/dbraw/zinc/47/57/01/385475701.db2.gz BFFDEVPWGSZYSN-UHFFFAOYSA-N 1 0 239.340 1.557 50 0 BDAARO CCCn1c[n+](Cc2ccccc2)cn1 ZINC000252483651 385651071 /nfs/dbraw/zinc/65/10/71/385651071.db2.gz FGMPUWOCYJMDFU-UHFFFAOYSA-N 1 0 202.281 1.629 50 0 BDAARO CCCn1c[n+](Cc2ccc(F)cc2)cn1 ZINC000252494269 385651811 /nfs/dbraw/zinc/65/18/11/385651811.db2.gz NQFUJBGLKJOQJY-UHFFFAOYSA-N 1 0 220.271 1.768 50 0 BDAARO Cc1cc(C)n(CC[N@@H+](C)[C@H]2CCSC2)n1 ZINC000270468799 385710059 /nfs/dbraw/zinc/71/00/59/385710059.db2.gz BOKVXUYCZOZKCE-LBPRGKRZSA-N 1 0 239.388 1.937 50 0 BDAARO [NH3+][C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000057955346 385944665 /nfs/dbraw/zinc/94/46/65/385944665.db2.gz ULWJUCOTGJFUJS-LLVKDONJSA-N 1 0 238.718 1.442 50 0 BDAARO CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000162509678 386103417 /nfs/dbraw/zinc/10/34/17/386103417.db2.gz LMCOQMMIAHCCFN-HTQZYQBOSA-N 1 0 214.309 1.637 50 0 BDAARO Cc1ccc(C(=O)NCC[NH+]2CCCCC2)o1 ZINC000040107518 386176078 /nfs/dbraw/zinc/17/60/78/386176078.db2.gz RJUVWUUEHGHMHN-UHFFFAOYSA-N 1 0 236.315 1.804 50 0 BDAARO CCO[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000132240091 386228484 /nfs/dbraw/zinc/22/84/84/386228484.db2.gz QSDKDDAXPFYOOC-OLZOCXBDSA-N 1 0 248.326 1.324 50 0 BDAARO CC[NH+](CC)CCNC(=O)Cc1cccc(N)c1 ZINC000052922190 386367162 /nfs/dbraw/zinc/36/71/62/386367162.db2.gz JAJNYAPLCUKCJD-UHFFFAOYSA-N 1 0 249.358 1.269 50 0 BDAARO CC(C)(C)OC(=O)N1CC(C2C[NH2+]C2)C1 ZINC000238171809 386448955 /nfs/dbraw/zinc/44/89/55/386448955.db2.gz KLVNTVBRODLLFI-UHFFFAOYSA-N 1 0 212.293 1.073 50 0 BDAARO C[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH2+]1 ZINC000238857044 386537597 /nfs/dbraw/zinc/53/75/97/386537597.db2.gz XWFWZDUHQMTADY-OPRDCNLKSA-N 1 0 226.320 1.604 50 0 BDAARO Cc1cc(C(=O)NCC[NH2+]C2CC2)ccc1F ZINC000063058206 386663775 /nfs/dbraw/zinc/66/37/75/386663775.db2.gz GYTUNMBXYMEZCB-UHFFFAOYSA-N 1 0 236.290 1.616 50 0 BDAARO COc1c(C)cnc(CN2CC[C@@H](C[NH3+])C2)c1C ZINC000050249116 386736760 /nfs/dbraw/zinc/73/67/60/386736760.db2.gz RQSPWCBOFYBFSI-LBPRGKRZSA-N 1 0 249.358 1.488 50 0 BDAARO COCc1ccccc1C(=O)N1CCC[NH2+]CC1 ZINC000237168229 386756196 /nfs/dbraw/zinc/75/61/96/386756196.db2.gz POPRTAMDRRPNPQ-UHFFFAOYSA-N 1 0 248.326 1.269 50 0 BDAARO [NH3+]C[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000044541623 386832766 /nfs/dbraw/zinc/83/27/66/386832766.db2.gz CSANJIBJQHOPOZ-VIFPVBQESA-N 1 0 208.261 1.233 50 0 BDAARO C[C@H]1CN(CC2CCC(F)(F)CC2)CC(=O)N1 ZINC000334785808 386847597 /nfs/dbraw/zinc/84/75/97/386847597.db2.gz BJZISHPECNBBPG-VIFPVBQESA-N 1 0 246.301 1.632 50 0 BDAARO CC1(C)[NH2+]CC[C@H]1NCc1cccnc1 ZINC000334874505 386934079 /nfs/dbraw/zinc/93/40/79/386934079.db2.gz NWMIUWAAXASASQ-LLVKDONJSA-N 1 0 205.305 1.312 50 0 BDAARO CC(C)(C)CC[NH+]1CCN(CCO)CC1 ZINC000049773769 387038572 /nfs/dbraw/zinc/03/85/72/387038572.db2.gz CSBJRNMYSPWCQK-UHFFFAOYSA-N 1 0 214.353 1.033 50 0 BDAARO CCn1nncc1C[NH2+]CCSC(C)C ZINC000418059043 387079022 /nfs/dbraw/zinc/07/90/22/387079022.db2.gz SGRRCVLAJMDZQA-UHFFFAOYSA-N 1 0 228.365 1.529 50 0 BDAARO Fc1ccc2c(c1)C1(CN2)CC[NH2+]CC1 ZINC000079032899 387154052 /nfs/dbraw/zinc/15/40/52/387154052.db2.gz TVFGWSVHUUTITG-UHFFFAOYSA-N 1 0 206.264 1.872 50 0 BDAARO O[C@H]1CCC=CCC[C@H]1[NH+]1CCOCC1 ZINC000536954790 387167452 /nfs/dbraw/zinc/16/74/52/387167452.db2.gz MFKWRYOIVPEJQW-NEPJUHHUSA-N 1 0 211.305 1.178 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000237824706 387220441 /nfs/dbraw/zinc/22/04/41/387220441.db2.gz RXZLSSPDQDKJDH-URWSZGRFSA-N 1 0 230.311 1.568 50 0 BDAARO CC(C)[N@H+](C)CC(=O)NCC1(O)CCCCC1 ZINC000075210146 387258512 /nfs/dbraw/zinc/25/85/12/387258512.db2.gz UZOOQPZIMGMDOF-UHFFFAOYSA-N 1 0 242.363 1.138 50 0 BDAARO C[N@H+](CCN1CCCC1=O)C[C@@H]1CC=CCC1 ZINC000093320200 387269763 /nfs/dbraw/zinc/26/97/63/387269763.db2.gz SPSPQDBTOGRXHK-CYBMUJFWSA-N 1 0 236.359 1.897 50 0 BDAARO CC[N@H+](CCN1CCOCC1)[C@H](C)C(C)C ZINC000077655301 387451739 /nfs/dbraw/zinc/45/17/39/387451739.db2.gz FTFJNNJWVKJBOI-CYBMUJFWSA-N 1 0 228.380 1.685 50 0 BDAARO COc1ccccc1NC(=O)OCC[NH+](C)C ZINC000004774867 387459768 /nfs/dbraw/zinc/45/97/68/387459768.db2.gz BCRUKIRKEVXOOW-UHFFFAOYSA-N 1 0 238.287 1.805 50 0 BDAARO CC[C@H]([NH3+])C(=O)N(C[C@H]1C[C@@H]1C)C(C)C ZINC000118967764 387475727 /nfs/dbraw/zinc/47/57/27/387475727.db2.gz INTCXZSOEZECBY-AXFHLTTASA-N 1 0 212.337 1.617 50 0 BDAARO CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546414 387486803 /nfs/dbraw/zinc/48/68/03/387486803.db2.gz BFFKLVCATGLHKG-CQSZACIVSA-N 1 0 240.391 1.831 50 0 BDAARO C[C@H]([NH3+])CCC(=O)NCc1ccc(F)cc1 ZINC000069838851 387717179 /nfs/dbraw/zinc/71/71/79/387717179.db2.gz DEPVKHVZAILWDX-VIFPVBQESA-N 1 0 224.279 1.569 50 0 BDAARO c1ccc2c(c1)ncnc2NC1CC[NH2+]CC1 ZINC000037715823 387848076 /nfs/dbraw/zinc/84/80/76/387848076.db2.gz GQISUMHDDPZFLS-UHFFFAOYSA-N 1 0 228.299 1.794 50 0 BDAARO c1cc([C@H]2CCC[N@@H+](C[C@H]3CCOC3)C2)n[nH]1 ZINC000613208857 388010206 /nfs/dbraw/zinc/01/02/06/388010206.db2.gz NDQGTQAZYBMLRR-NEPJUHHUSA-N 1 0 235.331 1.626 50 0 BDAARO CC[C@@H](CNC(=O)C1CCC1)[NH+]1CCCC1 ZINC000042498377 388095181 /nfs/dbraw/zinc/09/51/81/388095181.db2.gz KHLAPXUWOYXRFQ-LBPRGKRZSA-N 1 0 224.348 1.777 50 0 BDAARO C[N@H+](CCO)C[C@H](O)c1ccccc1Cl ZINC000071812638 388116329 /nfs/dbraw/zinc/11/63/29/388116329.db2.gz WOJWVKCZKRLWJH-NSHDSACASA-N 1 0 229.707 1.298 50 0 BDAARO CCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000249280707 388157591 /nfs/dbraw/zinc/15/75/91/388157591.db2.gz MQHUJUREPHNFRA-TUAOUCFPSA-N 1 0 215.337 1.911 50 0 BDAARO Cc1n[nH]cc1C[NH2+]CCOc1ccccc1 ZINC000042267788 388275919 /nfs/dbraw/zinc/27/59/19/388275919.db2.gz KCFUTYMROSXARF-UHFFFAOYSA-N 1 0 231.299 1.887 50 0 BDAARO Cc1ccc(C[NH2+]CC[S@](C)=O)cc1F ZINC000089643385 388357621 /nfs/dbraw/zinc/35/76/21/388357621.db2.gz DJYSCSFYXBWULM-OAHLLOKOSA-N 1 0 229.320 1.602 50 0 BDAARO C[N@H+](CCNc1cc(Cl)nc(N)n1)C1CC1 ZINC000067711191 388406962 /nfs/dbraw/zinc/40/69/62/388406962.db2.gz BUVQKMIKIYYQHJ-UHFFFAOYSA-N 1 0 241.726 1.218 50 0 BDAARO Cn1nccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000130596554 388362046 /nfs/dbraw/zinc/36/20/46/388362046.db2.gz CTSZRBQXLLKNEL-SNVBAGLBSA-N 1 0 211.334 1.357 50 0 BDAARO CON(C)C(=O)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000057910629 388369392 /nfs/dbraw/zinc/36/93/92/388369392.db2.gz PBFLUUSIWRGZOR-ZDUSSCGKSA-N 1 0 248.326 1.843 50 0 BDAARO CC[C@@H](Cc1ccccc1)[N@H+](C)CC(N)=O ZINC000076040467 388369971 /nfs/dbraw/zinc/36/99/71/388369971.db2.gz JJLWLDVOKZYMFP-LBPRGKRZSA-N 1 0 220.316 1.425 50 0 BDAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000163341896 388376903 /nfs/dbraw/zinc/37/69/03/388376903.db2.gz GCMMLDGCOHMHIJ-QMTHXVAHSA-N 1 0 248.301 1.666 50 0 BDAARO C[NH2+][C@H]1CCCN(C(=O)/C=C/c2cccnc2)C1 ZINC000133706961 388388136 /nfs/dbraw/zinc/38/81/36/388388136.db2.gz SJRCDSGTDHLDSW-YBJDMEARSA-N 1 0 245.326 1.305 50 0 BDAARO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)o1 ZINC000042503106 388444616 /nfs/dbraw/zinc/44/46/16/388444616.db2.gz YZDSMKWXCMMDNL-JTQLQIEISA-N 1 0 236.315 1.802 50 0 BDAARO C[NH+](C)CCn1cnc2c(F)cccc2c1=O ZINC000043000114 388447543 /nfs/dbraw/zinc/44/75/43/388447543.db2.gz NNJAJFYQEPIMDV-UHFFFAOYSA-N 1 0 235.262 1.097 50 0 BDAARO C[C@]1(O)CCC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000245316647 388415727 /nfs/dbraw/zinc/41/57/27/388415727.db2.gz KBPZKKJOIOEQIP-KKUMJFAQSA-N 1 0 247.338 1.492 50 0 BDAARO C[C@H](CNC(=O)c1ncccc1O)[NH+]1CCCC1 ZINC000069438896 388417243 /nfs/dbraw/zinc/41/72/43/388417243.db2.gz HZDPILAIJSTZBG-SNVBAGLBSA-N 1 0 249.314 1.001 50 0 BDAARO Cc1noc(C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000040489565 388417837 /nfs/dbraw/zinc/41/78/37/388417837.db2.gz NUKMPXYUTGEZSZ-DTORHVGOSA-N 1 0 209.293 1.856 50 0 BDAARO CC(C)CC[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000069620950 388422255 /nfs/dbraw/zinc/42/22/55/388422255.db2.gz NILHHDSTNKDNEY-LBPRGKRZSA-N 1 0 222.336 1.789 50 0 BDAARO C[C@H]([C@H](C)[NH2+]C[C@@H]1CCCCO1)n1cccn1 ZINC000069818177 388427059 /nfs/dbraw/zinc/42/70/59/388427059.db2.gz BSMBSVRSKVHRJM-XQQFMLRXSA-N 1 0 237.347 1.991 50 0 BDAARO CCCc1cc(=O)[nH]c([C@](C)([NH3+])CC)n1 ZINC000070039502 388431782 /nfs/dbraw/zinc/43/17/82/388431782.db2.gz QAQAYROSXZVDCQ-LLVKDONJSA-N 1 0 209.293 1.306 50 0 BDAARO CC[C@H]1CN(CC=C(C)C)CC[N@@H+]1CCOC ZINC000070018304 388432288 /nfs/dbraw/zinc/43/22/88/388432288.db2.gz FJVRPSXPSJMOSN-AWEZNQCLSA-N 1 0 240.391 1.995 50 0 BDAARO Cc1cc(C(=O)N2CCCC[C@H]2CC[NH3+])[nH]n1 ZINC000070378919 388436133 /nfs/dbraw/zinc/43/61/33/388436133.db2.gz XMXXTLOGAGJGDO-JTQLQIEISA-N 1 0 236.319 1.062 50 0 BDAARO CC(C)(C)[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000054396927 388436135 /nfs/dbraw/zinc/43/61/35/388436135.db2.gz VFYVUSLOCXQTDQ-GFCCVEGCSA-N 1 0 220.316 1.849 50 0 BDAARO CC[NH+](CC)CCN1CC[C@@H](C)[C@@H](O)C1 ZINC000195555852 388483897 /nfs/dbraw/zinc/48/38/97/388483897.db2.gz AOHAWZLYDISOEL-NEPJUHHUSA-N 1 0 214.353 1.031 50 0 BDAARO CC[C@H](O)C[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000195561163 388484776 /nfs/dbraw/zinc/48/47/76/388484776.db2.gz CXEJJYGMPCNZAE-RYUDHWBXSA-N 1 0 239.363 1.849 50 0 BDAARO CCOC(=O)N1CCC([NH2+][C@@H](C)COC)CC1 ZINC000003683624 388500474 /nfs/dbraw/zinc/50/04/74/388500474.db2.gz JSULWGMBORVTHV-JTQLQIEISA-N 1 0 244.335 1.232 50 0 BDAARO O=C(NCCSCC1CC1)[C@@H]1CCCC[NH2+]1 ZINC000253429061 388592751 /nfs/dbraw/zinc/59/27/51/388592751.db2.gz BYVFFMGHSUQLHD-NSHDSACASA-N 1 0 242.388 1.388 50 0 BDAARO CCS[C@H]1CCC[C@@H]1[NH2+]CCC(=O)NC ZINC000252485377 388595069 /nfs/dbraw/zinc/59/50/69/388595069.db2.gz GSTKSZOSMKSBOY-UWVGGRQHSA-N 1 0 230.377 1.386 50 0 BDAARO CCS[C@H]1CCC[C@H]1[NH2+]CCC(=O)NC ZINC000233841957 388595173 /nfs/dbraw/zinc/59/51/73/388595173.db2.gz GSTKSZOSMKSBOY-ZJUUUORDSA-N 1 0 230.377 1.386 50 0 BDAARO CCO[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)C1(C)C ZINC000236977478 388595678 /nfs/dbraw/zinc/59/56/78/388595678.db2.gz ABGGKUGGXJRVSF-UWVGGRQHSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](O)C1 ZINC000074313689 388649024 /nfs/dbraw/zinc/64/90/24/388649024.db2.gz SACQWVKEYOOHKN-CABZTGNLSA-N 1 0 209.264 1.953 50 0 BDAARO CCc1ccccc1C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000225462903 388708912 /nfs/dbraw/zinc/70/89/12/388708912.db2.gz YYUIHEUUAIQBNR-KGLIPLIRSA-N 1 0 235.327 1.177 50 0 BDAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC000069845039 388725290 /nfs/dbraw/zinc/72/52/90/388725290.db2.gz BWTXRTRNKATACV-LBPRGKRZSA-N 1 0 247.342 1.638 50 0 BDAARO CC(C)[C@@H](CO)[NH2+]Cc1noc2c1CCCC2 ZINC000096007180 388803274 /nfs/dbraw/zinc/80/32/74/388803274.db2.gz QGYHAJXEGZHPNT-GFCCVEGCSA-N 1 0 238.331 1.660 50 0 BDAARO CCN(CCC[NH3+])c1ccccc1OC ZINC000020239370 388759422 /nfs/dbraw/zinc/75/94/22/388759422.db2.gz UJYABCLPLDLUNU-UHFFFAOYSA-N 1 0 208.305 1.870 50 0 BDAARO CC(C)C(=O)N1CC[C@H]([NH2+]CC2CC2)[C@H](C)C1 ZINC000095402497 388766418 /nfs/dbraw/zinc/76/64/18/388766418.db2.gz UFKZREJRNBWRPL-YPMHNXCESA-N 1 0 238.375 1.879 50 0 BDAARO CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000080404879 388767885 /nfs/dbraw/zinc/76/78/85/388767885.db2.gz UWIVHRKKYHOUDG-LBPRGKRZSA-N 1 0 224.279 1.565 50 0 BDAARO C[C@@]1(CO)CCC[N@H+](CCc2ccncc2)C1 ZINC000095434308 388771294 /nfs/dbraw/zinc/77/12/94/388771294.db2.gz DZBLJZAMFUFRDY-CQSZACIVSA-N 1 0 234.343 1.719 50 0 BDAARO C[C@H]([NH2+]CCCn1cccn1)[C@H]1CCCOC1 ZINC000095468518 388773819 /nfs/dbraw/zinc/77/38/19/388773819.db2.gz DMGVYWFEIWNYTB-STQMWFEESA-N 1 0 237.347 1.678 50 0 BDAARO CC[C@H](COC)[NH2+]Cc1csc(N(C)C)n1 ZINC000096478982 388820220 /nfs/dbraw/zinc/82/02/20/388820220.db2.gz PJPOPMYATALDPF-SECBINFHSA-N 1 0 243.376 1.724 50 0 BDAARO COC[C@@H](O)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000097054808 388831441 /nfs/dbraw/zinc/83/14/41/388831441.db2.gz LBRSYOOVFTUWDG-NSHDSACASA-N 1 0 243.734 1.745 50 0 BDAARO C[C@H]([NH2+]CC(N)=O)[C@@H](C)c1ccccc1 ZINC000097048979 388831993 /nfs/dbraw/zinc/83/19/93/388831993.db2.gz MPAUKSZYXUXQRL-ZJUUUORDSA-N 1 0 206.289 1.254 50 0 BDAARO CSCC[C@@H](CO)[NH2+][C@@H]1CCCSC1 ZINC000097084638 388834198 /nfs/dbraw/zinc/83/41/98/388834198.db2.gz ZGOUXWWBODZQFY-VHSXEESVSA-N 1 0 235.418 1.586 50 0 BDAARO [NH3+]Cc1ccnc(N2CCSCC2)c1 ZINC000020230897 132330357 /nfs/dbraw/zinc/33/03/57/132330357.db2.gz FFHDQWVSXSKWLF-UHFFFAOYSA-N 1 0 209.318 1.094 50 0 BDAARO c1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)nc1 ZINC000244933178 132302729 /nfs/dbraw/zinc/30/27/29/132302729.db2.gz CFIIYXSOXXCYSK-GFCCVEGCSA-N 1 0 249.383 1.709 50 0 BDAARO O=c1ccc2cccc(N3CC[NH2+]CC3)c2o1 ZINC000000004465 132308339 /nfs/dbraw/zinc/30/83/39/132308339.db2.gz MTYYDFXUUJQQRS-UHFFFAOYSA-N 1 0 230.267 1.203 50 0 in-man BDAARO C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000082554154 132310542 /nfs/dbraw/zinc/31/05/42/132310542.db2.gz MGKXFWPDHPNPGE-JTQLQIEISA-N 1 0 248.326 1.066 50 0 BDAARO Cc1cc(C(F)(F)F)nc(N2CC[NH2+]CC2)n1 ZINC000002554495 132315178 /nfs/dbraw/zinc/31/51/78/132315178.db2.gz VYJXARJVRTWEKS-UHFFFAOYSA-N 1 0 246.236 1.213 50 0 BDAARO c1ccc(N2CCN(c3cnccn3)CC2)nc1 ZINC000003443091 132315387 /nfs/dbraw/zinc/31/53/87/132315387.db2.gz YJUNUZINZAANKW-UHFFFAOYSA-N 1 0 241.298 1.198 50 0 BDAARO [NH3+]CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000011805418 132320775 /nfs/dbraw/zinc/32/07/75/132320775.db2.gz YWWKECISHAJKMJ-UHFFFAOYSA-N 1 0 233.315 1.574 50 0 BDAARO C[NH2+]C[C@@H]1CCCN(c2cncc(C)n2)C1 ZINC000014989040 132322694 /nfs/dbraw/zinc/32/26/94/132322694.db2.gz CBRQUNBWUQBINE-NSHDSACASA-N 1 0 220.320 1.221 50 0 BDAARO Cc1cc2ccccc2nc1N1CC[NH2+]CC1 ZINC000019015137 132323992 /nfs/dbraw/zinc/32/39/92/132323992.db2.gz YUKANULGPVFVJO-UHFFFAOYSA-N 1 0 227.311 1.953 50 0 BDAARO Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000020265255 132330401 /nfs/dbraw/zinc/33/04/01/132330401.db2.gz YKKXALRLOPTYEL-UHFFFAOYSA-N 1 0 231.343 1.801 50 0 BDAARO Cc1nnc(N2CCC([NH3+])CC2)c2ccccc12 ZINC000035663627 132338765 /nfs/dbraw/zinc/33/87/65/132338765.db2.gz POWHFYGLZWXZTP-UHFFFAOYSA-N 1 0 242.326 1.866 50 0 BDAARO CC(C)[NH+]1CCN(c2ccc(N)cc2F)CC1 ZINC000036170627 132340654 /nfs/dbraw/zinc/34/06/54/132340654.db2.gz NOGFOWCYFNRFJG-UHFFFAOYSA-N 1 0 237.322 1.938 50 0 BDAARO COc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000036472586 132342317 /nfs/dbraw/zinc/34/23/17/132342317.db2.gz AFEAGBCLWMVRHF-UHFFFAOYSA-N 1 0 221.304 1.029 50 0 BDAARO CC(=O)Nc1ccccc1N1CC[NH2+]CC1 ZINC000073647911 132397977 /nfs/dbraw/zinc/39/79/77/132397977.db2.gz GQOSSOMLRYHEIG-UHFFFAOYSA-N 1 0 219.288 1.055 50 0 BDAARO CC1(C)C(NC(=O)[C@H]2CCC[NH2+]2)C1(C)C ZINC000086240714 134594679 /nfs/dbraw/zinc/59/46/79/134594679.db2.gz OTHGKSDWUQXVEG-MRVPVSSYSA-N 1 0 210.321 1.289 50 0 BDAARO CSC[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000253393598 135126861 /nfs/dbraw/zinc/12/68/61/135126861.db2.gz SJGDZAHHCYMHQE-DCAQKATOSA-N 1 0 244.404 1.571 50 0 BDAARO C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000253397307 135127048 /nfs/dbraw/zinc/12/70/48/135127048.db2.gz XOMCCNFVZYDPGH-FRRDWIJNSA-N 1 0 237.347 1.412 50 0 BDAARO COc1cc(C[NH3+])c(OC)cc1Br ZINC000083256223 398038202 /nfs/dbraw/zinc/03/82/02/398038202.db2.gz QLPHYDUVAFPRGJ-UHFFFAOYSA-N 1 0 246.104 1.925 50 0 BDAARO CN(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC000022142131 397972782 /nfs/dbraw/zinc/97/27/82/397972782.db2.gz BJWXDXKVROFRQK-UHFFFAOYSA-N 1 0 214.259 1.616 50 0 BDAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccsc1 ZINC000054460255 398098898 /nfs/dbraw/zinc/09/88/98/398098898.db2.gz MEBCKGRPCCSOIN-NSHDSACASA-N 1 0 238.356 1.962 50 0 BDAARO CC(C)=CC[NH2+][C@@H]1CCc2ncnn2C1 ZINC000075603404 398130917 /nfs/dbraw/zinc/13/09/17/398130917.db2.gz FQAMXFFWHYTSAC-SNVBAGLBSA-N 1 0 206.293 1.149 50 0 BDAARO CC(C)[NH2+]C[C@H](O)c1cc(O)cc(O)c1 ZINC000000002273 167114383 /nfs/dbraw/zinc/11/43/83/167114383.db2.gz LMOINURANNBYCM-NSHDSACASA-N 1 0 211.261 1.129 50 0 fda BDAARO CC(C)OCC[N@H+](C)C[C@H]1CCCCO1 ZINC000126081052 167230163 /nfs/dbraw/zinc/23/01/63/167230163.db2.gz SFIKUNKRTFBZKN-GFCCVEGCSA-N 1 0 215.337 1.912 50 0 BDAARO CC(C)c1nccn1CCC[NH2+][C@@H](C)CO ZINC000065507993 409994238 /nfs/dbraw/zinc/99/42/38/409994238.db2.gz KYJTWOOVPHBJQB-NSHDSACASA-N 1 0 225.336 1.367 50 0 BDAARO CC(C)(C)OC(=O)NC1(C[NH3+])CCOCC1 ZINC000095836113 166659679 /nfs/dbraw/zinc/65/96/79/166659679.db2.gz BGPVAGINRNAFSY-UHFFFAOYSA-N 1 0 230.308 1.019 50 0 BDAARO CC(C)[NH2+][C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 ZINC000223117705 167142823 /nfs/dbraw/zinc/14/28/23/167142823.db2.gz BTIVGCBELPLBOT-XJFOESAGSA-N 1 0 238.375 1.626 50 0 BDAARO CC(C)OC(=O)c1ccc(CC[NH3+])cc1 ZINC000036908876 167172336 /nfs/dbraw/zinc/17/23/36/167172336.db2.gz FMHYVYHLYOFZMS-UHFFFAOYSA-N 1 0 207.273 1.753 50 0 BDAARO CC(C)c1ccc2c(c1)[C@@H](O)[C@H]([NH3+])CCO2 ZINC000062610688 167626500 /nfs/dbraw/zinc/62/65/00/167626500.db2.gz IWSPSJWDEPDMDH-DGCLKSJQSA-N 1 0 221.300 1.953 50 0 BDAARO Cc1cnn([C@H](C)[C@H](C)[NH2+]CCn2cncn2)c1 ZINC000069489402 411179156 /nfs/dbraw/zinc/17/91/56/411179156.db2.gz VYLMRZXLOQNHSM-NWDGAFQWSA-N 1 0 248.334 1.022 50 0 BDAARO CC(C)(C)OC(=O)N1CCC(C)([NH3+])CC1 ZINC000014984313 168052758 /nfs/dbraw/zinc/05/27/58/168052758.db2.gz DMBKWEHXTOCLTC-UHFFFAOYSA-N 1 0 214.309 1.735 50 0 BDAARO CC1([NH3+])COC2(OC1)C1CC3CC(C1)CC2C3 ZINC000071196147 168053889 /nfs/dbraw/zinc/05/38/89/168053889.db2.gz WNASLDDWNNJVQZ-UHFFFAOYSA-N 1 0 237.343 1.903 50 0 BDAARO CC1=C(Cl)C(=O)O[C@]1(C)C[NH+](C)C ZINC000000085685 168087780 /nfs/dbraw/zinc/08/77/80/168087780.db2.gz GVZNWFBCWCSSKC-SECBINFHSA-N 1 0 203.669 1.376 50 0 BDAARO CC1CCC(O)(C[NH+]2CCSCC2)CC1 ZINC000089922585 168167176 /nfs/dbraw/zinc/16/71/76/168167176.db2.gz LDFQWCISTRHZDL-UHFFFAOYSA-N 1 0 229.389 1.976 50 0 BDAARO C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCCC1 ZINC000032642341 168174507 /nfs/dbraw/zinc/17/45/07/168174507.db2.gz JNXFJJKTJNRQGC-GFCCVEGCSA-N 1 0 224.348 1.729 50 0 BDAARO CC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000007636316 168182637 /nfs/dbraw/zinc/18/26/37/168182637.db2.gz NONRDJQWNCDDJR-LBPRGKRZSA-N 1 0 229.364 1.894 50 0 BDAARO CC1CC[NH+](CCc2nnc(N)s2)CC1 ZINC000004502612 168183184 /nfs/dbraw/zinc/18/31/84/168183184.db2.gz UGOZLQYAESVSLA-UHFFFAOYSA-N 1 0 226.349 1.395 50 0 BDAARO CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046239338 168228929 /nfs/dbraw/zinc/22/89/29/168228929.db2.gz AGNLOCYNLBPIEQ-UHFFFAOYSA-N 1 0 246.354 1.961 50 0 BDAARO CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000036079468 168231366 /nfs/dbraw/zinc/23/13/66/168231366.db2.gz AQFAVZHGWYDIEZ-SECBINFHSA-N 1 0 226.345 1.877 50 0 BDAARO CCC(=O)Nc1cc(C[NH3+])cc(C(=O)OC)c1 ZINC000299770335 168242873 /nfs/dbraw/zinc/24/28/73/168242873.db2.gz RYSGQCWYISMHJY-UHFFFAOYSA-N 1 0 236.271 1.280 50 0 BDAARO CC(C)[N@@H+]1CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)[O-])C1 ZINC000299761399 411488069 /nfs/dbraw/zinc/48/80/69/411488069.db2.gz KZZHFIXJEQJIAV-NWDGAFQWSA-N 1 0 242.363 1.512 50 0 BDAARO CCNC(=O)c1ccc(NC(=O)CC[NH3+])c(C)c1 ZINC000037768314 170102230 /nfs/dbraw/zinc/10/22/30/170102230.db2.gz GMSUDEBFBASHRL-UHFFFAOYSA-N 1 0 249.314 1.032 50 0 BDAARO CCOC(=O)CCCCC[NH+]1CCC(O)CC1 ZINC000071292784 170199831 /nfs/dbraw/zinc/19/98/31/170199831.db2.gz UBVPAGLGBARBNN-UHFFFAOYSA-N 1 0 243.347 1.567 50 0 BDAARO CCOC(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000044831816 170239486 /nfs/dbraw/zinc/23/94/86/170239486.db2.gz KDKYTVUHWKJCGU-UHFFFAOYSA-N 1 0 223.276 1.746 50 0 BDAARO CCOC(=O)[C@H](C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000041362852 170267914 /nfs/dbraw/zinc/26/79/14/170267914.db2.gz PFPWKIBAQQJFLR-DCAQKATOSA-N 1 0 213.321 1.916 50 0 BDAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000253392887 170269856 /nfs/dbraw/zinc/26/98/56/170269856.db2.gz ZOLCUZCTGCRQPN-USZNOCQGSA-N 1 0 243.347 1.731 50 0 BDAARO CCOC(=O)c1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000038580813 170299250 /nfs/dbraw/zinc/29/92/50/170299250.db2.gz WMAWGAIHPPOTLD-CYBMUJFWSA-N 1 0 249.310 1.994 50 0 BDAARO CCOC(=O)c1nn(CC2CC2)c2c1C[NH2+]CC2 ZINC000067833523 170309246 /nfs/dbraw/zinc/30/92/46/170309246.db2.gz CCIOOGYMOVHSIH-UHFFFAOYSA-N 1 0 249.314 1.116 50 0 BDAARO CCOCCCN(CC[NH3+])Cc1ccco1 ZINC000032919829 170371874 /nfs/dbraw/zinc/37/18/74/170371874.db2.gz AQCRTAGHKIXQCX-UHFFFAOYSA-N 1 0 226.320 1.467 50 0 BDAARO CCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106791652 170398315 /nfs/dbraw/zinc/39/83/15/170398315.db2.gz LGYDDIZMOMOBJE-WDEREUQCSA-N 1 0 201.310 1.258 50 0 BDAARO CCO[C@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1O ZINC000223473808 170505309 /nfs/dbraw/zinc/50/53/09/170505309.db2.gz JPHNPKPIHLBQHJ-AOEIMKSNSA-N 1 0 247.338 1.781 50 0 BDAARO CCc1nc(NCC[C@@H]2CCC[N@H+](C)C2)no1 ZINC000534589525 411788085 /nfs/dbraw/zinc/78/80/85/411788085.db2.gz MSBIYXNFAARWJM-JTQLQIEISA-N 1 0 238.335 1.776 50 0 BDAARO CC[C@@H]1C[N@H+](CC(C)(C)O)CCS1 ZINC000098015872 171075734 /nfs/dbraw/zinc/07/57/34/171075734.db2.gz BGHUEOCAUQMQQS-SECBINFHSA-N 1 0 203.351 1.585 50 0 BDAARO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)N(C)CC ZINC000095462636 171364738 /nfs/dbraw/zinc/36/47/38/171364738.db2.gz QLNGLKHGGCZPQR-WDEREUQCSA-N 1 0 214.353 1.879 50 0 BDAARO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1OC ZINC000003882502 171451808 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XOSYCSKDKDESBD-UHFFFAOYSA-N 1 0 200.307 1.530 50 0 BDAARO COCC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000060474197 174290036 /nfs/dbraw/zinc/29/00/36/174290036.db2.gz UKHHQYJKEGGWPE-UHFFFAOYSA-N 1 0 236.315 1.010 50 0 BDAARO COCC[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C ZINC000069819149 174309772 /nfs/dbraw/zinc/30/97/72/174309772.db2.gz VSOHXYMZIWYEBO-CYBMUJFWSA-N 1 0 249.358 1.234 50 0 BDAARO COCC[NH2+]CCOc1cc(C)ccc1C ZINC000002931635 174333213 /nfs/dbraw/zinc/33/32/13/174333213.db2.gz YFCCAOAFZBDDRA-UHFFFAOYSA-N 1 0 223.316 1.918 50 0 BDAARO COCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000082863450 174340922 /nfs/dbraw/zinc/34/09/22/174340922.db2.gz OMVFQIVPQIOFKJ-GFCCVEGCSA-N 1 0 215.337 1.554 50 0 BDAARO COCCOCCOCC[C@@H]1CCCC[NH2+]1 ZINC000042771640 174359509 /nfs/dbraw/zinc/35/95/09/174359509.db2.gz ZREYGGOZFGUDQY-LBPRGKRZSA-N 1 0 231.336 1.198 50 0 BDAARO COCCOc1ccc(F)cc1[C@H](C)[NH3+] ZINC000019873405 174368660 /nfs/dbraw/zinc/36/86/60/174368660.db2.gz RMYONGDDPZUBLO-QMMMGPOBSA-N 1 0 213.252 1.871 50 0 BDAARO COC[C@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000090890933 174548283 /nfs/dbraw/zinc/54/82/83/174548283.db2.gz YFGYGTMUPJSECE-GWCFXTLKSA-N 1 0 241.306 1.658 50 0 BDAARO COc1cc(N[C@@H]2CCC[NH2+]C2)cc(OC)c1 ZINC000043324015 175004177 /nfs/dbraw/zinc/00/41/77/175004177.db2.gz QPKNZKVCHDORJB-SNVBAGLBSA-N 1 0 236.315 1.868 50 0 BDAARO COc1cc2c(c(OC)c1OC)[C@H](C)[NH2+]CC2 ZINC000004566086 175020598 /nfs/dbraw/zinc/02/05/98/175020598.db2.gz VMFUYWSNWQYUTG-QMMMGPOBSA-N 1 0 237.299 1.919 50 0 in-vitro BDAARO COc1ccc(-c2n[nH]cc2C[NH3+])cc1 ZINC000013483541 175037883 /nfs/dbraw/zinc/03/78/83/175037883.db2.gz IYARYCHVTBTRFD-UHFFFAOYSA-N 1 0 203.245 1.544 50 0 BDAARO COc1ccc(-[n+]2cnn(C(C)(C)C)n2)cc1 ZINC000004616509 175044758 /nfs/dbraw/zinc/04/47/58/175044758.db2.gz ZPSKLWLEHXFWJG-UHFFFAOYSA-N 1 0 233.295 1.318 50 0 BDAARO COc1ccc(C2([NH3+])CCOCC2)cc1F ZINC000063077092 175084355 /nfs/dbraw/zinc/08/43/55/175084355.db2.gz OMELEVFIVOEGDI-UHFFFAOYSA-N 1 0 225.263 1.799 50 0 BDAARO COc1ccc(CN2CC[NH2+]CC2)c(OC)c1 ZINC000019552447 175099526 /nfs/dbraw/zinc/09/95/26/175099526.db2.gz CYENXNTVZNNAAI-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COc1ccc(CN2CC[NH2+]CC2)cc1OC ZINC000019735172 175099554 /nfs/dbraw/zinc/09/95/54/175099554.db2.gz ONIFCGFFEZDWSC-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COc1ccc(CN2CC[NH+](C)CC2)cc1N ZINC000021060563 175100630 /nfs/dbraw/zinc/10/06/30/175100630.db2.gz BHTYPSWTPJXAEL-UHFFFAOYSA-N 1 0 235.331 1.025 50 0 BDAARO COc1ccc(C[NH2+]C(C)(C)CO)c(OC)c1 ZINC000001705875 175106021 /nfs/dbraw/zinc/10/60/21/175106021.db2.gz VPOSPMLMNYGJRG-UHFFFAOYSA-N 1 0 239.315 1.564 50 0 BDAARO COc1ccc(OC)c(C[NH2+]C[C@@H](C)O)c1 ZINC000003882475 175165038 /nfs/dbraw/zinc/16/50/38/175165038.db2.gz KXWPNTWPSSTMTJ-SECBINFHSA-N 1 0 225.288 1.174 50 0 BDAARO COc1ccc([C@@H]2CC[NH2+]C2)cc1OC ZINC000019785220 175182605 /nfs/dbraw/zinc/18/26/05/175182605.db2.gz HQHZEQCBQADPSO-SNVBAGLBSA-N 1 0 207.273 1.781 50 0 BDAARO COc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000004298812 175244642 /nfs/dbraw/zinc/24/46/42/175244642.db2.gz RVNIFQHYLAWJDT-UHFFFAOYSA-N 1 0 234.299 1.177 50 0 BDAARO COc1cccc(C(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000041232595 175247352 /nfs/dbraw/zinc/24/73/52/175247352.db2.gz LTSCTVCRKWVZGZ-NSHDSACASA-N 1 0 219.284 1.878 50 0 BDAARO COc1cccc(CC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000041028677 175249660 /nfs/dbraw/zinc/24/96/60/175249660.db2.gz VUSDKYRJYDFQTR-LBPRGKRZSA-N 1 0 248.326 1.187 50 0 BDAARO COc1cccc(CN2CC[NH2+]CC2)c1OC ZINC000019735259 175259206 /nfs/dbraw/zinc/25/92/06/175259206.db2.gz RHKQXCFGQFIGNO-UHFFFAOYSA-N 1 0 236.315 1.109 50 0 BDAARO COc1cccc(F)c1-c1nc2c([nH]1)C[NH2+]CC2 ZINC000097307306 175273496 /nfs/dbraw/zinc/27/34/96/175273496.db2.gz WYIBVTFMTJSDCU-UHFFFAOYSA-N 1 0 247.273 1.870 50 0 BDAARO C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000019410858 176067646 /nfs/dbraw/zinc/06/76/46/176067646.db2.gz VMMVKFDXSFIKOX-MNOVXSKESA-N 1 0 210.321 1.387 50 0 BDAARO C[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000019515422 176094778 /nfs/dbraw/zinc/09/47/78/176094778.db2.gz UCMNLKPYMLZNLP-TZMCWYRMSA-N 1 0 246.354 1.815 50 0 BDAARO C[C@@H]1CCC[C@@H]2CCC[N@H+](CCOCCO)[C@H]12 ZINC000095399796 176133257 /nfs/dbraw/zinc/13/32/57/176133257.db2.gz DIQSSKRPKSIJJD-MGPQQGTHSA-N 1 0 241.375 1.896 50 0 BDAARO C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC000065516537 176154525 /nfs/dbraw/zinc/15/45/25/176154525.db2.gz DCXPJMYXEXKVNJ-LLVKDONJSA-N 1 0 212.337 1.587 50 0 BDAARO C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000084237574 176160200 /nfs/dbraw/zinc/16/02/00/176160200.db2.gz OWWPBKGSGNQMPL-RKDXNWHRSA-N 1 0 214.309 1.591 50 0 BDAARO C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC000068592961 176175251 /nfs/dbraw/zinc/17/52/51/176175251.db2.gz UMKXOVBYIBQJBM-YPMHNXCESA-N 1 0 204.317 1.856 50 0 BDAARO C[C@@H]1CC[NH2+]C[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000095627686 176185686 /nfs/dbraw/zinc/18/56/86/176185686.db2.gz GEUGTHQTDCPAHY-ZJUUUORDSA-N 1 0 228.336 1.851 50 0 BDAARO C[C@@H]1CC[C@@H](CCC(=O)N2CC[NH2+]C[C@H]2C)O1 ZINC000124871887 176202622 /nfs/dbraw/zinc/20/26/22/176202622.db2.gz CIHAPDDWBKDTFG-UTUOFQBUSA-N 1 0 240.347 1.154 50 0 BDAARO C[C@@H]1CN(C(=O)CCCc2ccccn2)CC[NH2+]1 ZINC000188426795 176245152 /nfs/dbraw/zinc/24/51/52/176245152.db2.gz XZXRUXHBLSPHEE-GFCCVEGCSA-N 1 0 247.342 1.225 50 0 BDAARO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000055087349 176255880 /nfs/dbraw/zinc/25/58/80/176255880.db2.gz NSLQYSKWKOSMSS-KKOKHZNYSA-N 1 0 240.347 1.140 50 0 BDAARO C[C@@H]1CN(C(=O)c2cccc(F)c2F)CC[NH2+]1 ZINC000088058978 176261748 /nfs/dbraw/zinc/26/17/48/176261748.db2.gz CHZCQTLEXAFKEF-MRVPVSSYSA-N 1 0 240.253 1.399 50 0 BDAARO C[C@@H]1C[N@H+](CCCCCF)CCN1CCO ZINC000253394925 176287354 /nfs/dbraw/zinc/28/73/54/176287354.db2.gz ZTIMNGDOWSAQBY-GFCCVEGCSA-N 1 0 232.343 1.125 50 0 BDAARO C[C@@H]1C[N@H+](CCCCCF)C[C@H](CO)O1 ZINC000252480673 176288686 /nfs/dbraw/zinc/28/86/86/176288686.db2.gz CCHATHHODYUEIF-GHMZBOCLSA-N 1 0 219.300 1.208 50 0 BDAARO C[C@@H]1CN(C[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000019505430 176297129 /nfs/dbraw/zinc/29/71/29/176297129.db2.gz SKVPDLVFYFCTFR-UTUOFQBUSA-N 1 0 212.337 1.238 50 0 BDAARO C[C@@H]1CN(Cc2ccc(F)cc2)CC[NH2+]1 ZINC000035904737 176304772 /nfs/dbraw/zinc/30/47/72/176304772.db2.gz NPIPCQHHNIFPQW-SNVBAGLBSA-N 1 0 208.280 1.619 50 0 BDAARO C[C@@H]1C[NH+]=C(NCc2ccncc2)S1 ZINC000003228735 176324877 /nfs/dbraw/zinc/32/48/77/176324877.db2.gz CRDIPTGKMXNOKB-MRVPVSSYSA-N 1 0 207.302 1.663 50 0 BDAARO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCCC1 ZINC000043304308 176360785 /nfs/dbraw/zinc/36/07/85/176360785.db2.gz PPTRFPMRCBHLQQ-JHJVBQTASA-N 1 0 238.375 1.975 50 0 BDAARO C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2[NH2+]1 ZINC000101264234 176449212 /nfs/dbraw/zinc/44/92/12/176449212.db2.gz XWFWZDUHQMTADY-KXUCPTDWSA-N 1 0 226.320 1.604 50 0 BDAARO C[C@@]1(c2nc(C3CC3)no2)CCC[NH2+]C1 ZINC000062871906 176548345 /nfs/dbraw/zinc/54/83/45/176548345.db2.gz ODXWKGJGMCRDPO-LLVKDONJSA-N 1 0 207.277 1.588 50 0 BDAARO C[C@H](CO)[NH2+]Cc1cccc(Br)c1 ZINC000035603813 176706160 /nfs/dbraw/zinc/70/61/60/176706160.db2.gz VUKTVOJGZQVKLB-MRVPVSSYSA-N 1 0 244.132 1.920 50 0 BDAARO C[C@H]([NH3+])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072208672 176754708 /nfs/dbraw/zinc/75/47/08/176754708.db2.gz FQUVAASUKJSNRV-VIFPVBQESA-N 1 0 228.336 1.981 50 0 BDAARO C[C@H](c1ccccc1F)N1CCC[C@H]([NH3+])C1=O ZINC000070494966 177041474 /nfs/dbraw/zinc/04/14/74/177041474.db2.gz PLGNPJNCJOZJDH-SKDRFNHKSA-N 1 0 236.290 1.836 50 0 BDAARO C[C@H]1CCCC[C@H]1OCC(=O)N1CC[C@H]([NH3+])C1 ZINC000132690551 177089905 /nfs/dbraw/zinc/08/99/05/177089905.db2.gz KYNCUGOBBODYQY-SDDRHHMPSA-N 1 0 240.347 1.141 50 0 BDAARO C[C@H]1CC[N@H+](Cc2ccc(F)cn2)[C@H]1CO ZINC000276261356 177162938 /nfs/dbraw/zinc/16/29/38/177162938.db2.gz RAKSXAJDZOBGJS-CABZTGNLSA-N 1 0 224.279 1.423 50 0 BDAARO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1O ZINC000040710729 177164688 /nfs/dbraw/zinc/16/46/88/177164688.db2.gz QRGQXVUZVXXWAG-AAEUAGOBSA-N 1 0 205.301 1.889 50 0 BDAARO C[C@H]1CN(C(=O)c2coc3ccccc23)CC[NH2+]1 ZINC000088058889 177231794 /nfs/dbraw/zinc/23/17/94/177231794.db2.gz QRBVNBMNLGDSRX-JTQLQIEISA-N 1 0 244.294 1.867 50 0 BDAARO C[C@H]1C[N@H+](C)CC[C@@]1(O)c1ccccc1 ZINC000022014555 177233614 /nfs/dbraw/zinc/23/36/14/177233614.db2.gz YRQCJPVAIPXQDQ-AAEUAGOBSA-N 1 0 205.301 1.846 50 0 BDAARO C[C@@H]1C[N@@H+](C[C@@H]2COC(C)(C)O2)C[C@H](C)O1 ZINC000012857758 177258231 /nfs/dbraw/zinc/25/82/31/177258231.db2.gz RVQLCYUNCUDMJE-OUAUKWLOSA-N 1 0 229.320 1.247 50 0 BDAARO C[C@H]1CN([C@@H](C[NH3+])c2cccs2)CCO1 ZINC000022218472 177275791 /nfs/dbraw/zinc/27/57/91/177275791.db2.gz OFMFEVBNWWMEFZ-UWVGGRQHSA-N 1 0 226.345 1.469 50 0 BDAARO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000044682154 177327771 /nfs/dbraw/zinc/32/77/71/177327771.db2.gz OGIPSHDJYIEDKG-IUCAKERBSA-N 1 0 214.309 1.733 50 0 BDAARO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CC(N)=O ZINC000076808343 177338679 /nfs/dbraw/zinc/33/86/79/177338679.db2.gz NKFVQCWJTUIPIY-GXSJLCMTSA-N 1 0 236.290 1.489 50 0 BDAARO CCc1[nH]nc(NC(=O)C[N@H+](C)C(C)C)c1C ZINC000083817386 487938078 /nfs/dbraw/zinc/93/80/78/487938078.db2.gz UZTUDQPAAQHZOW-UHFFFAOYSA-N 1 0 238.335 1.559 50 0 BDAARO CN(CC[NH+](C)C)C(=O)NCCC1CCCC1 ZINC000083851006 487947314 /nfs/dbraw/zinc/94/73/14/487947314.db2.gz BWFXUXGIKSXHFF-UHFFFAOYSA-N 1 0 241.379 1.770 50 0 BDAARO CN(Cc1ccoc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000534638545 323157029 /nfs/dbraw/zinc/15/70/29/323157029.db2.gz LOAKSDNCTXGDRT-GFCCVEGCSA-N 1 0 236.315 1.628 50 0 BDAARO COCC(=O)NC[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000534637126 323157042 /nfs/dbraw/zinc/15/70/42/323157042.db2.gz NDOHFZUNXBHXQM-NSHDSACASA-N 1 0 240.347 1.014 50 0 BDAARO COC(=O)c1ccc(NCC[NH+](C)C)c(N)c1 ZINC000041079837 323307565 /nfs/dbraw/zinc/30/75/65/323307565.db2.gz FSXHBDGNHGEPOI-UHFFFAOYSA-N 1 0 237.303 1.029 50 0 BDAARO Clc1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000072202844 487994736 /nfs/dbraw/zinc/99/47/36/487994736.db2.gz WGTVFCUKBBYBDH-LLVKDONJSA-N 1 0 210.708 1.792 50 0 BDAARO Cc1occc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000091845308 488070781 /nfs/dbraw/zinc/07/07/81/488070781.db2.gz JFERZMFGIOJGMZ-UHFFFAOYSA-N 1 0 236.315 1.930 50 0 BDAARO Cc1nc2cccnc2n1[C@H]1CC[N@@H+](C)C1 ZINC000064557087 487530598 /nfs/dbraw/zinc/53/05/98/487530598.db2.gz LQBPITQQCULERP-JTQLQIEISA-N 1 0 216.288 1.616 50 0 BDAARO C[C@H]1CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC(=O)N1 ZINC000670472087 487531091 /nfs/dbraw/zinc/53/10/91/487531091.db2.gz WCXWZJSVLWNJNQ-DRZSPHRISA-N 1 0 248.370 1.799 50 0 BDAARO c1cnc2n[nH]c([C@H]3CCC[NH2+]C3)c2c1 ZINC000019686232 487496082 /nfs/dbraw/zinc/49/60/82/487496082.db2.gz WTSKAHZLLPCUFM-QMMMGPOBSA-N 1 0 202.261 1.425 50 0 BDAARO COCC[C@@H]1CCCN(Cc2nonc2C)C1 ZINC000670460669 487512180 /nfs/dbraw/zinc/51/21/80/487512180.db2.gz UFDLWPIRKPOMCD-NSHDSACASA-N 1 0 239.319 1.627 50 0 BDAARO COC(=O)CC[N@H+](C)[C@H](C)CC(C)C ZINC000045943799 490157328 /nfs/dbraw/zinc/15/73/28/490157328.db2.gz SLFYDUXHPIDSAH-SNVBAGLBSA-N 1 0 201.310 1.916 50 0 BDAARO C[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000219858898 490580382 /nfs/dbraw/zinc/58/03/82/490580382.db2.gz IKRARZMUTGSISN-JOYOIKCWSA-N 1 0 239.388 1.881 50 0 BDAARO C[NH+](C)CCNC(=O)Nc1cnc(C2CC2)nc1 ZINC000097052069 491124511 /nfs/dbraw/zinc/12/45/11/491124511.db2.gz SYGGHHYOCKIWNY-UHFFFAOYSA-N 1 0 249.318 1.037 50 0 BDAARO C/C(=C/C(=O)N1CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000236631281 518409125 /nfs/dbraw/zinc/40/91/25/518409125.db2.gz SCRMIDDCUSBARP-KJJQSCHISA-N 1 0 248.301 1.789 50 0 BDAARO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000241316801 519602669 /nfs/dbraw/zinc/60/26/69/519602669.db2.gz LUZQYYNDCDZPIK-SDDRHHMPSA-N 1 0 242.363 1.399 50 0 BDAARO CCOCC[N@@H+]1CCN(CC=C(C)C)C[C@H]1C ZINC000247374883 519919890 /nfs/dbraw/zinc/91/98/90/519919890.db2.gz VEYFJTFHPKDFRR-CQSZACIVSA-N 1 0 240.391 1.995 50 0 BDAARO CCNc1ccnc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000248271090 520348181 /nfs/dbraw/zinc/34/81/81/520348181.db2.gz VSUUWGXKIDEHSI-NSHDSACASA-N 1 0 247.346 1.193 50 0 BDAARO CCCCN(C)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244594129 520433551 /nfs/dbraw/zinc/43/35/51/520433551.db2.gz DGVKVPFWJKEAKM-AOOOYVTPSA-N 1 0 249.362 1.500 50 0 BDAARO CCC(CC)C[NH+]1CCN(C(C)=O)CC1 ZINC000157872681 521521986 /nfs/dbraw/zinc/52/19/86/521521986.db2.gz CUPRIEZBQHXWAT-UHFFFAOYSA-N 1 0 212.337 1.587 50 0 BDAARO Cc1cccc(/C=C\C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000493357112 534577113 /nfs/dbraw/zinc/57/71/13/534577113.db2.gz RXZLSSPDQDKJDH-CFHLNLSMSA-N 1 0 230.311 1.568 50 0 BDAARO Cc1cccc(/C=C/C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000158525362 524151806 /nfs/dbraw/zinc/15/18/06/524151806.db2.gz MZSHBFAGURPGSH-HSBSLETESA-N 1 0 244.338 1.958 50 0 BDAARO Cc1ccc(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cn1 ZINC000153942069 524257201 /nfs/dbraw/zinc/25/72/01/524257201.db2.gz DJEXRYQOZOIMGU-VXGBXAGGSA-N 1 0 247.342 1.141 50 0 BDAARO C[C@H](C[NH3+])N(C)C(=O)c1cc(Cl)cn1C ZINC000179203155 524309102 /nfs/dbraw/zinc/30/91/02/524309102.db2.gz XTZCLEIDRVMGOI-SSDOTTSWSA-N 1 0 229.711 1.098 50 0 BDAARO COc1ccccc1[C@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000158118337 524808913 /nfs/dbraw/zinc/80/89/13/524808913.db2.gz RNOLUTJVBVWOSC-CMPLNLGQSA-N 1 0 248.326 1.706 50 0 BDAARO Cc1ccccc1CCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000088059034 525102065 /nfs/dbraw/zinc/10/20/65/525102065.db2.gz HCNMKQNLCACRKW-CYBMUJFWSA-N 1 0 246.354 1.748 50 0 BDAARO Cc1ccn(CC[N@@H+](C)CCc2ccccn2)n1 ZINC000244691934 525601418 /nfs/dbraw/zinc/60/14/18/525601418.db2.gz JLODBKPUBPDMTI-UHFFFAOYSA-N 1 0 244.342 1.761 50 0 BDAARO C[C@@]12C[NH2+]C[C@H]1COC(=O)N2Cc1ccccc1 ZINC000407947216 525916250 /nfs/dbraw/zinc/91/62/50/525916250.db2.gz DBECMDFGGFMQBP-GXTWGEPZSA-N 1 0 246.310 1.617 50 0 BDAARO C[C@H](CC(=O)N1CCC[C@H]([NH3+])C1)c1ccncc1 ZINC000158515707 526227417 /nfs/dbraw/zinc/22/74/17/526227417.db2.gz TZFBHEHMVJCFOR-YPMHNXCESA-N 1 0 247.342 1.525 50 0 BDAARO c1ccc(OCC[NH2+]Cc2ccncc2)nc1 ZINC000035287226 526485721 /nfs/dbraw/zinc/48/57/21/526485721.db2.gz QBIGPTDBKHQRNO-UHFFFAOYSA-N 1 0 229.283 1.645 50 0 BDAARO c1ccc(OCC[NH2+]Cc2cccnc2)nc1 ZINC000035287225 526486232 /nfs/dbraw/zinc/48/62/32/526486232.db2.gz YKJZWHOAWGXQPZ-UHFFFAOYSA-N 1 0 229.283 1.645 50 0 BDAARO [NH3+]CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000083932941 527156914 /nfs/dbraw/zinc/15/69/14/527156914.db2.gz JHCQLPZTXGKASV-GFCCVEGCSA-N 1 0 236.290 1.318 50 0 BDAARO [NH3+][C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000158192511 527346919 /nfs/dbraw/zinc/34/69/19/527346919.db2.gz MLANADUCDXKLKG-LLVKDONJSA-N 1 0 244.298 1.126 50 0 BDAARO CCCc1cnc(C)nc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065534939 535437428 /nfs/dbraw/zinc/43/74/28/535437428.db2.gz NTFUWWVWVGGZOS-BETUJISGSA-N 1 0 246.358 1.678 50 0 BDAARO CC[NH+](CC)CCOC(=O)c1ccco1 ZINC000001758046 535542035 /nfs/dbraw/zinc/54/20/35/535542035.db2.gz BAJNUCATVJHXMI-UHFFFAOYSA-N 1 0 211.261 1.778 50 0 BDAARO COc1cccc(N2CC[NH2+]CC2(C)C)c1 ZINC000019089427 537126098 /nfs/dbraw/zinc/12/60/98/537126098.db2.gz ADFATRLZAILYJA-UHFFFAOYSA-N 1 0 220.316 1.883 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@H]([NH3+])C[C@@H]1C ZINC000757208750 582559738 /nfs/dbraw/zinc/55/97/38/582559738.db2.gz DAXRXQLVNFBKKN-IMSIIYSGSA-N 1 0 244.342 1.869 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@@H]1[NH2+]CC[C@H](C)[C@H]1N ZINC000757215162 582561097 /nfs/dbraw/zinc/56/10/97/582561097.db2.gz VCEHOPBFEHPPBR-FZZIBODNSA-N 1 0 244.342 1.869 50 0 BDAARO COC(=O)c1ccc2c(c1)C[C@@H]([C@@H](C)[NH3+])CO2 ZINC000675063383 584892839 /nfs/dbraw/zinc/89/28/39/584892839.db2.gz DWECNXLLMVUDKR-LDYMZIIASA-N 1 0 235.283 1.372 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1[NH2+]CCC[C@H]1N ZINC000757213065 586439278 /nfs/dbraw/zinc/43/92/78/586439278.db2.gz NPBPLGPEEMOYOP-MFKMUULPSA-N 1 0 230.315 1.623 50 0 BDAARO Cn1cc([C@H](O)C[NH2+][C@H]2CC3CCC2CC3)cn1 ZINC000863982387 589333235 /nfs/dbraw/zinc/33/32/35/589333235.db2.gz HVLZNLSJGACVAN-DZYMPVBWSA-N 1 0 249.358 1.622 50 0 BDAARO Cn1cc([C@H](O)C[NH2+][C@@H]2CC3CCC2CC3)cn1 ZINC000863982388 589333467 /nfs/dbraw/zinc/33/34/67/589333467.db2.gz HVLZNLSJGACVAN-GVOSGWPFSA-N 1 0 249.358 1.622 50 0 BDAARO CCC[C@@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958528831 635553762 /nfs/dbraw/zinc/55/37/62/635553762.db2.gz WCYNPBGQLSMLEL-SNVBAGLBSA-N 1 0 229.320 1.162 50 0 BDAARO C[C@@H]1C[C@@H](C[NH3+])CCN1C(=O)OC(C)(C)C ZINC000084237655 635609121 /nfs/dbraw/zinc/60/91/21/635609121.db2.gz QGYMPOQFLAXXFG-ZJUUUORDSA-N 1 0 228.336 1.981 50 0 BDAARO CCN(CC)CC[N@@H+]1CCC[C@]1(C)CO ZINC000097135281 631298121 /nfs/dbraw/zinc/29/81/21/631298121.db2.gz UDZARAPHNOQNIZ-GFCCVEGCSA-N 1 0 214.353 1.175 50 0 BDAARO O[C@H]1CCCC[C@@H]1[NH+]1CCSCC1 ZINC000037693673 642434710 /nfs/dbraw/zinc/43/47/10/642434710.db2.gz RFNFOMXRJQQRMJ-UWVGGRQHSA-N 1 0 201.335 1.339 50 0 BDAARO C[C@H]1C[N@H+](C)CCN1C(=O)/C=C/c1ccccn1 ZINC000089937767 642543276 /nfs/dbraw/zinc/54/32/76/642543276.db2.gz YLFDWYRFWVYNIG-SYTKJHMZSA-N 1 0 245.326 1.257 50 0 BDAARO c1cncc([C@H]2OC[C@H](C[NH+]3CCCCC3)O2)c1 ZINC000000187182 642750923 /nfs/dbraw/zinc/75/09/23/642750923.db2.gz AJFBYQYWGNVXSV-KBPBESRZSA-N 1 0 248.326 1.982 50 0 BDAARO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000000214040 642758965 /nfs/dbraw/zinc/75/89/65/642758965.db2.gz GOLWIWIIZRUNGT-CYBMUJFWSA-N 1 0 235.327 1.879 50 0 BDAARO C[C@@H](O)C[NH+](CCc1ccccc1)C[C@@H](C)O ZINC000000761378 642804427 /nfs/dbraw/zinc/80/44/27/642804427.db2.gz XHHPEPNGSHCDHQ-CHWSQXEVSA-N 1 0 237.343 1.293 50 0 BDAARO CN(C)c1ncccc1C[NH2+]C1CCOCC1 ZINC000012714638 642824662 /nfs/dbraw/zinc/82/46/62/642824662.db2.gz PQQLQFTULDOFST-UHFFFAOYSA-N 1 0 235.331 1.416 50 0 BDAARO CC(=O)Nc1ccc(N2CCC(N)=[NH+]2)cc1C ZINC000015635794 642925133 /nfs/dbraw/zinc/92/51/33/642925133.db2.gz BJHYMEYUEZUKJW-UHFFFAOYSA-N 1 0 232.287 1.645 50 0 BDAARO Nc1ncnc(NCc2ccccc2)c1N ZINC000022204208 643537732 /nfs/dbraw/zinc/53/77/32/643537732.db2.gz NNFNFMUUXVIHFF-UHFFFAOYSA-N 1 0 215.260 1.253 50 0 BDAARO [NH3+][C@H](C1CCCC1)[C@]1(O)CCSC1 ZINC000958528164 644806076 /nfs/dbraw/zinc/80/60/76/644806076.db2.gz KEGQCYDURRXOQQ-ZJUUUORDSA-N 1 0 201.335 1.372 50 0 BDAARO [NH3+][C@@H](C1CCCC1)[C@@]1(O)CCSC1 ZINC000958528161 644806241 /nfs/dbraw/zinc/80/62/41/644806241.db2.gz KEGQCYDURRXOQQ-VHSXEESVSA-N 1 0 201.335 1.372 50 0 BDAARO [NH3+][C@@H](c1ccns1)C1(O)CC(CF)(CF)C1 ZINC000958527883 644806868 /nfs/dbraw/zinc/80/68/68/644806868.db2.gz IFZLAOWTLGCSSI-QMMMGPOBSA-N 1 0 248.298 1.593 50 0 BDAARO [NH3+][C@@H](CC1CC1)[C@@]1(O)CCCSC1 ZINC000958528847 644807205 /nfs/dbraw/zinc/80/72/05/644807205.db2.gz WOPFLJWDUSPCRF-VHSXEESVSA-N 1 0 201.335 1.372 50 0 BDAARO [NH3+][C@H](CC1CC1)[C@@]1(O)CCCSC1 ZINC000958528845 644808237 /nfs/dbraw/zinc/80/82/37/644808237.db2.gz WOPFLJWDUSPCRF-NXEZZACHSA-N 1 0 201.335 1.372 50 0 BDAARO C[C@@H](O)CNc1nc(N)cc(C(C)(C)C)[nH+]1 ZINC000888097147 711754375 /nfs/dbraw/zinc/75/43/75/711754375.db2.gz CEAMZRKPHLLECB-SSDOTTSWSA-N 1 0 224.308 1.149 50 0 BDAARO CC1(C)C[C@H](O)CC[N@@H+](C2CCOCC2)C1 ZINC000395318391 711207353 /nfs/dbraw/zinc/20/73/53/711207353.db2.gz KKFHKRGUSVOFGR-GFCCVEGCSA-N 1 0 227.348 1.648 50 0 BDAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1ccco1 ZINC000051756145 711491989 /nfs/dbraw/zinc/49/19/89/711491989.db2.gz VGRZICCDSVJTIZ-UHFFFAOYSA-N 1 0 219.288 1.952 50 0 BDAARO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000097103573 711521746 /nfs/dbraw/zinc/52/17/46/711521746.db2.gz WAHHPEMMEVDRLM-TUAOUCFPSA-N 1 0 240.347 1.189 50 0 BDAARO Cc1ccc(/C=C\C(=O)NCC[NH2+]C2CC2)o1 ZINC000700729654 712003856 /nfs/dbraw/zinc/00/38/56/712003856.db2.gz FQZXCBYFIPQPLK-SREVYHEPSA-N 1 0 234.299 1.469 50 0 BDAARO CCc1cnc(C)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000065403386 712391325 /nfs/dbraw/zinc/39/13/25/712391325.db2.gz FRIVSJIELNYEHQ-LLVKDONJSA-N 1 0 234.347 1.759 50 0 BDAARO C[C@@H](CO)[NH2+]CCN1CCc2ccccc2C1 ZINC000065404570 712391449 /nfs/dbraw/zinc/39/14/49/712391449.db2.gz JJDSKTLVLFBHKD-LBPRGKRZSA-N 1 0 234.343 1.015 50 0 BDAARO Cc1ccc2n[nH]cc2c1[C@H]1CC[NH2+]C[C@@H]1N ZINC000757213848 712583149 /nfs/dbraw/zinc/58/31/49/712583149.db2.gz RHBKAVMFHZSMQX-ONGXEEELSA-N 1 0 230.315 1.276 50 0 BDAARO