smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000019367734 187251799 /nfs/dbraw/zinc/25/17/99/187251799.db2.gz IAMOTCGZNDFBJW-UHFFFAOYSA-N 2 0 247.386 1.544 40 0 BDABRP CC[N@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414555 343400745 /nfs/dbraw/zinc/40/07/45/343400745.db2.gz MIOJMQKGNXNBQY-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP COC(=O)C[C@H](C)[NH2+]CCN1CCCCC1 ZINC000047219166 343559748 /nfs/dbraw/zinc/55/97/48/343559748.db2.gz WPRYESSFOMFQJP-NSHDSACASA-N 2 0 228.336 1.014 40 0 BDABRP C1C[NH2+]CCSCC[NH2+]CCCSC1 ZINC000068604743 187274711 /nfs/dbraw/zinc/27/47/11/187274711.db2.gz WYHVOVLITOEVDG-UHFFFAOYSA-N 2 0 234.434 1.426 40 0 BDABRP C1CC[NH+](C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC000395285239 343810324 /nfs/dbraw/zinc/81/03/24/343810324.db2.gz JQTILPJYKNBJDE-UHFFFAOYSA-N 2 0 237.391 1.299 40 0 BDABRP C[N@@H+](CCc1ccccn1)CC[C@H]1CCC[NH2+]C1 ZINC000051919411 259372160 /nfs/dbraw/zinc/37/21/60/259372160.db2.gz FPCCKTKTBHBPDX-CQSZACIVSA-N 2 0 247.386 1.946 40 0 BDABRP NNC(=[NH2+])SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000585162726 344247509 /nfs/dbraw/zinc/24/75/09/344247509.db2.gz DRDOXVYPEAAFMZ-NXEZZACHSA-N 2 0 242.392 1.382 40 0 BDABRP Cc1nc([C@@H]2CCC[NH2+]C2)cc2c[nH+]cn21 ZINC000257319378 180045364 /nfs/dbraw/zinc/04/53/64/180045364.db2.gz VSDPNTPNLOWBPP-SNVBAGLBSA-N 2 0 216.288 1.505 40 0 BDABRP [NH3+]CC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000038523919 181364426 /nfs/dbraw/zinc/36/44/26/181364426.db2.gz MXOAGBOBRDXXEO-UHFFFAOYSA-N 2 0 202.301 1.777 40 0 BDABRP [NH3+]CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000015423987 181371593 /nfs/dbraw/zinc/37/15/93/181371593.db2.gz LCZDZHSURGNZGW-UHFFFAOYSA-N 2 0 219.332 1.642 40 0 BDABRP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000242425487 259543706 /nfs/dbraw/zinc/54/37/06/259543706.db2.gz BKZOVCUXEKTPEJ-TXEJJXNPSA-N 2 0 214.353 1.530 40 0 BDABRP C[NH+](C)C[C@@H]1CCCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593635 384016933 /nfs/dbraw/zinc/01/69/33/384016933.db2.gz IFVFPEMDOGILFX-STQMWFEESA-N 2 0 240.391 1.875 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CC[NH+](CCO)C1 ZINC000079414117 384135560 /nfs/dbraw/zinc/13/55/60/384135560.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 2 0 248.370 1.433 40 0 BDABRP C[NH+](C)[C@H]1CCCC[C@H]1N(CC[NH3+])C1CC1 ZINC000079406402 384138116 /nfs/dbraw/zinc/13/81/16/384138116.db2.gz VFPRPBYSHOJXEH-QWHCGFSZSA-N 2 0 225.380 1.282 40 0 BDABRP C[N@H+](Cc1ccccc1)C1CCN(CC[NH3+])CC1 ZINC000083318808 384291188 /nfs/dbraw/zinc/29/11/88/384291188.db2.gz NIJBQOCMFKLYQI-UHFFFAOYSA-N 2 0 247.386 1.542 40 0 BDABRP C[C@@H]1CCCC[N@@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716832 384703922 /nfs/dbraw/zinc/70/39/22/384703922.db2.gz RLHFOWMKVDSTPV-SNVBAGLBSA-N 2 0 222.336 1.253 40 0 BDABRP [NH3+][C@@H]1C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000216407622 385055427 /nfs/dbraw/zinc/05/54/27/385055427.db2.gz HRHOQWHMSDKGIB-KGLIPLIRSA-N 2 0 216.328 2.000 40 0 BDABRP [NH3+]C[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000096523589 385268288 /nfs/dbraw/zinc/26/82/88/385268288.db2.gz ZRKQOUYVTVFHSG-AWEZNQCLSA-N 2 0 239.407 1.676 40 0 BDABRP [NH3+][C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000096523555 385268496 /nfs/dbraw/zinc/26/84/96/385268496.db2.gz YOZAZXAPKQMJTN-CYBMUJFWSA-N 2 0 225.380 1.286 40 0 BDABRP C[C@@H]([NH3+])CN(CC[NH+](C)C)Cc1ccccc1 ZINC000096523925 385271700 /nfs/dbraw/zinc/27/17/00/385271700.db2.gz KFHPBHBZPAETEQ-CYBMUJFWSA-N 2 0 235.375 1.397 40 0 BDABRP C(C[C@@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000034449400 386075565 /nfs/dbraw/zinc/07/55/65/386075565.db2.gz AQXWAAMFWWPWLC-LBPRGKRZSA-N 2 0 212.337 1.098 40 0 BDABRP CCN1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043601163 388612712 /nfs/dbraw/zinc/61/27/12/388612712.db2.gz QHAFTBYARMJUPG-AWEZNQCLSA-N 2 0 239.407 1.404 40 0 BDABRP C[N@@H+]1CC[C@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510467 173162916 /nfs/dbraw/zinc/16/29/16/173162916.db2.gz UUVQAPQCALPMKU-LBPRGKRZSA-N 2 0 240.734 1.322 40 0 BDABRP C[NH2+]CCN(CC[NH+](C)C)Cc1ccccc1 ZINC000096523955 173354190 /nfs/dbraw/zinc/35/41/90/173354190.db2.gz SGKVTTNVKHRBGI-UHFFFAOYSA-N 2 0 235.375 1.270 40 0 BDABRP COCC[N@H+](CCCC[NH3+])Cc1cccs1 ZINC000096523764 174290585 /nfs/dbraw/zinc/29/05/85/174290585.db2.gz CCRYFFCVDYHNPI-UHFFFAOYSA-N 2 0 242.388 1.935 40 0 BDABRP COCCNc1ccc(C[C@H]2CCC[NH2+]C2)cn1 ZINC000072386644 174341343 /nfs/dbraw/zinc/34/13/43/174341343.db2.gz HOPGJQRVJIPUPS-GFCCVEGCSA-N 2 0 249.358 1.682 40 0 BDABRP COc1ccc(CC2([NH3+])CC[NH2+]CC2)cc1 ZINC000098213859 175088174 /nfs/dbraw/zinc/08/81/74/175088174.db2.gz YPXQKTRWWGCNAY-UHFFFAOYSA-N 2 0 220.316 1.319 40 0 BDABRP CCCC[N@H+](C)C[C@@H]([NH3+])CCSC ZINC000039794811 349537111 /nfs/dbraw/zinc/53/71/11/349537111.db2.gz XYXCYZPHXHFOHR-JTQLQIEISA-N 2 0 204.383 1.799 40 0 BDABRP CCOC(=O)[C@@H](CN)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000072210499 259316718 /nfs/dbraw/zinc/31/67/18/259316718.db2.gz WZCJBBPBXGAPGC-NWDGAFQWSA-N 2 0 242.363 1.245 40 0 BDABRP c1cnc(N2CC[NH2+]CC2)c([C@@H]2CCCC[NH2+]2)c1 ZINC000072216354 259318495 /nfs/dbraw/zinc/31/84/95/259318495.db2.gz IDILNSPOVPHMCZ-ZDUSSCGKSA-N 2 0 246.358 1.306 40 0 BDABRP c1cc(N2CC[NH2+]CC2)ncc1[C@H]1CCCC[NH2+]1 ZINC000072216295 259318098 /nfs/dbraw/zinc/31/80/98/259318098.db2.gz PBXGSBWLQKLVMC-CYBMUJFWSA-N 2 0 246.358 1.306 40 0 BDABRP CC[NH+](CC)CC[C@@H](C[NH+](C)C)C(C)=O ZINC000005572982 342766303 /nfs/dbraw/zinc/76/63/03/342766303.db2.gz DBLBQOUFFYCZBL-LBPRGKRZSA-N 2 0 214.353 1.485 40 0 BDABRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH+]2C)C1 ZINC000252486988 259325958 /nfs/dbraw/zinc/32/59/58/259325958.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 2 0 226.364 1.173 40 0 BDABRP COc1ccc(CN2CCC[NH2+]CC2)c(C)c1 ZINC000096523653 187289147 /nfs/dbraw/zinc/28/91/47/187289147.db2.gz LYFFUPSWQPZWRC-UHFFFAOYSA-N 2 0 234.343 1.799 40 0 BDABRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccccn1 ZINC000096523792 187289264 /nfs/dbraw/zinc/28/92/64/187289264.db2.gz DPDULRMMHWXONP-CQSZACIVSA-N 2 0 235.375 1.929 40 0 BDABRP CC(C)[N@H+](CCN)C1CCC([NH+](C)C)CC1 ZINC000079406315 187944716 /nfs/dbraw/zinc/94/47/16/187944716.db2.gz YZOSLDGVSJWQGO-UHFFFAOYSA-N 2 0 227.396 1.528 40 0 BDABRP [NH3+]CC1CC[NH+](CCc2ccncc2)CC1 ZINC000015781968 181364763 /nfs/dbraw/zinc/36/47/63/181364763.db2.gz YHZKEGRGKHWNQJ-UHFFFAOYSA-N 2 0 219.332 1.295 40 0 BDABRP CC[NH+]1CCN(c2cc(C)c(C[NH2+]C)cn2)CC1 ZINC000072223640 259532579 /nfs/dbraw/zinc/53/25/79/259532579.db2.gz FYERMGVIIMLMIB-UHFFFAOYSA-N 2 0 248.374 1.251 40 0 BDABRP [NH3+]CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702337 181399179 /nfs/dbraw/zinc/39/91/79/181399179.db2.gz VPLOUQLMYCNBOS-CYBMUJFWSA-N 2 0 220.316 1.236 40 0 BDABRP C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607259 259541006 /nfs/dbraw/zinc/54/10/06/259541006.db2.gz VFJQQDKNVMXPLG-CMPLNLGQSA-N 2 0 208.280 1.430 40 0 BDABRP CC[NH+]1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000020073826 371226597 /nfs/dbraw/zinc/22/65/97/371226597.db2.gz SJOMSWXJOFMPEU-OAHLLOKOSA-N 2 0 247.386 1.194 40 0 BDABRP CCC[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000020073824 169203260 /nfs/dbraw/zinc/20/32/60/169203260.db2.gz CJNBIPLPZOPQGP-UHFFFAOYSA-N 2 0 239.407 1.676 40 0 BDABRP CN(CC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054417038 383842970 /nfs/dbraw/zinc/84/29/70/383842970.db2.gz MZQKEWUMXPKZHI-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP C[NH+](C)CCCSCCC[NH+](C)C ZINC000001691456 383923342 /nfs/dbraw/zinc/92/33/42/383923342.db2.gz ZPQHMXNVQKBZQW-UHFFFAOYSA-N 2 0 204.383 1.623 40 0 BDABRP C[NH+](C)C[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C[NH+](C)C ZINC000005179423 384106667 /nfs/dbraw/zinc/10/66/67/384106667.db2.gz DXCLHMIULSJBIZ-RNJOBUHISA-N 2 0 208.349 1.548 40 0 BDABRP CN(CC[NH3+])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393560 384132486 /nfs/dbraw/zinc/13/24/86/384132486.db2.gz HMTWBNWPPYHXGB-HNNXBMFYSA-N 2 0 247.386 1.399 40 0 BDABRP CC[NH+](CC)[C@@](C)(CC)[C@@H](C[NH3+])CO ZINC000072210354 384154096 /nfs/dbraw/zinc/15/40/96/384154096.db2.gz MLFOMDOARNOWFZ-QWRGUYRKSA-N 2 0 202.342 1.064 40 0 BDABRP C(C[NH+]1CCCC1)OCC1CC[NH2+]CC1 ZINC000051814940 384685354 /nfs/dbraw/zinc/68/53/54/384685354.db2.gz YLDJMNFQDUEVHZ-UHFFFAOYSA-N 2 0 212.337 1.098 40 0 BDABRP CC[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486509 384892395 /nfs/dbraw/zinc/89/23/95/384892395.db2.gz KKBBBUBRGOOPKF-MWLCHTKSSA-N 2 0 234.347 1.903 40 0 BDABRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC000107745730 384997511 /nfs/dbraw/zinc/99/75/11/384997511.db2.gz RHPXRZWAHORCFY-RTCCRHLQSA-N 2 0 208.330 1.385 40 0 BDABRP Cc1cc(C)cc(C[N@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)c1 ZINC000107745749 384997601 /nfs/dbraw/zinc/99/76/01/384997601.db2.gz FCENSDPJCKIYCY-QDMKHBRRSA-N 2 0 230.355 1.940 40 0 BDABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000107745744 384998541 /nfs/dbraw/zinc/99/85/41/384998541.db2.gz CFGGBMREHKLJTB-CLLJXQQHSA-N 2 0 220.291 1.462 40 0 BDABRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cnccn1 ZINC000072203966 385058613 /nfs/dbraw/zinc/05/86/13/385058613.db2.gz HIEXWEJLWGKLEO-SNVBAGLBSA-N 2 0 220.320 1.127 40 0 BDABRP CC[NH+](CC)[C@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210339 385066684 /nfs/dbraw/zinc/06/66/84/385066684.db2.gz FYOOYRIPBTWIDE-ZIAGYGMSSA-N 2 0 236.359 1.637 40 0 BDABRP CC[NH+]1CCN(c2ccc(C[NH2+]C)c(C)n2)CC1 ZINC000072224685 385118445 /nfs/dbraw/zinc/11/84/45/385118445.db2.gz PCDDLSINADPHQT-UHFFFAOYSA-N 2 0 248.374 1.251 40 0 BDABRP COc1ccc([C@H]2C[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000216409195 385140797 /nfs/dbraw/zinc/14/07/97/385140797.db2.gz HKMUZIJDOFHNOP-WCQYABFASA-N 2 0 220.316 1.299 40 0 BDABRP CC(C)[C@H]([NH3+])CC[NH+]1CCSCC1 ZINC000096523812 385267439 /nfs/dbraw/zinc/26/74/39/385267439.db2.gz DXIGWFIQTGTOTQ-SNVBAGLBSA-N 2 0 202.367 1.409 40 0 BDABRP CCn1cc(C[N@H+](CC)CCCC[NH3+])c(C)n1 ZINC000096523768 385267817 /nfs/dbraw/zinc/26/78/17/385267817.db2.gz SXPVZWBGFHIWHG-UHFFFAOYSA-N 2 0 238.379 1.772 40 0 BDABRP CN(C)c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000096523629 385268971 /nfs/dbraw/zinc/26/89/71/385268971.db2.gz DMCWLLGHZNCIFC-UHFFFAOYSA-N 2 0 247.386 1.923 40 0 BDABRP [NH3+][C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000096523554 385269448 /nfs/dbraw/zinc/26/94/48/385269448.db2.gz YOZAZXAPKQMJTN-ZDUSSCGKSA-N 2 0 225.380 1.286 40 0 BDABRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000218874671 386424154 /nfs/dbraw/zinc/42/41/54/386424154.db2.gz WJGVXTQYDKCYTE-WDEREUQCSA-N 2 0 210.346 1.760 40 0 BDABRP Cc1ccc([C@H]2C[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000242687741 388400520 /nfs/dbraw/zinc/40/05/20/388400520.db2.gz UTTGTIYNDWGBEC-CHWSQXEVSA-N 2 0 204.317 1.599 40 0 BDABRP CC(C)OCCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000218873970 167226536 /nfs/dbraw/zinc/22/65/36/167226536.db2.gz ARDDYTTVTDFFBK-MNOVXSKESA-N 2 0 200.326 1.271 40 0 BDABRP COc1cccc(CC[NH+]2CCC(C[NH3+])CC2)c1 ZINC000096523627 175251550 /nfs/dbraw/zinc/25/15/50/175251550.db2.gz IGPOWZIEHBXGBB-UHFFFAOYSA-N 2 0 248.370 1.908 40 0 BDABRP CCOc1ccccc1C[NH2+]CCC[NH3+] ZINC000037713081 323108071 /nfs/dbraw/zinc/10/80/71/323108071.db2.gz BQYAWNCKOWYDHS-UHFFFAOYSA-N 2 0 208.305 1.524 40 0 BDABRP Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](C)C2)[nH+]1 ZINC000072386357 178095392 /nfs/dbraw/zinc/09/53/92/178095392.db2.gz ZGYUSKAEGQDCLW-LLVKDONJSA-N 2 0 219.332 1.875 40 0 BDABRP CC[NH+](CC)CCC[NH2+]C[C@H](C)C(=O)OC ZINC000035133631 343286111 /nfs/dbraw/zinc/28/61/11/343286111.db2.gz BVRODSRQGJBALS-NSHDSACASA-N 2 0 230.352 1.117 40 0 BDABRP C[N@@H+](CCc1ccccn1)CCC1CC[NH2+]CC1 ZINC000038076082 343654873 /nfs/dbraw/zinc/65/48/73/343654873.db2.gz CLLMAUXJHMPAAR-UHFFFAOYSA-N 2 0 247.386 1.946 40 0 BDABRP CN1CC[NH2+]C[C@@H](COCc2ccccc2)C1 ZINC000072343644 187276348 /nfs/dbraw/zinc/27/63/48/187276348.db2.gz XCJWQFPPLRMKPF-CQSZACIVSA-N 2 0 234.343 1.354 40 0 BDABRP Cc1cc(C)cc(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000025724500 187320094 /nfs/dbraw/zinc/32/00/94/187320094.db2.gz CPKDPKIXTPQUFG-UHFFFAOYSA-N 2 0 205.265 1.133 40 0 BDABRP C[C@H]([NH3+])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000037608816 350273674 /nfs/dbraw/zinc/27/36/74/350273674.db2.gz HDAJSXZPZQWEHC-AWEZNQCLSA-N 2 0 247.386 1.542 40 0 BDABRP C[NH+](C)[C@@H]1CCC[N@H+](CC2(C)COC2)CC1 ZINC000429531330 201112715 /nfs/dbraw/zinc/11/27/15/201112715.db2.gz RIAQFVBCUFZUSM-GFCCVEGCSA-N 2 0 226.364 1.439 40 0 BDABRP [NH3+]CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000096523634 181364777 /nfs/dbraw/zinc/36/47/77/181364777.db2.gz FBHOSMFLAKXJEB-UHFFFAOYSA-N 3 0 239.407 1.533 40 0 BDABRP Cc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088287571 383893542 /nfs/dbraw/zinc/89/35/42/383893542.db2.gz GDXVBWQLDBXIMD-ZIAGYGMSSA-N 2 0 216.328 1.646 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407001 384138177 /nfs/dbraw/zinc/13/81/77/384138177.db2.gz REBNPYJAAIJZKA-VXGBXAGGSA-N 2 0 241.379 1.055 40 0 BDABRP [NH3+][C@H]1C[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000076645998 384233494 /nfs/dbraw/zinc/23/34/94/384233494.db2.gz HRHOQWHMSDKGIB-KBPBESRZSA-N 2 0 216.328 2.000 40 0 BDABRP c1cncc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000082546185 384307990 /nfs/dbraw/zinc/30/79/90/384307990.db2.gz YWWQUBWDNCVHST-UHFFFAOYSA-N 2 0 231.343 1.657 40 0 BDABRP Cc1cc([C@H](C)[NH3+])cnc1N1CC[NH+](C)CC1 ZINC000072222566 385109969 /nfs/dbraw/zinc/10/99/69/385109969.db2.gz ONINHSPBRLVUOS-NSHDSACASA-N 2 0 234.347 1.162 40 0 BDABRP CC[C@H]([NH3+])c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223609 385115383 /nfs/dbraw/zinc/11/53/83/385115383.db2.gz VYWCIOIEERXUSL-ZDUSSCGKSA-N 2 0 248.374 1.552 40 0 BDABRP C[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216328 385094831 /nfs/dbraw/zinc/09/48/31/385094831.db2.gz UHUYXOXQPORYMN-ZDUSSCGKSA-N 2 0 246.358 1.258 40 0 BDABRP c1cc(N2CC[NH2+]CC2)ncc1C1=[NH+]CCCC1 ZINC000072216293 385095175 /nfs/dbraw/zinc/09/51/75/385095175.db2.gz RUABMBBZXVQYOD-UHFFFAOYSA-N 2 0 244.342 1.464 40 0 BDABRP Cc1nn(C)cc1C[N@H+](C)CCCCCC[NH3+] ZINC000096523737 385266933 /nfs/dbraw/zinc/26/69/33/385266933.db2.gz ARPLQCLUNCBOJH-UHFFFAOYSA-N 2 0 238.379 1.679 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000096523967 385270789 /nfs/dbraw/zinc/27/07/89/385270789.db2.gz PKZJXTQSBPXKCW-KBPBESRZSA-N 2 0 241.423 1.778 40 0 BDABRP C[C@@H]([NH3+])CC[N@@H+]1CCc2ccccc2C1 ZINC000037401867 385642223 /nfs/dbraw/zinc/64/22/23/385642223.db2.gz BNCZXIZSYAGCLA-LLVKDONJSA-N 2 0 204.317 1.782 40 0 BDABRP CC[C@@H](C)[C@@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190181 385821889 /nfs/dbraw/zinc/82/18/89/385821889.db2.gz DDZMFNXEGLFZQJ-OLZOCXBDSA-N 2 0 227.396 1.386 40 0 BDABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218870519 386352738 /nfs/dbraw/zinc/35/27/38/386352738.db2.gz PKAFNOZHKZAREC-OLZOCXBDSA-N 2 0 204.317 1.699 40 0 BDABRP CC[NH+](CC)[C@](C)(CC)[C@@H](C[NH3+])CO ZINC000072210355 322906051 /nfs/dbraw/zinc/90/60/51/322906051.db2.gz MLFOMDOARNOWFZ-WDEREUQCSA-N 2 0 202.342 1.064 40 0 BDABRP CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1[NH3+] ZINC000218857060 167224393 /nfs/dbraw/zinc/22/43/93/167224393.db2.gz WEZFGFVFJDXANV-NWDGAFQWSA-N 2 0 214.353 1.661 40 0 BDABRP CC[C@H](C)[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073303 171396486 /nfs/dbraw/zinc/39/64/86/171396486.db2.gz WOLISEURCOIINU-WCQYABFASA-N 2 0 227.396 1.386 40 0 BDABRP C[NH+]1CCC[C@H]1CC(O)C[C@@H]1CCC[N@H+]1C ZINC000015043520 173049473 /nfs/dbraw/zinc/04/94/73/173049473.db2.gz UOJNOOLFFFFKNA-RYUDHWBXSA-N 2 0 226.364 1.316 40 0 in-vitro BDABRP C[N@@H+]1CC[C@@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510468 173136814 /nfs/dbraw/zinc/13/68/14/173136814.db2.gz UUVQAPQCALPMKU-GFCCVEGCSA-N 2 0 240.734 1.322 40 0 BDABRP C[NH2+]CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000057362418 173349960 /nfs/dbraw/zinc/34/99/60/173349960.db2.gz UOKZNFCQBALTDC-UHFFFAOYSA-N 2 0 238.331 1.403 40 0 BDABRP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000218873279 175091823 /nfs/dbraw/zinc/09/18/23/175091823.db2.gz DBCVSLJONOHOAC-ZIAGYGMSSA-N 2 0 234.343 1.707 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000247988538 519632099 /nfs/dbraw/zinc/63/20/99/519632099.db2.gz JTCDTDLLVHAHFF-HAQNSBGRSA-N 2 0 214.353 1.220 40 0 BDABRP CC[NH+](CC)CCC[NH2+][C@H](C)CC(=O)OC ZINC000035748328 343303573 /nfs/dbraw/zinc/30/35/73/343303573.db2.gz PNJXAWZCKGXWGB-LLVKDONJSA-N 2 0 230.352 1.260 40 0 BDABRP Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(C[NH3+])C1 ZINC000096509110 343755032 /nfs/dbraw/zinc/75/50/32/343755032.db2.gz JPMMLTFQAWZREU-KBPBESRZSA-N 2 0 216.328 1.776 40 0 BDABRP [NH3+]C1(Cc2cccc(Cl)c2)CC[NH2+]CC1 ZINC000098213809 181331948 /nfs/dbraw/zinc/33/19/48/181331948.db2.gz GHSVXMVRGVZHAS-UHFFFAOYSA-N 2 0 224.735 1.963 40 0 BDABRP C[NH+]1CCN(c2ncccc2[C@H]2CCC[NH2+]2)CC1 ZINC000072216565 259528290 /nfs/dbraw/zinc/52/82/90/259528290.db2.gz WBKGAXLFHIQAHS-CYBMUJFWSA-N 2 0 246.358 1.258 40 0 BDABRP [NH3+]CCO[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390677 181399325 /nfs/dbraw/zinc/39/93/25/181399325.db2.gz WDWMGBAELVWZKR-CQSZACIVSA-N 2 0 234.343 1.626 40 0 BDABRP NNC(=[NH2+])SC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000020459199 371284827 /nfs/dbraw/zinc/28/48/27/371284827.db2.gz DRDOXVYPEAAFMZ-ZJUUUORDSA-N 2 0 242.392 1.382 40 0 BDABRP CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1CC[C@@H]([NH3+])CC1 ZINC000242750692 372291930 /nfs/dbraw/zinc/29/19/30/372291930.db2.gz ZWDZXQXFUGOWAX-AEJSXWLSSA-N 2 0 228.336 1.173 40 0 BDABRP Cc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287573 383892919 /nfs/dbraw/zinc/89/29/19/383892919.db2.gz GDXVBWQLDBXIMD-KBPBESRZSA-N 2 0 216.328 1.646 40 0 BDABRP CCCC[N@H+](CC)C[C@H](O)C[NH2+]C1CC1 ZINC000034978515 384009530 /nfs/dbraw/zinc/00/95/30/384009530.db2.gz HFRCFHDXTUFJHP-GFCCVEGCSA-N 2 0 214.353 1.221 40 0 BDABRP CN(CC[NH3+])C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393559 384133879 /nfs/dbraw/zinc/13/38/79/384133879.db2.gz MQWADTJLUBHZJT-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP CCN(CC[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406244 384135934 /nfs/dbraw/zinc/13/59/34/384135934.db2.gz ZYHPYFWBANWSIC-RYUDHWBXSA-N 2 0 213.369 1.140 40 0 BDABRP OCC[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393480 384132199 /nfs/dbraw/zinc/13/21/99/384132199.db2.gz FRALCQXAZQYWSC-OAHLLOKOSA-N 2 0 248.370 1.481 40 0 BDABRP CC(C)[N@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178518 384279052 /nfs/dbraw/zinc/27/90/52/384279052.db2.gz YZOSLDGVSJWQGO-BETUJISGSA-N 2 0 227.396 1.528 40 0 BDABRP C[C@H]1CCCC[N@@H+]1Cc1c(C[NH3+])cnn1C ZINC000408716831 384704922 /nfs/dbraw/zinc/70/49/22/384704922.db2.gz RLHFOWMKVDSTPV-JTQLQIEISA-N 2 0 222.336 1.253 40 0 BDABRP Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)cc1 ZINC000107745739 384996673 /nfs/dbraw/zinc/99/66/73/384996673.db2.gz AJIBZSLAFUCEHU-BTTYYORXSA-N 2 0 216.328 1.632 40 0 BDABRP [NH3+]C[C@H](CO)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210383 385067195 /nfs/dbraw/zinc/06/71/95/385067195.db2.gz NLYYVFLHYCIAEN-CYBMUJFWSA-N 2 0 240.391 1.742 40 0 BDABRP CC(C)COc1cccc(CNCC[NH3+])c1 ZINC000072226466 385126470 /nfs/dbraw/zinc/12/64/70/385126470.db2.gz RKQHSDZRBRKPBP-UHFFFAOYSA-N 2 0 222.332 1.770 40 0 BDABRP C[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216268 385093589 /nfs/dbraw/zinc/09/35/89/385093589.db2.gz UJMFGEGRNLZGBF-ZDUSSCGKSA-N 2 0 246.358 1.258 40 0 BDABRP CCC[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000036873563 385588065 /nfs/dbraw/zinc/58/80/65/385588065.db2.gz SAUZLKOYTUYNMK-LLVKDONJSA-N 2 0 213.369 1.140 40 0 BDABRP [NH3+]Cc1ccccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000238856168 386536881 /nfs/dbraw/zinc/53/68/81/386536881.db2.gz VEXQRCFMXSEIPC-ZDUSSCGKSA-N 2 0 231.343 1.430 40 0 BDABRP CN1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000242548014 388399653 /nfs/dbraw/zinc/39/96/53/388399653.db2.gz KYWJTCUABCJGMW-CYBMUJFWSA-N 2 0 225.380 1.014 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225712373 388841478 /nfs/dbraw/zinc/84/14/78/388841478.db2.gz KWKSPPXNVDHOGF-KBPBESRZSA-N 2 0 239.407 1.545 40 0 BDABRP CN1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918916 173014057 /nfs/dbraw/zinc/01/40/57/173014057.db2.gz KYWJTCUABCJGMW-ZDUSSCGKSA-N 2 0 225.380 1.014 40 0 BDABRP C[N@@H+]1CCC[NH2+]CCCSCCC1 ZINC000068604479 173019418 /nfs/dbraw/zinc/01/94/18/173019418.db2.gz HSIIRPVBYZDPHT-UHFFFAOYSA-N 2 0 202.367 1.425 40 0 BDABRP C[C@@H](c1cnccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000070026269 176035511 /nfs/dbraw/zinc/03/55/11/176035511.db2.gz LXRCXECBVRJRIV-JTQLQIEISA-N 2 0 220.320 1.208 40 0 BDABRP CCN(CC[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000242750739 521045154 /nfs/dbraw/zinc/04/51/54/521045154.db2.gz ZYHPYFWBANWSIC-NEPJUHHUSA-N 2 0 213.369 1.140 40 0 BDABRP Cc1cc(C[NH3+])cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222659 259320896 /nfs/dbraw/zinc/32/08/96/259320896.db2.gz QDRSHERHWYNRMG-UHFFFAOYSA-N 2 0 248.374 1.379 40 0 BDABRP c1cc[n+]2c(c1)-c1cccc[n+]1CC=CC2 ZINC000018267943 342936115 /nfs/dbraw/zinc/93/61/15/342936115.db2.gz NMBZGYUDPXTYAT-UHFFFAOYSA-N 2 0 210.280 1.498 40 0 BDABRP COC(=O)C[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000047219167 343559822 /nfs/dbraw/zinc/55/98/22/343559822.db2.gz WPRYESSFOMFQJP-LLVKDONJSA-N 2 0 228.336 1.014 40 0 BDABRP [NH3+]CC(F)(C[NH3+])CCOCc1ccccc1 ZINC000585142623 343876941 /nfs/dbraw/zinc/87/69/41/343876941.db2.gz PSARMYKJBYHSKO-UHFFFAOYSA-N 2 0 226.295 1.219 40 0 BDABRP C1=CC2(CC[NH2+]CC2)CC[C@@H]1N1CCOCC1 ZINC000096240268 187288467 /nfs/dbraw/zinc/28/84/67/187288467.db2.gz IFUDTPWKCXRDOX-CYBMUJFWSA-N 2 0 236.359 1.407 40 0 BDABRP C(C1CCCC1)N1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC000096049036 187288639 /nfs/dbraw/zinc/28/86/39/187288639.db2.gz ZUAYPYNRKUPFHA-CQSZACIVSA-N 2 0 238.375 1.631 40 0 BDABRP C(C1CCCCC1)N1C[C@H]2CC[NH2+][C@H]2C1 ZINC000096081385 187289033 /nfs/dbraw/zinc/28/90/33/187289033.db2.gz UTIYEFQVIWISQD-OLZOCXBDSA-N 2 0 208.349 1.860 40 0 BDABRP CN(C[C@@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019439098 355334418 /nfs/dbraw/zinc/33/44/18/355334418.db2.gz KOQVTDASENOHDO-LBPRGKRZSA-N 2 0 225.380 1.155 40 0 BDABRP CCN1CC[NH+](CC2CCC(C[NH3+])CC2)CC1 ZINC000093426157 357673008 /nfs/dbraw/zinc/67/30/08/357673008.db2.gz UCYFUUPRSKEMLB-UHFFFAOYSA-N 2 0 239.407 1.389 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2cccnc2)CC1 ZINC000019843462 181365493 /nfs/dbraw/zinc/36/54/93/181365493.db2.gz LTMAFJBAIYNKGJ-UHFFFAOYSA-N 2 0 205.305 1.252 40 0 BDABRP C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607304 259540970 /nfs/dbraw/zinc/54/09/70/259540970.db2.gz WZBGXWRNEQOOCJ-ZYHUDNBSSA-N 2 0 224.735 1.944 40 0 BDABRP CC[NH+]1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000019852588 371194198 /nfs/dbraw/zinc/19/41/98/371194198.db2.gz SJOMSWXJOFMPEU-HNNXBMFYSA-N 2 0 247.386 1.194 40 0 BDABRP CCC[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000019511010 169203432 /nfs/dbraw/zinc/20/34/32/169203432.db2.gz KIAOEGAODJCSGQ-ZDUSSCGKSA-N 2 0 225.380 1.156 40 0 BDABRP C[N@@H+]1CCCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000034676261 383983177 /nfs/dbraw/zinc/98/31/77/383983177.db2.gz OVAIXYYSKZKZNO-OAHLLOKOSA-N 2 0 247.386 1.194 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000079407263 384135485 /nfs/dbraw/zinc/13/54/85/384135485.db2.gz KEBPBVLTDLEJFZ-QJPTWQEYSA-N 2 0 241.379 1.055 40 0 BDABRP C[NH+](C)C1CCC([N@H+](CCN)C2CC2)CC1 ZINC000079406386 384136460 /nfs/dbraw/zinc/13/64/60/384136460.db2.gz NLGHULVJSHLZHJ-UHFFFAOYSA-N 2 0 225.380 1.282 40 0 BDABRP CC(C)[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000036190207 384181851 /nfs/dbraw/zinc/18/18/51/384181851.db2.gz QFMABRIWXQTFSB-CYBMUJFWSA-N 2 0 225.380 1.155 40 0 BDABRP CC[NH+]1CCN(c2cc(C)c([C@H](C)[NH3+])cn2)CC1 ZINC000072223634 385116123 /nfs/dbraw/zinc/11/61/23/385116123.db2.gz CBXRLLYUAAFEFE-LBPRGKRZSA-N 2 0 248.374 1.552 40 0 BDABRP [NH3+][C@@H]1CCO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096510434 385250170 /nfs/dbraw/zinc/25/01/70/385250170.db2.gz RAIBDTZTWBNGRW-CABCVRRESA-N 2 0 246.354 1.769 40 0 BDABRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccncc1 ZINC000096523803 385266737 /nfs/dbraw/zinc/26/67/37/385266737.db2.gz SJQAOXUODUHFOW-AWEZNQCLSA-N 2 0 235.375 1.929 40 0 BDABRP CC[C@H](C)[C@@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190183 385822159 /nfs/dbraw/zinc/82/21/59/385822159.db2.gz DDZMFNXEGLFZQJ-STQMWFEESA-N 2 0 227.396 1.386 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@H]2CCC[C@H]21 ZINC000218842165 169777394 /nfs/dbraw/zinc/77/73/94/169777394.db2.gz PDUDSHLNNBVZFM-QWHCGFSZSA-N 2 0 225.380 1.155 40 0 BDABRP C[NH2+]CCN1CC[NH+](C2CCCCC2)CC1 ZINC000096523953 173354513 /nfs/dbraw/zinc/35/45/13/173354513.db2.gz GOYFPVRIKWIALU-UHFFFAOYSA-N 2 0 225.380 1.156 40 0 BDABRP C[NH2+]C[C@H]1C[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509388 173382959 /nfs/dbraw/zinc/38/29/59/173382959.db2.gz GGQRXWZCRLVXAI-CABCVRRESA-N 2 0 230.355 1.900 40 0 BDABRP COCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000050953219 174275279 /nfs/dbraw/zinc/27/52/79/174275279.db2.gz DBFKYYJTCHCDRN-UHFFFAOYSA-N 2 0 214.353 1.344 40 0 BDABRP COc1ccc(NC[C@H]2C[C@H]2C[NH3+])cc1 ZINC000096509432 175151778 /nfs/dbraw/zinc/15/17/78/175151778.db2.gz AYYUYSZJLIVLND-VHSXEESVSA-N 2 0 206.289 1.702 40 0 BDABRP CC(C)[N@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000248061429 519646394 /nfs/dbraw/zinc/64/63/94/519646394.db2.gz YZOSLDGVSJWQGO-JOCQHMNTSA-N 2 0 227.396 1.528 40 0 BDABRP CC(C)[N@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242463455 519649412 /nfs/dbraw/zinc/64/94/12/519649412.db2.gz DBMZECQYIOLMJZ-JOCQHMNTSA-N 2 0 228.380 1.562 40 0 BDABRP CC[C@@]1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C)cc1 ZINC000003074580 536071031 /nfs/dbraw/zinc/07/10/31/536071031.db2.gz HSZXJTXNPGKAHV-ZDUSSCGKSA-N 2 0 245.330 1.571 40 0 BDABRP CC[NH+](CC)CC[C@H](C[NH+](C)C)[C@H](C)O ZINC000001717658 342710839 /nfs/dbraw/zinc/71/08/39/342710839.db2.gz LOIMWVSZLNMMQJ-NWDGAFQWSA-N 2 0 216.369 1.277 40 0 BDABRP C[N@H+]1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112994 344137214 /nfs/dbraw/zinc/13/72/14/344137214.db2.gz ZOVOAWKHNZSQPQ-ZDUSSCGKSA-N 2 0 234.347 1.356 40 0 BDABRP CC[C@@H](C)[C@@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083664 259374137 /nfs/dbraw/zinc/37/41/37/259374137.db2.gz VAHUKHUVWIYUCA-KGLIPLIRSA-N 2 0 241.423 1.633 40 0 BDABRP Cc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH3+])C1 ZINC000216531120 179277334 /nfs/dbraw/zinc/27/73/34/179277334.db2.gz JPMMLTFQAWZREU-ZIAGYGMSSA-N 2 0 216.328 1.776 40 0 BDABRP Cc1nn(C)cc1C[N@H+](C)CC1CC[NH2+]CC1 ZINC000096523716 180372142 /nfs/dbraw/zinc/37/21/42/180372142.db2.gz XSZFMKDGOVOAIX-UHFFFAOYSA-N 2 0 236.363 1.160 40 0 BDABRP CC(C)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000055079592 369124386 /nfs/dbraw/zinc/12/43/86/369124386.db2.gz XQKLOHLFZXGFHG-AWEZNQCLSA-N 2 0 239.407 1.260 40 0 BDABRP CN(CC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054417029 383842491 /nfs/dbraw/zinc/84/24/91/383842491.db2.gz WWURKPADSHUWHP-CQSZACIVSA-N 2 0 233.359 1.151 40 0 BDABRP C[NH+](C)C[C@H]1CCCCC[C@@H](C[NH+](C)C)C1=O ZINC000001670770 383921508 /nfs/dbraw/zinc/92/15/08/383921508.db2.gz IFVFPEMDOGILFX-BETUJISGSA-N 2 0 240.391 1.875 40 0 BDABRP C[N@H+](CCO)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393490 384132998 /nfs/dbraw/zinc/13/29/98/384132998.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 2 0 248.370 1.433 40 0 BDABRP C[C@H](NCC[NH+](C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000019365137 384516438 /nfs/dbraw/zinc/51/64/38/384516438.db2.gz ZLWXLJFFWVRCEU-IHRRRGAJSA-N 2 0 239.407 1.401 40 0 BDABRP CC[NH+](CC)[C@](C)(CC)[C@H](C[NH3+])CO ZINC000072210357 385067368 /nfs/dbraw/zinc/06/73/68/385067368.db2.gz MLFOMDOARNOWFZ-GHMZBOCLSA-N 2 0 202.342 1.064 40 0 BDABRP C[C@H]([NH3+])CN1CC[NH+](C2CCCCC2)CC1 ZINC000096523920 385271651 /nfs/dbraw/zinc/27/16/51/385271651.db2.gz IBJRJHHMBZHDJN-LBPRGKRZSA-N 2 0 225.380 1.284 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000096524007 385271907 /nfs/dbraw/zinc/27/19/07/385271907.db2.gz HRLYLANALXBHPU-AWEZNQCLSA-N 2 0 239.407 1.546 40 0 BDABRP C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000095097501 385434550 /nfs/dbraw/zinc/43/45/50/385434550.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 2 0 226.364 1.173 40 0 BDABRP Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH3+])C2)cc1 ZINC000216531013 385867224 /nfs/dbraw/zinc/86/72/24/385867224.db2.gz KLKXQMSUZMOTNO-ZIAGYGMSSA-N 2 0 216.328 1.776 40 0 BDABRP C[NH+]1CCC(N2CC[NH2+][C@H]3CCCC[C@H]32)CC1 ZINC000218835290 386157380 /nfs/dbraw/zinc/15/73/80/386157380.db2.gz WEDOSQOFDUQFFJ-UONOGXRCSA-N 2 0 237.391 1.297 40 0 BDABRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC000247634475 386726616 /nfs/dbraw/zinc/72/66/16/386726616.db2.gz DADZZUVKEHQCEL-XYYAHUGASA-N 2 0 236.746 1.977 40 0 BDABRP C[N@H+](CCCCC[NH3+])CCc1ccncc1 ZINC000049580744 386797535 /nfs/dbraw/zinc/79/75/35/386797535.db2.gz QITRDDQMNJELMK-UHFFFAOYSA-N 2 0 221.348 1.685 40 0 BDABRP [NH3+]Cc1ccccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000020352340 132331499 /nfs/dbraw/zinc/33/14/99/132331499.db2.gz VEXQRCFMXSEIPC-CYBMUJFWSA-N 2 0 231.343 1.430 40 0 BDABRP CC1CCC(O)(C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000096511433 168167620 /nfs/dbraw/zinc/16/76/20/168167620.db2.gz KNADCXCUSICTIY-UHFFFAOYSA-N 2 0 240.391 1.598 40 0 BDABRP C[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000238333000 173148347 /nfs/dbraw/zinc/14/83/47/173148347.db2.gz DPPPALZSPFEMNV-STQMWFEESA-N 2 0 204.317 1.508 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000242574985 519632536 /nfs/dbraw/zinc/63/25/36/519632536.db2.gz NNXHCQLIIHFSJI-SRVKXCTJSA-N 2 0 241.379 1.101 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247973616 520037376 /nfs/dbraw/zinc/03/73/76/520037376.db2.gz ICEKJABMGPCNMV-SRVKXCTJSA-N 2 0 241.379 1.055 40 0 BDABRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218874512 398243809 /nfs/dbraw/zinc/24/38/09/398243809.db2.gz WJGVXTQYDKCYTE-QWRGUYRKSA-N 2 0 210.346 1.760 40 0 BDABRP CC(C)[C@@H]([C@@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210597 259317362 /nfs/dbraw/zinc/31/73/62/259317362.db2.gz HLBGNVNRZIRRAK-RYUDHWBXSA-N 2 0 214.353 1.064 40 0 BDABRP CC[NH+](CC)CCN[C@@H]1CCCC[C@H]1[NH3+] ZINC000218856260 398328843 /nfs/dbraw/zinc/32/88/43/398328843.db2.gz JMXCNWJXZWQWGU-VXGBXAGGSA-N 2 0 213.369 1.188 40 0 BDABRP CC[NH+](CC)CCN[C@H]1CCCC[C@@H]1[NH3+] ZINC000218856193 398328956 /nfs/dbraw/zinc/32/89/56/398328956.db2.gz JMXCNWJXZWQWGU-RYUDHWBXSA-N 2 0 213.369 1.188 40 0 BDABRP Cc1[nH+]cc2cc(C)nc([C@H]3CCC[NH2+]C3)n21 ZINC000585261109 344372966 /nfs/dbraw/zinc/37/29/66/344372966.db2.gz SELAIUUHCANWSW-NSHDSACASA-N 2 0 230.315 1.813 40 0 BDABRP CC[NH2+][C@H]1CCOC2(CC[NH+](C)CC2)C1 ZINC000205673364 347452637 /nfs/dbraw/zinc/45/26/37/347452637.db2.gz CORASFOHUQMNPZ-NSHDSACASA-N 2 0 212.337 1.239 40 0 BDABRP C[C@H]([NH3+])CC[N@@H+]1CCc2ccccc2C1 ZINC000037401864 348421627 /nfs/dbraw/zinc/42/16/27/348421627.db2.gz BNCZXIZSYAGCLA-NSHDSACASA-N 2 0 204.317 1.782 40 0 BDABRP C[N@@H+](CCc1ccncc1)CCC1CC[NH2+]CC1 ZINC000038076099 350304645 /nfs/dbraw/zinc/30/46/45/350304645.db2.gz FUYVVEZOKAPUIL-UHFFFAOYSA-N 2 0 247.386 1.946 40 0 BDABRP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040534 187943180 /nfs/dbraw/zinc/94/31/80/187943180.db2.gz OHPWZUVJXHLOOP-UHFFFAOYSA-N 2 0 220.316 1.537 40 0 BDABRP C[NH+](C)Cc1cc(C[NH+](C)C)cc(C[NH+](C)C)c1 ZINC000001694466 357157509 /nfs/dbraw/zinc/15/75/09/357157509.db2.gz CQTGJMPFHKALGU-UHFFFAOYSA-N 3 0 249.402 1.871 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2cncs2)CC1 ZINC000072203315 181364987 /nfs/dbraw/zinc/36/49/87/181364987.db2.gz CBHDKWYXMJKQIL-UHFFFAOYSA-N 2 0 211.334 1.314 40 0 BDABRP [NH3+]CCOC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079390669 181398864 /nfs/dbraw/zinc/39/88/64/181398864.db2.gz WNSDLNDPFRDRNS-CQSZACIVSA-N 2 0 234.343 1.626 40 0 BDABRP [NH3+]CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702336 181399413 /nfs/dbraw/zinc/39/94/13/181399413.db2.gz VPLOUQLMYCNBOS-ZDUSSCGKSA-N 2 0 220.316 1.236 40 0 BDABRP CC(C)CC[N@@H+]1C[C@@H]2C[NH2+][C@H](C)[C@@H](C2)C1 ZINC000095093777 371249107 /nfs/dbraw/zinc/24/91/07/371249107.db2.gz ASNWQCZZCXAZLN-AGIUHOORSA-N 2 0 210.365 1.962 40 0 BDABRP OCC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000008731160 183076439 /nfs/dbraw/zinc/07/64/39/183076439.db2.gz GDXXXJYBRUAGRT-UHFFFAOYSA-N 2 0 248.370 1.481 40 0 BDABRP CCC[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000020073767 169202408 /nfs/dbraw/zinc/20/24/08/169202408.db2.gz IZDRHXHIFNCSOV-UHFFFAOYSA-N 2 0 227.396 1.533 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+] ZINC000079414469 384135732 /nfs/dbraw/zinc/13/57/32/384135732.db2.gz NNVVZNJLUYXBRE-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](CCO)C2CC2)CC1 ZINC000100178226 384282693 /nfs/dbraw/zinc/28/26/93/384282693.db2.gz RWMPQWMWNWVMTC-TXEJJXNPSA-N 2 0 226.364 1.316 40 0 BDABRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cnccn1 ZINC000072203965 385058945 /nfs/dbraw/zinc/05/89/45/385058945.db2.gz HIEXWEJLWGKLEO-JTQLQIEISA-N 2 0 220.320 1.127 40 0 BDABRP C[NH+]1CCN(c2ncccc2[C@@H]2CCC[NH2+]2)CC1 ZINC000072216564 385098316 /nfs/dbraw/zinc/09/83/16/385098316.db2.gz WBKGAXLFHIQAHS-ZDUSSCGKSA-N 2 0 246.358 1.258 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000096523679 385268477 /nfs/dbraw/zinc/26/84/77/385268477.db2.gz ZKUDRLQQFCYOOF-AWEZNQCLSA-N 2 0 239.407 1.404 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]([NH3+])C(C)C)CC1 ZINC000096523756 385269293 /nfs/dbraw/zinc/26/92/93/385269293.db2.gz LZOXQKYHVVESEX-CYBMUJFWSA-N 2 0 227.396 1.387 40 0 BDABRP CC(C)CC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531579 385282604 /nfs/dbraw/zinc/28/26/04/385282604.db2.gz HKZTXNXVXLPTNM-UHFFFAOYSA-N 2 0 226.364 1.487 40 0 BDABRP C[N@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052174678 387462926 /nfs/dbraw/zinc/46/29/26/387462926.db2.gz XWDWHCIALWSRIC-PBWFPOADSA-N 2 0 238.375 1.628 40 0 BDABRP C[C@@H](NCC[NH+](C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863015 397976523 /nfs/dbraw/zinc/97/65/23/397976523.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 2 0 239.407 1.401 40 0 BDABRP CC[NH+](CC)C1([C@H](C[NH3+])CO)CCCCC1 ZINC000072210379 322905949 /nfs/dbraw/zinc/90/59/49/322905949.db2.gz HUMKOKZQWODAKV-GFCCVEGCSA-N 2 0 228.380 1.598 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218830661 169776992 /nfs/dbraw/zinc/77/69/92/169776992.db2.gz KWKSPPXNVDHOGF-UONOGXRCSA-N 2 0 239.407 1.545 40 0 BDABRP CCn1cc(CNCC[NH3+])c2ccccc21 ZINC000095094947 172169737 /nfs/dbraw/zinc/16/97/37/172169737.db2.gz FHRCYLDBRNAFMG-UHFFFAOYSA-N 2 0 217.316 1.710 40 0 BDABRP C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(F)cc2)C1 ZINC000082945367 173183934 /nfs/dbraw/zinc/18/39/34/173183934.db2.gz VFJQQDKNVMXPLG-PWSUYJOCSA-N 2 0 208.280 1.430 40 0 BDABRP N[C@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000022026884 343037114 /nfs/dbraw/zinc/03/71/14/343037114.db2.gz NTCMQIAVHJSZET-CQSZACIVSA-N 3 0 239.407 1.676 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419455 187263570 /nfs/dbraw/zinc/26/35/70/187263570.db2.gz SJWCBRSIHPELSO-TUAOUCFPSA-N 2 0 241.379 1.101 40 0 BDABRP C[NH+]1CCCSCCC[N@@H+](C)CCC1 ZINC000068604656 187275269 /nfs/dbraw/zinc/27/52/69/187275269.db2.gz PQQWBTWMXODBJY-UHFFFAOYSA-N 2 0 216.394 1.767 40 0 BDABRP C1CC1[N@H+]([C@@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783356 343810369 /nfs/dbraw/zinc/81/03/69/343810369.db2.gz RMAWCFGSCHOVAQ-GFCCVEGCSA-N 2 0 226.389 1.708 40 0 BDABRP C1CC1[N@H+]([C@H]1CCSC1)C1CC[NH2+]CC1 ZINC000393783358 343810510 /nfs/dbraw/zinc/81/05/10/343810510.db2.gz RMAWCFGSCHOVAQ-LBPRGKRZSA-N 2 0 226.389 1.708 40 0 BDABRP CCc1nccn1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000072344154 187276839 /nfs/dbraw/zinc/27/68/39/187276839.db2.gz WCXJHQBSUIPWCO-SNVBAGLBSA-N 2 0 243.314 1.649 40 0 BDABRP CN1CCC([N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918875 259372619 /nfs/dbraw/zinc/37/26/19/259372619.db2.gz BAQISSFLFFFDPD-ZDUSSCGKSA-N 2 0 239.407 1.402 40 0 BDABRP C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000216250340 259376692 /nfs/dbraw/zinc/37/66/92/259376692.db2.gz SRGZXIQVTVCGOL-WZRBSPASSA-N 2 0 226.364 1.077 40 0 BDABRP CSc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000034174041 350257642 /nfs/dbraw/zinc/25/76/42/350257642.db2.gz LZZFLYYLSYNYHO-UHFFFAOYSA-N 2 0 210.346 1.847 40 0 BDABRP CCC[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000036873562 259412770 /nfs/dbraw/zinc/41/27/70/259412770.db2.gz SAUZLKOYTUYNMK-NSHDSACASA-N 2 0 213.369 1.140 40 0 BDABRP [NH3+]CC1(O)CC[NH+](CCc2ccccc2)CC1 ZINC000006096172 181361623 /nfs/dbraw/zinc/36/16/23/181361623.db2.gz OZWUDZJANOCZLG-UHFFFAOYSA-N 2 0 234.343 1.015 40 0 BDABRP [NH3+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC000052173131 181364751 /nfs/dbraw/zinc/36/47/51/181364751.db2.gz PGXBAYLJMZWZOR-UHFFFAOYSA-N 2 0 212.337 1.084 40 0 BDABRP [NH2+]=C(NC(=[NH2+])N1CCCCC1)N1CCCCC1 ZINC000149178134 368350987 /nfs/dbraw/zinc/35/09/87/368350987.db2.gz IJFSIVBGFZHFTE-UHFFFAOYSA-N 2 0 237.351 1.417 40 0 BDABRP [NH3+][C@H]1CCO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000110751570 181653033 /nfs/dbraw/zinc/65/30/33/181653033.db2.gz RAIBDTZTWBNGRW-GJZGRUSLSA-N 2 0 246.354 1.769 40 0 BDABRP OCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264453 383862591 /nfs/dbraw/zinc/86/25/91/383862591.db2.gz OLMHHSBJCGAUHX-CQSZACIVSA-N 2 0 234.343 1.090 40 0 BDABRP c1ccc([C@H]2C[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000044675891 384352551 /nfs/dbraw/zinc/35/25/51/384352551.db2.gz BASFYRLYJAZPPL-KGLIPLIRSA-N 2 0 216.328 1.884 40 0 BDABRP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC000100468706 384327394 /nfs/dbraw/zinc/32/73/94/384327394.db2.gz LBYALFWGJOLWMN-HDJSIYSDSA-N 2 0 237.391 1.284 40 0 BDABRP F[C@@H]1CC[NH2+]C[C@@]12CCN(Cc1ccncc1)C2 ZINC000107244600 384958031 /nfs/dbraw/zinc/95/80/31/384958031.db2.gz PAYRGVYUQFNYRC-ZIAGYGMSSA-N 2 0 249.333 1.605 40 0 BDABRP CC[NH+]1CCN(c2ncc(C[NH2+]C)cc2C)CC1 ZINC000072222598 385112444 /nfs/dbraw/zinc/11/24/44/385112444.db2.gz DZQKZIFDHFWDPG-UHFFFAOYSA-N 2 0 248.374 1.251 40 0 BDABRP C[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1 ZINC000072216267 385093166 /nfs/dbraw/zinc/09/31/66/385093166.db2.gz UJMFGEGRNLZGBF-CYBMUJFWSA-N 2 0 246.358 1.258 40 0 BDABRP C[C@@H]([NH3+])CN1CC[NH+](C2CCCCC2)CC1 ZINC000096523921 385270588 /nfs/dbraw/zinc/27/05/88/385270588.db2.gz IBJRJHHMBZHDJN-GFCCVEGCSA-N 2 0 225.380 1.284 40 0 BDABRP CCC[NH+](CCC)C[C@H](O)C[NH2+]C1CC1 ZINC000036950389 385824565 /nfs/dbraw/zinc/82/45/65/385824565.db2.gz GTJCMTPGSORVRS-GFCCVEGCSA-N 2 0 214.353 1.221 40 0 BDABRP CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004129037 387562507 /nfs/dbraw/zinc/56/25/07/387562507.db2.gz DIQREXVGAWIWBR-FIQHERPVSA-N 2 0 214.353 1.076 40 0 BDABRP C[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750663 388400397 /nfs/dbraw/zinc/40/03/97/388400397.db2.gz ZVFZUUAVIAYGQA-PSASIEDQSA-N 2 0 220.320 1.513 40 0 BDABRP CC(C)[N@H+](C)Cc1cnc2n1CCN[C@@H]2C ZINC000107491731 388616650 /nfs/dbraw/zinc/61/66/50/388616650.db2.gz MGTIVKYUTVTQBE-SNVBAGLBSA-N 2 0 222.336 1.388 40 0 BDABRP COc1ccc([C@H]2C[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000242498625 388837718 /nfs/dbraw/zinc/83/77/18/388837718.db2.gz HKMUZIJDOFHNOP-DGCLKSJQSA-N 2 0 220.316 1.299 40 0 BDABRP CN1CCC([N@H+](C)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918877 398065021 /nfs/dbraw/zinc/06/50/21/398065021.db2.gz BAQISSFLFFFDPD-CYBMUJFWSA-N 2 0 239.407 1.402 40 0 BDABRP C[NH+]1CCC[C@@H]1CC(O)C[C@H]1CCC[N@H+]1C ZINC000096030765 173028997 /nfs/dbraw/zinc/02/89/97/173028997.db2.gz UOJNOOLFFFFKNA-VXGBXAGGSA-N 2 0 226.364 1.316 40 0 BDABRP COCCC[N@@H+]1CCCC12CC[NH2+]CC2 ZINC000096075272 174228416 /nfs/dbraw/zinc/22/84/16/174228416.db2.gz NMRZGFURIZJGML-UHFFFAOYSA-N 2 0 212.337 1.241 40 0 BDABRP COc1ccc2[nH+]ccc(NCC[NH3+])c2c1 ZINC000212127268 175229600 /nfs/dbraw/zinc/22/96/00/175229600.db2.gz HMQLULYXVMUTGH-UHFFFAOYSA-N 2 0 217.272 1.614 40 0 BDABRP C[C@H](c1ccccn1)N(C)C1CC[NH2+]CC1 ZINC000072203885 177042378 /nfs/dbraw/zinc/04/23/78/177042378.db2.gz QDRDELKPSKFSBU-LLVKDONJSA-N 2 0 219.332 1.826 40 0 BDABRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895813 177266072 /nfs/dbraw/zinc/26/60/72/177266072.db2.gz GLFBPDDMMVIVQJ-AAEUAGOBSA-N 2 0 204.317 1.713 40 0 BDABRP Cc1cc[n+]2c(c1)-c1cc(C)cc[n+]1CC2 ZINC000001613452 178308560 /nfs/dbraw/zinc/30/85/60/178308560.db2.gz GYJXDWUOGXKHEN-UHFFFAOYSA-N 2 0 212.296 1.559 40 0 BDABRP CC1CC[NH+](C[C@@H]2CCCN2CC[NH3+])CC1 ZINC000072207551 259315372 /nfs/dbraw/zinc/31/53/72/259315372.db2.gz APLDOVZSHWXLAG-ZDUSSCGKSA-N 2 0 225.380 1.141 40 0 BDABRP CC[NH+](CC)CCCCNc1cc[nH+]c(N)n1 ZINC000001640927 342706912 /nfs/dbraw/zinc/70/69/12/342706912.db2.gz SQKDBRWLBUKFKJ-UHFFFAOYSA-N 2 0 237.351 1.593 40 0 BDABRP CCCN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051918823 259372681 /nfs/dbraw/zinc/37/26/81/259372681.db2.gz JXZNNISLWDGZRL-AWEZNQCLSA-N 2 0 239.407 1.404 40 0 BDABRP CN1CCC([N@H+](C)CCCCCC[NH3+])CC1 ZINC000004226804 352608869 /nfs/dbraw/zinc/60/88/69/352608869.db2.gz FLCUILAEPTZUKY-UHFFFAOYSA-N 2 0 227.396 1.532 40 0 BDABRP [NH3+]C1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000002022227 181341738 /nfs/dbraw/zinc/34/17/38/181341738.db2.gz VBPWZDGHWDCOII-UHFFFAOYSA-N 3 0 211.353 1.116 40 0 BDABRP [NH3+]CCOC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079390670 181399552 /nfs/dbraw/zinc/39/95/52/181399552.db2.gz WNSDLNDPFRDRNS-AWEZNQCLSA-N 2 0 234.343 1.626 40 0 BDABRP c1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000085224253 183398320 /nfs/dbraw/zinc/39/83/20/183398320.db2.gz AWHHKKHMEIVLFM-UHFFFAOYSA-N 2 0 246.354 1.641 40 0 BDABRP CC(C)C[C@@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190241 383887191 /nfs/dbraw/zinc/88/71/91/383887191.db2.gz GXZYHHKWFGMKAX-CYBMUJFWSA-N 2 0 227.396 1.386 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407265 384136665 /nfs/dbraw/zinc/13/66/65/384136665.db2.gz KEBPBVLTDLEJFZ-TUAOUCFPSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)N(CC[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406318 384137015 /nfs/dbraw/zinc/13/70/15/384137015.db2.gz VCQRHQPOPDTDMB-QWHCGFSZSA-N 2 0 227.396 1.528 40 0 BDABRP c1ccc([C@@H]2C[C@@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000044675890 384352641 /nfs/dbraw/zinc/35/26/41/384352641.db2.gz BASFYRLYJAZPPL-KBPBESRZSA-N 2 0 216.328 1.884 40 0 BDABRP CC[C@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224628 385119622 /nfs/dbraw/zinc/11/96/22/385119622.db2.gz RNXWVOVYMGXBOW-LBPRGKRZSA-N 2 0 234.347 1.209 40 0 BDABRP Cn1cccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000096523644 385315491 /nfs/dbraw/zinc/31/54/91/385315491.db2.gz IBOCAHWVKAMRJS-UHFFFAOYSA-N 2 0 207.321 1.196 40 0 BDABRP CC(C)[C@H]([NH3+])CCN1CC[NH+](C(C)C)CC1 ZINC000096523818 385267225 /nfs/dbraw/zinc/26/72/25/385267225.db2.gz YIHHDFBTZZWOPI-CYBMUJFWSA-N 2 0 227.396 1.386 40 0 BDABRP CC(C)(C)[NH2+][C@H]1COC2(C1)CC[NH2+]CC2 ZINC000306136804 385992248 /nfs/dbraw/zinc/99/22/48/385992248.db2.gz QDVHBFBEYBZHFS-SNVBAGLBSA-N 2 0 212.337 1.286 40 0 BDABRP [NH3+][C@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000247641462 386730409 /nfs/dbraw/zinc/73/04/09/386730409.db2.gz HNIYDVDUPHDDRF-WCQYABFASA-N 2 0 202.301 1.707 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]([NH3+])CCC)CC1 ZINC000096523991 387039805 /nfs/dbraw/zinc/03/98/05/387039805.db2.gz NHWPRPOVLFBUEC-CYBMUJFWSA-N 2 0 227.396 1.532 40 0 BDABRP COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH2+]CC2 ZINC000096215227 387024595 /nfs/dbraw/zinc/02/45/95/387024595.db2.gz FMBKLPISGLWYSJ-GFCCVEGCSA-N 2 0 226.364 1.485 40 0 BDABRP C[NH2+]CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062031670 388648984 /nfs/dbraw/zinc/64/89/84/388648984.db2.gz VQGHQBHNSXYXSK-UHFFFAOYSA-N 2 0 225.380 1.014 40 0 BDABRP Cc1ccc(N2CC[NH+](CCCC[NH3+])CC2)cc1 ZINC000082553797 132415238 /nfs/dbraw/zinc/41/52/38/132415238.db2.gz NBIYVLQYFOXZON-UHFFFAOYSA-N 2 0 247.386 1.856 40 0 BDABRP CCn1nccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000096523641 172267426 /nfs/dbraw/zinc/26/74/26/172267426.db2.gz IFOJIAZMMGXIKT-UHFFFAOYSA-N 2 0 222.336 1.074 40 0 BDABRP C[NH+](C)CCN(CC[NH+](C)C)c1ccccc1 ZINC000002560538 172455052 /nfs/dbraw/zinc/45/50/52/172455052.db2.gz XYBJECRQHXFCDU-UHFFFAOYSA-N 2 0 235.375 1.616 40 0 BDABRP C[NH+]1CCC2(CC1)N=C1CC[N@@H+](C)C[C@H]1S2 ZINC000001719764 173003605 /nfs/dbraw/zinc/00/36/05/173003605.db2.gz HPIXOTNMJSLWPW-LLVKDONJSA-N 2 0 239.388 1.300 40 0 BDABRP C[NH2+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694450 173354628 /nfs/dbraw/zinc/35/46/28/173354628.db2.gz REKLWURWYPBQHQ-UHFFFAOYSA-N 2 0 225.380 1.156 40 0 BDABRP COCCC[N@H+](CCC[NH3+])Cc1cccs1 ZINC000096523779 174222349 /nfs/dbraw/zinc/22/23/49/174222349.db2.gz XAIBOZFKJSXEBN-UHFFFAOYSA-N 2 0 242.388 1.935 40 0 BDABRP COc1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038041463 175263008 /nfs/dbraw/zinc/26/30/08/175263008.db2.gz NPTLNWOEYIOFLU-UHFFFAOYSA-N 2 0 220.316 1.537 40 0 BDABRP CC(C)[C@@H]([C@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210599 259317683 /nfs/dbraw/zinc/31/76/83/259317683.db2.gz HLBGNVNRZIRRAK-NEPJUHHUSA-N 2 0 214.353 1.064 40 0 BDABRP Cc1[nH+]cc2cc([C@@]3(C)CCC[NH2+]C3)nc(C)n21 ZINC000585261106 344372742 /nfs/dbraw/zinc/37/27/42/344372742.db2.gz OJZKNEAISXNYAK-AWEZNQCLSA-N 2 0 244.342 1.987 40 0 BDABRP Cc1[nH+]cc2cc(C3CC[NH2+]CC3)nc(C)n21 ZINC000205690224 348576064 /nfs/dbraw/zinc/57/60/64/348576064.db2.gz CWBFLVIXKIGASI-UHFFFAOYSA-N 2 0 230.315 1.813 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178217 187535581 /nfs/dbraw/zinc/53/55/81/187535581.db2.gz JTCDTDLLVHAHFF-TXEJJXNPSA-N 2 0 214.353 1.220 40 0 BDABRP C(C[NH+]1CCCC1)OCC[NH+]1CCCC1 ZINC000002583903 188101269 /nfs/dbraw/zinc/10/12/69/188101269.db2.gz SYHAYUSMVWWPKJ-UHFFFAOYSA-N 2 0 212.337 1.195 40 0 BDABRP [NH3+]C1CCC(OC2CCC([NH3+])CC2)CC1 ZINC000049588201 181342918 /nfs/dbraw/zinc/34/29/18/181342918.db2.gz SZEWALYSKVMFAD-UHFFFAOYSA-N 2 0 212.337 1.543 40 0 BDABRP c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)co1 ZINC000306141109 183339324 /nfs/dbraw/zinc/33/93/24/183339324.db2.gz VLMDHZKOOMEMKY-UHFFFAOYSA-N 2 0 220.316 1.855 40 0 BDABRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1nccs1 ZINC000070733412 383961628 /nfs/dbraw/zinc/96/16/28/383961628.db2.gz XCTVDPVUAJGJNR-VIFPVBQESA-N 2 0 225.361 1.793 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406995 384138198 /nfs/dbraw/zinc/13/81/98/384138198.db2.gz REBNPYJAAIJZKA-NWDGAFQWSA-N 2 0 241.379 1.055 40 0 BDABRP COc1c(C)cccc1C[NH2+]CCC[NH3+] ZINC000095094946 384962837 /nfs/dbraw/zinc/96/28/37/384962837.db2.gz LWBMJUNLRCXQIK-UHFFFAOYSA-N 2 0 208.305 1.442 40 0 BDABRP Cc1cc(N2CC[NH+](C)CC2)ncc1[C@H](C)[NH3+] ZINC000072223608 385116100 /nfs/dbraw/zinc/11/61/00/385116100.db2.gz BDVJQTINQLSCCO-NSHDSACASA-N 2 0 234.347 1.162 40 0 BDABRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccccn1 ZINC000096523793 385267275 /nfs/dbraw/zinc/26/72/75/385267275.db2.gz DPDULRMMHWXONP-AWEZNQCLSA-N 2 0 235.375 1.929 40 0 BDABRP Cc1nc(NCC[NH3+])cc(N2CCCCC2)[nH+]1 ZINC000217511874 385325882 /nfs/dbraw/zinc/32/58/82/385325882.db2.gz CVUXSCJHAJSVLR-UHFFFAOYSA-N 2 0 235.335 1.146 40 0 BDABRP C[N@@H+]1CCCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020260729 388762263 /nfs/dbraw/zinc/76/22/63/388762263.db2.gz HXTIUFSYBPDPFX-CQSZACIVSA-N 2 0 233.359 1.324 40 0 BDABRP C[NH2+]C[C@@H]1C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509363 173372456 /nfs/dbraw/zinc/37/24/56/173372456.db2.gz CHBIEADHJMWUNG-KBPBESRZSA-N 2 0 216.328 1.858 40 0 BDABRP COc1ccc(C[NH2+]CCC[NH3+])cc1OC ZINC000037713073 175106938 /nfs/dbraw/zinc/10/69/38/175106938.db2.gz IMELWWPRAOFGNB-UHFFFAOYSA-N 2 0 224.304 1.142 40 0 BDABRP C[C@@H](c1ccccn1)N(C)C1CC[NH2+]CC1 ZINC000072203884 176026931 /nfs/dbraw/zinc/02/69/31/176026931.db2.gz QDRDELKPSKFSBU-NSHDSACASA-N 2 0 219.332 1.826 40 0 BDABRP CC[NH+](CC)CC[C@@H](C[NH+](C)C)[C@@H](C)O ZINC000001717655 342710998 /nfs/dbraw/zinc/71/09/98/342710998.db2.gz LOIMWVSZLNMMQJ-NEPJUHHUSA-N 2 0 216.369 1.277 40 0 BDABRP CC[NH+](CC)CCC[NH2+]C[C@@H](C)C(=O)OC ZINC000035133630 343286343 /nfs/dbraw/zinc/28/63/43/343286343.db2.gz BVRODSRQGJBALS-LLVKDONJSA-N 2 0 230.352 1.117 40 0 BDABRP C[n+]1ccccc1/C=C/c1cccc[n+]1C ZINC000004823070 191120519 /nfs/dbraw/zinc/12/05/19/191120519.db2.gz AWOBSIKQGSSXST-MDZDMXLPSA-N 2 0 212.296 1.506 40 0 BDABRP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000036300916 188112796 /nfs/dbraw/zinc/11/27/96/188112796.db2.gz GZVXEQCMAUJNNM-UHFFFAOYSA-N 2 0 234.343 1.879 40 0 BDABRP CC(C)[N@H+](C)C[C@H]1CCCCN1CC[NH3+] ZINC000079419016 188136142 /nfs/dbraw/zinc/13/61/42/188136142.db2.gz NDTDLOBXIYRUBZ-GFCCVEGCSA-N 2 0 213.369 1.140 40 0 BDABRP NC(=[NH2+])c1cc(Cl)c(Cl)cc1C(N)=[NH2+] ZINC000001444980 181194268 /nfs/dbraw/zinc/19/42/68/181194268.db2.gz MQLBBACHKIZWJU-UHFFFAOYSA-N 2 0 231.086 1.562 40 0 BDABRP CC(C)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000055079590 369125122 /nfs/dbraw/zinc/12/51/22/369125122.db2.gz XQKLOHLFZXGFHG-CQSZACIVSA-N 2 0 239.407 1.260 40 0 BDABRP c1cc[n+]2c(c1)-c1cccc[n+]1CCCC2 ZINC000001723492 183378857 /nfs/dbraw/zinc/37/88/57/183378857.db2.gz HDYTXULTMZLTFH-UHFFFAOYSA-N 2 0 212.296 1.722 40 0 BDABRP CCC[C@@H]([NH3+])CN(CC)Cc1cnn(CC)c1 ZINC000096523984 169392567 /nfs/dbraw/zinc/39/25/67/169392567.db2.gz ZEQIKVPKGYRXIY-CYBMUJFWSA-N 2 0 238.379 1.852 40 0 BDABRP CN(CC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000054417030 383843086 /nfs/dbraw/zinc/84/30/86/383843086.db2.gz WWURKPADSHUWHP-AWEZNQCLSA-N 2 0 233.359 1.151 40 0 BDABRP CN(CC[NH3+])C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079393558 384134164 /nfs/dbraw/zinc/13/41/64/384134164.db2.gz MQWADTJLUBHZJT-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC[NH3+])C1 ZINC000079414464 384137640 /nfs/dbraw/zinc/13/76/40/384137640.db2.gz BXEJCZSUHCDQCG-AWEZNQCLSA-N 2 0 233.359 1.151 40 0 BDABRP CC[N@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178171 384284259 /nfs/dbraw/zinc/28/42/59/384284259.db2.gz GEUFAFATOXRLKY-TXEJJXNPSA-N 2 0 214.353 1.173 40 0 BDABRP CC[NH+](CC)[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC000096206183 384442441 /nfs/dbraw/zinc/44/24/41/384442441.db2.gz QRPRDHNWVFJXSD-NWDGAFQWSA-N 2 0 212.337 1.239 40 0 BDABRP CC[C@@](C)([C@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210360 385068340 /nfs/dbraw/zinc/06/83/40/385068340.db2.gz ILZQINXJZRKOEF-NEPJUHHUSA-N 2 0 214.353 1.208 40 0 BDABRP CC[C@@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224655 385119276 /nfs/dbraw/zinc/11/92/76/385119276.db2.gz SHXCTAYAUDJBCR-CYBMUJFWSA-N 2 0 248.374 1.552 40 0 BDABRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccncc1 ZINC000096523802 385267376 /nfs/dbraw/zinc/26/73/76/385267376.db2.gz SJQAOXUODUHFOW-CQSZACIVSA-N 2 0 235.375 1.929 40 0 BDABRP CC(C)[C@@H]([NH3+])CCN(C)C1CC[NH+](C)CC1 ZINC000096523799 385268529 /nfs/dbraw/zinc/26/85/29/385268529.db2.gz HOGARXFHDOYYGB-ZDUSSCGKSA-N 2 0 227.396 1.386 40 0 BDABRP CCn1cc(C[N@H+](CC)CCCC[NH3+])cn1 ZINC000096523772 385269004 /nfs/dbraw/zinc/26/90/04/385269004.db2.gz ONOPYPVYNWLEFZ-UHFFFAOYSA-N 2 0 224.352 1.464 40 0 BDABRP C1CCC([N@@H+]2CCOC3(CC[NH2+]CC3)C2)C1 ZINC000096531556 385283278 /nfs/dbraw/zinc/28/32/78/385283278.db2.gz QSVNKQSBOUJIIR-UHFFFAOYSA-N 2 0 224.348 1.383 40 0 BDABRP C[N@H+](C[C@@H](O)C[NH2+]C1CC1)C1CCCCC1 ZINC000036950402 385591580 /nfs/dbraw/zinc/59/15/80/385591580.db2.gz FHOSPTNVHXYWAO-ZDUSSCGKSA-N 2 0 226.364 1.364 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]2CCCC[NH2+]2)CC1 ZINC000096524008 387040067 /nfs/dbraw/zinc/04/00/67/387040067.db2.gz HRLYLANALXBHPU-CQSZACIVSA-N 2 0 239.407 1.546 40 0 BDABRP Cc1cc[nH+]c(NC[C@H]2CCC[NH2+]C2)c1 ZINC000040434813 388415658 /nfs/dbraw/zinc/41/56/58/388415658.db2.gz DHMJFUSHVHBRAX-NSHDSACASA-N 2 0 205.305 1.802 40 0 BDABRP [NH3+]CCCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000037039536 132343384 /nfs/dbraw/zinc/34/33/84/132343384.db2.gz ZYONFKSLUZUVIO-UHFFFAOYSA-N 2 0 248.374 1.333 40 0 BDABRP CC[NH+](CC)CC[C@@H](C[NH+](C)C)[C@H](C)O ZINC000001717657 169783997 /nfs/dbraw/zinc/78/39/97/169783997.db2.gz LOIMWVSZLNMMQJ-RYUDHWBXSA-N 2 0 216.369 1.277 40 0 BDABRP CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1[NH3+] ZINC000218857098 167223697 /nfs/dbraw/zinc/22/36/97/167223697.db2.gz WEZFGFVFJDXANV-RYUDHWBXSA-N 2 0 214.353 1.661 40 0 BDABRP CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC000218857227 167224317 /nfs/dbraw/zinc/22/43/17/167224317.db2.gz WEZFGFVFJDXANV-NEPJUHHUSA-N 2 0 214.353 1.661 40 0 BDABRP CC(C)OCCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000218873819 167224443 /nfs/dbraw/zinc/22/44/43/167224443.db2.gz ARDDYTTVTDFFBK-QWRGUYRKSA-N 2 0 200.326 1.271 40 0 BDABRP CCn1ncc(C[N@H+](C)CCCCC[NH3+])c1C ZINC000096523837 172255095 /nfs/dbraw/zinc/25/50/95/172255095.db2.gz IKNBTONUUOQQOR-UHFFFAOYSA-N 2 0 238.379 1.772 40 0 BDABRP C[NH+](C)CCN(CCC[NH3+])Cc1ccccc1 ZINC000096523791 172454828 /nfs/dbraw/zinc/45/48/28/172454828.db2.gz KPCNNOKUIQMAKN-UHFFFAOYSA-N 2 0 235.375 1.399 40 0 BDABRP C[N@H+]1[C@@H]2CC[C@H]1CC1(C2)C[C@@H]([NH3+])CCO1 ZINC000110751559 173207125 /nfs/dbraw/zinc/20/71/25/173207125.db2.gz BFAPYGWCEQJWOS-WSMDXJOWSA-N 2 0 210.321 1.120 40 0 BDABRP COCCNc1ccc(C[C@H]2CC[NH2+]C2)cn1 ZINC000257227654 174340804 /nfs/dbraw/zinc/34/08/04/174340804.db2.gz FQHDREBBEAMFIC-GFCCVEGCSA-N 2 0 235.331 1.292 40 0 BDABRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055341 176306473 /nfs/dbraw/zinc/30/64/73/176306473.db2.gz VTJULCNKQLRXFZ-PWSUYJOCSA-N 2 0 217.316 1.690 40 0 BDABRP CC[NH+](CC)[C@@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210338 259316678 /nfs/dbraw/zinc/31/66/78/259316678.db2.gz FYOOYRIPBTWIDE-KGLIPLIRSA-N 2 0 236.359 1.637 40 0 BDABRP Cc1ccc[n+](CC[n+]2cccc(C)c2)c1 ZINC000001665854 342707601 /nfs/dbraw/zinc/70/76/01/342707601.db2.gz OWWMWDVIQIGXSN-UHFFFAOYSA-N 2 0 214.312 1.579 40 0 BDABRP CC[NH+](CC)CC[C@H](C[NH+](C)C)C(C)=O ZINC000001717663 342710947 /nfs/dbraw/zinc/71/09/47/342710947.db2.gz DBLBQOUFFYCZBL-GFCCVEGCSA-N 2 0 214.353 1.485 40 0 BDABRP CC(C)[C@H]([C@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210600 259317478 /nfs/dbraw/zinc/31/74/78/259317478.db2.gz HLBGNVNRZIRRAK-VXGBXAGGSA-N 2 0 214.353 1.064 40 0 BDABRP CC[NH+](CC)CCN[C@H]1CCCC[C@H]1[NH3+] ZINC000218856318 398328873 /nfs/dbraw/zinc/32/88/73/398328873.db2.gz JMXCNWJXZWQWGU-NEPJUHHUSA-N 2 0 213.369 1.188 40 0 BDABRP CC(C)[N@H+](C)Cc1ncn2c1C[NH2+]CCC2 ZINC000096259474 188147632 /nfs/dbraw/zinc/14/76/32/188147632.db2.gz WDXKSUCGOFGSKX-UHFFFAOYSA-N 2 0 222.336 1.217 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000044512212 181365406 /nfs/dbraw/zinc/36/54/06/181365406.db2.gz RQGVRRHKOHENRE-UHFFFAOYSA-N 2 0 248.326 1.586 40 0 BDABRP [NH3+]CCOC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390683 181399618 /nfs/dbraw/zinc/39/96/18/181399618.db2.gz SDYPBBWJWPZUGW-HNNXBMFYSA-N 2 0 248.370 1.874 40 0 BDABRP CCC[NH+]1CCN(C[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000020073785 169202345 /nfs/dbraw/zinc/20/23/45/169202345.db2.gz RBCWTVMIYMMQII-QWHCGFSZSA-N 2 0 227.396 1.387 40 0 BDABRP CN(CC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000054417037 383841080 /nfs/dbraw/zinc/84/10/80/383841080.db2.gz MZQKEWUMXPKZHI-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP OCC[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393481 384134342 /nfs/dbraw/zinc/13/43/42/384134342.db2.gz FRALCQXAZQYWSC-HNNXBMFYSA-N 2 0 248.370 1.481 40 0 BDABRP CC(C)[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079419441 384141551 /nfs/dbraw/zinc/14/15/51/384141551.db2.gz KAQCAABGQLDDHF-NWDGAFQWSA-N 2 0 241.379 1.055 40 0 BDABRP CN1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043591702 384195410 /nfs/dbraw/zinc/19/54/10/384195410.db2.gz IOOZHVUUMQVJIO-CYBMUJFWSA-N 2 0 225.380 1.014 40 0 BDABRP CCc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC000096054891 384429127 /nfs/dbraw/zinc/42/91/27/384429127.db2.gz RHCOBWPGWAVOJU-KBPBESRZSA-N 2 0 216.328 1.782 40 0 BDABRP Cc1ccc([C@H]2C[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000082929027 384605102 /nfs/dbraw/zinc/60/51/02/384605102.db2.gz UTTGTIYNDWGBEC-QWHCGFSZSA-N 2 0 204.317 1.599 40 0 BDABRP F[C@@H]1CC[NH2+]C[C@]12CCN(Cc1ccncc1)C2 ZINC000107244594 384957266 /nfs/dbraw/zinc/95/72/66/384957266.db2.gz PAYRGVYUQFNYRC-KGLIPLIRSA-N 2 0 249.333 1.605 40 0 BDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222542 385109309 /nfs/dbraw/zinc/10/93/09/385109309.db2.gz GSNDNEGNUUQFKB-GFCCVEGCSA-N 2 0 234.347 1.209 40 0 BDABRP CC[NH+]1CCN(c2ncc([C@H](C)[NH3+])cc2C)CC1 ZINC000072222592 385112957 /nfs/dbraw/zinc/11/29/57/385112957.db2.gz ZGJZPLGDSGFAKM-LBPRGKRZSA-N 2 0 248.374 1.552 40 0 BDABRP CC[NH+]1CCN(c2ccc([C@@H](C)[NH3+])cn2)CC1 ZINC000072225551 385121814 /nfs/dbraw/zinc/12/18/14/385121814.db2.gz VMPLEBFYTQRCKI-LLVKDONJSA-N 2 0 234.347 1.243 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000096523968 385272433 /nfs/dbraw/zinc/27/24/33/385272433.db2.gz PKZJXTQSBPXKCW-UONOGXRCSA-N 2 0 241.423 1.778 40 0 BDABRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000248156223 386747342 /nfs/dbraw/zinc/74/73/42/386747342.db2.gz ZEFJJZJDPDVJSI-NWANDNLSSA-N 2 0 245.370 1.902 40 0 BDABRP CCOC(=O)[C@@H]1CCCCN1C1CC[NH2+]CC1 ZINC000067796536 170257268 /nfs/dbraw/zinc/25/72/68/170257268.db2.gz FXHNJYQAMCFLMU-LBPRGKRZSA-N 2 0 240.347 1.156 40 0 BDABRP C[NH+](C)C[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C[NH+](C)C ZINC000005179422 172499501 /nfs/dbraw/zinc/49/95/01/172499501.db2.gz DXCLHMIULSJBIZ-MPZDIEGVSA-N 2 0 208.349 1.548 40 0 BDABRP C[NH+](C)[C@@H]1CCCC[C@@H]1N(CC[NH3+])C1CC1 ZINC000079406390 172522546 /nfs/dbraw/zinc/52/25/46/172522546.db2.gz VFPRPBYSHOJXEH-OLZOCXBDSA-N 2 0 225.380 1.282 40 0 BDABRP C[NH+]1CCSCC[NH+](C)CCSCC1 ZINC000068604746 173109759 /nfs/dbraw/zinc/10/97/59/173109759.db2.gz WRBSEYSASLSSRW-UHFFFAOYSA-N 2 0 234.434 1.330 40 0 BDABRP C[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000001593281 173337492 /nfs/dbraw/zinc/33/74/92/173337492.db2.gz RTHGUCNZYFYNEY-UHFFFAOYSA-N 2 0 204.317 1.527 40 0 BDABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)C ZINC000013804880 177239354 /nfs/dbraw/zinc/23/93/54/177239354.db2.gz ZFMHJCHHDNGZAM-AVGNSLFASA-N 2 0 227.396 1.256 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247953433 519554809 /nfs/dbraw/zinc/55/48/09/519554809.db2.gz CNKYAUDRFAQNBC-HAQNSBGRSA-N 2 0 241.379 1.055 40 0 BDABRP CC[N@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247973567 521044835 /nfs/dbraw/zinc/04/48/35/521044835.db2.gz IAQUTXYNYZIKAY-HAQNSBGRSA-N 2 0 213.369 1.140 40 0 BDABRP c1cn(-c2nccnc2[C@H]2CCC[NH2+]C2)cn1 ZINC000257197531 398201603 /nfs/dbraw/zinc/20/16/03/398201603.db2.gz CDWVXHJJZHRRCT-JTQLQIEISA-N 2 0 229.287 1.129 40 0 BDABRP CC(C)[C@H]([C@@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210598 259317536 /nfs/dbraw/zinc/31/75/36/259317536.db2.gz HLBGNVNRZIRRAK-NWDGAFQWSA-N 2 0 214.353 1.064 40 0 BDABRP [NH3+][C@@H]1CC[C@H]([NH3+])c2cc(Br)cnc21 ZINC000575624314 398280918 /nfs/dbraw/zinc/28/09/18/398280918.db2.gz ZQLIGHCJOSFUBS-JGVFFNPUSA-N 2 0 242.120 1.638 40 0 BDABRP [NH3+][C@@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000039343803 343389075 /nfs/dbraw/zinc/38/90/75/343389075.db2.gz HNIYDVDUPHDDRF-YPMHNXCESA-N 2 0 202.301 1.707 40 0 BDABRP C[N@@H+](CCc1ccncc1)CC[C@@H]1CCC[NH2+]C1 ZINC000051919453 259371841 /nfs/dbraw/zinc/37/18/41/259371841.db2.gz XWJOMHZYWXMGLI-HNNXBMFYSA-N 2 0 247.386 1.946 40 0 BDABRP [NH3+]CC(F)(C[NH3+])CC1CC2(CCC2)C1 ZINC000585143173 344179364 /nfs/dbraw/zinc/17/93/64/344179364.db2.gz FGKLRXJVLHUDFM-UHFFFAOYSA-N 2 0 200.301 1.583 40 0 BDABRP Cc1[nH+]cc2cc(C)nc([C@@H]3CCC[NH2+]C3)n21 ZINC000585261108 344372909 /nfs/dbraw/zinc/37/29/09/344372909.db2.gz SELAIUUHCANWSW-LLVKDONJSA-N 2 0 230.315 1.813 40 0 BDABRP CC[NH+](CC)CCC[C@H](C)[NH2+]CCC[NH3+] ZINC000001683332 346464583 /nfs/dbraw/zinc/46/45/83/346464583.db2.gz ZAHSEHDQGJUREZ-LBPRGKRZSA-N 3 0 215.385 1.435 40 0 BDABRP Cc1nn(C)c(C)c1C[N@H+](C)CCCCC[NH3+] ZINC000096523840 180335711 /nfs/dbraw/zinc/33/57/11/180335711.db2.gz RQFWNYHZBRRVDI-UHFFFAOYSA-N 2 0 238.379 1.598 40 0 BDABRP [NH3+]C1(Cc2cccc(F)c2)CC[NH2+]CC1 ZINC000096029495 181332515 /nfs/dbraw/zinc/33/25/15/181332515.db2.gz GUCKMZPWPKQVQW-UHFFFAOYSA-N 2 0 208.280 1.449 40 0 BDABRP C[N@H+](CCc1ccncc1)CC1CC[NH2+]CC1 ZINC000011805334 370760250 /nfs/dbraw/zinc/76/02/50/370760250.db2.gz UQJYBYLDXRPPHM-UHFFFAOYSA-N 2 0 233.359 1.556 40 0 BDABRP c1ccc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088300997 183393567 /nfs/dbraw/zinc/39/35/67/183393567.db2.gz PBYNZHYSVIFBBA-OKILXGFUSA-N 2 0 216.328 1.380 40 0 BDABRP Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287569 383893213 /nfs/dbraw/zinc/89/32/13/383893213.db2.gz GDXVBWQLDBXIMD-OKILXGFUSA-N 2 0 216.328 1.646 40 0 BDABRP CCN(CC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393573 384133703 /nfs/dbraw/zinc/13/37/03/384133703.db2.gz NXPHMJZNKNRPJY-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP Cc1ccsc1CN(CC[NH3+])C1CC1 ZINC000079436124 384146702 /nfs/dbraw/zinc/14/67/02/384146702.db2.gz GDCKIVMOIQKOPC-UHFFFAOYSA-N 2 0 210.346 1.980 40 0 BDABRP CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419462 384143917 /nfs/dbraw/zinc/14/39/17/384143917.db2.gz SJWCBRSIHPELSO-QJPTWQEYSA-N 2 0 241.379 1.101 40 0 BDABRP CN1CCC[N@H+](CCCCCC[NH3+])CC1 ZINC000020217785 384603641 /nfs/dbraw/zinc/60/36/41/384603641.db2.gz BIFFIVSKURMWBK-UHFFFAOYSA-N 2 0 213.369 1.143 40 0 BDABRP [NH3+]C[C@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509402 385241417 /nfs/dbraw/zinc/24/14/17/385241417.db2.gz BNOXARHBBQKXRU-ZIAGYGMSSA-N 2 0 216.328 1.640 40 0 BDABRP C[NH+](C)[Si](C)(c1ccccc1)[NH+](C)C ZINC000196418251 385509091 /nfs/dbraw/zinc/50/90/91/385509091.db2.gz BDSUYTOTVCEJPO-UHFFFAOYSA-N 2 0 208.381 1.089 40 0 BDABRP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH2+]CC2 ZINC000096215229 387025003 /nfs/dbraw/zinc/02/50/03/387025003.db2.gz FMBKLPISGLWYSJ-LBPRGKRZSA-N 2 0 226.364 1.485 40 0 BDABRP Cc1cc[nH+]c(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000040434811 388415945 /nfs/dbraw/zinc/41/59/45/388415945.db2.gz DHMJFUSHVHBRAX-LLVKDONJSA-N 2 0 205.305 1.802 40 0 BDABRP CC[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000252486467 388653323 /nfs/dbraw/zinc/65/33/23/388653323.db2.gz KKBBBUBRGOOPKF-KOLCDFICSA-N 2 0 234.347 1.903 40 0 BDABRP C[NH+]1CCC(N2CC[NH2+][C@H]3CCCC[C@@H]32)CC1 ZINC000225713726 388840202 /nfs/dbraw/zinc/84/02/02/388840202.db2.gz WEDOSQOFDUQFFJ-KBPBESRZSA-N 2 0 237.391 1.297 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225712339 388840814 /nfs/dbraw/zinc/84/08/14/388840814.db2.gz KWKSPPXNVDHOGF-KGLIPLIRSA-N 2 0 239.407 1.545 40 0 BDABRP CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000218857157 167223584 /nfs/dbraw/zinc/22/35/84/167223584.db2.gz WEZFGFVFJDXANV-VXGBXAGGSA-N 2 0 214.353 1.661 40 0 BDABRP CCOc1ccc(C[NH2+]CCC[NH3+])cc1 ZINC000037713082 323108048 /nfs/dbraw/zinc/10/80/48/323108048.db2.gz RWRFXAFWSRXJRV-UHFFFAOYSA-N 2 0 208.305 1.524 40 0 BDABRP [NH3+]C[C@@H](CO)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210325 259316393 /nfs/dbraw/zinc/31/63/93/259316393.db2.gz GIZJALXYCUENPH-UONOGXRCSA-N 2 0 234.343 1.391 40 0 BDABRP Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1C[NH3+] ZINC000072223701 259321573 /nfs/dbraw/zinc/32/15/73/259321573.db2.gz PPDPDVBCNFNDMN-UHFFFAOYSA-N 2 0 248.374 1.379 40 0 BDABRP C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH+]2C)C1 ZINC000252486989 259326364 /nfs/dbraw/zinc/32/63/64/259326364.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 2 0 226.364 1.173 40 0 BDABRP CC[NH+](CC)CCCNCC[NH+](CC)CC ZINC000019364755 342946963 /nfs/dbraw/zinc/94/69/63/342946963.db2.gz DWNXRNUXWPHOBJ-UHFFFAOYSA-N 2 0 229.412 1.650 40 0 BDABRP C[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000048551206 343324163 /nfs/dbraw/zinc/32/41/63/343324163.db2.gz YAYMXMVGKIKCOC-LBPRGKRZSA-N 2 0 225.380 1.284 40 0 BDABRP CC[NH+]1CCC([NH2+]C[C@H](C)OC)CC1 ZINC000096528804 343758853 /nfs/dbraw/zinc/75/88/53/343758853.db2.gz OKUUTSABESCQFY-JTQLQIEISA-N 2 0 200.326 1.095 40 0 BDABRP Cc1cc(N2CC([NH3+])C2)c2ccccc2[nH+]1 ZINC000082593111 345458887 /nfs/dbraw/zinc/45/88/87/345458887.db2.gz RHINVHILZJJAGH-UHFFFAOYSA-N 2 0 213.284 1.691 40 0 BDABRP C[C@H]1C[C@H](C)C[NH+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950434 347980158 /nfs/dbraw/zinc/98/01/58/347980158.db2.gz SRGZXIQVTVCGOL-GMXVVIOVSA-N 2 0 226.364 1.077 40 0 BDABRP CC[NH+]1CCN(c2ccc([C@@H](C)[NH3+])c(C)n2)CC1 ZINC000072224678 259532966 /nfs/dbraw/zinc/53/29/66/259532966.db2.gz JWQJJTSCTPFFPZ-LLVKDONJSA-N 2 0 248.374 1.552 40 0 BDABRP Cc1cc(NCC[NH3+])nc(N2CCCCC2)[nH+]1 ZINC000008731106 383929822 /nfs/dbraw/zinc/92/98/22/383929822.db2.gz HIBAASODDALHID-UHFFFAOYSA-N 2 0 235.335 1.146 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1 ZINC000079414477 384135470 /nfs/dbraw/zinc/13/54/70/384135470.db2.gz REOHBHQDJUTFKI-HNNXBMFYSA-N 2 0 247.386 1.399 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000079407004 384135771 /nfs/dbraw/zinc/13/57/71/384135771.db2.gz REBNPYJAAIJZKA-NEPJUHHUSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000079418514 384143103 /nfs/dbraw/zinc/14/31/03/384143103.db2.gz VRHZSCXFUATNSJ-UHFFFAOYSA-N 2 0 214.353 1.031 40 0 BDABRP CC(C)[N@H+](C)C1CCC([NH2+]CCO)CC1 ZINC000079418519 384143940 /nfs/dbraw/zinc/14/39/40/384143940.db2.gz JTCDTDLLVHAHFF-UHFFFAOYSA-N 2 0 214.353 1.220 40 0 BDABRP COC[C@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2 ZINC000096220371 384441775 /nfs/dbraw/zinc/44/17/75/384441775.db2.gz JJJFSFGQFRGEPL-CYBMUJFWSA-N 2 0 238.375 1.487 40 0 BDABRP C[NH+](C)Cc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096189458 384442337 /nfs/dbraw/zinc/44/23/37/384442337.db2.gz CIERSNOSWHSCGP-UHFFFAOYSA-N 2 0 245.370 1.911 40 0 BDABRP Cn1ncc(C[NH3+])c1C[NH+]1CCCCCC1 ZINC000408716803 384703990 /nfs/dbraw/zinc/70/39/90/384703990.db2.gz RAQWGULSDPLCOZ-UHFFFAOYSA-N 2 0 222.336 1.255 40 0 BDABRP CC[NH+]1CCN(c2cc(C)c([C@@H](C)[NH3+])cn2)CC1 ZINC000072223633 385115069 /nfs/dbraw/zinc/11/50/69/385115069.db2.gz CBXRLLYUAAFEFE-GFCCVEGCSA-N 2 0 248.374 1.552 40 0 BDABRP CC(C)COc1ccccc1CNCC[NH3+] ZINC000072226337 385125763 /nfs/dbraw/zinc/12/57/63/385125763.db2.gz OUURGWNLSFZCDG-UHFFFAOYSA-N 2 0 222.332 1.770 40 0 BDABRP CC(C)[C@@H]([NH3+])CC[NH+]1CCSCC1 ZINC000096523813 385268015 /nfs/dbraw/zinc/26/80/15/385268015.db2.gz DXIGWFIQTGTOTQ-JTQLQIEISA-N 2 0 202.367 1.409 40 0 BDABRP Cc1noc(C)c1CC[N@H+](C)CCCCC[NH3+] ZINC000096523834 385268928 /nfs/dbraw/zinc/26/89/28/385268928.db2.gz DQQSEPFWQDGFLD-UHFFFAOYSA-N 2 0 239.363 1.895 40 0 BDABRP CSCC[C@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000096523871 385272645 /nfs/dbraw/zinc/27/26/45/385272645.db2.gz NGSZGHRWNUMZGU-LBPRGKRZSA-N 2 0 245.436 1.093 40 0 BDABRP CCC[NH+](CCC)C[C@@H](O)C[NH2+]C1CC1 ZINC000036950390 385591431 /nfs/dbraw/zinc/59/14/31/385591431.db2.gz GTJCMTPGSORVRS-LBPRGKRZSA-N 2 0 214.353 1.221 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@@H]2CCC[C@H]21 ZINC000218842083 386250848 /nfs/dbraw/zinc/25/08/48/386250848.db2.gz PDUDSHLNNBVZFM-CHWSQXEVSA-N 2 0 225.380 1.155 40 0 BDABRP C[NH2+]Cc1ccc(CSCC[NH3+])o1 ZINC000059380076 386397096 /nfs/dbraw/zinc/39/70/96/386397096.db2.gz JRQYKULIUYUIQS-UHFFFAOYSA-N 2 0 200.307 1.191 40 0 in-vitro BDABRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248156219 386747290 /nfs/dbraw/zinc/74/72/90/386747290.db2.gz ZEFJJZJDPDVJSI-BPLDGKMQSA-N 2 0 245.370 1.902 40 0 BDABRP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH2+]C(C)C)O1 ZINC000242425488 388719369 /nfs/dbraw/zinc/71/93/69/388719369.db2.gz BKZOVCUXEKTPEJ-VXGBXAGGSA-N 2 0 214.353 1.530 40 0 BDABRP CC(C)CC[N@@H+]1C[C@@H]2C[NH2+][C@@H](C)[C@@H](C2)C1 ZINC000095093778 388760410 /nfs/dbraw/zinc/76/04/10/388760410.db2.gz ASNWQCZZCXAZLN-AVGNSLFASA-N 2 0 210.365 1.962 40 0 BDABRP COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218873219 175092884 /nfs/dbraw/zinc/09/28/84/175092884.db2.gz DBCVSLJONOHOAC-KBPBESRZSA-N 2 0 234.343 1.707 40 0 BDABRP CC(C)(O)c1ccc2c(c1)CC[N@@H+](CCC[NH3+])C2 ZINC000038539996 323089389 /nfs/dbraw/zinc/08/93/89/323089389.db2.gz FLLPLDJGUUILOV-UHFFFAOYSA-N 2 0 248.370 1.621 40 0 BDABRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000101711994 488126527 /nfs/dbraw/zinc/12/65/27/488126527.db2.gz VTJULCNKQLRXFZ-CMPLNLGQSA-N 2 0 217.316 1.690 40 0 BDABRP Cc1cc[n+](CC[n+]2ccc(C)cc2)cc1 ZINC000000149188 178308312 /nfs/dbraw/zinc/30/83/12/178308312.db2.gz LTSWTADDVUWPHA-UHFFFAOYSA-N 2 0 214.312 1.579 40 0 BDABRP C[C@@H](O)CN(Cc1ccccc1)C[C@H](C)[NH3+] ZINC000034620316 342726336 /nfs/dbraw/zinc/72/63/36/342726336.db2.gz RSXGAEPLEHQTKS-NWDGAFQWSA-N 2 0 222.332 1.217 40 0 BDABRP CCCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000051918825 259372323 /nfs/dbraw/zinc/37/23/23/259372323.db2.gz JXZNNISLWDGZRL-CQSZACIVSA-N 2 0 239.407 1.404 40 0 BDABRP Cc1[nH+]cc2cc([C@]3(C)CCC[NH2+]C3)nc(C)n21 ZINC000585261107 344372824 /nfs/dbraw/zinc/37/28/24/344372824.db2.gz OJZKNEAISXNYAK-CQSZACIVSA-N 2 0 244.342 1.987 40 0 BDABRP Cc1nn(C)c(C)c1CC[N@H+](C)CCCC[NH3+] ZINC000096523771 180335566 /nfs/dbraw/zinc/33/55/66/180335566.db2.gz XNNLHGAXZWKOIS-UHFFFAOYSA-N 2 0 238.379 1.250 40 0 BDABRP [NH3+]C1(Cc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000089157527 181332850 /nfs/dbraw/zinc/33/28/50/181332850.db2.gz ZQRFEADBVBFOPB-UHFFFAOYSA-N 2 0 224.735 1.963 40 0 BDABRP [NH3+]CC1CCC(C[NH+]2CCSCC2)CC1 ZINC000086478697 181363460 /nfs/dbraw/zinc/36/34/60/181363460.db2.gz SILIFMRBEYDVQC-UHFFFAOYSA-N 2 0 228.405 1.800 40 0 BDABRP [NH3+]CCCSCCSCCC[NH3+] ZINC000068605000 181385024 /nfs/dbraw/zinc/38/50/24/181385024.db2.gz AGWNPPHYGKSJKF-UHFFFAOYSA-N 2 0 208.396 1.150 40 0 BDABRP CC(C)[NH+]1CCN(c2ccc([C@@H](C)[NH3+])cn2)CC1 ZINC000072225616 259534040 /nfs/dbraw/zinc/53/40/40/259534040.db2.gz PTNMOBFGCYRMOZ-GFCCVEGCSA-N 2 0 248.374 1.632 40 0 BDABRP [NH3+]C[C@@H]1C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509452 181438882 /nfs/dbraw/zinc/43/88/82/181438882.db2.gz PGUYUNZVZQMLLJ-QWHCGFSZSA-N 2 0 202.301 1.597 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@H]2CCC[C@@H]21 ZINC000225715867 259541204 /nfs/dbraw/zinc/54/12/04/259541204.db2.gz PDUDSHLNNBVZFM-STQMWFEESA-N 2 0 225.380 1.155 40 0 BDABRP C[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000048551208 383910158 /nfs/dbraw/zinc/91/01/58/383910158.db2.gz YAYMXMVGKIKCOC-GFCCVEGCSA-N 2 0 225.380 1.284 40 0 BDABRP CCN(CC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393575 384133282 /nfs/dbraw/zinc/13/32/82/384133282.db2.gz NXPHMJZNKNRPJY-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP [NH3+][C@H]1[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645546 384649614 /nfs/dbraw/zinc/64/96/14/384649614.db2.gz PZBJODSAGVQRDZ-ITGUQSILSA-N 2 0 202.301 1.466 40 0 BDABRP Cc1ccc2[nH+]ccc(NCC[NH3+])c2c1 ZINC000107190645 384956087 /nfs/dbraw/zinc/95/60/87/384956087.db2.gz LXUXMEQYOWAXFB-UHFFFAOYSA-N 2 0 201.273 1.914 40 0 BDABRP c1cc(N2CC[NH2+]CC2)ncc1C1=[NH+]CCC1 ZINC000072216263 385093630 /nfs/dbraw/zinc/09/36/30/385093630.db2.gz SCWIVXYAONSZAL-UHFFFAOYSA-N 2 0 230.315 1.074 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]([NH3+])CCC)CC1 ZINC000096523992 385270714 /nfs/dbraw/zinc/27/07/14/385270714.db2.gz NHWPRPOVLFBUEC-ZDUSSCGKSA-N 2 0 227.396 1.532 40 0 BDABRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950433 385591520 /nfs/dbraw/zinc/59/15/20/385591520.db2.gz SRGZXIQVTVCGOL-NTZNESFSSA-N 2 0 226.364 1.077 40 0 BDABRP C[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750665 388400881 /nfs/dbraw/zinc/40/08/81/388400881.db2.gz ZVFZUUAVIAYGQA-SCZZXKLOSA-N 2 0 220.320 1.513 40 0 BDABRP CCN1CC[NH+](CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000043601164 388612195 /nfs/dbraw/zinc/61/21/95/388612195.db2.gz QHAFTBYARMJUPG-CQSZACIVSA-N 2 0 239.407 1.404 40 0 BDABRP COCCNc1ccc(C[C@@H]2CC[NH2+]C2)cn1 ZINC000257227655 174340917 /nfs/dbraw/zinc/34/09/17/174340917.db2.gz FQHDREBBEAMFIC-LBPRGKRZSA-N 2 0 235.331 1.292 40 0 BDABRP COc1ccc(NC[C@H]2C[C@@H]2C[NH3+])cc1 ZINC000096509430 175151757 /nfs/dbraw/zinc/15/17/57/175151757.db2.gz AYYUYSZJLIVLND-NXEZZACHSA-N 2 0 206.289 1.702 40 0 BDABRP COc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000011889013 175326383 /nfs/dbraw/zinc/32/63/83/175326383.db2.gz MVYZSUHEKZXIRB-UHFFFAOYSA-N 2 0 234.343 1.866 40 0 BDABRP C[C@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)C ZINC000102761562 177239169 /nfs/dbraw/zinc/23/91/69/177239169.db2.gz ZFMHJCHHDNGZAM-RWMBFGLXSA-N 2 0 227.396 1.256 40 0 BDABRP C([NH2+]C1CC1)[C@@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000242463464 398314074 /nfs/dbraw/zinc/31/40/74/398314074.db2.gz DBVWEWZTTDSHOA-RYUDHWBXSA-N 2 0 210.321 1.038 40 0 BDABRP Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)s1 ZINC000248118984 178590546 /nfs/dbraw/zinc/59/05/46/178590546.db2.gz UHTVMCZQSTYLCG-CNDDSTCGSA-N 2 0 222.357 1.693 40 0 BDABRP C[N@H+]1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112990 344137202 /nfs/dbraw/zinc/13/72/02/344137202.db2.gz ZOVOAWKHNZSQPQ-CYBMUJFWSA-N 2 0 234.347 1.356 40 0 BDABRP CC[C@H](C)[C@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083661 259374126 /nfs/dbraw/zinc/37/41/26/259374126.db2.gz VAHUKHUVWIYUCA-UONOGXRCSA-N 2 0 241.423 1.633 40 0 BDABRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCSC1 ZINC000049551865 344653000 /nfs/dbraw/zinc/65/30/00/344653000.db2.gz GSXFHLSOXLIOQA-UWVGGRQHSA-N 2 0 202.367 1.422 40 0 BDABRP C1C[NH2+]CC[NH2+]CCSCCCSC1 ZINC000068604721 188129131 /nfs/dbraw/zinc/12/91/31/188129131.db2.gz OLBGAVSLCWFXMA-UHFFFAOYSA-N 2 0 234.434 1.426 40 0 BDABRP CN(C[C@H]1CCCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000019439100 355334294 /nfs/dbraw/zinc/33/42/94/355334294.db2.gz KOQVTDASENOHDO-GFCCVEGCSA-N 2 0 225.380 1.155 40 0 BDABRP CC[C@@H](C)[C@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190176 259520316 /nfs/dbraw/zinc/52/03/16/259520316.db2.gz DDZMFNXEGLFZQJ-CHWSQXEVSA-N 2 0 227.396 1.386 40 0 BDABRP [NH3+]C1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000098213732 181333997 /nfs/dbraw/zinc/33/39/97/181333997.db2.gz DHUSTCBNCLAOJB-UHFFFAOYSA-N 2 0 210.708 1.877 40 0 BDABRP [NH3+]CCO[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390675 181399332 /nfs/dbraw/zinc/39/93/32/181399332.db2.gz WDWMGBAELVWZKR-AWEZNQCLSA-N 2 0 234.343 1.626 40 0 BDABRP CCC[NH+]1CCC2(CC1)C[C@@H]([NH3+])CCO2 ZINC000096510430 169191267 /nfs/dbraw/zinc/19/12/67/169191267.db2.gz ZUJHZMSRLPMRJH-NSHDSACASA-N 2 0 212.337 1.369 40 0 BDABRP C[n+]1ccccc1C1C(=O)c2ccccc2[N+]1=O ZINC000003845023 384028165 /nfs/dbraw/zinc/02/81/65/384028165.db2.gz HBLWZYLLTPADAQ-UHFFFAOYSA-N 2 0 239.254 1.339 40 0 BDABRP CC(C)[N@H+](CCO)C1CCC([NH+](C)C)CC1 ZINC000079406071 384135644 /nfs/dbraw/zinc/13/56/44/384135644.db2.gz DBMZECQYIOLMJZ-UHFFFAOYSA-N 2 0 228.380 1.562 40 0 BDABRP CC(C)N(C(=O)C[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079406991 384136110 /nfs/dbraw/zinc/13/61/10/384136110.db2.gz CNKYAUDRFAQNBC-UHFFFAOYSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407000 384136759 /nfs/dbraw/zinc/13/67/59/384136759.db2.gz REBNPYJAAIJZKA-RYUDHWBXSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)N(CC[NH3+])C[C@H]1CCCC[N@@H+]1C ZINC000079406294 384136952 /nfs/dbraw/zinc/13/69/52/384136952.db2.gz XIFUVZHNNRYTEM-GFCCVEGCSA-N 2 0 213.369 1.140 40 0 BDABRP CC(C)[N@H+](CCO)CC1CC[NH+](C)CC1 ZINC000079406065 384136983 /nfs/dbraw/zinc/13/69/83/384136983.db2.gz PFIAPFXLOARUBZ-UHFFFAOYSA-N 2 0 214.353 1.031 40 0 BDABRP C[NH+](C)C1CCC([N@H+](CCO)C2CC2)CC1 ZINC000079426382 384146898 /nfs/dbraw/zinc/14/68/98/384146898.db2.gz RWMPQWMWNWVMTC-UHFFFAOYSA-N 2 0 226.364 1.316 40 0 BDABRP [NH3+][C@@H]1C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000216407572 385056208 /nfs/dbraw/zinc/05/62/08/385056208.db2.gz HRHOQWHMSDKGIB-ZIAGYGMSSA-N 2 0 216.328 2.000 40 0 BDABRP CC[NH+]1CCN(c2ccc([C@H](C)[NH3+])c(C)n2)CC1 ZINC000072224679 385117945 /nfs/dbraw/zinc/11/79/45/385117945.db2.gz JWQJJTSCTPFFPZ-NSHDSACASA-N 2 0 248.374 1.552 40 0 BDABRP C[NH+]1CCN(c2ccc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216504 385098747 /nfs/dbraw/zinc/09/87/47/385098747.db2.gz YEKUARFFSBBRJE-ZDUSSCGKSA-N 2 0 246.358 1.258 40 0 BDABRP CCCC[NH+]1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523823 385267016 /nfs/dbraw/zinc/26/70/16/385267016.db2.gz BZVAWLABGDCPDD-CQSZACIVSA-N 2 0 241.423 1.778 40 0 BDABRP Cc1noc(C)c1CC[NH+]1CCC(C[NH3+])CC1 ZINC000096523636 385269647 /nfs/dbraw/zinc/26/96/47/385269647.db2.gz PEZONNXQJQVHAQ-UHFFFAOYSA-N 2 0 237.347 1.505 40 0 BDABRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218870548 386351485 /nfs/dbraw/zinc/35/14/85/386351485.db2.gz PKAFNOZHKZAREC-STQMWFEESA-N 2 0 204.317 1.699 40 0 BDABRP CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004129040 387562541 /nfs/dbraw/zinc/56/25/41/387562541.db2.gz DIQREXVGAWIWBR-BJDJZHNGSA-N 2 0 214.353 1.076 40 0 BDABRP C[N@@H+]1CCCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000020217784 388590885 /nfs/dbraw/zinc/59/08/85/388590885.db2.gz OVAIXYYSKZKZNO-HNNXBMFYSA-N 2 0 247.386 1.194 40 0 BDABRP C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000225607229 388838885 /nfs/dbraw/zinc/83/88/85/388838885.db2.gz VFJQQDKNVMXPLG-ZYHUDNBSSA-N 2 0 208.280 1.430 40 0 BDABRP CCCC[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000037049292 397968661 /nfs/dbraw/zinc/96/86/61/397968661.db2.gz WATXRGZRDXVOFC-UHFFFAOYSA-N 2 0 227.396 1.533 40 0 BDABRP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccccn2)CC1 ZINC000238689448 398114170 /nfs/dbraw/zinc/11/41/70/398114170.db2.gz REYVYFAQYPZIPF-XYPYZODXSA-N 2 0 205.305 1.441 40 0 BDABRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH2+]CC[C@@H]21 ZINC000306129264 167035933 /nfs/dbraw/zinc/03/59/33/167035933.db2.gz HYYRVRYJCPRSEQ-RDBSUJKOSA-N 2 0 248.374 1.344 40 0 BDABRP CC1CCC(O)(C[NH+]2CCC([NH3+])CC2)CC1 ZINC000096511432 168167461 /nfs/dbraw/zinc/16/74/61/168167461.db2.gz MFDKOXPQOIJQGD-UHFFFAOYSA-N 2 0 226.364 1.351 40 0 BDABRP CCOCCC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000218855960 170382326 /nfs/dbraw/zinc/38/23/26/170382326.db2.gz MCYAFTKGZSEWLU-GHMZBOCLSA-N 2 0 200.326 1.273 40 0 BDABRP CCn1cc(C[N@H+](C)CCCC[NH3+])c(C)n1 ZINC000096523776 172160680 /nfs/dbraw/zinc/16/06/80/172160680.db2.gz LIPAHDLUADJXPD-UHFFFAOYSA-N 2 0 224.352 1.382 40 0 BDABRP C[NH2+]C[C@@H]1C[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509387 173372373 /nfs/dbraw/zinc/37/23/73/173372373.db2.gz GGQRXWZCRLVXAI-GJZGRUSLSA-N 2 0 230.355 1.900 40 0 BDABRP NNc1cc(C[NH+]2CCCCC2)cc[nH+]1 ZINC000052723740 527273751 /nfs/dbraw/zinc/27/37/51/527273751.db2.gz LMEIKLTZCFGPCU-UHFFFAOYSA-N 2 0 206.293 1.353 40 0 BDABRP Cc1cc(N(C)C)cc([C@H]2CC[NH2+]C2)[nH+]1 ZINC000072344149 178094735 /nfs/dbraw/zinc/09/47/35/178094735.db2.gz YZRTWIHHRFIRLC-JTQLQIEISA-N 2 0 205.305 1.533 40 0 BDABRP CC[NH+](CC)[C@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210337 259316748 /nfs/dbraw/zinc/31/67/48/259316748.db2.gz FYOOYRIPBTWIDE-UONOGXRCSA-N 2 0 236.359 1.637 40 0 BDABRP C[n+]1cccc(CCc2ccc[n+](C)c2)c1 ZINC000001557563 342702890 /nfs/dbraw/zinc/70/28/90/342702890.db2.gz SYNKVXAJYUVYEU-UHFFFAOYSA-N 2 0 214.312 1.121 40 0 BDABRP CC[NH+](CC)CC[C@H](C[NH+](C)C)[C@@H](C)O ZINC000001717656 342710903 /nfs/dbraw/zinc/71/09/03/342710903.db2.gz LOIMWVSZLNMMQJ-VXGBXAGGSA-N 2 0 216.369 1.277 40 0 BDABRP CCOc1ccc(C[NH2+]CCC[NH2+]C)cc1 ZINC000008324073 342797722 /nfs/dbraw/zinc/79/77/22/342797722.db2.gz XUSRHJFUGQTKAN-UHFFFAOYSA-N 2 0 222.332 1.784 40 0 BDABRP CC[N@@H+]1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495886 259326119 /nfs/dbraw/zinc/32/61/19/259326119.db2.gz GROOQHFRWPFWFN-KBPBESRZSA-N 2 0 218.344 1.898 40 0 BDABRP C[C@@H](C[NH2+]CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219092 343559761 /nfs/dbraw/zinc/55/97/61/343559761.db2.gz NAZHXTMMFSTLLN-NSHDSACASA-N 2 0 244.379 1.506 40 0 BDABRP CCOc1cccc(C[NH2+]CCC[NH3+])c1 ZINC000037713886 323108079 /nfs/dbraw/zinc/10/80/79/323108079.db2.gz GZYVUKQMQGJILM-UHFFFAOYSA-N 2 0 208.305 1.524 40 0 BDABRP NC(=[NH2+])SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017610789 181192903 /nfs/dbraw/zinc/19/29/03/181192903.db2.gz XWYJFWSEMHIYBX-UWVGGRQHSA-N 2 0 227.377 1.878 40 0 BDABRP [NH3+]C1(Cc2ccccc2F)CC[NH2+]CC1 ZINC000096029437 181331909 /nfs/dbraw/zinc/33/19/09/181331909.db2.gz JPEPLGSCVUZHQT-UHFFFAOYSA-N 2 0 208.280 1.449 40 0 BDABRP [NH3+]CCC(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382573 181370529 /nfs/dbraw/zinc/37/05/29/181370529.db2.gz ANAXOBVFBZOIQA-RYUDHWBXSA-N 2 0 240.347 1.143 40 0 biogenic,in-vitro BDABRP C[NH+](C)CCC[NH+]1C[C@@H]2CC=CC[C@H]2C1 ZINC000001682885 383922739 /nfs/dbraw/zinc/92/27/39/383922739.db2.gz KSKOQEQIRRUHFO-STQMWFEESA-N 2 0 208.349 1.836 40 0 BDABRP C[NH+](C)C[C@H]1CCCC[C@H](C[NH+](C)C)C1=O ZINC000001717418 383928395 /nfs/dbraw/zinc/92/83/95/383928395.db2.gz QDDPJRXRDUAAMR-VXGBXAGGSA-N 2 0 226.364 1.485 40 0 BDABRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414457 384136799 /nfs/dbraw/zinc/13/67/99/384136799.db2.gz BXEJCZSUHCDQCG-CQSZACIVSA-N 2 0 233.359 1.151 40 0 BDABRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414494 384138078 /nfs/dbraw/zinc/13/80/78/384138078.db2.gz VPGCATPJUSKIPV-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH+](CCO)C1 ZINC000079414110 384137561 /nfs/dbraw/zinc/13/75/61/384137561.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 2 0 248.370 1.433 40 0 BDABRP CC(C)[N@H+](C)C1CCC(NC(=O)[C@H](C)[NH3+])CC1 ZINC000079419453 384143569 /nfs/dbraw/zinc/14/35/69/384143569.db2.gz NNXHCQLIIHFSJI-UNXYVOJBSA-N 2 0 241.379 1.101 40 0 BDABRP Cn1nc(C2CC2)cc1CN1CCC([NH3+])CC1 ZINC000012396958 384317516 /nfs/dbraw/zinc/31/75/16/384317516.db2.gz NGPWYWMHDKINCA-UHFFFAOYSA-N 2 0 234.347 1.221 40 0 BDABRP Cc1nc(N2CC[NH+](C)CC2)ccc1[C@@H](C)[NH3+] ZINC000072224652 385118803 /nfs/dbraw/zinc/11/88/03/385118803.db2.gz RBXHIDKSPWAVQX-SNVBAGLBSA-N 2 0 234.347 1.162 40 0 BDABRP CC[NH+]1CCN(c2ccc([C@H](C)[NH3+])cn2)CC1 ZINC000072225552 385122826 /nfs/dbraw/zinc/12/28/26/385122826.db2.gz VMPLEBFYTQRCKI-NSHDSACASA-N 2 0 234.347 1.243 40 0 BDABRP c1cnc(N2CC[NH2+]CC2)c(C2=[NH+]CCC2)c1 ZINC000072216323 385092472 /nfs/dbraw/zinc/09/24/72/385092472.db2.gz FBDCZBVXPNVJPF-UHFFFAOYSA-N 2 0 230.315 1.074 40 0 BDABRP C[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216327 385095188 /nfs/dbraw/zinc/09/51/88/385095188.db2.gz UHUYXOXQPORYMN-CYBMUJFWSA-N 2 0 246.358 1.258 40 0 BDABRP [NH3+]C[C@@H]1C[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000110748797 388649980 /nfs/dbraw/zinc/64/99/80/388649980.db2.gz BNOXARHBBQKXRU-KBPBESRZSA-N 2 0 216.328 1.640 40 0 BDABRP C[NH+](C)CCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000252516987 388654032 /nfs/dbraw/zinc/65/40/32/388654032.db2.gz YPIRJMMOVGXRPY-QWHCGFSZSA-N 2 0 225.380 1.155 40 0 BDABRP CC[NH+](CC)[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC000096208246 169798172 /nfs/dbraw/zinc/79/81/72/169798172.db2.gz QRPRDHNWVFJXSD-VXGBXAGGSA-N 2 0 212.337 1.239 40 0 BDABRP C[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515793 173037348 /nfs/dbraw/zinc/03/73/48/173037348.db2.gz ZVFZUUAVIAYGQA-WCBMZHEXSA-N 2 0 220.320 1.513 40 0 BDABRP Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1C[NH3+] ZINC000072224746 259322220 /nfs/dbraw/zinc/32/22/20/259322220.db2.gz VZQGVFQNPWFSAL-UHFFFAOYSA-N 2 0 248.374 1.379 40 0 BDABRP CC[NH+]1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC000096528802 343758981 /nfs/dbraw/zinc/75/89/81/343758981.db2.gz OKUUTSABESCQFY-SNVBAGLBSA-N 2 0 200.326 1.095 40 0 BDABRP [NH3+]CC(F)(C[NH3+])C/C=C/c1ccccc1 ZINC000585142206 343876627 /nfs/dbraw/zinc/87/66/27/343876627.db2.gz KLNPACACUWYCRK-QPJJXVBHSA-N 2 0 208.280 1.716 40 0 BDABRP [NH3+]CCC1CC[NH+](Cc2ccco2)CC1 ZINC000015424001 347113120 /nfs/dbraw/zinc/11/31/20/347113120.db2.gz UMXKWUCCUVFOOK-UHFFFAOYSA-N 2 0 208.305 1.840 40 0 BDABRP CN(CCC[NH3+])CCC[N@H+](C)Cc1ccccc1 ZINC000685936231 538755304 /nfs/dbraw/zinc/75/53/04/538755304.db2.gz LTZGZJMNMUWVRF-UHFFFAOYSA-N 2 0 249.402 1.789 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2cc(C3CC3)n[nH]2)CC1 ZINC000096523637 181365250 /nfs/dbraw/zinc/36/52/50/181365250.db2.gz CBZSHBLDOZRPEZ-UHFFFAOYSA-N 2 0 234.347 1.458 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019843461 181365560 /nfs/dbraw/zinc/36/55/60/181365560.db2.gz PLOUDBPWEYNUIA-UHFFFAOYSA-N 2 0 205.305 1.252 40 0 BDABRP [NH3+]CCCNc1cc[nH+]c2ccccc12 ZINC000019721387 181382910 /nfs/dbraw/zinc/38/29/10/181382910.db2.gz CYDKFQOINLSDGY-UHFFFAOYSA-N 2 0 201.273 1.996 40 0 BDABRP COc1cccc([C@H]2CN(C)C[C@H]2[NH3+])c1 ZINC000074184981 369867840 /nfs/dbraw/zinc/86/78/40/369867840.db2.gz CVUZDGAQAXALIR-VXGBXAGGSA-N 2 0 206.289 1.052 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000096523762 168830016 /nfs/dbraw/zinc/83/00/16/168830016.db2.gz CFXROVACEFESGV-AWEZNQCLSA-N 2 0 241.423 1.778 40 0 BDABRP C[NH+](C)CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000001682883 383922224 /nfs/dbraw/zinc/92/22/24/383922224.db2.gz KSKOQEQIRRUHFO-BETUJISGSA-N 2 0 208.349 1.836 40 0 BDABRP CNc1nc(NCCCCCC[NH3+])cc(C)[nH+]1 ZINC000008731115 383930545 /nfs/dbraw/zinc/93/05/45/383930545.db2.gz OOHFPELGXVPJTE-UHFFFAOYSA-N 2 0 237.351 1.758 40 0 BDABRP C[NH+](C)C[C@@H]1CCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593639 384016808 /nfs/dbraw/zinc/01/68/08/384016808.db2.gz QDDPJRXRDUAAMR-RYUDHWBXSA-N 2 0 226.364 1.485 40 0 BDABRP [NH2+]=c1ccn(C/C=C/Cn2ccc(=[NH2+])cc2)cc1 ZINC000409415811 384271876 /nfs/dbraw/zinc/27/18/76/384271876.db2.gz VIXACWFLBMLRBL-OWOJBTEDSA-N 2 0 240.310 1.505 40 0 BDABRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000104952895 384851275 /nfs/dbraw/zinc/85/12/75/384851275.db2.gz ZEFJJZJDPDVJSI-AEGPPILISA-N 2 0 245.370 1.902 40 0 BDABRP CC[C@@](C)([C@@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210358 385068005 /nfs/dbraw/zinc/06/80/05/385068005.db2.gz ILZQINXJZRKOEF-RYUDHWBXSA-N 2 0 214.353 1.208 40 0 BDABRP CC[C@H]([NH3+])c1cnc(N2CC[NH2+]CC2)c(C)c1 ZINC000072222541 385109731 /nfs/dbraw/zinc/10/97/31/385109731.db2.gz GSNDNEGNUUQFKB-LBPRGKRZSA-N 2 0 234.347 1.209 40 0 BDABRP CC[C@@H]([NH3+])c1ccc(N2CC[NH2+]CC2)nc1C ZINC000072224629 385117965 /nfs/dbraw/zinc/11/79/65/385117965.db2.gz RNXWVOVYMGXBOW-GFCCVEGCSA-N 2 0 234.347 1.209 40 0 BDABRP CC[C@@H]([NH3+])c1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225554 385122539 /nfs/dbraw/zinc/12/25/39/385122539.db2.gz GGUOOVJEERFBPA-CYBMUJFWSA-N 2 0 248.374 1.633 40 0 BDABRP Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cn1 ZINC000096523642 385267917 /nfs/dbraw/zinc/26/79/17/385267917.db2.gz FPBUABMSWMVKMH-UHFFFAOYSA-N 2 0 219.332 1.561 40 0 BDABRP CCCCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000096523718 385268131 /nfs/dbraw/zinc/26/81/31/385268131.db2.gz FAMXRDNEJGUJIV-UHFFFAOYSA-N 2 0 239.407 1.404 40 0 BDABRP c1nc2n(c1C[NH+]1CCCCC1)CC[NH2+]CC2 ZINC000306138700 385992567 /nfs/dbraw/zinc/99/25/67/385992567.db2.gz SERPHXLRFSNECG-UHFFFAOYSA-N 2 0 234.347 1.015 40 0 BDABRP Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C[NH3+])[C@@H]3C2)s1 ZINC000248118988 386744763 /nfs/dbraw/zinc/74/47/63/386744763.db2.gz UHTVMCZQSTYLCG-ZSBIGDGJSA-N 2 0 222.357 1.693 40 0 BDABRP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1 ZINC000242425486 388719684 /nfs/dbraw/zinc/71/96/84/388719684.db2.gz BKZOVCUXEKTPEJ-RYUDHWBXSA-N 2 0 214.353 1.530 40 0 BDABRP CC1(C)C[NH2+]CCSCC[NH2+]CCSC1 ZINC000068604762 167967474 /nfs/dbraw/zinc/96/74/74/167967474.db2.gz DDBMNZRWGASQNT-UHFFFAOYSA-N 2 0 248.461 1.672 40 0 BDABRP C[NH+](C)Cc1cnc(CC2CC[NH2+]CC2)cn1 ZINC000257234795 172506185 /nfs/dbraw/zinc/50/61/85/172506185.db2.gz GVCVMJREUOYSHF-UHFFFAOYSA-N 2 0 234.347 1.080 40 0 BDABRP C[NH+]1CCC2(CC1)N=C1CC[N@@H+](C)C[C@@H]1S2 ZINC000004963706 173003596 /nfs/dbraw/zinc/00/35/96/173003596.db2.gz HPIXOTNMJSLWPW-NSHDSACASA-N 2 0 239.388 1.300 40 0 BDABRP C[NH2+]C[C@@H]1C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509361 173371803 /nfs/dbraw/zinc/37/18/03/173371803.db2.gz CHBIEADHJMWUNG-UONOGXRCSA-N 2 0 216.328 1.858 40 0 BDABRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(N)=[NH2+] ZINC000066055342 177266190 /nfs/dbraw/zinc/26/61/90/177266190.db2.gz VTJULCNKQLRXFZ-JQWIXIFHSA-N 2 0 217.316 1.690 40 0 BDABRP [NH3+]C[C@@H](CO)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210328 259316645 /nfs/dbraw/zinc/31/66/45/259316645.db2.gz KGTXLTAWHMNUME-GJZGRUSLSA-N 2 0 248.370 1.781 40 0 BDABRP CCOC(=O)[C@H](CN)[C@H](C(C)C)[NH+]1CCCC1 ZINC000072210502 259316791 /nfs/dbraw/zinc/31/67/91/259316791.db2.gz WZCJBBPBXGAPGC-NEPJUHHUSA-N 2 0 242.363 1.245 40 0 BDABRP CC[N@@H+]1CC[C@@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495889 259325982 /nfs/dbraw/zinc/32/59/82/259325982.db2.gz GROOQHFRWPFWFN-ZIAGYGMSSA-N 2 0 218.344 1.898 40 0 BDABRP C([NH2+]C1CC1)[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000242463468 398314080 /nfs/dbraw/zinc/31/40/80/398314080.db2.gz DBVWEWZTTDSHOA-VXGBXAGGSA-N 2 0 210.321 1.038 40 0 BDABRP C[NH+](C)CCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218976 343559100 /nfs/dbraw/zinc/55/91/00/343559100.db2.gz ZKRCBBNCPZPAKW-UHFFFAOYSA-N 2 0 230.352 1.260 40 0 BDABRP C[C@H](C[NH2+]CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC000047219093 343559654 /nfs/dbraw/zinc/55/96/54/343559654.db2.gz NAZHXTMMFSTLLN-LLVKDONJSA-N 2 0 244.379 1.506 40 0 BDABRP Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH3+])C2)c1 ZINC000216531062 179085082 /nfs/dbraw/zinc/08/50/82/179085082.db2.gz CNRWJJZHBABOCP-ZIAGYGMSSA-N 2 0 216.328 1.776 40 0 BDABRP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCC[NH3+] ZINC000002042698 346492661 /nfs/dbraw/zinc/49/26/61/346492661.db2.gz ZAHSEHDQGJUREZ-GFCCVEGCSA-N 3 0 215.385 1.435 40 0 BDABRP C[C@@H](CCCSC(N)=[NH2+])SC(N)=[NH2+] ZINC000006487129 346650201 /nfs/dbraw/zinc/65/02/01/346650201.db2.gz MFTAWSYZMDFPBN-YFKPBYRVSA-N 2 0 220.367 1.408 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000096523632 181365772 /nfs/dbraw/zinc/36/57/72/181365772.db2.gz JFNDKIRBXSZXJL-UHFFFAOYSA-N 2 0 244.342 1.734 40 0 BDABRP [NH3+]CCC12C[C@H]3C[C@H](CC(C[NH3+])(C3)C1)C2 ZINC000000333461 181370154 /nfs/dbraw/zinc/37/01/54/181370154.db2.gz VQVDVZHBDMKOCQ-MPEURRAXSA-N 2 0 208.349 1.881 40 0 BDABRP [NH3+]CCOC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079390672 181399192 /nfs/dbraw/zinc/39/91/92/181399192.db2.gz TVTJYNDURJBHRQ-AWEZNQCLSA-N 2 0 234.343 1.484 40 0 BDABRP CCN1CC[NH+](CCCCCC[NH3+])CC1 ZINC000019794300 371190266 /nfs/dbraw/zinc/19/02/66/371190266.db2.gz DWAPUIODRHWFDP-UHFFFAOYSA-N 2 0 213.369 1.143 40 0 BDABRP CC[C@@H](C)[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073297 371227140 /nfs/dbraw/zinc/22/71/40/371227140.db2.gz WOLISEURCOIINU-YPMHNXCESA-N 2 0 227.396 1.386 40 0 BDABRP Cc1ccc([C@@H]2C[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000216408948 371751705 /nfs/dbraw/zinc/75/17/05/371751705.db2.gz UTTGTIYNDWGBEC-OLZOCXBDSA-N 2 0 204.317 1.599 40 0 BDABRP CCCC[N@H+](CC)C[C@@H](O)C[NH2+]C1CC1 ZINC000034978517 384009306 /nfs/dbraw/zinc/00/93/06/384009306.db2.gz HFRCFHDXTUFJHP-LBPRGKRZSA-N 2 0 214.353 1.221 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+] ZINC000079414473 384135918 /nfs/dbraw/zinc/13/59/18/384135918.db2.gz NNVVZNJLUYXBRE-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])C1CCC([NH+](C)C)CC1 ZINC000079407250 384137058 /nfs/dbraw/zinc/13/70/58/384137058.db2.gz ICEKJABMGPCNMV-UNXYVOJBSA-N 2 0 241.379 1.055 40 0 BDABRP C[NH+](C)C[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2 ZINC000096217470 384442952 /nfs/dbraw/zinc/44/29/52/384442952.db2.gz NIKSBNPOQHBXIL-OCCSQVGLSA-N 2 0 238.375 1.439 40 0 BDABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000100267969 384628123 /nfs/dbraw/zinc/62/81/23/384628123.db2.gz REYVYFAQYPZIPF-PHIMTYICSA-N 2 0 205.305 1.441 40 0 BDABRP CCOCCOc1ccccc1CNCC[NH3+] ZINC000072226465 385126406 /nfs/dbraw/zinc/12/64/06/385126406.db2.gz NFPBIFPEQUZWQX-UHFFFAOYSA-N 2 0 238.331 1.150 40 0 BDABRP C[C@@H]([NH3+])CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000037608817 386082688 /nfs/dbraw/zinc/08/26/88/386082688.db2.gz HDAJSXZPZQWEHC-CQSZACIVSA-N 2 0 247.386 1.542 40 0 BDABRP CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000218873888 167224058 /nfs/dbraw/zinc/22/40/58/167224058.db2.gz ARDDYTTVTDFFBK-GHMZBOCLSA-N 2 0 200.326 1.271 40 0 BDABRP CCOCCC[NH2+][C@H]1CCCC[C@@H]1[NH3+] ZINC000218855898 170383036 /nfs/dbraw/zinc/38/30/36/170383036.db2.gz MCYAFTKGZSEWLU-QWRGUYRKSA-N 2 0 200.326 1.273 40 0 BDABRP C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000082945365 173192192 /nfs/dbraw/zinc/19/21/92/173192192.db2.gz VFJQQDKNVMXPLG-JQWIXIFHSA-N 2 0 208.280 1.430 40 0 BDABRP C[NH2+]C[C@H]1C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509362 173382720 /nfs/dbraw/zinc/38/27/20/173382720.db2.gz CHBIEADHJMWUNG-ZIAGYGMSSA-N 2 0 216.328 1.858 40 0 BDABRP Fc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072202929 487994620 /nfs/dbraw/zinc/99/46/20/487994620.db2.gz HYXPZNWGOSZZQO-GFCCVEGCSA-N 2 0 222.307 1.915 40 0 BDABRP Cc1cc(NCCCCCC[NH3+])nc(N)[nH+]1 ZINC000015418416 178158243 /nfs/dbraw/zinc/15/82/43/178158243.db2.gz UKKUQDHHYGGLDZ-UHFFFAOYSA-N 2 0 223.324 1.298 40 0 BDABRP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(C[NH3+])C2)cc1 ZINC000096509108 343754932 /nfs/dbraw/zinc/75/49/32/343754932.db2.gz KLKXQMSUZMOTNO-KBPBESRZSA-N 2 0 216.328 1.776 40 0 BDABRP CC[NH+](CC)CC[C@H]1C[N@H+](C)Cc2ccnn21 ZINC000585112269 344136681 /nfs/dbraw/zinc/13/66/81/344136681.db2.gz MGUDGYAHPGLCLO-ZDUSSCGKSA-N 2 0 236.363 1.602 40 0 BDABRP CN(CC1([NH3+])CCCCC1)C1CC[NH+](C)CC1 ZINC000020073340 349251160 /nfs/dbraw/zinc/25/11/60/349251160.db2.gz LUKDPKBGGGZOAX-UHFFFAOYSA-N 2 0 239.407 1.674 40 0 BDABRP C(C1CCCC1)[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000096208749 191055838 /nfs/dbraw/zinc/05/58/38/191055838.db2.gz VFLNSXFFGRZZKN-CHWSQXEVSA-N 2 0 224.348 1.097 40 0 BDABRP Cn1cncc1C1CCN(Cc2ncc[nH]2)CC1 ZINC000257302096 188369293 /nfs/dbraw/zinc/36/92/93/188369293.db2.gz SBNJGOHVWDGACV-UHFFFAOYSA-N 2 0 245.330 1.523 40 0 BDABRP C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(Cl)cc2)C1 ZINC000225607336 259540099 /nfs/dbraw/zinc/54/00/99/259540099.db2.gz WZBGXWRNEQOOCJ-CMPLNLGQSA-N 2 0 224.735 1.944 40 0 BDABRP CC[C@@H](C)[C@@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074324 371227190 /nfs/dbraw/zinc/22/71/90/371227190.db2.gz SDYMBIVUPANRCP-OCCSQVGLSA-N 2 0 235.375 1.929 40 0 BDABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000100267978 181591010 /nfs/dbraw/zinc/59/10/10/181591010.db2.gz CWZZKRJIYPRLLO-TXEJJXNPSA-N 2 0 205.305 1.441 40 0 BDABRP C[C@@H]([NH3+])CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062036376 384134218 /nfs/dbraw/zinc/13/42/18/384134218.db2.gz UTIBOHILZIMKDJ-GFCCVEGCSA-N 2 0 225.380 1.141 40 0 BDABRP C[NH+](C)[C@H]1CCCC[C@@H]1N(CC[NH3+])C1CC1 ZINC000079406396 384135243 /nfs/dbraw/zinc/13/52/43/384135243.db2.gz VFPRPBYSHOJXEH-STQMWFEESA-N 2 0 225.380 1.282 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407254 384137237 /nfs/dbraw/zinc/13/72/37/384137237.db2.gz KEBPBVLTDLEJFZ-SDDRHHMPSA-N 2 0 241.379 1.055 40 0 BDABRP CCC[N@H+](CC)Cc1c(C[NH3+])cnn1C ZINC000408716562 384704280 /nfs/dbraw/zinc/70/42/80/384704280.db2.gz OICVLGKJMPLRBE-UHFFFAOYSA-N 2 0 210.325 1.111 40 0 BDABRP [NH3+]Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000022763319 384774989 /nfs/dbraw/zinc/77/49/89/384774989.db2.gz UQNMTLIVIOFSQQ-OAHLLOKOSA-N 2 0 245.370 1.425 40 0 BDABRP CSCC[C@@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000096523870 385272197 /nfs/dbraw/zinc/27/21/97/385272197.db2.gz NGSZGHRWNUMZGU-GFCCVEGCSA-N 2 0 245.436 1.093 40 0 BDABRP C1CCC([N@@H+]2CCOC3(CC[NH2+]CC3)C2)CC1 ZINC000096531558 385283264 /nfs/dbraw/zinc/28/32/64/385283264.db2.gz HKYZYJJMLNSZTG-UHFFFAOYSA-N 2 0 238.375 1.774 40 0 BDABRP C[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000095097502 385434676 /nfs/dbraw/zinc/43/46/76/385434676.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 2 0 226.364 1.173 40 0 BDABRP CN(Cc1cn2c(n1)CNCC2)Cc1ccco1 ZINC000107491782 388616767 /nfs/dbraw/zinc/61/67/67/388616767.db2.gz LBMQRXDRRCNCJA-UHFFFAOYSA-N 2 0 246.314 1.211 40 0 BDABRP C[NH+]1CCC(N2CC[NH2+][C@@H]3CCCC[C@@H]32)CC1 ZINC000225713704 388840939 /nfs/dbraw/zinc/84/09/39/388840939.db2.gz WEDOSQOFDUQFFJ-KGLIPLIRSA-N 2 0 237.391 1.297 40 0 BDABRP Cc1cccc(C)c1N1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000001680767 132314546 /nfs/dbraw/zinc/31/45/46/132314546.db2.gz JDQXWWZDWBORMC-UHFFFAOYSA-N 2 0 245.330 1.489 40 0 BDABRP CC1CCC(O)(CN2CCC[C@H]([NH3+])C2)CC1 ZINC000096511430 168167628 /nfs/dbraw/zinc/16/76/28/168167628.db2.gz VSIGLIFPYRJLME-CPCZMJQVSA-N 2 0 226.364 1.351 40 0 BDABRP C[NH2+]CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000015424034 173343283 /nfs/dbraw/zinc/34/32/83/173343283.db2.gz RVMXULWQNVXTBJ-UHFFFAOYSA-N 2 0 233.359 1.903 40 0 BDABRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218874420 398243799 /nfs/dbraw/zinc/24/37/99/398243799.db2.gz WJGVXTQYDKCYTE-MNOVXSKESA-N 2 0 210.346 1.760 40 0 BDABRP CC1CC[NH+](C[C@H]2CCCN2CC[NH3+])CC1 ZINC000072207552 259315359 /nfs/dbraw/zinc/31/53/59/259315359.db2.gz APLDOVZSHWXLAG-CYBMUJFWSA-N 2 0 225.380 1.141 40 0 BDABRP C[n+]1ccccc1CCc1cccc[n+]1C ZINC000001557557 342702917 /nfs/dbraw/zinc/70/29/17/342702917.db2.gz FMDOBUPXNFNYHJ-UHFFFAOYSA-N 2 0 214.312 1.121 40 0 BDABRP COC(=O)CC[NH2+]CCCCCCN1CC1 ZINC000001667812 342707611 /nfs/dbraw/zinc/70/76/11/342707611.db2.gz CAKYWOVQRFNRMO-UHFFFAOYSA-N 2 0 228.336 1.015 40 0 BDABRP c1cc(N2CC[NH2+]CC2)ncc1[C@@H]1CCCC[NH2+]1 ZINC000072216294 259317956 /nfs/dbraw/zinc/31/79/56/259317956.db2.gz PBXGSBWLQKLVMC-ZDUSSCGKSA-N 2 0 246.358 1.306 40 0 BDABRP CC[N@@H+]1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000242495887 259326239 /nfs/dbraw/zinc/32/62/39/259326239.db2.gz GROOQHFRWPFWFN-KGLIPLIRSA-N 2 0 218.344 1.898 40 0 BDABRP CC[N@@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515795 343757353 /nfs/dbraw/zinc/75/73/53/343757353.db2.gz KKBBBUBRGOOPKF-GXSJLCMTSA-N 2 0 234.347 1.903 40 0 BDABRP [NH3+]CC(F)(C[NH3+])CCCc1ccccc1 ZINC000585142651 343876793 /nfs/dbraw/zinc/87/67/93/343876793.db2.gz RTGDTTODUCYVTM-UHFFFAOYSA-N 2 0 210.296 1.635 40 0 BDABRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000101033551 344418566 /nfs/dbraw/zinc/41/85/66/344418566.db2.gz GLFBPDDMMVIVQJ-WCQYABFASA-N 2 0 204.317 1.713 40 0 BDABRP NC(=[NH2+])SC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000136515138 346238677 /nfs/dbraw/zinc/23/86/77/346238677.db2.gz XWYJFWSEMHIYBX-NXEZZACHSA-N 2 0 227.377 1.878 40 0 BDABRP CC[NH2+][C@@H]1CCOC2(CC[NH+](C)CC2)C1 ZINC000205673344 347452699 /nfs/dbraw/zinc/45/26/99/347452699.db2.gz CORASFOHUQMNPZ-LLVKDONJSA-N 2 0 212.337 1.239 40 0 BDABRP C[n+]1cccc(Oc2ccc[n+](C)c2)c1 ZINC000001590238 188273942 /nfs/dbraw/zinc/27/39/42/188273942.db2.gz XVJUCIGOHUQQHK-UHFFFAOYSA-N 2 0 202.257 1.128 40 0 BDABRP CC(C)[N@H+](C)C[C@@H]1CCCCN1CC[NH3+] ZINC000079419011 188292321 /nfs/dbraw/zinc/29/23/21/188292321.db2.gz NDTDLOBXIYRUBZ-LBPRGKRZSA-N 2 0 213.369 1.140 40 0 BDABRP [NH3+]CCC(=O)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000005382564 181370210 /nfs/dbraw/zinc/37/02/10/181370210.db2.gz ANAXOBVFBZOIQA-NEPJUHHUSA-N 2 0 240.347 1.143 40 0 biogenic,in-vitro BDABRP CN(CCc1ccccn1)C[C@@H]1CCCC[NH2+]1 ZINC000020074297 371226768 /nfs/dbraw/zinc/22/67/68/371226768.db2.gz YBJOCACJYAPFLM-AWEZNQCLSA-N 2 0 233.359 1.698 40 0 BDABRP CC[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000020073876 371227246 /nfs/dbraw/zinc/22/72/46/371227246.db2.gz YGQYCXSQHFYNQP-UHFFFAOYSA-N 2 0 225.380 1.286 40 0 BDABRP CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1CC[C@@H]([NH3+])CC1 ZINC000242750694 372291765 /nfs/dbraw/zinc/29/17/65/372291765.db2.gz ZWDZXQXFUGOWAX-KXUCPTDWSA-N 2 0 228.336 1.173 40 0 BDABRP CCC[C@@H]([NH3+])CN1CC[NH+](CCC)CC1 ZINC000036873579 169392519 /nfs/dbraw/zinc/39/25/19/169392519.db2.gz AENFXKDCVHKIFD-GFCCVEGCSA-N 2 0 213.369 1.141 40 0 BDABRP C[NH+](C)C[C@H]1CCCC[C@@H](C[NH+](C)C)C1=O ZINC000003593638 384018648 /nfs/dbraw/zinc/01/86/48/384018648.db2.gz QDDPJRXRDUAAMR-TXEJJXNPSA-N 2 0 226.364 1.485 40 0 BDABRP CC(C)N(C[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407318 384136286 /nfs/dbraw/zinc/13/62/86/384136286.db2.gz MNSZNYKZAOELMJ-NWDGAFQWSA-N 2 0 241.379 1.055 40 0 BDABRP CCN(CC[NH3+])[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406238 384136656 /nfs/dbraw/zinc/13/66/56/384136656.db2.gz ZYHPYFWBANWSIC-NWDGAFQWSA-N 2 0 213.369 1.140 40 0 BDABRP CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419466 384145480 /nfs/dbraw/zinc/14/54/80/384145480.db2.gz SJWCBRSIHPELSO-SDDRHHMPSA-N 2 0 241.379 1.101 40 0 BDABRP CC[C@H](C)[C@H]([NH3+])CN1CC[NH+](C(C)C)CC1 ZINC000036190178 384181820 /nfs/dbraw/zinc/18/18/20/384181820.db2.gz DDZMFNXEGLFZQJ-QWHCGFSZSA-N 2 0 227.396 1.386 40 0 BDABRP CCCC[NH+]1CCN(CCCCCC[NH3+])CC1 ZINC000096523738 385266364 /nfs/dbraw/zinc/26/63/64/385266364.db2.gz JAMWDRDQPMECBO-UHFFFAOYSA-N 2 0 241.423 1.923 40 0 BDABRP CC(C)[C@@H]([NH3+])CCN1CC[NH+](C(C)C)CC1 ZINC000096523819 385267209 /nfs/dbraw/zinc/26/72/09/385267209.db2.gz YIHHDFBTZZWOPI-ZDUSSCGKSA-N 2 0 227.396 1.386 40 0 BDABRP CC(C)[C@H]([NH3+])CCN(C)C1CC[NH+](C)CC1 ZINC000096523798 385268812 /nfs/dbraw/zinc/26/88/12/385268812.db2.gz HOGARXFHDOYYGB-CYBMUJFWSA-N 2 0 227.396 1.386 40 0 BDABRP CC(C)[C@]1([NH3+])CCN(c2cc[nH+]cc2)C1 ZINC000095098152 385485846 /nfs/dbraw/zinc/48/58/46/385485846.db2.gz CPORURNIKHIRQY-LBPRGKRZSA-N 2 0 205.305 1.645 40 0 BDABRP C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950435 385824775 /nfs/dbraw/zinc/82/47/75/385824775.db2.gz SRGZXIQVTVCGOL-NQBHXWOUSA-N 2 0 226.364 1.077 40 0 BDABRP CC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000004129041 387562310 /nfs/dbraw/zinc/56/23/10/387562310.db2.gz DIQREXVGAWIWBR-YFKTTZPYSA-N 2 0 214.353 1.076 40 0 BDABRP C[Si](C)(C)[NH2+]CC[NH2+][Si](C)(C)C ZINC000195763923 388586594 /nfs/dbraw/zinc/58/65/94/388586594.db2.gz AOZQTURTLIEFNQ-UHFFFAOYSA-N 2 0 204.466 1.835 40 0 BDABRP C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020705 388611082 /nfs/dbraw/zinc/61/10/82/388611082.db2.gz SRGZXIQVTVCGOL-LOWVWBTDSA-N 2 0 226.364 1.077 40 0 BDABRP CC[C@H](C)[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073299 171372915 /nfs/dbraw/zinc/37/29/15/171372915.db2.gz WOLISEURCOIINU-AAEUAGOBSA-N 2 0 227.396 1.386 40 0 BDABRP C[NH+](C)[C@@H]1CCCC[C@H]1N(CC[NH3+])C1CC1 ZINC000079406399 172522939 /nfs/dbraw/zinc/52/29/39/172522939.db2.gz VFPRPBYSHOJXEH-CHWSQXEVSA-N 2 0 225.380 1.282 40 0 BDABRP C[NH2+]CCC[NH2+]C/C=C/c1ccccc1 ZINC000008376902 173348670 /nfs/dbraw/zinc/34/86/70/173348670.db2.gz SLOMLOMTVOVWHG-WEVVVXLNSA-N 2 0 204.317 1.899 40 0 BDABRP COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000011888371 175328258 /nfs/dbraw/zinc/32/82/58/175328258.db2.gz NDMLOMNKVNVUMR-LBPRGKRZSA-N 2 0 234.343 1.866 40 0 BDABRP C[C@H](c1cnccn1)[NH+]1CCC(C[NH3+])CC1 ZINC000070026272 177051275 /nfs/dbraw/zinc/05/12/75/177051275.db2.gz LXRCXECBVRJRIV-SNVBAGLBSA-N 2 0 220.320 1.208 40 0 BDABRP N[C@@H](CC[NH+]1CCCCC1)C[NH+]1CCCCC1 ZINC000019366564 342946699 /nfs/dbraw/zinc/94/66/99/342946699.db2.gz NTCMQIAVHJSZET-AWEZNQCLSA-N 2 0 239.407 1.676 40 0 BDABRP Cc1ccc2c(c1)C[NH2+]CC1(CC[NH+](C)CC1)O2 ZINC000019219566 342944228 /nfs/dbraw/zinc/94/42/28/342944228.db2.gz ZDXZAZGEKIGFFN-UHFFFAOYSA-N 2 0 246.354 1.941 40 0 BDABRP NC(=[NH2+])SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000136515103 346238494 /nfs/dbraw/zinc/23/84/94/346238494.db2.gz XWYJFWSEMHIYBX-VHSXEESVSA-N 2 0 227.377 1.878 40 0 BDABRP Cc1cccc2c(NCC[NH3+])cc[nH+]c12 ZINC000107190647 179211877 /nfs/dbraw/zinc/21/18/77/179211877.db2.gz JAPIOIRUOWGHOD-UHFFFAOYSA-N 2 0 201.273 1.914 40 0 BDABRP CC(C)[N@H+](C)C[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224938 191055908 /nfs/dbraw/zinc/05/59/08/191055908.db2.gz QSHKGPUACNBDMU-ZDUSSCGKSA-N 2 0 240.391 1.875 40 0 BDABRP CC(C)[N@H+](C)C[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC000096224939 191055990 /nfs/dbraw/zinc/05/59/90/191055990.db2.gz QSHKGPUACNBDMU-CYBMUJFWSA-N 2 0 240.391 1.875 40 0 BDABRP CN(C[C@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505607 356720899 /nfs/dbraw/zinc/72/08/99/356720899.db2.gz DJNLEQIRDJCRKS-LBPRGKRZSA-N 2 0 225.380 1.012 40 0 BDABRP C[NH+](C)[C@H]1CCC[N@H+](CC2(C)COC2)CC1 ZINC000429531332 201111650 /nfs/dbraw/zinc/11/16/50/201111650.db2.gz RIAQFVBCUFZUSM-LBPRGKRZSA-N 2 0 226.364 1.439 40 0 BDABRP CC[C@@H](C)[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000020073300 371227250 /nfs/dbraw/zinc/22/72/50/371227250.db2.gz WOLISEURCOIINU-DGCLKSJQSA-N 2 0 227.396 1.386 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177545 169652507 /nfs/dbraw/zinc/65/25/07/169652507.db2.gz ICEKJABMGPCNMV-SDDRHHMPSA-N 2 0 241.379 1.055 40 0 BDABRP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H](C3)C2)cc1 ZINC000000405306 383865766 /nfs/dbraw/zinc/86/57/66/383865766.db2.gz KAAITWOSDOCHEH-OKILXGFUSA-N 2 0 216.328 1.728 40 0 BDABRP C[NH+](C)CCC[NH+]1C[C@H]2CC=CC[C@@H]2C1 ZINC000001682884 383922616 /nfs/dbraw/zinc/92/26/16/383922616.db2.gz KSKOQEQIRRUHFO-CHWSQXEVSA-N 2 0 208.349 1.836 40 0 BDABRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1nccs1 ZINC000070733413 383960942 /nfs/dbraw/zinc/96/09/42/383960942.db2.gz XCTVDPVUAJGJNR-SECBINFHSA-N 2 0 225.361 1.793 40 0 BDABRP [NH3+]CCOCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079390686 384134496 /nfs/dbraw/zinc/13/44/96/384134496.db2.gz YSXMCCRZOMUYMG-UHFFFAOYSA-N 2 0 248.370 1.874 40 0 BDABRP [NH3+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC000100134607 384288837 /nfs/dbraw/zinc/28/88/37/384288837.db2.gz LBYALFWGJOLWMN-OKILXGFUSA-N 2 0 237.391 1.284 40 0 BDABRP c1ccc([C@H]2C[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000044675893 384351203 /nfs/dbraw/zinc/35/12/03/384351203.db2.gz BASFYRLYJAZPPL-ZIAGYGMSSA-N 2 0 216.328 1.884 40 0 BDABRP C[NH+](C)CCCNC(=[NH2+])c1ccccc1 ZINC000001685208 384434851 /nfs/dbraw/zinc/43/48/51/384434851.db2.gz ZAKJYPOIEARPSG-UHFFFAOYSA-N 2 0 205.305 1.553 40 0 BDABRP [NH3+][C@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000102226981 384701017 /nfs/dbraw/zinc/70/10/17/384701017.db2.gz HNIYDVDUPHDDRF-AAEUAGOBSA-N 2 0 202.301 1.707 40 0 BDABRP CCCn1nc(C)cc1C[N@H+](C)CCCC[NH3+] ZINC000096523775 385266831 /nfs/dbraw/zinc/26/68/31/385266831.db2.gz KAVGVOWTKYFWBM-UHFFFAOYSA-N 2 0 238.379 1.772 40 0 BDABRP CC(C)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000051919038 387450118 /nfs/dbraw/zinc/45/01/18/387450118.db2.gz JUJAOJHPGBFSSZ-AWEZNQCLSA-N 2 0 239.407 1.402 40 0 BDABRP [NH3+][C@H]1CC[NH2+][C@H](Cc2ccc(Cl)cc2)C1 ZINC000147072004 388671277 /nfs/dbraw/zinc/67/12/77/388671277.db2.gz SGVKWPSGJHWMGH-NWDGAFQWSA-N 2 0 224.735 1.962 40 0 BDABRP CC(C)N1CC[NH+](CCCCC[NH3+])CC1 ZINC000037049321 397968700 /nfs/dbraw/zinc/96/87/00/397968700.db2.gz METSGVKKTGURTJ-UHFFFAOYSA-N 2 0 213.369 1.141 40 0 BDABRP C[N@@H+]1CCCN(CC2([NH3+])CCCCC2)CC1 ZINC000020217805 173013332 /nfs/dbraw/zinc/01/33/32/173013332.db2.gz PJJVVESCTBSWDG-UHFFFAOYSA-N 2 0 225.380 1.286 40 0 BDABRP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000218873155 175091950 /nfs/dbraw/zinc/09/19/50/175091950.db2.gz DBCVSLJONOHOAC-UONOGXRCSA-N 2 0 234.343 1.707 40 0 BDABRP COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000083017746 175183512 /nfs/dbraw/zinc/18/35/12/175183512.db2.gz HKMUZIJDOFHNOP-AAEUAGOBSA-N 2 0 220.316 1.299 40 0 BDABRP CCOC(=O)[C@@H](CN)[C@@H](C(C)C)[NH+](CC)CC ZINC000072210498 259316933 /nfs/dbraw/zinc/31/69/33/259316933.db2.gz GBNKWVMMVXFDQT-NWDGAFQWSA-N 2 0 244.379 1.491 40 0 BDABRP CC[NH+](CC)CC[C@@H]1C[N@H+](C)Cc2ccnn21 ZINC000585112266 344136692 /nfs/dbraw/zinc/13/66/92/344136692.db2.gz MGUDGYAHPGLCLO-CYBMUJFWSA-N 2 0 236.363 1.602 40 0 BDABRP CC(C)[N@H+](C)Cc1[nH]nc2c1CC[NH+](C)C2 ZINC000096255843 191055929 /nfs/dbraw/zinc/05/59/29/191055929.db2.gz WAZNLXUQHYXSLF-UHFFFAOYSA-N 2 0 222.336 1.238 40 0 BDABRP C(C[C@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000034449398 259411451 /nfs/dbraw/zinc/41/14/51/259411451.db2.gz AQXWAAMFWWPWLC-GFCCVEGCSA-N 2 0 212.337 1.098 40 0 BDABRP [NH3+]C1(Cc2ccccc2Cl)CC[NH2+]CC1 ZINC000090494978 181332635 /nfs/dbraw/zinc/33/26/35/181332635.db2.gz CSRZFQQMCRGDHV-UHFFFAOYSA-N 2 0 224.735 1.963 40 0 BDABRP [NH3+]C1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000098213749 181335420 /nfs/dbraw/zinc/33/54/20/181335420.db2.gz UJNZKCWXWZHQBE-UHFFFAOYSA-N 2 0 210.708 1.877 40 0 BDABRP [NH3+]CC1=CCC[N@H+](Cc2ccccc2)C1 ZINC000090608708 181364363 /nfs/dbraw/zinc/36/43/63/181364363.db2.gz ANFFEGIUXFJRJN-UHFFFAOYSA-N 2 0 202.301 1.777 40 0 BDABRP CCC[NH+]1CCC2(CC1)C[C@H]([NH3+])CCO2 ZINC000096510429 169191458 /nfs/dbraw/zinc/19/14/58/169191458.db2.gz ZUJHZMSRLPMRJH-LLVKDONJSA-N 2 0 212.337 1.369 40 0 BDABRP CCC[NH+]1CCN(C[C@@H]([NH3+])CCSC)CC1 ZINC000096523864 169202547 /nfs/dbraw/zinc/20/25/47/169202547.db2.gz CEKYCLWLJSWZOC-LBPRGKRZSA-N 2 0 245.436 1.094 40 0 BDABRP C[NH+](C)C[C@H]1CCCCC[C@H](C[NH+](C)C)C1=O ZINC000003593636 384016796 /nfs/dbraw/zinc/01/67/96/384016796.db2.gz IFVFPEMDOGILFX-CHWSQXEVSA-N 2 0 240.391 1.875 40 0 BDABRP CN(CC[NH3+])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393562 384133901 /nfs/dbraw/zinc/13/39/01/384133901.db2.gz HMTWBNWPPYHXGB-OAHLLOKOSA-N 2 0 247.386 1.399 40 0 BDABRP [NH3+]C[C@H](CO)C1([NH+]2CCCCC2)CCCC1 ZINC000072210389 384154077 /nfs/dbraw/zinc/15/40/77/384154077.db2.gz LFHVZPSMNZIOHO-GFCCVEGCSA-N 2 0 226.364 1.352 40 0 BDABRP [NH3+][C@H]1C[C@@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000076646001 384233783 /nfs/dbraw/zinc/23/37/83/384233783.db2.gz HRHOQWHMSDKGIB-UONOGXRCSA-N 2 0 216.328 2.000 40 0 BDABRP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccncc2)CC1 ZINC000238689481 384500146 /nfs/dbraw/zinc/50/01/46/384500146.db2.gz CWZZKRJIYPRLLO-HAQNSBGRSA-N 2 0 205.305 1.441 40 0 BDABRP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH2+]C2CC2)O1 ZINC000242463466 384614108 /nfs/dbraw/zinc/61/41/08/384614108.db2.gz DBVWEWZTTDSHOA-TXEJJXNPSA-N 2 0 210.321 1.038 40 0 BDABRP CC[N@H+](CCC(N)=[NH2+])Cc1ccccc1 ZINC000020486560 384618403 /nfs/dbraw/zinc/61/84/03/384618403.db2.gz GWICGDRSUPASOY-UHFFFAOYSA-N 2 0 205.305 1.835 40 0 BDABRP CC[NH+](CC)C1([C@@H](C[NH3+])CO)CCCCC1 ZINC000072210378 385069117 /nfs/dbraw/zinc/06/91/17/385069117.db2.gz HUMKOKZQWODAKV-LBPRGKRZSA-N 2 0 228.380 1.598 40 0 BDABRP CC(C)[NH+]1CCN(c2ccc([C@H](C)[NH3+])cn2)CC1 ZINC000072225617 385125929 /nfs/dbraw/zinc/12/59/29/385125929.db2.gz PTNMOBFGCYRMOZ-LBPRGKRZSA-N 2 0 248.374 1.632 40 0 BDABRP [NH3+][C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096510435 385249226 /nfs/dbraw/zinc/24/92/26/385249226.db2.gz RAIBDTZTWBNGRW-HUUCEWRRSA-N 2 0 246.354 1.769 40 0 BDABRP [NH3+]CCOc1cccc(C[NH+]2CCCC2)c1 ZINC000041234292 387795947 /nfs/dbraw/zinc/79/59/47/387795947.db2.gz JJMSNJGEQLAOFN-UHFFFAOYSA-N 2 0 220.316 1.620 40 0 BDABRP CCn1ncc(C[N@H+](C)CCCC[NH3+])c1C ZINC000096523770 172255242 /nfs/dbraw/zinc/25/52/42/172255242.db2.gz XUDBXVMTCWPZTQ-UHFFFAOYSA-N 2 0 224.352 1.382 40 0 BDABRP CN(CC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000054416886 172731628 /nfs/dbraw/zinc/73/16/28/172731628.db2.gz ZAXFPBODJOPVGM-UHFFFAOYSA-N 2 0 247.386 1.542 40 0 BDABRP C[NH+]1CCC[C@H]1C[C@H](O)C[C@H]1CCC[N@H+]1C ZINC000257556144 173057972 /nfs/dbraw/zinc/05/79/72/173057972.db2.gz UOJNOOLFFFFKNA-CLLJXQQHSA-N 2 0 226.364 1.316 40 0 BDABRP C[NH2+]CCC[NH2+]Cc1ccc(OC)cc1 ZINC000008377092 173349780 /nfs/dbraw/zinc/34/97/80/173349780.db2.gz AEQPPIGRSVWCEX-UHFFFAOYSA-N 2 0 208.305 1.394 40 0 BDABRP COCCNc1cc(C2CC[NH+](C)CC2)ccn1 ZINC000072386650 174341098 /nfs/dbraw/zinc/34/10/98/174341098.db2.gz CSKHEBCNKSBXPV-UHFFFAOYSA-N 2 0 249.358 1.949 40 0 BDABRP CC(C)N(CC[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000242688008 519646477 /nfs/dbraw/zinc/64/64/77/519646477.db2.gz VCQRHQPOPDTDMB-CHWSQXEVSA-N 2 0 227.396 1.528 40 0 BDABRP [NH3+]C1CCC([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001560405203 991469305 /nfs/dbraw/zinc/46/93/05/991469305.db2.gz MMCUWEUKGKFQST-UHFFFAOYSA-N 2 0 236.383 1.447 40 0 BDABRP CCOC(=O)[C@H](CN)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000072210500 259316784 /nfs/dbraw/zinc/31/67/84/259316784.db2.gz WZCJBBPBXGAPGC-VXGBXAGGSA-N 2 0 242.363 1.245 40 0 BDABRP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523825 343758525 /nfs/dbraw/zinc/75/85/25/343758525.db2.gz DVGORGVDTAVQMX-CQSZACIVSA-N 2 0 241.423 1.633 40 0 BDABRP C[N@@H+](CCc1ccncc1)CC[C@H]1CCC[NH2+]C1 ZINC000051919455 259371968 /nfs/dbraw/zinc/37/19/68/259371968.db2.gz XWJOMHZYWXMGLI-OAHLLOKOSA-N 2 0 247.386 1.946 40 0 BDABRP [NH3+]CC(F)(C[NH3+])C1Cc2ccccc2C1 ZINC000585143264 344176812 /nfs/dbraw/zinc/17/68/12/344176812.db2.gz QWROPYRTTDOXPC-UHFFFAOYSA-N 2 0 208.280 1.027 40 0 BDABRP CCC[C@H]([NH3+])CN1CC[NH+](CCC)CC1 ZINC000036873578 347952052 /nfs/dbraw/zinc/95/20/52/347952052.db2.gz AENFXKDCVHKIFD-LBPRGKRZSA-N 2 0 213.369 1.141 40 0 BDABRP [NH3+][C@@H]1CCN(CC2(c3ccccc3)CC2)C1 ZINC000033426907 350234538 /nfs/dbraw/zinc/23/45/38/350234538.db2.gz XUFNKVWMPLHBHB-CYBMUJFWSA-N 2 0 216.328 1.751 40 0 BDABRP Fc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000072202930 180968550 /nfs/dbraw/zinc/96/85/50/180968550.db2.gz HYXPZNWGOSZZQO-LBPRGKRZSA-N 2 0 222.307 1.915 40 0 BDABRP c1cnc(N2CC[NH2+]CC2)c(C2=[NH+]CCCC2)c1 ZINC000072216353 259528135 /nfs/dbraw/zinc/52/81/35/259528135.db2.gz VSDFUHOHJUERNQ-UHFFFAOYSA-N 2 0 244.342 1.464 40 0 BDABRP [NH3+]CCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000015423992 181371833 /nfs/dbraw/zinc/37/18/33/181371833.db2.gz JPABMEKIUWXQRY-UHFFFAOYSA-N 2 0 234.343 1.953 40 0 BDABRP [NH3+]CCOC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079390674 181399409 /nfs/dbraw/zinc/39/94/09/181399409.db2.gz TVTJYNDURJBHRQ-CQSZACIVSA-N 2 0 234.343 1.484 40 0 BDABRP Cc1[nH+]cc2cc(C3(C)CC[NH2+]CC3)nc(C)n21 ZINC000205690275 368358166 /nfs/dbraw/zinc/35/81/66/368358166.db2.gz JCBICCWQRBLPFF-UHFFFAOYSA-N 2 0 244.342 1.987 40 0 BDABRP CCCCOC(=O)CC[NH2+]CCC[NH+](C)C ZINC000003162496 168883599 /nfs/dbraw/zinc/88/35/99/168883599.db2.gz YCNGWWRLOGKETC-UHFFFAOYSA-N 2 0 230.352 1.261 40 0 BDABRP CCC[NH+]1CCN(C[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000020073790 169203376 /nfs/dbraw/zinc/20/33/76/169203376.db2.gz RBCWTVMIYMMQII-CHWSQXEVSA-N 2 0 227.396 1.387 40 0 BDABRP c1csc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301027 383891599 /nfs/dbraw/zinc/89/15/99/383891599.db2.gz GFLIVYQHZNUSIV-UWVGGRQHSA-N 2 0 208.330 1.399 40 0 BDABRP CCc1ccc(C[NH2+]CCC[NH2+]C)cc1 ZINC000008337972 384199463 /nfs/dbraw/zinc/19/94/63/384199463.db2.gz GPGBSAJDFSKFBJ-UHFFFAOYSA-N 2 0 206.333 1.948 40 0 BDABRP Cc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000082929026 384605168 /nfs/dbraw/zinc/60/51/68/384605168.db2.gz UTTGTIYNDWGBEC-STQMWFEESA-N 2 0 204.317 1.599 40 0 BDABRP Clc1ncc(C[NH2+]CC2CC[NH2+]CC2)s1 ZINC000072203568 385056275 /nfs/dbraw/zinc/05/62/75/385056275.db2.gz RDIFUQVSBQMBNV-UHFFFAOYSA-N 2 0 245.779 1.886 40 0 BDABRP CC[C@](C)([C@@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210359 385068305 /nfs/dbraw/zinc/06/83/05/385068305.db2.gz ILZQINXJZRKOEF-NWDGAFQWSA-N 2 0 214.353 1.208 40 0 BDABRP CCCC[N@H+](C)C[C@H]([NH3+])CCSC ZINC000096523856 385268418 /nfs/dbraw/zinc/26/84/18/385268418.db2.gz XYXCYZPHXHFOHR-SNVBAGLBSA-N 2 0 204.383 1.799 40 0 BDABRP CC(C)C[NH+](CC(C)C)C[C@H](O)C[NH2+]C1CC1 ZINC000042033841 385755456 /nfs/dbraw/zinc/75/54/56/385755456.db2.gz BRGOEBAUFUZEOM-CQSZACIVSA-N 2 0 242.407 1.713 40 0 BDABRP C[N@H+](C[C@H](O)C[NH2+]C1CC1)C1CCCCC1 ZINC000036950401 385825734 /nfs/dbraw/zinc/82/57/34/385825734.db2.gz FHOSPTNVHXYWAO-CYBMUJFWSA-N 2 0 226.364 1.364 40 0 BDABRP C(C[NH+]1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000051919387 387450529 /nfs/dbraw/zinc/45/05/29/387450529.db2.gz CLVAGTFKDIPMEP-NSHDSACASA-N 2 0 214.378 1.425 40 0 BDABRP C[NH+](C)CCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000252516986 388653757 /nfs/dbraw/zinc/65/37/57/388653757.db2.gz YPIRJMMOVGXRPY-CHWSQXEVSA-N 2 0 225.380 1.155 40 0 BDABRP C[C@H](NCC[NH+](C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863008 397976536 /nfs/dbraw/zinc/97/65/36/397976536.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 2 0 239.407 1.401 40 0 BDABRP C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000083046963 173192708 /nfs/dbraw/zinc/19/27/08/173192708.db2.gz WZBGXWRNEQOOCJ-JQWIXIFHSA-N 2 0 224.735 1.944 40 0 BDABRP COc1ccc(C2([NH3+])CC[NH2+]CC2)cc1 ZINC000255190677 175084656 /nfs/dbraw/zinc/08/46/56/175084656.db2.gz YSVILOHFFDBSCW-UHFFFAOYSA-N 2 0 206.289 1.233 40 0 BDABRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000026895810 176306332 /nfs/dbraw/zinc/30/63/32/176306332.db2.gz GLFBPDDMMVIVQJ-YPMHNXCESA-N 2 0 204.317 1.713 40 0 BDABRP C[C@@H]1C[C@H](NCCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102761560 177238701 /nfs/dbraw/zinc/23/87/01/177238701.db2.gz ZFMHJCHHDNGZAM-XQQFMLRXSA-N 2 0 227.396 1.256 40 0 BDABRP Fc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000072202937 487994476 /nfs/dbraw/zinc/99/44/76/487994476.db2.gz ILQCZALDIMHHTM-GFCCVEGCSA-N 2 0 222.307 1.915 40 0 BDABRP C[N@@H+]1CCC[C@@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687719 259326255 /nfs/dbraw/zinc/32/62/55/259326255.db2.gz USIKDRAAQPBJKJ-CQSZACIVSA-N 2 0 229.327 1.501 40 0 BDABRP C(C[NH+]1CCSCC1)C1CC[NH2+]CC1 ZINC000038076083 259327480 /nfs/dbraw/zinc/32/74/80/259327480.db2.gz SZUVTWRHSCFRBT-UHFFFAOYSA-N 2 0 214.378 1.425 40 0 BDABRP CC[NH+](CC)CCN[C@@H]1CCCC[C@@H]1[NH3+] ZINC000218856125 398328885 /nfs/dbraw/zinc/32/88/85/398328885.db2.gz JMXCNWJXZWQWGU-NWDGAFQWSA-N 2 0 213.369 1.188 40 0 BDABRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC(=O)OC ZINC000035748326 343303644 /nfs/dbraw/zinc/30/36/44/343303644.db2.gz PNJXAWZCKGXWGB-NSHDSACASA-N 2 0 230.352 1.260 40 0 BDABRP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(C[NH3+])C2)c1 ZINC000096509109 343755046 /nfs/dbraw/zinc/75/50/46/343755046.db2.gz CNRWJJZHBABOCP-KBPBESRZSA-N 2 0 216.328 1.776 40 0 BDABRP Cc1nc(C2CC[NH2+]CC2)cc2c[nH+]cn21 ZINC000585261097 344373035 /nfs/dbraw/zinc/37/30/35/344373035.db2.gz DWBWTGPEWJEGNM-UHFFFAOYSA-N 2 0 216.288 1.505 40 0 BDABRP COc1ccc(C)cc1C[NH2+]CCC[NH3+] ZINC000037713633 323108073 /nfs/dbraw/zinc/10/80/73/323108073.db2.gz CAKONAMRGDIMOQ-UHFFFAOYSA-N 2 0 208.305 1.442 40 0 BDABRP NC(=[NH2+])SC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000020459214 181192756 /nfs/dbraw/zinc/19/27/56/181192756.db2.gz XWYJFWSEMHIYBX-ZJUUUORDSA-N 2 0 227.377 1.878 40 0 BDABRP [NH3+]C1(Cc2ccc(F)cc2)CC[NH2+]CC1 ZINC000238556091 181331957 /nfs/dbraw/zinc/33/19/57/181331957.db2.gz FPIODHOUCOIJQB-UHFFFAOYSA-N 2 0 208.280 1.449 40 0 BDABRP [NH3+]CCCSCCCSCCC[NH3+] ZINC000068604867 181384920 /nfs/dbraw/zinc/38/49/20/181384920.db2.gz SKSDMPDHPIUATK-UHFFFAOYSA-N 2 0 222.423 1.541 40 0 BDABRP c1csc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088301026 383893400 /nfs/dbraw/zinc/89/34/00/383893400.db2.gz GFLIVYQHZNUSIV-NXEZZACHSA-N 2 0 208.330 1.399 40 0 BDABRP C[N@@H+]1CCCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000034679433 383983431 /nfs/dbraw/zinc/98/34/31/383983431.db2.gz HXTIUFSYBPDPFX-AWEZNQCLSA-N 2 0 233.359 1.324 40 0 BDABRP C[N@H+](CCO)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000079393491 384134055 /nfs/dbraw/zinc/13/40/55/384134055.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 2 0 248.370 1.433 40 0 BDABRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1 ZINC000079414502 384135323 /nfs/dbraw/zinc/13/53/23/384135323.db2.gz VPGCATPJUSKIPV-HNNXBMFYSA-N 2 0 247.386 1.542 40 0 BDABRP CC[N@H+](CCN)C1CCC([NH+](C)C)CC1 ZINC000079406235 384137843 /nfs/dbraw/zinc/13/78/43/384137843.db2.gz IAQUTXYNYZIKAY-UHFFFAOYSA-N 2 0 213.369 1.140 40 0 BDABRP CC[NH+](CC)C1([C@H](C[NH3+])CO)CCCC1 ZINC000072210387 384154792 /nfs/dbraw/zinc/15/47/92/384154792.db2.gz FPVFGPRDIKKQIW-LLVKDONJSA-N 2 0 214.353 1.208 40 0 BDABRP CC(C)[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+] ZINC000079419444 384143446 /nfs/dbraw/zinc/14/34/46/384143446.db2.gz KAQCAABGQLDDHF-RYUDHWBXSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+] ZINC000079419458 384144025 /nfs/dbraw/zinc/14/40/25/384144025.db2.gz SJWCBRSIHPELSO-SRVKXCTJSA-N 2 0 241.379 1.101 40 0 BDABRP CC[N@H+](CCN)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178511 384279678 /nfs/dbraw/zinc/27/96/78/384279678.db2.gz IAQUTXYNYZIKAY-TXEJJXNPSA-N 2 0 213.369 1.140 40 0 BDABRP CC(C)[N@H+](C)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1 ZINC000100177628 384284289 /nfs/dbraw/zinc/28/42/89/384284289.db2.gz NNXHCQLIIHFSJI-SDDRHHMPSA-N 2 0 241.379 1.101 40 0 BDABRP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000100267973 384628701 /nfs/dbraw/zinc/62/87/01/384628701.db2.gz ICZUYTKVOMHSDO-TXEJJXNPSA-N 2 0 205.305 1.441 40 0 BDABRP CCCC[N@H+](C)Cc1c(C[NH3+])cnn1C ZINC000408715518 384702001 /nfs/dbraw/zinc/70/20/01/384702001.db2.gz BKQKXEXGIMCESE-UHFFFAOYSA-N 2 0 210.325 1.111 40 0 BDABRP CC[C@](C)([C@H](C[NH3+])CO)[NH+]1CCCCC1 ZINC000072210361 385068286 /nfs/dbraw/zinc/06/82/86/385068286.db2.gz ILZQINXJZRKOEF-VXGBXAGGSA-N 2 0 214.353 1.208 40 0 BDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223610 385115548 /nfs/dbraw/zinc/11/55/48/385115548.db2.gz VYWCIOIEERXUSL-CYBMUJFWSA-N 2 0 248.374 1.552 40 0 BDABRP [NH3+]C[C@@H]1C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509451 385240568 /nfs/dbraw/zinc/24/05/68/385240568.db2.gz PGUYUNZVZQMLLJ-STQMWFEESA-N 2 0 202.301 1.597 40 0 BDABRP CCn1ccc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000096523640 385266966 /nfs/dbraw/zinc/26/69/66/385266966.db2.gz OBCAGADGTSWOJM-UHFFFAOYSA-N 2 0 222.336 1.074 40 0 BDABRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218870604 386351757 /nfs/dbraw/zinc/35/17/57/386351757.db2.gz PKAFNOZHKZAREC-CHWSQXEVSA-N 2 0 204.317 1.699 40 0 BDABRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218870654 386353256 /nfs/dbraw/zinc/35/32/56/386353256.db2.gz PKAFNOZHKZAREC-QWHCGFSZSA-N 2 0 204.317 1.699 40 0 BDABRP C(CN1CCC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000079387381 388615596 /nfs/dbraw/zinc/61/55/96/388615596.db2.gz LIYFWIJRNCOHQP-UHFFFAOYSA-N 2 0 225.380 1.158 40 0 BDABRP [NH3+]CCCCCC[NH+]1CCSCC1 ZINC000020257462 388760453 /nfs/dbraw/zinc/76/04/53/388760453.db2.gz GROIUTOISQPHGO-UHFFFAOYSA-N 2 0 202.367 1.554 40 0 BDABRP C[NH2+]C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509385 173371934 /nfs/dbraw/zinc/37/19/34/173371934.db2.gz GGQRXWZCRLVXAI-LSDHHAIUSA-N 2 0 230.355 1.900 40 0 BDABRP COCC[N@@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257310119 174313086 /nfs/dbraw/zinc/31/30/86/174313086.db2.gz UDTKXOPPLHVMDV-SNVBAGLBSA-N 2 0 209.293 1.154 40 0 BDABRP COCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000019881157 174330612 /nfs/dbraw/zinc/33/06/12/174330612.db2.gz PQDAXWURZGJJTK-UHFFFAOYSA-N 2 0 200.326 1.095 40 0 BDABRP COc1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000218873334 175092695 /nfs/dbraw/zinc/09/26/95/175092695.db2.gz DBCVSLJONOHOAC-KGLIPLIRSA-N 2 0 234.343 1.707 40 0 BDABRP CSCC[NH2+]CCC[NH2+]CCSC ZINC000068605020 175498514 /nfs/dbraw/zinc/49/85/14/175498514.db2.gz SGUKOFDHHHIPAV-UHFFFAOYSA-N 2 0 222.423 1.282 40 0 BDABRP CC(C)N(CC[NH3+])[C@H]1CCCC[C@H]1[NH+](C)C ZINC000242688010 519646098 /nfs/dbraw/zinc/64/60/98/519646098.db2.gz VCQRHQPOPDTDMB-OLZOCXBDSA-N 2 0 227.396 1.528 40 0 BDABRP CCN(CC[NH3+])[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000242750740 521046522 /nfs/dbraw/zinc/04/65/22/521046522.db2.gz ZYHPYFWBANWSIC-VXGBXAGGSA-N 2 0 213.369 1.140 40 0 BDABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]12 ZINC000253614663 527242074 /nfs/dbraw/zinc/24/20/74/527242074.db2.gz BPTZIVDEXNNJCR-ZSBIGDGJSA-N 2 0 220.291 1.462 40 0 BDABRP c1cnc(N2CC[NH2+]CC2)c([C@H]2CCCC[NH2+]2)c1 ZINC000072216355 259317951 /nfs/dbraw/zinc/31/79/51/259317951.db2.gz IDILNSPOVPHMCZ-CYBMUJFWSA-N 2 0 246.358 1.306 40 0 BDABRP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523824 343758519 /nfs/dbraw/zinc/75/85/19/343758519.db2.gz DVGORGVDTAVQMX-AWEZNQCLSA-N 2 0 241.423 1.633 40 0 BDABRP C(=C\C[n+]1ccccc1)\C[n+]1ccccc1 ZINC000017380370 188461217 /nfs/dbraw/zinc/46/12/17/188461217.db2.gz GWUUPPPSIZYHCM-FPLPWBNLSA-N 2 0 212.296 1.518 40 0 BDABRP Fc1cccc(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000072203326 180996760 /nfs/dbraw/zinc/99/67/60/180996760.db2.gz OQBSFIIUDCVDHY-UHFFFAOYSA-N 2 0 222.307 1.915 40 0 BDABRP CN(C[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000019505606 356720830 /nfs/dbraw/zinc/72/08/30/356720830.db2.gz DJNLEQIRDJCRKS-GFCCVEGCSA-N 2 0 225.380 1.012 40 0 BDABRP NNC(=[NH2+])SC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017610759 363886539 /nfs/dbraw/zinc/88/65/39/363886539.db2.gz DRDOXVYPEAAFMZ-UWVGGRQHSA-N 2 0 242.392 1.382 40 0 BDABRP C[NH+](C)CCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225711947 259541211 /nfs/dbraw/zinc/54/12/11/259541211.db2.gz YPIRJMMOVGXRPY-OLZOCXBDSA-N 2 0 225.380 1.155 40 0 BDABRP CCC[NH+]1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523810 169203891 /nfs/dbraw/zinc/20/38/91/169203891.db2.gz WLQAYNDDFLMKFY-ZDUSSCGKSA-N 2 0 227.396 1.387 40 0 BDABRP CC[C@H]([NH3+])c1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225553 385122839 /nfs/dbraw/zinc/12/28/39/385122839.db2.gz GGUOOVJEERFBPA-ZDUSSCGKSA-N 2 0 248.374 1.633 40 0 BDABRP CCc1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC000050227818 385305764 /nfs/dbraw/zinc/30/57/64/385305764.db2.gz SYRDWDHCZXGSHJ-CYBMUJFWSA-N 2 0 204.317 1.782 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000096523969 385272376 /nfs/dbraw/zinc/27/23/76/385272376.db2.gz PKZJXTQSBPXKCW-KGLIPLIRSA-N 2 0 241.423 1.778 40 0 BDABRP CC(C)[C@@]1([NH3+])CCN(c2cc[nH+]cc2)C1 ZINC000095098153 385486684 /nfs/dbraw/zinc/48/66/84/385486684.db2.gz CPORURNIKHIRQY-GFCCVEGCSA-N 2 0 205.305 1.645 40 0 BDABRP CCC[C@H]([NH3+])CN(C)CCc1ccccn1 ZINC000036873596 385588402 /nfs/dbraw/zinc/58/84/02/385588402.db2.gz SPHSASOJTDPVSL-LBPRGKRZSA-N 2 0 221.348 1.683 40 0 BDABRP CC(C)C[NH+](CC(C)C)C[C@@H](O)C[NH2+]C1CC1 ZINC000042033843 385755194 /nfs/dbraw/zinc/75/51/94/385755194.db2.gz BRGOEBAUFUZEOM-AWEZNQCLSA-N 2 0 242.407 1.713 40 0 BDABRP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306136207 385992269 /nfs/dbraw/zinc/99/22/69/385992269.db2.gz PMQYJEUFNLHXIQ-GFCCVEGCSA-N 2 0 212.337 1.097 40 0 BDABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000247634472 386725944 /nfs/dbraw/zinc/72/59/44/386725944.db2.gz DADZZUVKEHQCEL-CLLJXQQHSA-N 2 0 236.746 1.977 40 0 BDABRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]21 ZINC000247650441 386730051 /nfs/dbraw/zinc/73/00/51/386730051.db2.gz MTVLERFBUUMJEA-ZSOGYDGISA-N 2 0 216.328 1.366 40 0 BDABRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248156225 386746226 /nfs/dbraw/zinc/74/62/26/386746226.db2.gz ZEFJJZJDPDVJSI-VHDGCEQUSA-N 2 0 245.370 1.902 40 0 BDABRP C[N@H+](CCCCC[NH3+])CCc1ccccn1 ZINC000049580634 386797915 /nfs/dbraw/zinc/79/79/15/386797915.db2.gz QTVKPRWMKKDLMC-UHFFFAOYSA-N 2 0 221.348 1.685 40 0 BDABRP C(C[NH+]1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000051919386 387451217 /nfs/dbraw/zinc/45/12/17/387451217.db2.gz CLVAGTFKDIPMEP-LLVKDONJSA-N 2 0 214.378 1.425 40 0 BDABRP [NH3+]C[C@@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000110748792 388649997 /nfs/dbraw/zinc/64/99/97/388649997.db2.gz BNOXARHBBQKXRU-UONOGXRCSA-N 2 0 216.328 1.640 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@@H]2CCC[C@@H]21 ZINC000225715840 388841202 /nfs/dbraw/zinc/84/12/02/388841202.db2.gz PDUDSHLNNBVZFM-OLZOCXBDSA-N 2 0 225.380 1.155 40 0 BDABRP COc1cc(C[NH3+])cc(C[NH+](C)C)c1OC ZINC000225723354 388842914 /nfs/dbraw/zinc/84/29/14/388842914.db2.gz ZIUSSWCGKHLHGT-UHFFFAOYSA-N 2 0 224.304 1.224 40 0 BDABRP CC[NH+](CC)[C@@](C)(CC)[C@H](C[NH3+])CO ZINC000072210356 322906097 /nfs/dbraw/zinc/90/60/97/322906097.db2.gz MLFOMDOARNOWFZ-MNOVXSKESA-N 2 0 202.342 1.064 40 0 BDABRP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000096227981 173003333 /nfs/dbraw/zinc/00/33/33/173003333.db2.gz BDYZAKFUVSPTOY-UHFFFAOYSA-N 2 0 248.374 1.480 40 0 BDABRP COc1cc2c(cc1OC)[C@@H](CC[NH3+])[NH2+]CC2 ZINC000031947588 175025566 /nfs/dbraw/zinc/02/55/66/175025566.db2.gz YJXPOXONGWGWNK-LLVKDONJSA-N 2 0 236.315 1.239 40 0 BDABRP COc1cc[nH+]c(NC2CC[NH2+]CC2)c1 ZINC000034566170 175364611 /nfs/dbraw/zinc/36/46/11/175364611.db2.gz MJCCEHUAWQWHGP-UHFFFAOYSA-N 2 0 207.277 1.254 40 0 BDABRP Cc1cc(F)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC000067802654 178085955 /nfs/dbraw/zinc/08/59/55/178085955.db2.gz VZIXMRMBPAMISN-UHFFFAOYSA-N 2 0 222.307 1.976 40 0 BDABRP Cc1cc(N(C)C)cc([C@@H]2CC[NH2+]C2)[nH+]1 ZINC000072344148 178095598 /nfs/dbraw/zinc/09/55/98/178095598.db2.gz YZRTWIHHRFIRLC-SNVBAGLBSA-N 2 0 205.305 1.533 40 0 BDABRP [NH3+]C[C@@H](CO)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210329 259316620 /nfs/dbraw/zinc/31/66/20/259316620.db2.gz KGTXLTAWHMNUME-LSDHHAIUSA-N 2 0 248.370 1.781 40 0 BDABRP Cc1nn(C)cc1C[N@H+](C)CCCCC[NH3+] ZINC000096523839 180373025 /nfs/dbraw/zinc/37/30/25/180373025.db2.gz WJCMGQXEMQWWDR-UHFFFAOYSA-N 2 0 224.352 1.289 40 0 BDABRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(N)=[NH2+] ZINC000114746301 355972489 /nfs/dbraw/zinc/97/24/89/355972489.db2.gz VTJULCNKQLRXFZ-ZYHUDNBSSA-N 2 0 217.316 1.690 40 0 BDABRP [NH3+]CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000015423995 181371844 /nfs/dbraw/zinc/37/18/44/181371844.db2.gz SPYGTNSEIWBSOT-UHFFFAOYSA-N 2 0 219.332 1.642 40 0 BDABRP COc1cccc([C@@H]2CN(C)C[C@H]2[NH3+])c1 ZINC000074184982 369867369 /nfs/dbraw/zinc/86/73/69/369867369.db2.gz CVUZDGAQAXALIR-NWDGAFQWSA-N 2 0 206.289 1.052 40 0 BDABRP CCC[C@@H]([NH3+])CN(C)CCc1c(C)noc1C ZINC000096523976 169393177 /nfs/dbraw/zinc/39/31/77/169393177.db2.gz UFFPDDBJNKNAMW-GFCCVEGCSA-N 2 0 239.363 1.893 40 0 BDABRP OCC[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034264454 383866313 /nfs/dbraw/zinc/86/63/13/383866313.db2.gz OLMHHSBJCGAUHX-AWEZNQCLSA-N 2 0 234.343 1.090 40 0 BDABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](CCN)C2CC2)CC1 ZINC000100178502 384281337 /nfs/dbraw/zinc/28/13/37/384281337.db2.gz NLGHULVJSHLZHJ-TXEJJXNPSA-N 2 0 225.380 1.282 40 0 BDABRP Clc1cnccc1NC1CC[NH2+]CC1 ZINC000086839707 385052913 /nfs/dbraw/zinc/05/29/13/385052913.db2.gz UGQLKXKZOZFUAR-UHFFFAOYSA-N 2 0 211.696 1.899 40 0 BDABRP Cc1cc(N2CC[NH+](C)CC2)ncc1[C@@H](C)[NH3+] ZINC000072223607 385116039 /nfs/dbraw/zinc/11/60/39/385116039.db2.gz BDVJQTINQLSCCO-LLVKDONJSA-N 2 0 234.347 1.162 40 0 BDABRP [NH3+]C[C@H]1C[C@@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509450 385241496 /nfs/dbraw/zinc/24/14/96/385241496.db2.gz PGUYUNZVZQMLLJ-CHWSQXEVSA-N 2 0 202.301 1.597 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000096523678 385267932 /nfs/dbraw/zinc/26/79/32/385267932.db2.gz ZKUDRLQQFCYOOF-CQSZACIVSA-N 2 0 239.407 1.404 40 0 BDABRP CCCC[NH+]1CCN(C[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000096523970 385272589 /nfs/dbraw/zinc/27/25/89/385272589.db2.gz PKZJXTQSBPXKCW-ZIAGYGMSSA-N 2 0 241.423 1.778 40 0 BDABRP CCCC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531566 385282590 /nfs/dbraw/zinc/28/25/90/385282590.db2.gz VNESTBPAKXKYRF-UHFFFAOYSA-N 2 0 212.337 1.241 40 0 BDABRP [NH3+]Cc1ccc(Cc2ccc(C[NH3+])o2)o1 ZINC000039411646 385749701 /nfs/dbraw/zinc/74/97/01/385749701.db2.gz RXCAXCFDZGHHIN-UHFFFAOYSA-N 2 0 206.245 1.381 40 0 BDABRP CC(C)(C)[NH2+][C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000306136803 385993072 /nfs/dbraw/zinc/99/30/72/385993072.db2.gz QDVHBFBEYBZHFS-JTQLQIEISA-N 2 0 212.337 1.286 40 0 BDABRP CC1CCC(O)(CN2CCC[C@@H]([NH3+])C2)CC1 ZINC000096511431 168167074 /nfs/dbraw/zinc/16/70/74/168167074.db2.gz VSIGLIFPYRJLME-OTTFEQOBSA-N 2 0 226.364 1.351 40 0 BDABRP CSCC[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000096523846 175508167 /nfs/dbraw/zinc/50/81/67/175508167.db2.gz HEOZVWQJBXPTOB-NSHDSACASA-N 2 0 245.436 1.093 40 0 BDABRP C[C@@H]1C[C@@H](NCCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000102761558 177239541 /nfs/dbraw/zinc/23/95/41/177239541.db2.gz ZFMHJCHHDNGZAM-YNEHKIRRSA-N 2 0 227.396 1.256 40 0 BDABRP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(F)cc1 ZINC000017126763 534962720 /nfs/dbraw/zinc/96/27/20/534962720.db2.gz IFLSKJWEERCMHE-UHFFFAOYSA-N 2 0 235.266 1.011 40 0 BDABRP CC(C)[NH+](CCN1CCC[NH2+]CC1)C(C)C ZINC000072209740 259315837 /nfs/dbraw/zinc/31/58/37/259315837.db2.gz RXBCQQZIPYIIDX-UHFFFAOYSA-N 2 0 227.396 1.401 40 0 BDABRP CCN(CC[NH+](CC)CC)CC[NH+](CC)CC ZINC000019366877 342947394 /nfs/dbraw/zinc/94/73/94/342947394.db2.gz LIGIARLVFBHRJF-UHFFFAOYSA-N 2 0 243.439 1.992 40 0 BDABRP CC[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515796 343757494 /nfs/dbraw/zinc/75/74/94/343757494.db2.gz KKBBBUBRGOOPKF-ONGXEEELSA-N 2 0 234.347 1.903 40 0 BDABRP CC[C@@H](C)[C@H]([NH3+])CN(C)CCc1ccccn1 ZINC000020074330 371226633 /nfs/dbraw/zinc/22/66/33/371226633.db2.gz SDYMBIVUPANRCP-TZMCWYRMSA-N 2 0 235.375 1.929 40 0 BDABRP CC[N@H+](CCO)C1CCC([NH+](C)C)CC1 ZINC000079405986 384135635 /nfs/dbraw/zinc/13/56/35/384135635.db2.gz GEUFAFATOXRLKY-UHFFFAOYSA-N 2 0 214.353 1.173 40 0 BDABRP C[N@@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1 ZINC000079414484 384136979 /nfs/dbraw/zinc/13/69/79/384136979.db2.gz REOHBHQDJUTFKI-OAHLLOKOSA-N 2 0 247.386 1.399 40 0 BDABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000100387879 384638334 /nfs/dbraw/zinc/63/83/34/384638334.db2.gz UNLBCCJUBAVNHR-CLLJXQQHSA-N 2 0 202.301 1.323 40 0 BDABRP C[C@H]1CCC[N@H+](Cc2c(C[NH3+])cnn2C)C1 ZINC000408717218 384703488 /nfs/dbraw/zinc/70/34/88/384703488.db2.gz XAMLGUKIBATUAJ-JTQLQIEISA-N 2 0 222.336 1.111 40 0 BDABRP [NH3+]C[C@@H](CO)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210324 385067347 /nfs/dbraw/zinc/06/73/47/385067347.db2.gz GIZJALXYCUENPH-KBPBESRZSA-N 2 0 234.343 1.391 40 0 BDABRP [NH3+]C[C@H](CO)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000072210330 385067580 /nfs/dbraw/zinc/06/75/80/385067580.db2.gz KGTXLTAWHMNUME-CABCVRRESA-N 2 0 248.370 1.781 40 0 BDABRP Cc1nc(N2CC[NH+](C)CC2)ccc1[C@H](C)[NH3+] ZINC000072224653 385118758 /nfs/dbraw/zinc/11/87/58/385118758.db2.gz RBXHIDKSPWAVQX-JTQLQIEISA-N 2 0 234.347 1.162 40 0 BDABRP CCc1ccc(CN2CC[C@H]([NH3+])C2)cc1 ZINC000050227817 385306175 /nfs/dbraw/zinc/30/61/75/385306175.db2.gz SYRDWDHCZXGSHJ-ZDUSSCGKSA-N 2 0 204.317 1.782 40 0 BDABRP Cc1noc(C)c1CC[N@H+](C)CCCC[NH3+] ZINC000096523765 385266688 /nfs/dbraw/zinc/26/66/88/385266688.db2.gz JAFSRBFBTDLCTB-UHFFFAOYSA-N 2 0 225.336 1.505 40 0 BDABRP [NH3+]C[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000096523588 385268099 /nfs/dbraw/zinc/26/80/99/385268099.db2.gz ZRKQOUYVTVFHSG-CQSZACIVSA-N 2 0 239.407 1.676 40 0 BDABRP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306136208 385991499 /nfs/dbraw/zinc/99/14/99/385991499.db2.gz PMQYJEUFNLHXIQ-LBPRGKRZSA-N 2 0 212.337 1.097 40 0 BDABRP CCN(Cc1ccncc1)C[C@H]([NH3+])C(C)C ZINC000042516897 387272743 /nfs/dbraw/zinc/27/27/43/387272743.db2.gz ZBHJGBGPACUAAC-ZDUSSCGKSA-N 2 0 221.348 1.887 40 0 BDABRP c1cc2cc(N3CC[NH2+]CC3)ccc2c[nH+]1 ZINC000026895988 387801983 /nfs/dbraw/zinc/80/19/83/387801983.db2.gz YRAWOBIYPTYSJG-UHFFFAOYSA-N 2 0 213.284 1.644 40 0 in-vitro BDABRP CC(C)[N@H+](C)Cc1cnc2n1CCN[C@H]2C ZINC000107491733 388616799 /nfs/dbraw/zinc/61/67/99/388616799.db2.gz MGTIVKYUTVTQBE-JTQLQIEISA-N 2 0 222.336 1.388 40 0 BDABRP C[NH+](C)CCCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225711971 388841421 /nfs/dbraw/zinc/84/14/21/388841421.db2.gz YPIRJMMOVGXRPY-STQMWFEESA-N 2 0 225.380 1.155 40 0 BDABRP CCOCCC[NH2+][C@H]1CCCC[C@H]1[NH3+] ZINC000218856035 170383181 /nfs/dbraw/zinc/38/31/81/170383181.db2.gz MCYAFTKGZSEWLU-MNOVXSKESA-N 2 0 200.326 1.273 40 0 BDABRP CCn1cc(C[N@H+](C)CCCCC[NH3+])c(C)n1 ZINC000096523841 172159940 /nfs/dbraw/zinc/15/99/40/172159940.db2.gz BWDLFIQUAIXNFS-UHFFFAOYSA-N 2 0 238.379 1.772 40 0 BDABRP CCn1nc(C)c(C[N@H+](C)CCCC[NH3+])c1C ZINC000096523777 172245144 /nfs/dbraw/zinc/24/51/44/172245144.db2.gz GAZJVEBRWFJYJB-UHFFFAOYSA-N 2 0 238.379 1.691 40 0 BDABRP CN1CCC[N@H+](CC2CCC(C[NH3+])CC2)CC1 ZINC000093426163 173015108 /nfs/dbraw/zinc/01/51/08/173015108.db2.gz BPPMPUXZZJJBQE-UHFFFAOYSA-N 2 0 239.407 1.389 40 0 BDABRP C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(Cl)cc2)C1 ZINC000083046965 173183435 /nfs/dbraw/zinc/18/34/35/173183435.db2.gz WZBGXWRNEQOOCJ-PWSUYJOCSA-N 2 0 224.735 1.944 40 0 BDABRP C[NH2+]C[C@H]1C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509364 173382643 /nfs/dbraw/zinc/38/26/43/173382643.db2.gz CHBIEADHJMWUNG-KGLIPLIRSA-N 2 0 216.328 1.858 40 0 BDABRP CSCC[C@@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000096523845 175503386 /nfs/dbraw/zinc/50/33/86/175503386.db2.gz HEOZVWQJBXPTOB-LLVKDONJSA-N 2 0 245.436 1.093 40 0 BDABRP [NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3F)C[C@H]21 ZINC000253614662 527220909 /nfs/dbraw/zinc/22/09/09/527220909.db2.gz BPTZIVDEXNNJCR-CNDDSTCGSA-N 2 0 220.291 1.462 40 0 BDABRP Cc1cc(N(C)C)cc([C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000072386358 178095220 /nfs/dbraw/zinc/09/52/20/178095220.db2.gz ZGYUSKAEGQDCLW-NSHDSACASA-N 2 0 219.332 1.875 40 0 BDABRP CCOC(=O)[C@@H](CN)[C@H](C(C)C)[NH+]1CCCC1 ZINC000072210501 259316904 /nfs/dbraw/zinc/31/69/04/259316904.db2.gz WZCJBBPBXGAPGC-RYUDHWBXSA-N 2 0 242.363 1.245 40 0 BDABRP [NH3+][C@@H]1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000039343802 343388963 /nfs/dbraw/zinc/38/89/63/343388963.db2.gz HNIYDVDUPHDDRF-DGCLKSJQSA-N 2 0 202.301 1.707 40 0 BDABRP CC[C@H](C)[C@@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083667 259373918 /nfs/dbraw/zinc/37/39/18/259373918.db2.gz VAHUKHUVWIYUCA-KBPBESRZSA-N 2 0 241.423 1.633 40 0 BDABRP C[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000225528412 345246501 /nfs/dbraw/zinc/24/65/01/345246501.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 2 0 226.364 1.173 40 0 BDABRP [NH3+][C@]1(c2ccccc2)CN2CCC1CC2 ZINC000019369085 363146911 /nfs/dbraw/zinc/14/69/11/363146911.db2.gz DJIGNFKTOGQDFW-ZDUSSCGKSA-N 2 0 202.301 1.566 40 0 BDABRP C[NH+]1CCN(c2ccc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216505 259528153 /nfs/dbraw/zinc/52/81/53/259528153.db2.gz YEKUARFFSBBRJE-CYBMUJFWSA-N 2 0 246.358 1.258 40 0 BDABRP [NH3+]CC1CC[NH+](Cc2[nH]nc3c2CCCC3)CC1 ZINC000096523626 181365665 /nfs/dbraw/zinc/36/56/65/181365665.db2.gz SOMHYEDWTJFGKU-UHFFFAOYSA-N 2 0 248.374 1.459 40 0 BDABRP C[C@H]([NH3+])CN1CCC(C[NH+]2CCCC2)CC1 ZINC000062036375 384134196 /nfs/dbraw/zinc/13/41/96/384134196.db2.gz UTIBOHILZIMKDJ-LBPRGKRZSA-N 2 0 225.380 1.141 40 0 BDABRP CC(C)N(CC[NH3+])C[C@@H]1CCCC[N@@H+]1C ZINC000079406290 384134858 /nfs/dbraw/zinc/13/48/58/384134858.db2.gz XIFUVZHNNRYTEM-LBPRGKRZSA-N 2 0 213.369 1.140 40 0 BDABRP CC(C)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000036190236 384182217 /nfs/dbraw/zinc/18/22/17/384182217.db2.gz ZVZZARITUHLCNK-UHFFFAOYSA-N 2 0 227.396 1.532 40 0 BDABRP CN1CC[NH+](CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000043591700 384195861 /nfs/dbraw/zinc/19/58/61/384195861.db2.gz IOOZHVUUMQVJIO-ZDUSSCGKSA-N 2 0 225.380 1.014 40 0 BDABRP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096251692 384447391 /nfs/dbraw/zinc/44/73/91/384447391.db2.gz LARBTBMLXIIAFQ-AVGNSLFASA-N 2 0 202.301 1.606 40 0 BDABRP CC[C@H]([NH3+])c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224654 385119706 /nfs/dbraw/zinc/11/97/06/385119706.db2.gz SHXCTAYAUDJBCR-ZDUSSCGKSA-N 2 0 248.374 1.552 40 0 BDABRP [NH3+]C[C@H]1C[C@H]1C[NH+]1Cc2ccccc2C1 ZINC000096509449 385240949 /nfs/dbraw/zinc/24/09/49/385240949.db2.gz PGUYUNZVZQMLLJ-OLZOCXBDSA-N 2 0 202.301 1.597 40 0 BDABRP [NH3+]C[C@H]1C[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509401 385241455 /nfs/dbraw/zinc/24/14/55/385241455.db2.gz BNOXARHBBQKXRU-KGLIPLIRSA-N 2 0 216.328 1.640 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]([NH3+])C(C)C)CC1 ZINC000096523755 385267258 /nfs/dbraw/zinc/26/72/58/385267258.db2.gz LZOXQKYHVVESEX-ZDUSSCGKSA-N 2 0 227.396 1.387 40 0 BDABRP CN(C)CC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC000096523778 385269627 /nfs/dbraw/zinc/26/96/27/385269627.db2.gz FJMPFQLLRSXHSS-UHFFFAOYSA-N 2 0 249.402 1.789 40 0 BDABRP [NH3+]CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040693625 386233393 /nfs/dbraw/zinc/23/33/93/386233393.db2.gz QXDIVQWSHJJBRD-UHFFFAOYSA-N 3 0 239.407 1.676 40 0 BDABRP [NH3+]C[C@H]1[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000247650439 386730563 /nfs/dbraw/zinc/73/05/63/386730563.db2.gz MTVLERFBUUMJEA-BTTYYORXSA-N 2 0 216.328 1.366 40 0 BDABRP Cc1cc[nH+]c(NCC2CC[NH2+]CC2)c1 ZINC000040434823 388415310 /nfs/dbraw/zinc/41/53/10/388415310.db2.gz LHRLOFWDSGSINX-UHFFFAOYSA-N 2 0 205.305 1.802 40 0 BDABRP CC[NH+](CC)CCCN1CCC[NH2+]CC1 ZINC000079387380 388615458 /nfs/dbraw/zinc/61/54/58/388615458.db2.gz MBSRQZOEVHOQHO-UHFFFAOYSA-N 2 0 213.369 1.014 40 0 BDABRP CCOCCC[NH2+][C@@H]1CCCC[C@@H]1[NH3+] ZINC000218855828 170382127 /nfs/dbraw/zinc/38/21/27/170382127.db2.gz MCYAFTKGZSEWLU-WDEREUQCSA-N 2 0 200.326 1.273 40 0 BDABRP C[NH2+]C[C@H]1C[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000096509386 173382434 /nfs/dbraw/zinc/38/24/34/173382434.db2.gz GGQRXWZCRLVXAI-HUUCEWRRSA-N 2 0 230.355 1.900 40 0 BDABRP COc1ccc([C@@H](CC[NH3+])[NH+](C)C)cc1 ZINC000011762387 175178731 /nfs/dbraw/zinc/17/87/31/175178731.db2.gz ZWFLWOYYYOIBHR-GFCCVEGCSA-N 2 0 208.305 1.647 40 0 BDABRP COc1cccc(CC2([NH3+])CC[NH2+]CC2)c1 ZINC000090554806 175250556 /nfs/dbraw/zinc/25/05/56/175250556.db2.gz DKLSEOGFHYRJBA-UHFFFAOYSA-N 2 0 220.316 1.319 40 0 BDABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](CCN)C2CC2)CC1 ZINC000242574943 522103967 /nfs/dbraw/zinc/10/39/67/522103967.db2.gz NLGHULVJSHLZHJ-HAQNSBGRSA-N 2 0 225.380 1.282 40 0 BDABRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000218874588 398243722 /nfs/dbraw/zinc/24/37/22/398243722.db2.gz WJGVXTQYDKCYTE-GHMZBOCLSA-N 2 0 210.346 1.760 40 0 BDABRP [NH3+]C[C@H](CO)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210327 259316636 /nfs/dbraw/zinc/31/66/36/259316636.db2.gz GIZJALXYCUENPH-ZIAGYGMSSA-N 2 0 234.343 1.391 40 0 BDABRP Cc1ccc[n+](CCC[n+]2cccc(C)c2)c1 ZINC000004783062 342752242 /nfs/dbraw/zinc/75/22/42/342752242.db2.gz JPHZCUKCXRJSKM-UHFFFAOYSA-N 2 0 228.339 1.969 40 0 BDABRP c1cc[n+]2c(c1)-c1cccc[n+]1C/C=C/C2 ZINC000034721229 343277852 /nfs/dbraw/zinc/27/78/52/343277852.db2.gz NMBZGYUDPXTYAT-AATRIKPKSA-N 2 0 210.280 1.498 40 0 BDABRP CC(C)C[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC000096531587 343761443 /nfs/dbraw/zinc/76/14/43/343761443.db2.gz PNXDCYNSECDPBD-UHFFFAOYSA-N 2 0 212.337 1.097 40 0 BDABRP C[N@@H+](CCc1ccccn1)CC[C@@H]1CCC[NH2+]C1 ZINC000051919409 259371817 /nfs/dbraw/zinc/37/18/17/259371817.db2.gz FPCCKTKTBHBPDX-AWEZNQCLSA-N 2 0 247.386 1.946 40 0 BDABRP C[C@H](c1ccccn1)N1CCCC[C@H]1C[NH3+] ZINC000101620431 368340165 /nfs/dbraw/zinc/34/01/65/368340165.db2.gz HRJLOOKXADOPPF-NEPJUHHUSA-N 2 0 219.332 1.956 40 0 BDABRP CCN(C(=O)[C@H](C)[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079407259 384135777 /nfs/dbraw/zinc/13/57/77/384135777.db2.gz KEBPBVLTDLEJFZ-SRVKXCTJSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)[N@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178176 384282595 /nfs/dbraw/zinc/28/25/95/384282595.db2.gz DBMZECQYIOLMJZ-BETUJISGSA-N 2 0 228.380 1.562 40 0 BDABRP Cc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)s1 ZINC000096054688 384428358 /nfs/dbraw/zinc/42/83/58/384428358.db2.gz ORINDZCBBJXHQO-ONGXEEELSA-N 2 0 208.330 1.590 40 0 BDABRP CC[C@H]([NH3+])c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222567 385110428 /nfs/dbraw/zinc/11/04/28/385110428.db2.gz BFDASPOXHDFWAW-ZDUSSCGKSA-N 2 0 248.374 1.552 40 0 BDABRP C[C@H]([NH3+])CN(CC[NH+](C)C)Cc1ccccc1 ZINC000096523924 385271738 /nfs/dbraw/zinc/27/17/38/385271738.db2.gz KFHPBHBZPAETEQ-ZDUSSCGKSA-N 2 0 235.375 1.397 40 0 BDABRP C1CC1[N@@H+]1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000397001566 385329879 /nfs/dbraw/zinc/32/98/79/385329879.db2.gz OCLMUYGZSNWUOP-QYJAPNMZSA-N 2 0 222.332 1.134 40 0 BDABRP COc1ccc([C@H](CC[NH3+])[NH+](C)C)cc1 ZINC000011762394 388708836 /nfs/dbraw/zinc/70/88/36/388708836.db2.gz ZWFLWOYYYOIBHR-LBPRGKRZSA-N 2 0 208.305 1.647 40 0 BDABRP [NH3+]C[C@@H](CO)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210382 322905994 /nfs/dbraw/zinc/90/59/94/322905994.db2.gz NLYYVFLHYCIAEN-ZDUSSCGKSA-N 2 0 240.391 1.742 40 0 BDABRP COCC[N@@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257310118 174316506 /nfs/dbraw/zinc/31/65/06/174316506.db2.gz UDTKXOPPLHVMDV-JTQLQIEISA-N 2 0 209.293 1.154 40 0 BDABRP COc1ccc([C@@H]2C[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000083017747 175183561 /nfs/dbraw/zinc/18/35/61/175183561.db2.gz HKMUZIJDOFHNOP-YPMHNXCESA-N 2 0 220.316 1.299 40 0 BDABRP COc1ccc2[nH+]c(C)cc(NCC[NH3+])c2c1 ZINC000222690005 175227642 /nfs/dbraw/zinc/22/76/42/175227642.db2.gz MNBSBIAEGQDHID-UHFFFAOYSA-N 2 0 231.299 1.922 40 0 BDABRP COc1ccccc1CC1([NH3+])CC[NH2+]CC1 ZINC000098213835 175321519 /nfs/dbraw/zinc/32/15/19/175321519.db2.gz SDCLKFZJSKIHJV-UHFFFAOYSA-N 2 0 220.316 1.319 40 0 BDABRP COc1ccccc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000011888376 175327508 /nfs/dbraw/zinc/32/75/08/175327508.db2.gz NDMLOMNKVNVUMR-GFCCVEGCSA-N 2 0 234.343 1.866 40 0 BDABRP [NH3+]Cc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000022168727 487970880 /nfs/dbraw/zinc/97/08/80/487970880.db2.gz FZBAJTZKEDTSPJ-UHFFFAOYSA-N 2 0 220.316 1.102 40 0 BDABRP Fc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000072202938 487995103 /nfs/dbraw/zinc/99/51/03/487995103.db2.gz ILQCZALDIMHHTM-LBPRGKRZSA-N 2 0 222.307 1.915 40 0 BDABRP C[NH+](C)[C@H]1CC[C@H]([N@H+](CCO)C2CC2)CC1 ZINC000242649216 522105626 /nfs/dbraw/zinc/10/56/26/522105626.db2.gz RWMPQWMWNWVMTC-HAQNSBGRSA-N 2 0 226.364 1.316 40 0 BDABRP CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000242495888 259326010 /nfs/dbraw/zinc/32/60/10/259326010.db2.gz GROOQHFRWPFWFN-UONOGXRCSA-N 2 0 218.344 1.898 40 0 BDABRP [NH3+][C@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000110751565 398300812 /nfs/dbraw/zinc/30/08/12/398300812.db2.gz RAIBDTZTWBNGRW-LSDHHAIUSA-N 2 0 246.354 1.769 40 0 BDABRP Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729463 370746302 /nfs/dbraw/zinc/74/63/02/370746302.db2.gz BRUKSTGIAUDJQX-UHFFFAOYSA-N 2 0 204.317 1.918 40 0 BDABRP C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020701 369372240 /nfs/dbraw/zinc/37/22/40/369372240.db2.gz SRGZXIQVTVCGOL-GVXVVHGQSA-N 2 0 226.364 1.077 40 0 BDABRP CCC[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019257295 169203560 /nfs/dbraw/zinc/20/35/60/169203560.db2.gz OASXFGBPKVGFJK-OAHLLOKOSA-N 2 0 247.386 1.714 40 0 BDABRP c1csc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301023 383891228 /nfs/dbraw/zinc/89/12/28/383891228.db2.gz GFLIVYQHZNUSIV-AOOOYVTPSA-N 2 0 208.330 1.399 40 0 BDABRP [NH3+]CCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000079390679 384133806 /nfs/dbraw/zinc/13/38/06/384133806.db2.gz YTMWBCFXXPYBMI-UHFFFAOYSA-N 2 0 234.343 1.626 40 0 BDABRP CC(C)N(CC[NH3+])[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406321 384135528 /nfs/dbraw/zinc/13/55/28/384135528.db2.gz VCQRHQPOPDTDMB-STQMWFEESA-N 2 0 227.396 1.528 40 0 BDABRP CC(C)N(C[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](C)[NH3+] ZINC000079407313 384135907 /nfs/dbraw/zinc/13/59/07/384135907.db2.gz MNSZNYKZAOELMJ-RYUDHWBXSA-N 2 0 241.379 1.055 40 0 BDABRP C[NH+](C)CCCOc1ccccc1C[NH3+] ZINC000011884329 384301526 /nfs/dbraw/zinc/30/15/26/384301526.db2.gz CWYPVGNYPWEJLK-UHFFFAOYSA-N 2 0 208.305 1.476 40 0 BDABRP COC[C@@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2 ZINC000096220369 384442261 /nfs/dbraw/zinc/44/22/61/384442261.db2.gz JJJFSFGQFRGEPL-ZDUSSCGKSA-N 2 0 238.375 1.487 40 0 BDABRP C[C@@H]1CCC[N@H+](Cc2c(C[NH3+])cnn2C)C1 ZINC000408717219 384705138 /nfs/dbraw/zinc/70/51/38/384705138.db2.gz XAMLGUKIBATUAJ-SNVBAGLBSA-N 2 0 222.336 1.111 40 0 BDABRP CC[NH+](CC)C1([C@@H](C[NH3+])CO)CCCC1 ZINC000072210386 385068360 /nfs/dbraw/zinc/06/83/60/385068360.db2.gz FPVFGPRDIKKQIW-NSHDSACASA-N 2 0 214.353 1.208 40 0 BDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222568 385110918 /nfs/dbraw/zinc/11/09/18/385110918.db2.gz BFDASPOXHDFWAW-CYBMUJFWSA-N 2 0 248.374 1.552 40 0 BDABRP CC[C@@H]([NH3+])c1cnc(N2CC[NH2+]CC2)cc1C ZINC000072223584 385116357 /nfs/dbraw/zinc/11/63/57/385116357.db2.gz POEYSSLIKSJDJL-GFCCVEGCSA-N 2 0 234.347 1.209 40 0 BDABRP CC[NH+](CC)CCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218830579 386055901 /nfs/dbraw/zinc/05/59/01/386055901.db2.gz KWKSPPXNVDHOGF-ZIAGYGMSSA-N 2 0 239.407 1.545 40 0 BDABRP COc1c(Br)cc(C[NH3+])cc1C[NH3+] ZINC000225722766 388842948 /nfs/dbraw/zinc/84/29/48/388842948.db2.gz VEYAPRKIAHVFBG-UHFFFAOYSA-N 2 0 245.120 1.375 40 0 BDABRP CC[C@]1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(C)cc1 ZINC000003074581 132315509 /nfs/dbraw/zinc/31/55/09/132315509.db2.gz HSZXJTXNPGKAHV-CYBMUJFWSA-N 2 0 245.330 1.571 40 0 BDABRP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000068136417 132390222 /nfs/dbraw/zinc/39/02/22/132390222.db2.gz GEMFYTVPPBCQIR-UHFFFAOYSA-N 2 0 231.274 1.784 40 0 BDABRP [NH3+]C[C@@H](CO)C1([NH+]2CCCCC2)CCCC1 ZINC000072210388 322905990 /nfs/dbraw/zinc/90/59/90/322905990.db2.gz LFHVZPSMNZIOHO-LBPRGKRZSA-N 2 0 226.364 1.352 40 0 BDABRP CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000218873731 167224287 /nfs/dbraw/zinc/22/42/87/167224287.db2.gz ARDDYTTVTDFFBK-WDEREUQCSA-N 2 0 200.326 1.271 40 0 BDABRP COCCNc1ccc(C[C@@H]2CCC[NH2+]C2)cn1 ZINC000072386643 174340834 /nfs/dbraw/zinc/34/08/34/174340834.db2.gz HOPGJQRVJIPUPS-LBPRGKRZSA-N 2 0 249.358 1.682 40 0 BDABRP [NH3+]C[C@H](CO)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000072210326 259316658 /nfs/dbraw/zinc/31/66/58/259316658.db2.gz GIZJALXYCUENPH-KGLIPLIRSA-N 2 0 234.343 1.391 40 0 BDABRP C1C[NH2+]CCSCCCSCC[NH2+]C1 ZINC000005641174 342767323 /nfs/dbraw/zinc/76/73/23/342767323.db2.gz AOLQEQNGWBXONC-UHFFFAOYSA-N 2 0 234.434 1.426 40 0 BDABRP C[N@@H+]1CCC[C@]2(C[NH+]=C(c3ccccc3)N2)C1 ZINC000242687718 259326019 /nfs/dbraw/zinc/32/60/19/259326019.db2.gz USIKDRAAQPBJKJ-AWEZNQCLSA-N 2 0 229.327 1.501 40 0 BDABRP CC[C@@H](C)[C@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055083657 259327877 /nfs/dbraw/zinc/32/78/77/259327877.db2.gz VAHUKHUVWIYUCA-ZIAGYGMSSA-N 2 0 241.423 1.633 40 0 BDABRP CC[N@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH3+])C1 ZINC000079414551 343400737 /nfs/dbraw/zinc/40/07/37/343400737.db2.gz MIOJMQKGNXNBQY-OAHLLOKOSA-N 2 0 247.386 1.542 40 0 BDABRP COC[C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000396018106 343810846 /nfs/dbraw/zinc/81/08/46/343810846.db2.gz QXLKBMCYPBXAPU-LBPRGKRZSA-N 2 0 212.337 1.239 40 0 BDABRP CC(C)[NH+]1CCN(C[C@@H]2CCCC[NH2+]2)CC1 ZINC000036190204 343969875 /nfs/dbraw/zinc/96/98/75/343969875.db2.gz QFMABRIWXQTFSB-ZDUSSCGKSA-N 2 0 225.380 1.155 40 0 BDABRP NNC(=[NH2+])SC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000585162727 344247467 /nfs/dbraw/zinc/24/74/67/344247467.db2.gz DRDOXVYPEAAFMZ-VHSXEESVSA-N 2 0 242.392 1.382 40 0 BDABRP Cc1nc([C@H]2CCC[NH2+]C2)cc2c[nH+]cn21 ZINC000257319377 180058271 /nfs/dbraw/zinc/05/82/71/180058271.db2.gz VSDPNTPNLOWBPP-JTQLQIEISA-N 2 0 216.288 1.505 40 0 BDABRP Cc1nn(C)c(C)c1C[N@H+](C)CCCC[NH3+] ZINC000096523774 180335423 /nfs/dbraw/zinc/33/54/23/180335423.db2.gz FJGKTUUTWNNLPF-UHFFFAOYSA-N 2 0 224.352 1.208 40 0 BDABRP COC[C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1 ZINC000396018104 359799492 /nfs/dbraw/zinc/79/94/92/359799492.db2.gz QXLKBMCYPBXAPU-GFCCVEGCSA-N 2 0 212.337 1.239 40 0 BDABRP [NH3+]CCOC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079390684 181398914 /nfs/dbraw/zinc/39/89/14/181398914.db2.gz SDYPBBWJWPZUGW-OAHLLOKOSA-N 2 0 248.370 1.874 40 0 BDABRP [NH3+]Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000238856024 181482605 /nfs/dbraw/zinc/48/26/05/181482605.db2.gz UQNMTLIVIOFSQQ-HNNXBMFYSA-N 2 0 245.370 1.425 40 0 BDABRP CN(CCc1ccccn1)C[C@H]1CCCC[NH2+]1 ZINC000020074299 371227132 /nfs/dbraw/zinc/22/71/32/371227132.db2.gz YBJOCACJYAPFLM-CQSZACIVSA-N 2 0 233.359 1.698 40 0 BDABRP CCC[NH+]1CCN(CC[C@@H]([NH3+])C(C)C)CC1 ZINC000096523811 169202497 /nfs/dbraw/zinc/20/24/97/169202497.db2.gz WLQAYNDDFLMKFY-CYBMUJFWSA-N 2 0 227.396 1.387 40 0 BDABRP CC(C)N(C(=O)C[NH3+])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100178246 384282768 /nfs/dbraw/zinc/28/27/68/384282768.db2.gz CNKYAUDRFAQNBC-TXEJJXNPSA-N 2 0 241.379 1.055 40 0 BDABRP CC(C)([NH3+])CCC(C)(C)[NH2+]CCC[NH3+] ZINC000001730022 384449348 /nfs/dbraw/zinc/44/93/48/384449348.db2.gz CGPKWHNTCWUIIJ-UHFFFAOYSA-N 3 0 201.358 1.221 40 0 BDABRP Cc1cc([C@@H](C)[NH3+])cnc1N1CC[NH+](C)CC1 ZINC000072222565 385111025 /nfs/dbraw/zinc/11/10/25/385111025.db2.gz ONINHSPBRLVUOS-LLVKDONJSA-N 2 0 234.347 1.162 40 0 BDABRP CC[NH+]1CCN(c2ncc([C@@H](C)[NH3+])cc2C)CC1 ZINC000072222591 385112571 /nfs/dbraw/zinc/11/25/71/385112571.db2.gz ZGJZPLGDSGFAKM-GFCCVEGCSA-N 2 0 248.374 1.552 40 0 BDABRP [NH3+][C@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000050242960 385306525 /nfs/dbraw/zinc/30/65/25/385306525.db2.gz KSKCHOMALLABJE-NSHDSACASA-N 2 0 224.279 1.238 40 0 BDABRP CCCC[NH+]1CCN(CC[C@H]([NH3+])C(C)C)CC1 ZINC000096523822 385268919 /nfs/dbraw/zinc/26/89/19/385268919.db2.gz BZVAWLABGDCPDD-AWEZNQCLSA-N 2 0 241.423 1.778 40 0 BDABRP CCCC[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000096523761 385269327 /nfs/dbraw/zinc/26/93/27/385269327.db2.gz CFXROVACEFESGV-CQSZACIVSA-N 2 0 241.423 1.778 40 0 BDABRP C[NH+](C)C1CCN(c2cc[nH+]cc2N)CC1 ZINC000036191148 132340636 /nfs/dbraw/zinc/34/06/36/132340636.db2.gz WWJWLCPQIOWDGK-UHFFFAOYSA-N 2 0 220.320 1.194 40 0 BDABRP C[C@@H](NCC[NH+](C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863011 397976317 /nfs/dbraw/zinc/97/63/17/397976317.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 2 0 239.407 1.401 40 0 BDABRP C(=C/C[n+]1ccccc1)\C[n+]1ccccc1 ZINC000001662617 166225135 /nfs/dbraw/zinc/22/51/35/166225135.db2.gz GWUUPPPSIZYHCM-BQYQJAHWSA-N 2 0 212.296 1.518 40 0 BDABRP C[N@@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515794 173058312 /nfs/dbraw/zinc/05/83/12/173058312.db2.gz ZVFZUUAVIAYGQA-WPRPVWTQSA-N 2 0 220.320 1.513 40 0 BDABRP C[NH2+]CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000015424025 173342923 /nfs/dbraw/zinc/34/29/23/173342923.db2.gz XUHDADWPUKASPI-UHFFFAOYSA-N 2 0 233.359 1.903 40 0 BDABRP CC[N@H+](CCO)[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000242495419 521124142 /nfs/dbraw/zinc/12/41/42/521124142.db2.gz GEUFAFATOXRLKY-HAQNSBGRSA-N 2 0 214.353 1.173 40 0 BDABRP