smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000020506226 453666332 /nfs/dbraw/zinc/66/63/32/453666332.db2.gz KCXQXVFAYJNCCF-AWEZNQCLSA-N 2 2 338.249 3.482 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464880 454420695 /nfs/dbraw/zinc/42/06/95/454420695.db2.gz JBFHRAGGAUNCMQ-HNNXBMFYSA-N 2 2 334.435 3.042 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464880 454420702 /nfs/dbraw/zinc/42/07/02/454420702.db2.gz JBFHRAGGAUNCMQ-HNNXBMFYSA-N 2 2 334.435 3.042 20 10 EGCDLP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000185068763 455495720 /nfs/dbraw/zinc/49/57/20/455495720.db2.gz JJNUWVOBCRIUMI-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1O ZINC000296645208 455999187 /nfs/dbraw/zinc/99/91/87/455999187.db2.gz YJQAPWFAVMYBEM-HLVVYCRESA-N 2 2 339.277 3.431 20 10 EGCDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1O ZINC000296645208 455999195 /nfs/dbraw/zinc/99/91/95/455999195.db2.gz YJQAPWFAVMYBEM-HLVVYCRESA-N 2 2 339.277 3.431 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1O ZINC000273363619 456225819 /nfs/dbraw/zinc/22/58/19/456225819.db2.gz DJSPMWOJGXABDG-CQDKDKBSSA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1O ZINC000273363619 456225826 /nfs/dbraw/zinc/22/58/26/456225826.db2.gz DJSPMWOJGXABDG-CQDKDKBSSA-N 2 2 339.277 3.432 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000274761743 456264734 /nfs/dbraw/zinc/26/47/34/456264734.db2.gz KGTCINNRLYSAQM-AEFFLSMTSA-N 2 2 340.471 3.491 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842657 1293156987 /nfs/dbraw/zinc/15/69/87/1293156987.db2.gz BETJFACJIRHJCR-RXVVDRJESA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842657 1293156991 /nfs/dbraw/zinc/15/69/91/1293156991.db2.gz BETJFACJIRHJCR-RXVVDRJESA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889234 1302158631 /nfs/dbraw/zinc/15/86/31/1302158631.db2.gz KNAZBIOYJHXAMN-GJZGRUSLSA-N 2 2 348.878 3.112 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000764934626 1302170426 /nfs/dbraw/zinc/17/04/26/1302170426.db2.gz VQBGNMBRCNYTTR-QZTJIDSGSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000764934626 1302170429 /nfs/dbraw/zinc/17/04/29/1302170429.db2.gz VQBGNMBRCNYTTR-QZTJIDSGSA-N 2 2 345.531 3.374 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779191225 1304541080 /nfs/dbraw/zinc/54/10/80/1304541080.db2.gz FTBPMBNQAVTUMR-GOSISDBHSA-N 2 2 349.434 3.272 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808681162 1317715558 /nfs/dbraw/zinc/71/55/58/1317715558.db2.gz VUSPNBWPNDKBIY-ZDUSSCGKSA-N 2 2 326.868 3.115 20 10 EGCDLP CSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC[NH+](C)CC1 ZINC000810252534 1317986592 /nfs/dbraw/zinc/98/65/92/1317986592.db2.gz QRMVBZFYSONRSS-NSHDSACASA-N 2 2 330.444 3.148 20 10 EGCDLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938769 1319467098 /nfs/dbraw/zinc/46/70/98/1319467098.db2.gz RQIUROHJZZFHTQ-WOJBJXKFSA-N 2 2 325.456 3.038 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938585 1319467346 /nfs/dbraw/zinc/46/73/46/1319467346.db2.gz NPQRMZISORFZEM-UXHICEINSA-N 2 2 339.483 3.428 20 10 EGCDLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942843 1319470946 /nfs/dbraw/zinc/47/09/46/1319470946.db2.gz RFQPTFLLROHOTK-KUHUBIRLSA-N 2 2 329.492 3.189 20 10 EGCDLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041524 1321207324 /nfs/dbraw/zinc/20/73/24/1321207324.db2.gz CVUGBSGOYOSXSV-NRFANRHFSA-N 2 2 349.482 3.036 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1O ZINC000841764605 1321308671 /nfs/dbraw/zinc/30/86/71/1321308671.db2.gz QSEITBXPGBMDCQ-BBRMVZONSA-N 2 2 338.879 3.340 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125920 1321474500 /nfs/dbraw/zinc/47/45/00/1321474500.db2.gz CLNAMJLPXAQSEC-QWHCGFSZSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125920 1321474501 /nfs/dbraw/zinc/47/45/01/1321474501.db2.gz CLNAMJLPXAQSEC-QWHCGFSZSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)CC2 ZINC000854221955 1325230288 /nfs/dbraw/zinc/23/02/88/1325230288.db2.gz CHJBEVITXKXDKH-FGTMMUONSA-N 2 2 326.415 3.254 20 10 EGCDLP COc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c(O)c1 ZINC001203627533 1370192215 /nfs/dbraw/zinc/19/22/15/1370192215.db2.gz HTSUISDJKBVUMD-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c(O)c1 ZINC001203627533 1370192217 /nfs/dbraw/zinc/19/22/17/1370192217.db2.gz HTSUISDJKBVUMD-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C)c1 ZINC001219206177 1373694668 /nfs/dbraw/zinc/69/46/68/1373694668.db2.gz UTQHSJQCJYTGKD-VHTLWPPKSA-N 2 2 337.427 3.347 20 10 EGCDLP Cc1cc(O)c(C[NH+]2CCC3(CCC[NH2+]3)CC2)cc1Br ZINC001228556880 1375597064 /nfs/dbraw/zinc/59/70/64/1375597064.db2.gz SGOQCCRSBBXQGJ-UHFFFAOYSA-N 2 2 339.277 3.181 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001233290883 1376605666 /nfs/dbraw/zinc/60/56/66/1376605666.db2.gz BDYMHQYKOJVOOJ-HNNXBMFYSA-N 2 2 348.830 3.411 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001233290883 1376605671 /nfs/dbraw/zinc/60/56/71/1376605671.db2.gz BDYMHQYKOJVOOJ-HNNXBMFYSA-N 2 2 348.830 3.411 20 10 EGCDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235021550 1376829093 /nfs/dbraw/zinc/82/90/93/1376829093.db2.gz KOAHQBVRAREQFX-HNAYVOBHSA-N 2 2 326.415 3.382 20 10 EGCDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235021550 1376829099 /nfs/dbraw/zinc/82/90/99/1376829099.db2.gz KOAHQBVRAREQFX-HNAYVOBHSA-N 2 2 326.415 3.382 20 10 EGCDLP COCC[N@H+](Cc1c(C)n(C)c2ccccc21)C1CC[NH+](C)CC1 ZINC001138257028 1377694684 /nfs/dbraw/zinc/69/46/84/1377694684.db2.gz SLPPOEBGIDEYTL-UHFFFAOYSA-N 2 2 329.488 3.029 20 10 EGCDLP COCC[N@@H+](Cc1c(C)n(C)c2ccccc21)C1CC[NH+](C)CC1 ZINC001138257028 1377694685 /nfs/dbraw/zinc/69/46/85/1377694685.db2.gz SLPPOEBGIDEYTL-UHFFFAOYSA-N 2 2 329.488 3.029 20 10 EGCDLP CN1CCCc2cc(C[NH+]3CCC([NH+]4CCC(F)CC4)CC3)ccc21 ZINC001138356981 1377708855 /nfs/dbraw/zinc/70/88/55/1377708855.db2.gz XCDKZFQJLSXVAN-UHFFFAOYSA-N 2 2 345.506 3.467 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+][C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163321638 1383021807 /nfs/dbraw/zinc/02/18/07/1383021807.db2.gz DGDGCDHAQLDVNB-UYAOXDASSA-N 2 2 325.456 3.417 20 10 EGCDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1O ZINC000296645211 455999327 /nfs/dbraw/zinc/99/93/27/455999327.db2.gz YJQAPWFAVMYBEM-NDNKKMJESA-N 2 2 339.277 3.431 20 10 EGCDLP COc1ccc(N2CCC[N@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179826227 455085505 /nfs/dbraw/zinc/08/55/05/455085505.db2.gz FRVLFRNHAQSDFM-UHFFFAOYSA-N 2 2 336.439 3.055 20 10 EGCDLP COc1ccc(N2CCC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000179826227 455085508 /nfs/dbraw/zinc/08/55/08/455085508.db2.gz FRVLFRNHAQSDFM-UHFFFAOYSA-N 2 2 336.439 3.055 20 10 EGCDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1O ZINC000296645211 455999321 /nfs/dbraw/zinc/99/93/21/455999321.db2.gz YJQAPWFAVMYBEM-NDNKKMJESA-N 2 2 339.277 3.431 20 10 EGCDLP CN(C)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272696450 456043651 /nfs/dbraw/zinc/04/36/51/456043651.db2.gz RYIPFGQBGUVZHP-UHFFFAOYSA-N 2 2 329.410 3.259 20 10 EGCDLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287584204 456072100 /nfs/dbraw/zinc/07/21/00/456072100.db2.gz HQLTZHGYSCLIMG-XJKSGUPXSA-N 2 2 328.884 3.443 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1O ZINC000273536966 456237461 /nfs/dbraw/zinc/23/74/61/456237461.db2.gz XOJXOZVMXSUQTC-BBRMVZONSA-N 2 2 344.434 3.240 20 10 EGCDLP Cc1nc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc[nH+]1 ZINC000742406207 576780454 /nfs/dbraw/zinc/78/04/54/576780454.db2.gz GPSLMLBNICKAPE-OAHLLOKOSA-N 2 2 332.835 3.221 20 10 EGCDLP Cc1nc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc[nH+]1 ZINC000742406207 576780456 /nfs/dbraw/zinc/78/04/56/576780456.db2.gz GPSLMLBNICKAPE-OAHLLOKOSA-N 2 2 332.835 3.221 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1O ZINC000873290646 1297412721 /nfs/dbraw/zinc/41/27/21/1297412721.db2.gz BBSVMMUYWGTECN-BBRMVZONSA-N 2 2 338.879 3.245 20 10 EGCDLP CC[C@@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675712 1302115763 /nfs/dbraw/zinc/11/57/63/1302115763.db2.gz HIMALDCVLFGJPZ-QZTJIDSGSA-N 2 2 333.520 3.232 20 10 EGCDLP COc1cc(C)cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000895705426 1309476386 /nfs/dbraw/zinc/47/63/86/1309476386.db2.gz ACGFFCJHHJDWDE-GOSISDBHSA-N 2 2 337.423 3.437 20 10 EGCDLP CC(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858095410 1328680978 /nfs/dbraw/zinc/68/09/78/1328680978.db2.gz SWPWEZCQETYRDW-UHFFFAOYSA-N 2 2 325.447 3.241 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766257 1317896279 /nfs/dbraw/zinc/89/62/79/1317896279.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766257 1317896289 /nfs/dbraw/zinc/89/62/89/1317896289.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766257 1317896297 /nfs/dbraw/zinc/89/62/97/1317896297.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766257 1317896302 /nfs/dbraw/zinc/89/63/02/1317896302.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 2 2 341.293 3.235 20 10 EGCDLP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938761 1319467210 /nfs/dbraw/zinc/46/72/10/1319467210.db2.gz RPDBQDFNZXIEQK-RTBURBONSA-N 2 2 325.456 3.038 20 10 EGCDLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940246 1319468431 /nfs/dbraw/zinc/46/84/31/1319468431.db2.gz DZHGGQVNZOMXFW-ZWKOTPCHSA-N 2 2 343.446 3.177 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939976 1319468511 /nfs/dbraw/zinc/46/85/11/1319468511.db2.gz DOOWOVMHZDCFKK-KXBFYZLASA-N 2 2 327.472 3.426 20 10 EGCDLP C[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939601 1319468812 /nfs/dbraw/zinc/46/88/12/1319468812.db2.gz CSNPIYXYMYHSDE-JLZZUVOBSA-N 2 2 343.446 3.435 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942721 1319470465 /nfs/dbraw/zinc/47/04/65/1319470465.db2.gz QNWYUCVVVPTEMJ-MOPGFXCFSA-N 2 2 343.446 3.395 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000817944352 1319472326 /nfs/dbraw/zinc/47/23/26/1319472326.db2.gz ZQSSQYOGJNEQSD-OALUTQOASA-N 2 2 325.456 3.256 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000817950609 1319475164 /nfs/dbraw/zinc/47/51/64/1319475164.db2.gz YSMXERMBUVOQQZ-LJQANCHMSA-N 2 2 339.487 3.120 20 10 EGCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959454 1319477877 /nfs/dbraw/zinc/47/78/77/1319477877.db2.gz RKFMBKLBQWJQRX-HUUCEWRRSA-N 2 2 339.911 3.201 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870453 1320293151 /nfs/dbraw/zinc/29/31/51/1320293151.db2.gz RQTPRPFBBSGGPH-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870453 1320293155 /nfs/dbraw/zinc/29/31/55/1320293155.db2.gz RQTPRPFBBSGGPH-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CCC[C@H]1C[NH3+] ZINC001206026323 1370942282 /nfs/dbraw/zinc/94/22/82/1370942282.db2.gz RWFOAFSPDDENSJ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CCC[C@H]1C[NH3+] ZINC001206026323 1370942286 /nfs/dbraw/zinc/94/22/86/1370942286.db2.gz RWFOAFSPDDENSJ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203933144 1370320397 /nfs/dbraw/zinc/32/03/97/1370320397.db2.gz IAEOAZNKCDHCIS-KDURUIRLSA-N 2 2 339.483 3.300 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203933144 1370320405 /nfs/dbraw/zinc/32/04/05/1370320405.db2.gz IAEOAZNKCDHCIS-KDURUIRLSA-N 2 2 339.483 3.300 20 10 EGCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001203933144 1370320411 /nfs/dbraw/zinc/32/04/11/1370320411.db2.gz IAEOAZNKCDHCIS-KDURUIRLSA-N 2 2 339.483 3.300 20 10 EGCDLP CN(C)c1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001203933144 1370320417 /nfs/dbraw/zinc/32/04/17/1370320417.db2.gz IAEOAZNKCDHCIS-KDURUIRLSA-N 2 2 339.483 3.300 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1C[NH3+] ZINC001205638772 1370823302 /nfs/dbraw/zinc/82/33/02/1370823302.db2.gz RVPLFJFDIPLOAI-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1C[NH3+] ZINC001205638772 1370823309 /nfs/dbraw/zinc/82/33/09/1370823309.db2.gz RVPLFJFDIPLOAI-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CCC[C@H]1C[NH3+] ZINC001206021739 1370940037 /nfs/dbraw/zinc/94/00/37/1370940037.db2.gz AVDSFXQEKXRPKU-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CCC[C@H]1C[NH3+] ZINC001206021739 1370940040 /nfs/dbraw/zinc/94/00/40/1370940040.db2.gz AVDSFXQEKXRPKU-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP c1c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222390825 1373834032 /nfs/dbraw/zinc/83/40/32/1373834032.db2.gz VAPJHOIZBBKNKT-JOCHJYFZSA-N 2 2 339.527 3.494 20 10 EGCDLP c1c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222390825 1373834038 /nfs/dbraw/zinc/83/40/38/1373834038.db2.gz VAPJHOIZBBKNKT-JOCHJYFZSA-N 2 2 339.527 3.494 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192737879 455682433 /nfs/dbraw/zinc/68/24/33/455682433.db2.gz YRNGDTJBYDKJBI-LLVKDONJSA-N 2 2 347.286 3.460 20 10 EGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1O ZINC000185063214 455493784 /nfs/dbraw/zinc/49/37/84/455493784.db2.gz WUUKRLMFWIKGKG-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000192709350 455674956 /nfs/dbraw/zinc/67/49/56/455674956.db2.gz BHMDSCRYNRQYDN-AWEZNQCLSA-N 2 2 327.428 3.115 20 10 EGCDLP COc1ccc(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278634201 455843443 /nfs/dbraw/zinc/84/34/43/455843443.db2.gz IKNXJOSMBZGGLQ-UHFFFAOYSA-N 2 2 328.412 3.148 20 10 EGCDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)ccc1O ZINC000296419301 455933367 /nfs/dbraw/zinc/93/33/67/455933367.db2.gz LGPAEMGLQMQJQD-HLVVYCRESA-N 2 2 339.277 3.431 20 10 EGCDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)ccc1O ZINC000296419301 455933374 /nfs/dbraw/zinc/93/33/74/455933374.db2.gz LGPAEMGLQMQJQD-HLVVYCRESA-N 2 2 339.277 3.431 20 10 EGCDLP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1O ZINC000287598069 456073396 /nfs/dbraw/zinc/07/33/96/456073396.db2.gz IMOQRPVSJPPABS-QGZVFWFLSA-N 2 2 339.911 3.114 20 10 EGCDLP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1O ZINC000287598069 456073403 /nfs/dbraw/zinc/07/34/03/456073403.db2.gz IMOQRPVSJPPABS-QGZVFWFLSA-N 2 2 339.911 3.114 20 10 EGCDLP Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000273497394 456234425 /nfs/dbraw/zinc/23/44/25/456234425.db2.gz PMADAZOXZGQLOK-NVXWUHKLSA-N 2 2 340.471 3.409 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000369037429 458073161 /nfs/dbraw/zinc/07/31/61/458073161.db2.gz XEWKVMGCJNVBBZ-QAPCUYQASA-N 2 2 326.440 3.326 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000369037429 458073163 /nfs/dbraw/zinc/07/31/63/458073163.db2.gz XEWKVMGCJNVBBZ-QAPCUYQASA-N 2 2 326.440 3.326 20 10 EGCDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000691673001 1298136138 /nfs/dbraw/zinc/13/61/38/1298136138.db2.gz CAIMOBSAWYJCCZ-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000691673001 1298136143 /nfs/dbraw/zinc/13/61/43/1298136143.db2.gz CAIMOBSAWYJCCZ-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482874 1300503104 /nfs/dbraw/zinc/50/31/04/1300503104.db2.gz JQEKBSHVIDJVAQ-MGPQQGTHSA-N 2 2 342.430 3.210 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587769 1300527120 /nfs/dbraw/zinc/52/71/20/1300527120.db2.gz CJNNCVKMAQFMHO-SUMWQHHRSA-N 2 2 336.476 3.196 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201855 1301420523 /nfs/dbraw/zinc/42/05/23/1301420523.db2.gz GZMJWZZPSPYYJN-DOMZBBRYSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201855 1301420527 /nfs/dbraw/zinc/42/05/27/1301420527.db2.gz GZMJWZZPSPYYJN-DOMZBBRYSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201855 1301420532 /nfs/dbraw/zinc/42/05/32/1301420532.db2.gz GZMJWZZPSPYYJN-DOMZBBRYSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201855 1301420537 /nfs/dbraw/zinc/42/05/37/1301420537.db2.gz GZMJWZZPSPYYJN-DOMZBBRYSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470313 1303119421 /nfs/dbraw/zinc/11/94/21/1303119421.db2.gz LIRWDWMAHVITFF-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470313 1303119427 /nfs/dbraw/zinc/11/94/27/1303119427.db2.gz LIRWDWMAHVITFF-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470313 1303119430 /nfs/dbraw/zinc/11/94/30/1303119430.db2.gz LIRWDWMAHVITFF-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470313 1303119433 /nfs/dbraw/zinc/11/94/33/1303119433.db2.gz LIRWDWMAHVITFF-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP Cc1cc(N2CCC([NH2+][C@@H](C)c3c(O)cccc3F)CC2)nc(C)[nH+]1 ZINC000886537186 1303491466 /nfs/dbraw/zinc/49/14/66/1303491466.db2.gz VOIBWAPWAQWHMG-ZDUSSCGKSA-N 2 2 344.434 3.258 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1O ZINC000779067378 1304524939 /nfs/dbraw/zinc/52/49/39/1304524939.db2.gz WNPQBYPQRNJNOO-CMPLNLGQSA-N 2 2 336.233 3.017 20 10 EGCDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1O ZINC000798957944 1310463905 /nfs/dbraw/zinc/46/39/05/1310463905.db2.gz KGNJLRQAEHWNGK-UHFFFAOYSA-N 2 2 327.266 3.072 20 10 EGCDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1O ZINC000798957944 1310463908 /nfs/dbraw/zinc/46/39/08/1310463908.db2.gz KGNJLRQAEHWNGK-UHFFFAOYSA-N 2 2 327.266 3.072 20 10 EGCDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000858118340 1328687897 /nfs/dbraw/zinc/68/78/97/1328687897.db2.gz XGQIHXRQNUMINT-UHFFFAOYSA-N 2 2 339.277 3.261 20 10 EGCDLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817938506 1319467445 /nfs/dbraw/zinc/46/74/45/1319467445.db2.gz LTUUGVUOVJDPOW-NHCUHLMSSA-N 2 2 339.483 3.428 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942602 1319470107 /nfs/dbraw/zinc/47/01/07/1319470107.db2.gz PUZBYLFZUKRYMZ-RTBURBONSA-N 2 2 331.410 3.308 20 10 EGCDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817946640 1319471464 /nfs/dbraw/zinc/47/14/64/1319471464.db2.gz CCINUAQYAYKBGC-DCAQKATOSA-N 2 2 345.256 3.333 20 10 EGCDLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)c(F)cc1O ZINC000817984643 1319487004 /nfs/dbraw/zinc/48/70/04/1319487004.db2.gz WOCGMYVLQRWYRJ-VIFPVBQESA-N 2 2 331.229 3.087 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000841044208 1321208354 /nfs/dbraw/zinc/20/83/54/1321208354.db2.gz ULDINCXEQNPJPG-IBGZPJMESA-N 2 2 338.430 3.230 20 10 EGCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841751270 1321306461 /nfs/dbraw/zinc/30/64/61/1321306461.db2.gz HAFZDWKJOHJUID-KGLIPLIRSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841751270 1321306472 /nfs/dbraw/zinc/30/64/72/1321306472.db2.gz HAFZDWKJOHJUID-KGLIPLIRSA-N 2 2 326.868 3.197 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125919 1321474482 /nfs/dbraw/zinc/47/44/82/1321474482.db2.gz CLNAMJLPXAQSEC-OLZOCXBDSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125919 1321474483 /nfs/dbraw/zinc/47/44/83/1321474483.db2.gz CLNAMJLPXAQSEC-OLZOCXBDSA-N 2 2 326.843 3.396 20 10 EGCDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838855 1321815066 /nfs/dbraw/zinc/81/50/66/1321815066.db2.gz AZINVKVYIZVVKP-FXAWDEMLSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838855 1321815069 /nfs/dbraw/zinc/81/50/69/1321815069.db2.gz AZINVKVYIZVVKP-FXAWDEMLSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838855 1321815072 /nfs/dbraw/zinc/81/50/72/1321815072.db2.gz AZINVKVYIZVVKP-FXAWDEMLSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838855 1321815073 /nfs/dbraw/zinc/81/50/73/1321815073.db2.gz AZINVKVYIZVVKP-FXAWDEMLSA-N 2 2 342.483 3.268 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849349510 1322116032 /nfs/dbraw/zinc/11/60/32/1322116032.db2.gz BUENSHMYBGZOPD-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558432 1322266958 /nfs/dbraw/zinc/26/69/58/1322266958.db2.gz WSTGTZHDWLVWOJ-WBVHZDCISA-N 2 2 338.879 3.340 20 10 EGCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000850558089 1322267585 /nfs/dbraw/zinc/26/75/85/1322267585.db2.gz PUBYWGSVDQGONZ-CZUORRHYSA-N 2 2 338.879 3.258 20 10 EGCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000850558085 1322267640 /nfs/dbraw/zinc/26/76/40/1322267640.db2.gz PUBYWGSVDQGONZ-CJNGLKHVSA-N 2 2 338.879 3.258 20 10 EGCDLP COC1CC[NH+](C2CC[NH+](Cc3ccc(Cl)cc3O)CC2)CC1 ZINC001140464148 1378066403 /nfs/dbraw/zinc/06/64/03/1378066403.db2.gz DMGQALSBSLBHIU-UHFFFAOYSA-N 2 2 338.879 3.121 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+][C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163321633 1383022009 /nfs/dbraw/zinc/02/20/09/1383022009.db2.gz DGDGCDHAQLDVNB-ICSRJNTNSA-N 2 2 325.456 3.417 20 10 EGCDLP CCOCC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001172421457 1384788141 /nfs/dbraw/zinc/78/81/41/1384788141.db2.gz XOWLHRQVVKRMLJ-VHKYSDTDSA-N 2 2 344.455 3.244 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1O ZINC000185068831 455496042 /nfs/dbraw/zinc/49/60/42/455496042.db2.gz FSKYULLLYURKMJ-CQSZACIVSA-N 2 2 329.419 3.242 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000277593718 455609675 /nfs/dbraw/zinc/60/96/75/455609675.db2.gz VDWBKTHQESJISM-AWEZNQCLSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000277593718 455609679 /nfs/dbraw/zinc/60/96/79/455609679.db2.gz VDWBKTHQESJISM-AWEZNQCLSA-N 2 2 327.266 3.071 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1O ZINC000287770028 456078408 /nfs/dbraw/zinc/07/84/08/456078408.db2.gz RLIQJGLEZDWWNM-IUODEOHRSA-N 2 2 347.286 3.196 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000274761751 456264503 /nfs/dbraw/zinc/26/45/03/456264503.db2.gz KGTCINNRLYSAQM-WMZOPIPTSA-N 2 2 340.471 3.491 20 10 EGCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183409 1296150578 /nfs/dbraw/zinc/15/05/78/1296150578.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183409 1296150583 /nfs/dbraw/zinc/15/05/83/1296150583.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183409 1296150589 /nfs/dbraw/zinc/15/05/89/1296150589.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP CCOc1cccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000725845105 1298375291 /nfs/dbraw/zinc/37/52/91/1298375291.db2.gz KZXMFQUKAKOGBA-UHFFFAOYSA-N 2 2 337.423 3.326 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000877114754 1299162992 /nfs/dbraw/zinc/16/29/92/1299162992.db2.gz ABJAFWLAPSVEOE-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201861 1301420359 /nfs/dbraw/zinc/42/03/59/1301420359.db2.gz GZMJWZZPSPYYJN-WFASDCNBSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201861 1301420368 /nfs/dbraw/zinc/42/03/68/1301420368.db2.gz GZMJWZZPSPYYJN-WFASDCNBSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201861 1301420372 /nfs/dbraw/zinc/42/03/72/1301420372.db2.gz GZMJWZZPSPYYJN-WFASDCNBSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201861 1301420379 /nfs/dbraw/zinc/42/03/79/1301420379.db2.gz GZMJWZZPSPYYJN-WFASDCNBSA-N 2 2 326.868 3.359 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779191229 1304540937 /nfs/dbraw/zinc/54/09/37/1304540937.db2.gz FTBPMBNQAVTUMR-SFHVURJKSA-N 2 2 349.434 3.272 20 10 EGCDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Br)c1O ZINC000809753745 1317891138 /nfs/dbraw/zinc/89/11/38/1317891138.db2.gz ZMJLMTWLNLYRCN-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)c1O ZINC000809753745 1317891143 /nfs/dbraw/zinc/89/11/43/1317891143.db2.gz ZMJLMTWLNLYRCN-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767938 1317896705 /nfs/dbraw/zinc/89/67/05/1317896705.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767938 1317896708 /nfs/dbraw/zinc/89/67/08/1317896708.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767938 1317896711 /nfs/dbraw/zinc/89/67/11/1317896711.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767938 1317896714 /nfs/dbraw/zinc/89/67/14/1317896714.db2.gz YMERPCAUQJPQOP-IUODEOHRSA-N 2 2 339.277 3.071 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806132467 1317462911 /nfs/dbraw/zinc/46/29/11/1317462911.db2.gz WQSYGYQQWRQVHV-PBHICJAKSA-N 2 2 339.911 3.112 20 10 EGCDLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940798 1319468480 /nfs/dbraw/zinc/46/84/80/1319468480.db2.gz HUTFHCPPQMOEJU-PMACEKPBSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941132 1319470036 /nfs/dbraw/zinc/47/00/36/1319470036.db2.gz JDAHEYZTNWQKDY-VBKZILBWSA-N 2 2 325.456 3.133 20 10 EGCDLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000817953800 1319475201 /nfs/dbraw/zinc/47/52/01/1319475201.db2.gz RNNYJOLVDMBDIH-SNVBAGLBSA-N 2 2 333.245 3.333 20 10 EGCDLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817965591 1319479938 /nfs/dbraw/zinc/47/99/38/1319479938.db2.gz ASKKIUCPYRWNEJ-BONVTDFDSA-N 2 2 345.256 3.334 20 10 EGCDLP CC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973895 1319482493 /nfs/dbraw/zinc/48/24/93/1319482493.db2.gz HGAFOFJKACSMLJ-GOEBONIOSA-N 2 2 346.393 3.220 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)cc(F)c1O ZINC000817984376 1319485362 /nfs/dbraw/zinc/48/53/62/1319485362.db2.gz RMVMDVUWOBRPCJ-SECBINFHSA-N 2 2 331.229 3.087 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)c(F)cc1O ZINC000818615412 1319570078 /nfs/dbraw/zinc/57/00/78/1319570078.db2.gz NXJXEURRDGADOX-BZHVJNSISA-N 2 2 331.229 3.214 20 10 EGCDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2O)C1 ZINC000824889666 1320294058 /nfs/dbraw/zinc/29/40/58/1320294058.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2O)C1 ZINC000824889666 1320294059 /nfs/dbraw/zinc/29/40/59/1320294059.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824889666 1320294062 /nfs/dbraw/zinc/29/40/62/1320294062.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824889666 1320294065 /nfs/dbraw/zinc/29/40/65/1320294065.db2.gz SPDYBSGMVDMWCR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000841041726 1321207667 /nfs/dbraw/zinc/20/76/67/1321207667.db2.gz AXNPJVKRPKHLJV-LJQANCHMSA-N 2 2 338.430 3.230 20 10 EGCDLP CCN(CC)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841042455 1321207965 /nfs/dbraw/zinc/20/79/65/1321207965.db2.gz JTPDWSSCXYTCBB-NRFANRHFSA-N 2 2 340.515 3.388 20 10 EGCDLP COc1ccc(CC[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841044944 1321208408 /nfs/dbraw/zinc/20/84/08/1321208408.db2.gz GKQGBLQMPPHLDD-KKSFZXQISA-N 2 2 341.499 3.372 20 10 EGCDLP COc1ccc2oc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000841046254 1321209280 /nfs/dbraw/zinc/20/92/80/1321209280.db2.gz YOTUJVXEWSALLP-LJQANCHMSA-N 2 2 339.439 3.297 20 10 EGCDLP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C)c1 ZINC001219206136 1373694460 /nfs/dbraw/zinc/69/44/60/1373694460.db2.gz TXSXLORPWQONET-RTDLDRDPSA-N 2 2 325.416 3.333 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112627 1376846231 /nfs/dbraw/zinc/84/62/31/1376846231.db2.gz YQDHNZJMYKLBKI-OAQYLSRUSA-N 2 2 338.451 3.299 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112627 1376846234 /nfs/dbraw/zinc/84/62/34/1376846234.db2.gz YQDHNZJMYKLBKI-OAQYLSRUSA-N 2 2 338.451 3.299 20 10 EGCDLP CCCCN(CCCC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030199 1376927535 /nfs/dbraw/zinc/92/75/35/1376927535.db2.gz WDLDOESQNZVVJA-YLJYHZDGSA-N 2 2 331.504 3.332 20 10 EGCDLP CCCCN(CCCC)c1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030199 1376927542 /nfs/dbraw/zinc/92/75/42/1376927542.db2.gz WDLDOESQNZVVJA-YLJYHZDGSA-N 2 2 331.504 3.332 20 10 EGCDLP Oc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048729 /nfs/dbraw/zinc/04/87/29/1378048729.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048730 /nfs/dbraw/zinc/04/87/30/1378048730.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048731 /nfs/dbraw/zinc/04/87/31/1378048731.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001140338778 1378048732 /nfs/dbraw/zinc/04/87/32/1378048732.db2.gz PEJXSPBXVSENNM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000177266601 454844967 /nfs/dbraw/zinc/84/49/67/454844967.db2.gz YXSKSYWDPZTXBF-CQSZACIVSA-N 2 2 336.863 3.166 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000177266601 454844970 /nfs/dbraw/zinc/84/49/70/454844970.db2.gz YXSKSYWDPZTXBF-CQSZACIVSA-N 2 2 336.863 3.166 20 10 EGCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000185053665 455493085 /nfs/dbraw/zinc/49/30/85/455493085.db2.gz QQTDPFHCYZXWPX-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP CN(C)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1F ZINC000272558873 455993306 /nfs/dbraw/zinc/99/33/06/455993306.db2.gz NIZLPZRVBSEXSJ-UHFFFAOYSA-N 2 2 347.400 3.398 20 10 EGCDLP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1O ZINC000287527937 456071513 /nfs/dbraw/zinc/07/15/13/456071513.db2.gz DNRMVIIEVABTGU-QGZVFWFLSA-N 2 2 339.911 3.112 20 10 EGCDLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000287584198 456072157 /nfs/dbraw/zinc/07/21/57/456072157.db2.gz HQLTZHGYSCLIMG-CZUORRHYSA-N 2 2 328.884 3.443 20 10 EGCDLP CC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1O ZINC000873290647 1297412659 /nfs/dbraw/zinc/41/26/59/1297412659.db2.gz BBSVMMUYWGTECN-CJNGLKHVSA-N 2 2 338.879 3.245 20 10 EGCDLP CCOc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(O)c1 ZINC000725844969 1298374679 /nfs/dbraw/zinc/37/46/79/1298374679.db2.gz DOLFJPODDZMQGU-UHFFFAOYSA-N 2 2 337.423 3.326 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756503746 1300509813 /nfs/dbraw/zinc/50/98/13/1300509813.db2.gz LZPYYMFPHMQJSD-ZJUUUORDSA-N 2 2 333.245 3.285 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000757659127 1300705659 /nfs/dbraw/zinc/70/56/59/1300705659.db2.gz WSJRMIBAIGXYTP-GJZGRUSLSA-N 2 2 334.460 3.094 20 10 EGCDLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(Br)c2O)CC1 ZINC000781895700 1304888080 /nfs/dbraw/zinc/88/80/80/1304888080.db2.gz WQEORUISVNFNHC-UHFFFAOYSA-N 2 2 341.293 3.379 20 10 EGCDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(Br)c2O)CC1 ZINC000781895700 1304888086 /nfs/dbraw/zinc/88/80/86/1304888086.db2.gz WQEORUISVNFNHC-UHFFFAOYSA-N 2 2 341.293 3.379 20 10 EGCDLP Oc1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000824596189 1320268437 /nfs/dbraw/zinc/26/84/37/1320268437.db2.gz CGGLVWPQMKMYLZ-LBPRGKRZSA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000824596189 1320268440 /nfs/dbraw/zinc/26/84/40/1320268440.db2.gz CGGLVWPQMKMYLZ-LBPRGKRZSA-N 2 2 336.233 3.257 20 10 EGCDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897973 1319455318 /nfs/dbraw/zinc/45/53/18/1319455318.db2.gz YEPCWSWSWDVFAT-PKOBYXMFSA-N 2 2 345.531 3.312 20 10 EGCDLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938889 1319466968 /nfs/dbraw/zinc/46/69/68/1319466968.db2.gz VASHOIXSYWCZJE-SFTDATJTSA-N 2 2 339.483 3.428 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938084 1319467395 /nfs/dbraw/zinc/46/73/95/1319467395.db2.gz DCEIKTPFCKXGDM-KDOFPFPSSA-N 2 2 342.443 3.320 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939537 1319468236 /nfs/dbraw/zinc/46/82/36/1319468236.db2.gz CKNQBUAOZXMVCM-KXBFYZLASA-N 2 2 326.488 3.169 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940552 1319468332 /nfs/dbraw/zinc/46/83/32/1319468332.db2.gz JUMWDMIEZZTDPU-FOIQADDNSA-N 2 2 327.472 3.420 20 10 EGCDLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940766 1319469221 /nfs/dbraw/zinc/46/92/21/1319469221.db2.gz HSQJJYZOLPSFDT-AUUYWEPGSA-N 2 2 343.519 3.363 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000817943581 1319470001 /nfs/dbraw/zinc/47/00/01/1319470001.db2.gz VQOZDBXZZFPWJC-PMACEKPBSA-N 2 2 341.524 3.373 20 10 EGCDLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817965595 1319479986 /nfs/dbraw/zinc/47/99/86/1319479986.db2.gz ASKKIUCPYRWNEJ-ZUZCIYMTSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817970325 1319481491 /nfs/dbraw/zinc/48/14/91/1319481491.db2.gz RKGLKSMXGXHXOL-GDPRMGEGSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817986850 1319487010 /nfs/dbraw/zinc/48/70/10/1319487010.db2.gz USPIPJZFBJAJGM-JTQLQIEISA-N 2 2 343.240 3.254 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855921 1320291723 /nfs/dbraw/zinc/29/17/23/1320291723.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855921 1320291727 /nfs/dbraw/zinc/29/17/27/1320291727.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855921 1320291729 /nfs/dbraw/zinc/29/17/29/1320291729.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855921 1320291732 /nfs/dbraw/zinc/29/17/32/1320291732.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 2 2 341.293 3.459 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840929105 1321179819 /nfs/dbraw/zinc/17/98/19/1321179819.db2.gz FXNNYZUVGDGBCZ-UHFFFAOYSA-N 2 2 335.455 3.240 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841045449 1321208249 /nfs/dbraw/zinc/20/82/49/1321208249.db2.gz KZDJTPNELHETLR-MJGOQNOKSA-N 2 2 329.875 3.163 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000841046195 1321209182 /nfs/dbraw/zinc/20/91/82/1321209182.db2.gz XUDHGQGMFXLIFR-KRWDZBQOSA-N 2 2 330.501 3.266 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1O ZINC000841764614 1321308820 /nfs/dbraw/zinc/30/88/20/1321308820.db2.gz QSEITBXPGBMDCQ-CZUORRHYSA-N 2 2 338.879 3.340 20 10 EGCDLP CCC[N@H+](Cc1cccc(Br)c1O)C1CC[NH2+]CC1 ZINC000843044192 1321460680 /nfs/dbraw/zinc/46/06/80/1321460680.db2.gz GMKHAQLLBHDWSR-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP CCC[N@@H+](Cc1cccc(Br)c1O)C1CC[NH2+]CC1 ZINC000843044192 1321460682 /nfs/dbraw/zinc/46/06/82/1321460682.db2.gz GMKHAQLLBHDWSR-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051958 1321462310 /nfs/dbraw/zinc/46/23/10/1321462310.db2.gz JDXSOUNFYQQZQU-SMDDNHRTSA-N 2 2 327.266 3.022 20 10 EGCDLP CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051958 1321462312 /nfs/dbraw/zinc/46/23/12/1321462312.db2.gz JDXSOUNFYQQZQU-SMDDNHRTSA-N 2 2 327.266 3.022 20 10 EGCDLP CCc1cccc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1O ZINC000848899622 1322037387 /nfs/dbraw/zinc/03/73/87/1322037387.db2.gz QXOMBQVJIDSANK-GOSISDBHSA-N 2 2 340.471 3.102 20 10 EGCDLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000849350134 1322116594 /nfs/dbraw/zinc/11/65/94/1322116594.db2.gz RNHSWHKONYYOPX-RTBURBONSA-N 2 2 344.430 3.165 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557134 1322266195 /nfs/dbraw/zinc/26/61/95/1322266195.db2.gz LLBZZGWCZIDZMY-PMACEKPBSA-N 2 2 331.504 3.047 20 10 EGCDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377604 1329480436 /nfs/dbraw/zinc/48/04/36/1329480436.db2.gz JGEJMGGDHKUGAZ-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377604 1329480437 /nfs/dbraw/zinc/48/04/37/1329480437.db2.gz JGEJMGGDHKUGAZ-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377604 1329480439 /nfs/dbraw/zinc/48/04/39/1329480439.db2.gz JGEJMGGDHKUGAZ-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377604 1329480442 /nfs/dbraw/zinc/48/04/42/1329480442.db2.gz JGEJMGGDHKUGAZ-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116482536 1370922482 /nfs/dbraw/zinc/92/24/82/1370922482.db2.gz JAYFJXBMQUNPGR-MRXNPFEDSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116482536 1370922486 /nfs/dbraw/zinc/92/24/86/1370922486.db2.gz JAYFJXBMQUNPGR-MRXNPFEDSA-N 2 2 327.428 3.181 20 10 EGCDLP Oc1cc2c(cc1O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC001139360919 1377874150 /nfs/dbraw/zinc/87/41/50/1377874150.db2.gz IXOJGLOBXIZMIW-UHFFFAOYSA-N 2 2 335.407 3.232 20 10 EGCDLP Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CCC2 ZINC001139360919 1377874151 /nfs/dbraw/zinc/87/41/51/1377874151.db2.gz IXOJGLOBXIZMIW-UHFFFAOYSA-N 2 2 335.407 3.232 20 10 EGCDLP CCOc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319611631 1386209369 /nfs/dbraw/zinc/20/93/69/1386209369.db2.gz GETPCPTVHGHCPV-SFHVURJKSA-N 2 2 331.504 3.082 20 10 EGCDLP CCOc1ccc(N2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC001319611631 1386209373 /nfs/dbraw/zinc/20/93/73/1386209373.db2.gz GETPCPTVHGHCPV-SFHVURJKSA-N 2 2 331.504 3.082 20 10 EGCDLP COc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1O ZINC000076272163 203344469 /nfs/dbraw/zinc/34/44/69/203344469.db2.gz LJKYUJDYXQAPOE-UHFFFAOYSA-N 2 2 325.412 3.010 20 10 EGCDLP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287306072 456066511 /nfs/dbraw/zinc/06/65/11/456066511.db2.gz CSEOUYIQQVABSP-AWEZNQCLSA-N 2 2 347.286 3.196 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000185053753 455493452 /nfs/dbraw/zinc/49/34/52/455493452.db2.gz XDWUGWGOWUJYNZ-HNNXBMFYSA-N 2 2 341.455 3.111 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000185726144 455607926 /nfs/dbraw/zinc/60/79/26/455607926.db2.gz VUDUXUKYRXDUAR-HIFRSBDPSA-N 2 2 348.462 3.477 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000185726144 455607934 /nfs/dbraw/zinc/60/79/34/455607934.db2.gz VUDUXUKYRXDUAR-HIFRSBDPSA-N 2 2 348.462 3.477 20 10 EGCDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)[nH+]c2)C1 ZINC000296967094 456077569 /nfs/dbraw/zinc/07/75/69/456077569.db2.gz RJULCPAYOGLGQA-IRXDYDNUSA-N 2 2 338.455 3.027 20 10 EGCDLP CCOc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290572272 456369698 /nfs/dbraw/zinc/36/96/98/456369698.db2.gz TXJGDNZFKCGQJS-UHFFFAOYSA-N 2 2 344.455 3.480 20 10 EGCDLP CCOc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290572272 456369703 /nfs/dbraw/zinc/36/97/03/456369703.db2.gz TXJGDNZFKCGQJS-UHFFFAOYSA-N 2 2 344.455 3.480 20 10 EGCDLP Cc1cccc(O)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000877095539 1299155433 /nfs/dbraw/zinc/15/54/33/1299155433.db2.gz RDJMIMVSOYVFCS-UHFFFAOYSA-N 2 2 340.471 3.238 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587764 1300527099 /nfs/dbraw/zinc/52/70/99/1300527099.db2.gz CJNNCVKMAQFMHO-CXAGYDPISA-N 2 2 336.476 3.196 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000817406236 1319349527 /nfs/dbraw/zinc/34/95/27/1319349527.db2.gz KQADSFRZVDPYTO-UHFFFAOYSA-N 2 2 347.466 3.236 20 10 EGCDLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940275 1319467998 /nfs/dbraw/zinc/46/79/98/1319467998.db2.gz FHXQBWWQAARFTC-YSSFQJQWSA-N 2 2 327.472 3.118 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941918 1319470970 /nfs/dbraw/zinc/47/09/70/1319470970.db2.gz LSQYGKBBUGJHLF-SJCJKPOMSA-N 2 2 333.863 3.462 20 10 EGCDLP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000817948043 1319473988 /nfs/dbraw/zinc/47/39/88/1319473988.db2.gz STJZMRCJJYTYBY-MFAVDMRSSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817966187 1319479249 /nfs/dbraw/zinc/47/92/49/1319479249.db2.gz IHYWGKVIQCKYAP-ZUZCIYMTSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1O ZINC000817976896 1319484046 /nfs/dbraw/zinc/48/40/46/1319484046.db2.gz WNXLIFROJWKDRD-OTYXRUKQSA-N 2 2 343.240 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000818615041 1319570336 /nfs/dbraw/zinc/57/03/36/1319570336.db2.gz KYFNQQXKJWBQHT-MORSLUCNSA-N 2 2 337.895 3.097 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825697791 1320356060 /nfs/dbraw/zinc/35/60/60/1320356060.db2.gz JTSQIXDUPYETGJ-AWEZNQCLSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825697791 1320356064 /nfs/dbraw/zinc/35/60/64/1320356064.db2.gz JTSQIXDUPYETGJ-AWEZNQCLSA-N 2 2 327.266 3.071 20 10 EGCDLP CC(C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841043624 1321208430 /nfs/dbraw/zinc/20/84/30/1321208430.db2.gz PRJKDERRIYHMTC-HXUWFJFHSA-N 2 2 327.472 3.329 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841750768 1321306804 /nfs/dbraw/zinc/30/68/04/1321306804.db2.gz JCEMODURPFZWBF-AFAVFJNCSA-N 2 2 338.879 3.074 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1O ZINC000841757268 1321307470 /nfs/dbraw/zinc/30/74/70/1321307470.db2.gz CTJIEDPXNTWKJS-ZIAGYGMSSA-N 2 2 338.879 3.197 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843044067 1321460569 /nfs/dbraw/zinc/46/05/69/1321460569.db2.gz RROIKTYTTFFGLD-UHFFFAOYSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000843044067 1321460571 /nfs/dbraw/zinc/46/05/71/1321460571.db2.gz RROIKTYTTFFGLD-UHFFFAOYSA-N 2 2 339.277 3.180 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044562 1321460665 /nfs/dbraw/zinc/46/06/65/1321460665.db2.gz JGPOVXPTOOMFHY-KRWDZBQOSA-N 2 2 346.475 3.017 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044562 1321460667 /nfs/dbraw/zinc/46/06/67/1321460667.db2.gz JGPOVXPTOOMFHY-KRWDZBQOSA-N 2 2 346.475 3.017 20 10 EGCDLP COc1cccc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000846137810 1321770428 /nfs/dbraw/zinc/77/04/28/1321770428.db2.gz HIIDHPMYKJFDIU-HNNXBMFYSA-N 2 2 337.423 3.496 20 10 EGCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232270462 1376428108 /nfs/dbraw/zinc/42/81/08/1376428108.db2.gz BWHYXGYESXFRKT-HNNXBMFYSA-N 2 2 348.830 3.493 20 10 EGCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232270462 1376428114 /nfs/dbraw/zinc/42/81/14/1376428114.db2.gz BWHYXGYESXFRKT-HNNXBMFYSA-N 2 2 348.830 3.493 20 10 EGCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001237142308 1376976757 /nfs/dbraw/zinc/97/67/57/1376976757.db2.gz GVCKGZSFMJCKNI-OAHLLOKOSA-N 2 2 338.329 3.459 20 10 EGCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001237142308 1376976760 /nfs/dbraw/zinc/97/67/60/1376976760.db2.gz GVCKGZSFMJCKNI-OAHLLOKOSA-N 2 2 338.329 3.459 20 10 EGCDLP Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140467504 1378069109 /nfs/dbraw/zinc/06/91/09/1378069109.db2.gz RTUMPGKSWFBWEK-HZPDHXFCSA-N 2 2 343.858 3.004 20 10 EGCDLP CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265202 1384946942 /nfs/dbraw/zinc/94/69/42/1384946942.db2.gz QRQRVZQGYSWFAD-MOPGFXCFSA-N 2 2 345.531 3.376 20 10 EGCDLP CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265205 1384947025 /nfs/dbraw/zinc/94/70/25/1384947025.db2.gz QRQRVZQGYSWFAD-RTBURBONSA-N 2 2 345.531 3.376 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cn1 ZINC000190802308 455385098 /nfs/dbraw/zinc/38/50/98/455385098.db2.gz VYPBZBBPVOIBIF-UHFFFAOYSA-N 2 2 346.793 3.364 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126344816 454887512 /nfs/dbraw/zinc/88/75/12/454887512.db2.gz IMKMGXJCRBRHST-HNNXBMFYSA-N 2 2 335.455 3.493 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000175707240 455484715 /nfs/dbraw/zinc/48/47/15/455484715.db2.gz QCEQWRLGIAJQJQ-KRWDZBQOSA-N 2 2 334.435 3.184 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1O ZINC000175707240 455484720 /nfs/dbraw/zinc/48/47/20/455484720.db2.gz QCEQWRLGIAJQJQ-KRWDZBQOSA-N 2 2 334.435 3.184 20 10 EGCDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185008955 455486243 /nfs/dbraw/zinc/48/62/43/455486243.db2.gz GTZBIYSHBMBJOW-NSHDSACASA-N 2 2 335.275 3.318 20 10 EGCDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185008955 455486246 /nfs/dbraw/zinc/48/62/46/455486246.db2.gz GTZBIYSHBMBJOW-NSHDSACASA-N 2 2 335.275 3.318 20 10 EGCDLP Cc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1O ZINC000179900034 455095785 /nfs/dbraw/zinc/09/57/85/455095785.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1O ZINC000179900034 455095790 /nfs/dbraw/zinc/09/57/90/455095790.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000185053681 455492637 /nfs/dbraw/zinc/49/26/37/455492637.db2.gz QQTDPFHCYZXWPX-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000185726125 455607507 /nfs/dbraw/zinc/60/75/07/455607507.db2.gz VUDUXUKYRXDUAR-ZFWWWQNUSA-N 2 2 348.462 3.477 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000185726125 455607517 /nfs/dbraw/zinc/60/75/17/455607517.db2.gz VUDUXUKYRXDUAR-ZFWWWQNUSA-N 2 2 348.462 3.477 20 10 EGCDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000277629656 455617875 /nfs/dbraw/zinc/61/78/75/455617875.db2.gz CDSFNMRVONKOQK-LBPRGKRZSA-N 2 2 347.286 3.290 20 10 EGCDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000277629656 455617876 /nfs/dbraw/zinc/61/78/76/455617876.db2.gz CDSFNMRVONKOQK-LBPRGKRZSA-N 2 2 347.286 3.290 20 10 EGCDLP CN(Cc1cccs1)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000294751794 455826738 /nfs/dbraw/zinc/82/67/38/455826738.db2.gz KVQSTPPGGOYZJH-UHFFFAOYSA-N 2 2 326.469 3.371 20 10 EGCDLP C[N@@H+](Cc1ccccc1O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278558643 455839959 /nfs/dbraw/zinc/83/99/59/455839959.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 2 340.467 3.115 20 10 EGCDLP C[N@H+](Cc1ccccc1O)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278558643 455839962 /nfs/dbraw/zinc/83/99/62/455839962.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 2 340.467 3.115 20 10 EGCDLP C[NH+](Cc1ccccc1O)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278558643 455839966 /nfs/dbraw/zinc/83/99/66/455839966.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 2 340.467 3.115 20 10 EGCDLP C[NH+](Cc1ccccc1O)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278558643 455839970 /nfs/dbraw/zinc/83/99/70/455839970.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 2 2 340.467 3.115 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(Cl)c1O ZINC000287546114 456072413 /nfs/dbraw/zinc/07/24/13/456072413.db2.gz FISPLIIBTGTZOC-MRXNPFEDSA-N 2 2 326.868 3.197 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000037267116 522560814 /nfs/dbraw/zinc/56/08/14/522560814.db2.gz BNFPSOPGOOMNSY-AWEZNQCLSA-N 2 2 327.266 3.290 20 10 EGCDLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000037158055 522690581 /nfs/dbraw/zinc/69/05/81/522690581.db2.gz YXZWBKKCTWPYCQ-FZMZJTMJSA-N 2 2 338.249 3.481 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843119312 1321473471 /nfs/dbraw/zinc/47/34/71/1321473471.db2.gz XUJQMERAZQMWSU-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccs3)CC2)cc1 ZINC000102560274 1292978955 /nfs/dbraw/zinc/97/89/55/1292978955.db2.gz GDURJMXCWJEIQX-UHFFFAOYSA-N 2 2 345.512 3.059 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201857 1301419762 /nfs/dbraw/zinc/41/97/62/1301419762.db2.gz GZMJWZZPSPYYJN-IUODEOHRSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201857 1301419767 /nfs/dbraw/zinc/41/97/67/1301419767.db2.gz GZMJWZZPSPYYJN-IUODEOHRSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201857 1301419773 /nfs/dbraw/zinc/41/97/73/1301419773.db2.gz GZMJWZZPSPYYJN-IUODEOHRSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@H]1C ZINC000761201857 1301419778 /nfs/dbraw/zinc/41/97/78/1301419778.db2.gz GZMJWZZPSPYYJN-IUODEOHRSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882942656 1302174921 /nfs/dbraw/zinc/17/49/21/1302174921.db2.gz KVXZWSMILWWREA-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882942656 1302174926 /nfs/dbraw/zinc/17/49/26/1302174926.db2.gz KVXZWSMILWWREA-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP CN(C)c1cc(F)c(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000858104788 1328683917 /nfs/dbraw/zinc/68/39/17/1328683917.db2.gz XPFIFUIXWMPIKP-QGZVFWFLSA-N 2 2 336.430 3.432 20 10 EGCDLP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940278 1319468286 /nfs/dbraw/zinc/46/82/86/1319468286.db2.gz FIQGCHWUOOUOLX-OXQOHEQNSA-N 2 2 326.488 3.148 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942228 1319469525 /nfs/dbraw/zinc/46/95/25/1319469525.db2.gz NAWKIKPMINZRSA-RTBURBONSA-N 2 2 328.435 3.027 20 10 EGCDLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817954599 1319475478 /nfs/dbraw/zinc/47/54/78/1319475478.db2.gz ZQNAGSVTXLNHTG-SNVBAGLBSA-N 2 2 333.245 3.333 20 10 EGCDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975934 1319483606 /nfs/dbraw/zinc/48/36/06/1319483606.db2.gz ZZHMBZSTGMIENO-GHTZIAJQSA-N 2 2 345.531 3.486 20 10 EGCDLP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1O ZINC000817980618 1319483701 /nfs/dbraw/zinc/48/37/01/1319483701.db2.gz LVOVGADQAUHTLE-MNOVXSKESA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1O ZINC000817980624 1319484072 /nfs/dbraw/zinc/48/40/72/1319484072.db2.gz LVOVGADQAUHTLE-WDEREUQCSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)c(F)cc1O ZINC000817981837 1319485626 /nfs/dbraw/zinc/48/56/26/1319485626.db2.gz OCHVUVPYNXZBBJ-LKFCYVNXSA-N 2 2 345.256 3.462 20 10 EGCDLP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825298173 1320324969 /nfs/dbraw/zinc/32/49/69/1320324969.db2.gz VWLYMBQWHXKLFQ-UHFFFAOYSA-N 2 2 338.249 3.230 20 10 EGCDLP COc1cc(O)c(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000841036206 1321205996 /nfs/dbraw/zinc/20/59/96/1321205996.db2.gz LEYFSJLEOQKJDV-KRWDZBQOSA-N 2 2 344.455 3.322 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000843119312 1321473469 /nfs/dbraw/zinc/47/34/69/1321473469.db2.gz XUJQMERAZQMWSU-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849349511 1322115732 /nfs/dbraw/zinc/11/57/32/1322115732.db2.gz BUENSHMYBGZOPD-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558571 1322266867 /nfs/dbraw/zinc/26/68/67/1322266867.db2.gz ZZEKANRDFZBFDG-QAPCUYQASA-N 2 2 340.467 3.449 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001206317022 1371020190 /nfs/dbraw/zinc/02/01/90/1371020190.db2.gz BAKQOZBNFDDNBG-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001206317022 1371020197 /nfs/dbraw/zinc/02/01/97/1371020197.db2.gz BAKQOZBNFDDNBG-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP C[N@H+](C1CCOCC1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663619 1370207133 /nfs/dbraw/zinc/20/71/33/1370207133.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 2 2 338.879 3.121 20 10 EGCDLP C[N@@H+](C1CCOCC1)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663619 1370207138 /nfs/dbraw/zinc/20/71/38/1370207138.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 2 2 338.879 3.121 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1O ZINC001203883017 1370298582 /nfs/dbraw/zinc/29/85/82/1370298582.db2.gz ZTCIUYZLXYSAFT-NRFANRHFSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1O ZINC001203883017 1370298584 /nfs/dbraw/zinc/29/85/84/1370298584.db2.gz ZTCIUYZLXYSAFT-NRFANRHFSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883017 1370298587 /nfs/dbraw/zinc/29/85/87/1370298587.db2.gz ZTCIUYZLXYSAFT-NRFANRHFSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883017 1370298590 /nfs/dbraw/zinc/29/85/90/1370298590.db2.gz ZTCIUYZLXYSAFT-NRFANRHFSA-N 2 2 338.451 3.196 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638301 1370822773 /nfs/dbraw/zinc/82/27/73/1370822773.db2.gz MBMVVIJJOUQTRQ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638301 1370822779 /nfs/dbraw/zinc/82/27/79/1370822779.db2.gz MBMVVIJJOUQTRQ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233291097 1376605553 /nfs/dbraw/zinc/60/55/53/1376605553.db2.gz LXAXZXQMFDUAAT-MRXNPFEDSA-N 2 2 348.830 3.493 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233291097 1376605555 /nfs/dbraw/zinc/60/55/55/1376605555.db2.gz LXAXZXQMFDUAAT-MRXNPFEDSA-N 2 2 348.830 3.493 20 10 EGCDLP Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140339074 1378049424 /nfs/dbraw/zinc/04/94/24/1378049424.db2.gz FAJKKESMYLILHC-GASCZTMLSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140339074 1378049435 /nfs/dbraw/zinc/04/94/35/1378049435.db2.gz FAJKKESMYLILHC-GASCZTMLSA-N 2 2 343.858 3.004 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC001140925832 1378183430 /nfs/dbraw/zinc/18/34/30/1378183430.db2.gz WJMYXLPOWBGHFE-QGZVFWFLSA-N 2 2 331.847 3.454 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC001140925832 1378183432 /nfs/dbraw/zinc/18/34/32/1378183432.db2.gz WJMYXLPOWBGHFE-QGZVFWFLSA-N 2 2 331.847 3.454 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000178231608 454944282 /nfs/dbraw/zinc/94/42/82/454944282.db2.gz NOILELLCQMHFMN-KRWDZBQOSA-N 2 2 338.499 3.463 20 10 EGCDLP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(F)c(F)c1O ZINC000187674071 455936521 /nfs/dbraw/zinc/93/65/21/455936521.db2.gz FEUUYBYAYMHIHU-MCIONIFRSA-N 2 2 342.430 3.210 20 10 EGCDLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000037158061 522934716 /nfs/dbraw/zinc/93/47/16/522934716.db2.gz YXZWBKKCTWPYCQ-BXUZGUMPSA-N 2 2 338.249 3.481 20 10 EGCDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1O ZINC000093660073 1292928944 /nfs/dbraw/zinc/92/89/44/1292928944.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 2 2 341.293 3.461 20 10 EGCDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1O ZINC000093660073 1292928949 /nfs/dbraw/zinc/92/89/49/1292928949.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 2 2 341.293 3.461 20 10 EGCDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1O ZINC000093660073 1292928954 /nfs/dbraw/zinc/92/89/54/1292928954.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 2 2 341.293 3.461 20 10 EGCDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1O ZINC000093660073 1292928964 /nfs/dbraw/zinc/92/89/64/1292928964.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 2 2 341.293 3.461 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553928 1300520601 /nfs/dbraw/zinc/52/06/01/1300520601.db2.gz NIAGRWZFWKUULT-GHMZBOCLSA-N 2 2 345.256 3.286 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553928 1300520607 /nfs/dbraw/zinc/52/06/07/1300520607.db2.gz NIAGRWZFWKUULT-GHMZBOCLSA-N 2 2 345.256 3.286 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000883081731 1302237226 /nfs/dbraw/zinc/23/72/26/1302237226.db2.gz NCWLVVMYINWBFO-UHFFFAOYSA-N 2 2 333.382 3.072 20 10 EGCDLP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883145399 1302269942 /nfs/dbraw/zinc/26/99/42/1302269942.db2.gz ZDMAMTWSFONTIG-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883145399 1302269950 /nfs/dbraw/zinc/26/99/50/1302269950.db2.gz ZDMAMTWSFONTIG-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938409 1319466043 /nfs/dbraw/zinc/46/60/43/1319466043.db2.gz JYIMKWCIQWVQKF-IIBYNOLFSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938639 1319467109 /nfs/dbraw/zinc/46/71/09/1319467109.db2.gz OTFHQGMKORQCOI-IERDGZPVSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938407 1319467413 /nfs/dbraw/zinc/46/74/13/1319467413.db2.gz JYIMKWCIQWVQKF-HRAATJIYSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941134 1319469737 /nfs/dbraw/zinc/46/97/37/1319469737.db2.gz JDAHEYZTNWQKDY-VLIAUNLRSA-N 2 2 325.456 3.133 20 10 EGCDLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942744 1319470024 /nfs/dbraw/zinc/47/00/24/1319470024.db2.gz QSMLQSSXPRAOKL-WBMJQRKESA-N 2 2 332.517 3.431 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000817941014 1319470550 /nfs/dbraw/zinc/47/05/50/1319470550.db2.gz IGTIIVFBSAJPAQ-HFSMHLIXSA-N 2 2 338.499 3.463 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817968062 1319480923 /nfs/dbraw/zinc/48/09/23/1319480923.db2.gz GRHZGIDUOHUHHO-KOLCDFICSA-N 2 2 331.229 3.087 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000841045728 1321208547 /nfs/dbraw/zinc/20/85/47/1321208547.db2.gz OYCKXHHTXGLGQN-LJQANCHMSA-N 2 2 331.504 3.081 20 10 EGCDLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841043685 1321208782 /nfs/dbraw/zinc/20/87/82/1321208782.db2.gz QCEOAQFDMVTVRB-FQEVSTJZSA-N 2 2 349.482 3.241 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000841046178 1321209295 /nfs/dbraw/zinc/20/92/95/1321209295.db2.gz XLEWGNSMMOBXLA-IBGZPJMESA-N 2 2 339.483 3.256 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052536 1321462366 /nfs/dbraw/zinc/46/23/66/1321462366.db2.gz VNABLLHUOSFTPM-NEPJUHHUSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052536 1321462368 /nfs/dbraw/zinc/46/23/68/1321462368.db2.gz VNABLLHUOSFTPM-NEPJUHHUSA-N 2 2 327.266 3.022 20 10 EGCDLP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000850091902 1322192435 /nfs/dbraw/zinc/19/24/35/1322192435.db2.gz COWYZKILMACOCA-AWEZNQCLSA-N 2 2 331.460 3.321 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092583 1323277616 /nfs/dbraw/zinc/27/76/16/1323277616.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092583 1323277622 /nfs/dbraw/zinc/27/76/22/1323277622.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000853248349 1325071782 /nfs/dbraw/zinc/07/17/82/1325071782.db2.gz DLKSQZVMTAGOIK-ZDUSSCGKSA-N 2 2 340.309 3.137 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)CC[C@H]1C[NH3+] ZINC001205638961 1370823728 /nfs/dbraw/zinc/82/37/28/1370823728.db2.gz TYJGZKUINQLCBQ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)CC[C@H]1C[NH3+] ZINC001205638961 1370823733 /nfs/dbraw/zinc/82/37/33/1370823733.db2.gz TYJGZKUINQLCBQ-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP [NH3+][C@H]1CCCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205938544 1370917477 /nfs/dbraw/zinc/91/74/77/1370917477.db2.gz IXFUMBISKISIMU-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+][C@H]1CCCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205938544 1370917481 /nfs/dbraw/zinc/91/74/81/1370917481.db2.gz IXFUMBISKISIMU-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206012743 1370937660 /nfs/dbraw/zinc/93/76/60/1370937660.db2.gz NKVWVATVXJOOBL-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206012743 1370937662 /nfs/dbraw/zinc/93/76/62/1370937662.db2.gz NKVWVATVXJOOBL-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278169 1373823962 /nfs/dbraw/zinc/82/39/62/1373823962.db2.gz XLMGTEZBYAEZBX-MRXNPFEDSA-N 2 2 344.377 3.256 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222278169 1373823968 /nfs/dbraw/zinc/82/39/68/1373823968.db2.gz XLMGTEZBYAEZBX-MRXNPFEDSA-N 2 2 344.377 3.256 20 10 EGCDLP Oc1ccc(C(F)(F)F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001237142306 1376976428 /nfs/dbraw/zinc/97/64/28/1376976428.db2.gz GVCKGZSFMJCKNI-HNNXBMFYSA-N 2 2 338.329 3.459 20 10 EGCDLP Oc1ccc(C(F)(F)F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001237142306 1376976432 /nfs/dbraw/zinc/97/64/32/1376976432.db2.gz GVCKGZSFMJCKNI-HNNXBMFYSA-N 2 2 338.329 3.459 20 10 EGCDLP C[N@@H+](Cc1c(O)cccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137839081 1377627103 /nfs/dbraw/zinc/62/71/03/1377627103.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 2 2 328.431 3.485 20 10 EGCDLP C[N@H+](Cc1c(O)cccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137839081 1377627105 /nfs/dbraw/zinc/62/71/05/1377627105.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 2 2 328.431 3.485 20 10 EGCDLP C[NH+](Cc1c(O)cccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137839081 1377627107 /nfs/dbraw/zinc/62/71/07/1377627107.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 2 2 328.431 3.485 20 10 EGCDLP C[NH+](Cc1c(O)cccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137839081 1377627108 /nfs/dbraw/zinc/62/71/08/1377627108.db2.gz QMADFJCZAQGITO-QGZVFWFLSA-N 2 2 328.431 3.485 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001140302572 1378042769 /nfs/dbraw/zinc/04/27/69/1378042769.db2.gz VBILOSYIQLXVCQ-QGZVFWFLSA-N 2 2 341.421 3.008 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@H](F)C3)cc2)CC1 ZINC001140302572 1378042770 /nfs/dbraw/zinc/04/27/70/1378042770.db2.gz VBILOSYIQLXVCQ-QGZVFWFLSA-N 2 2 341.421 3.008 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]cccc3-n3cccc3)cc2)CC1 ZINC001167426216 1383631322 /nfs/dbraw/zinc/63/13/22/1383631322.db2.gz CBKAWBRIFMQFSU-UHFFFAOYSA-N 2 2 347.466 3.236 20 10 EGCDLP CC(C)Oc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001167431218 1383632206 /nfs/dbraw/zinc/63/22/06/1383632206.db2.gz MXPBEBVDGJUFTM-UHFFFAOYSA-N 2 2 340.471 3.233 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4sccc4C3)cc2F)CC1 ZINC001319695664 1386256064 /nfs/dbraw/zinc/25/60/64/1386256064.db2.gz SHFMQDHPYWLANW-UHFFFAOYSA-N 2 2 345.487 3.197 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4sccc4C3)cc2F)CC1 ZINC001319695664 1386256069 /nfs/dbraw/zinc/25/60/69/1386256069.db2.gz SHFMQDHPYWLANW-UHFFFAOYSA-N 2 2 345.487 3.197 20 10 EGCDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090847453 454344981 /nfs/dbraw/zinc/34/49/81/454344981.db2.gz RIDSMCFWJWKLJI-INIZCTEOSA-N 2 2 343.446 3.259 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3nccs3)cc2F)CC1 ZINC000093406129 454712698 /nfs/dbraw/zinc/71/26/98/454712698.db2.gz PMZFFNPIKGQUKI-AWEZNQCLSA-N 2 2 348.491 3.275 20 10 EGCDLP CCOc1ccc(O)c(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290557696 456364545 /nfs/dbraw/zinc/36/45/45/456364545.db2.gz SESQDRHDCAAJBF-UHFFFAOYSA-N 2 2 344.455 3.480 20 10 EGCDLP CCOc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000290557696 456364551 /nfs/dbraw/zinc/36/45/51/456364551.db2.gz SESQDRHDCAAJBF-UHFFFAOYSA-N 2 2 344.455 3.480 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495331 457762487 /nfs/dbraw/zinc/76/24/87/457762487.db2.gz RRMPVMUOBHGXJN-SDDRHHMPSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495331 457762494 /nfs/dbraw/zinc/76/24/94/457762494.db2.gz RRMPVMUOBHGXJN-SDDRHHMPSA-N 2 2 345.270 3.213 20 10 EGCDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093397 1294127704 /nfs/dbraw/zinc/12/77/04/1294127704.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093397 1294127710 /nfs/dbraw/zinc/12/77/10/1294127710.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093397 1294127713 /nfs/dbraw/zinc/12/77/13/1294127713.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093397 1294127717 /nfs/dbraw/zinc/12/77/17/1294127717.db2.gz MLYBDRGLZBETHT-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CCC(C)(C)C)CC2)cc1 ZINC000237281002 1296232768 /nfs/dbraw/zinc/23/27/68/1296232768.db2.gz JBXHQSILMDMNOR-UHFFFAOYSA-N 2 2 333.520 3.233 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1O ZINC000873290649 1297412742 /nfs/dbraw/zinc/41/27/42/1297412742.db2.gz BBSVMMUYWGTECN-XJKSGUPXSA-N 2 2 338.879 3.245 20 10 EGCDLP Oc1c(Br)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000725849632 1298374415 /nfs/dbraw/zinc/37/44/15/1298374415.db2.gz SINFBADDRHHRQV-UHFFFAOYSA-N 2 2 339.277 3.261 20 10 EGCDLP COc1ccc(N2CCC([NH2+]CC[N@@H+]3CCCC(C)(C)C3)CC2)cc1 ZINC000774489068 1303816647 /nfs/dbraw/zinc/81/66/47/1303816647.db2.gz UMQWNPIVMDHKFZ-UHFFFAOYSA-N 2 2 345.531 3.376 20 10 EGCDLP COc1ccc(N2CCC([NH2+]CC[N@H+]3CCCC(C)(C)C3)CC2)cc1 ZINC000774489068 1303816653 /nfs/dbraw/zinc/81/66/53/1303816653.db2.gz UMQWNPIVMDHKFZ-UHFFFAOYSA-N 2 2 345.531 3.376 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938326 1319466202 /nfs/dbraw/zinc/46/62/02/1319466202.db2.gz JBWHYQHZZYUMDZ-RDTXWAMCSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940036 1319468126 /nfs/dbraw/zinc/46/81/26/1319468126.db2.gz DYLZPUIWQJIDOP-AUUYWEPGSA-N 2 2 344.478 3.308 20 10 EGCDLP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940803 1319468400 /nfs/dbraw/zinc/46/84/00/1319468400.db2.gz HUTFHCPPQMOEJU-UXHICEINSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817965589 1319479864 /nfs/dbraw/zinc/47/98/64/1319479864.db2.gz ASKKIUCPYRWNEJ-BMIGLBTASA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817968064 1319480741 /nfs/dbraw/zinc/48/07/41/1319480741.db2.gz GRHZGIDUOHUHHO-MWLCHTKSSA-N 2 2 331.229 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817970327 1319481060 /nfs/dbraw/zinc/48/10/60/1319481060.db2.gz RKGLKSMXGXHXOL-JMJZKYOTSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817970301 1319481234 /nfs/dbraw/zinc/48/12/34/1319481234.db2.gz QXZHSVLEXKBKLV-IVZWLZJFSA-N 2 2 331.229 3.214 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000841039597 1321206736 /nfs/dbraw/zinc/20/67/36/1321206736.db2.gz VWTUZEPQBWVQIB-UHFFFAOYSA-N 2 2 327.266 3.214 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000841044118 1321208130 /nfs/dbraw/zinc/20/81/30/1321208130.db2.gz TVFUPMCFYKCFFS-INIZCTEOSA-N 2 2 335.398 3.144 20 10 EGCDLP Cc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045189 1321208491 /nfs/dbraw/zinc/20/84/91/1321208491.db2.gz JEMVTLZYHNGJAD-HXUWFJFHSA-N 2 2 334.467 3.399 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]CCSCc2ccccc2)cc1 ZINC000841043267 1321208598 /nfs/dbraw/zinc/20/85/98/1321208598.db2.gz QBNRUTSLYCCCRF-LJQANCHMSA-N 2 2 329.513 3.275 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123093 1321473542 /nfs/dbraw/zinc/47/35/42/1321473542.db2.gz GUMACCBRWFSXQP-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123093 1321473543 /nfs/dbraw/zinc/47/35/43/1321473543.db2.gz GUMACCBRWFSXQP-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125921 1321474049 /nfs/dbraw/zinc/47/40/49/1321474049.db2.gz CLNAMJLPXAQSEC-STQMWFEESA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125921 1321474054 /nfs/dbraw/zinc/47/40/54/1321474054.db2.gz CLNAMJLPXAQSEC-STQMWFEESA-N 2 2 326.843 3.396 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558429 1322267517 /nfs/dbraw/zinc/26/75/17/1322267517.db2.gz WSTGTZHDWLVWOJ-DOTOQJQBSA-N 2 2 338.879 3.340 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)CC[C@@H]1C[NH3+] ZINC001205638963 1370822648 /nfs/dbraw/zinc/82/26/48/1370822648.db2.gz TYJGZKUINQLCBQ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)CC[C@@H]1C[NH3+] ZINC001205638963 1370822653 /nfs/dbraw/zinc/82/26/53/1370822653.db2.gz TYJGZKUINQLCBQ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638300 1370823751 /nfs/dbraw/zinc/82/37/51/1370823751.db2.gz MBMVVIJJOUQTRQ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638300 1370823754 /nfs/dbraw/zinc/82/37/54/1370823754.db2.gz MBMVVIJJOUQTRQ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203655963 1370203492 /nfs/dbraw/zinc/20/34/92/1370203492.db2.gz GPUQUDAKXWTMKD-UHFFFAOYSA-N 2 2 331.847 3.488 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CCC[C@H]1C[NH3+] ZINC001206021736 1370940605 /nfs/dbraw/zinc/94/06/05/1370940605.db2.gz AVDSFXQEKXRPKU-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CCC[C@H]1C[NH3+] ZINC001206021736 1370940608 /nfs/dbraw/zinc/94/06/08/1370940608.db2.gz AVDSFXQEKXRPKU-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1cc(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)nc(C)[nH+]1 ZINC001237053056 1376970979 /nfs/dbraw/zinc/97/09/79/1376970979.db2.gz FZYOUTSBAJTNMD-UHFFFAOYSA-N 2 2 340.471 3.245 20 10 EGCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061775 1376973868 /nfs/dbraw/zinc/97/38/68/1376973868.db2.gz KDIFMVLXNXAEMZ-UHFFFAOYSA-N 2 2 343.349 3.052 20 10 EGCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237061775 1376973872 /nfs/dbraw/zinc/97/38/72/1376973872.db2.gz KDIFMVLXNXAEMZ-UHFFFAOYSA-N 2 2 343.349 3.052 20 10 EGCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682891 /nfs/dbraw/zinc/68/28/91/1377682891.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682893 /nfs/dbraw/zinc/68/28/93/1377682893.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682896 /nfs/dbraw/zinc/68/28/96/1377682896.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682897 /nfs/dbraw/zinc/68/28/97/1377682897.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 2 2 340.442 3.485 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC(F)(F)C3)cc2)CC1 ZINC001140300085 1378042901 /nfs/dbraw/zinc/04/29/01/1378042901.db2.gz LWOKSDDDUXCLEM-UHFFFAOYSA-N 2 2 337.458 3.450 20 10 EGCDLP CN1CCOc2cc(C[N@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001141144521 1378248146 /nfs/dbraw/zinc/24/81/46/1378248146.db2.gz GBRISQLZTCUQQN-UHFFFAOYSA-N 2 2 348.450 3.333 20 10 EGCDLP CN1CCOc2cc(C[N@@H+](C)Cc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC001141144521 1378248158 /nfs/dbraw/zinc/24/81/58/1378248158.db2.gz GBRISQLZTCUQQN-UHFFFAOYSA-N 2 2 348.450 3.333 20 10 EGCDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000090847454 454345524 /nfs/dbraw/zinc/34/55/24/454345524.db2.gz RIDSMCFWJWKLJI-MRXNPFEDSA-N 2 2 343.446 3.259 20 10 EGCDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185116485 455504449 /nfs/dbraw/zinc/50/44/49/455504449.db2.gz PKHNSMGJBZPJQT-NSHDSACASA-N 2 2 347.286 3.196 20 10 EGCDLP CC[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000182804015 455167751 /nfs/dbraw/zinc/16/77/51/455167751.db2.gz ZUNKHYHFKKGQHQ-UHFFFAOYSA-N 2 2 338.249 3.263 20 10 EGCDLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)ccc1O ZINC000182804015 455167756 /nfs/dbraw/zinc/16/77/56/455167756.db2.gz ZUNKHYHFKKGQHQ-UHFFFAOYSA-N 2 2 338.249 3.263 20 10 EGCDLP C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000279898257 455876858 /nfs/dbraw/zinc/87/68/58/455876858.db2.gz LAYGMLBYBNUVHE-CYBMUJFWSA-N 2 2 340.393 3.394 20 10 EGCDLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1O ZINC000272821428 456080463 /nfs/dbraw/zinc/08/04/63/456080463.db2.gz FWDUPXCAUGYXHI-OAHLLOKOSA-N 2 2 340.471 3.491 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cscn3)cc2F)CC1 ZINC000271114328 456130404 /nfs/dbraw/zinc/13/04/04/456130404.db2.gz IAZNMWRMIXOAHJ-AWEZNQCLSA-N 2 2 348.491 3.275 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1O ZINC000273514685 456236313 /nfs/dbraw/zinc/23/63/13/456236313.db2.gz SFLWKUQUQLKPMN-CJNGLKHVSA-N 2 2 344.434 3.240 20 10 EGCDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(Br)c1O ZINC000105442814 1293036560 /nfs/dbraw/zinc/03/65/60/1293036560.db2.gz SNUKJHXUXDMCPZ-NSHDSACASA-N 2 2 338.249 3.086 20 10 EGCDLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000227435198 1296143735 /nfs/dbraw/zinc/14/37/35/1296143735.db2.gz WTNQAHLHBLSTBR-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708494292 1298240391 /nfs/dbraw/zinc/24/03/91/1298240391.db2.gz FAIWEIOHQGTXMX-OAHLLOKOSA-N 2 2 332.394 3.282 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708494292 1298240398 /nfs/dbraw/zinc/24/03/98/1298240398.db2.gz FAIWEIOHQGTXMX-OAHLLOKOSA-N 2 2 332.394 3.282 20 10 EGCDLP CC(C)[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715826799 1298289742 /nfs/dbraw/zinc/28/97/42/1298289742.db2.gz JJCRFHZIOPCEJQ-UHFFFAOYSA-N 2 2 345.256 3.256 20 10 EGCDLP C[C@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2c1c(F)ccc2O ZINC000756402660 1300484833 /nfs/dbraw/zinc/48/48/33/1300484833.db2.gz NOFMYBUXIGPQCK-SWLSCSKDSA-N 2 2 329.419 3.445 20 10 EGCDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000756457982 1300496456 /nfs/dbraw/zinc/49/64/56/1300496456.db2.gz INPMVENCYZJHQW-LBPRGKRZSA-N 2 2 338.249 3.482 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756505996 1300509824 /nfs/dbraw/zinc/50/98/24/1300509824.db2.gz ZJQGSLZVJWNXMR-ZJUUUORDSA-N 2 2 333.245 3.285 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(Cl)c3O)cc2)CC1 ZINC000895607370 1309426535 /nfs/dbraw/zinc/42/65/35/1309426535.db2.gz NZEPVKHGGUCVTM-UHFFFAOYSA-N 2 2 345.874 3.087 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1O ZINC000796764905 1310082978 /nfs/dbraw/zinc/08/29/78/1310082978.db2.gz UZVSNZRYTANTTJ-FUHWJXTLSA-N 2 2 336.451 3.215 20 10 EGCDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809749150 1317890728 /nfs/dbraw/zinc/89/07/28/1317890728.db2.gz CCFMIKDNVUCTHB-UHFFFAOYSA-N 2 2 348.491 3.359 20 10 EGCDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000809749150 1317890733 /nfs/dbraw/zinc/89/07/33/1317890733.db2.gz CCFMIKDNVUCTHB-UHFFFAOYSA-N 2 2 348.491 3.359 20 10 EGCDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000813878558 1318648537 /nfs/dbraw/zinc/64/85/37/1318648537.db2.gz PFBQWTHFABYNPJ-VHSXEESVSA-N 2 2 333.245 3.142 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938295 1319467040 /nfs/dbraw/zinc/46/70/40/1319467040.db2.gz IJRVEYUGQHCNOP-ACJLOTCBSA-N 2 2 328.416 3.011 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000817943584 1319471774 /nfs/dbraw/zinc/47/17/74/1319471774.db2.gz VQOZDBXZZFPWJC-WOJBJXKFSA-N 2 2 341.524 3.373 20 10 EGCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959450 1319477809 /nfs/dbraw/zinc/47/78/09/1319477809.db2.gz RKFMBKLBQWJQRX-CABCVRRESA-N 2 2 339.911 3.201 20 10 EGCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817975823 1319482706 /nfs/dbraw/zinc/48/27/06/1319482706.db2.gz CVAFPKAPGAIMDW-JENIJYKNSA-N 2 2 328.431 3.356 20 10 EGCDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975936 1319483856 /nfs/dbraw/zinc/48/38/56/1319483856.db2.gz ZZHMBZSTGMIENO-NQIIRXRSSA-N 2 2 345.531 3.486 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1O ZINC000817976568 1319484060 /nfs/dbraw/zinc/48/40/60/1319484060.db2.gz NUFVIWOQMOUTNW-NOZJJQNGSA-N 2 2 343.240 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817981791 1319485901 /nfs/dbraw/zinc/48/59/01/1319485901.db2.gz NSWQCZXNBYTRDP-ATZCPNFKSA-N 2 2 331.229 3.072 20 10 EGCDLP [NH3+]C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000841039154 1321206481 /nfs/dbraw/zinc/20/64/81/1321206481.db2.gz CODFWLYQAFCYSP-AWEZNQCLSA-N 2 2 327.266 3.152 20 10 EGCDLP CCCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841040363 1321206552 /nfs/dbraw/zinc/20/65/52/1321206552.db2.gz KYRZEUONKVUNLA-FQEVSTJZSA-N 2 2 327.472 3.331 20 10 EGCDLP CCCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841040364 1321206711 /nfs/dbraw/zinc/20/67/11/1321206711.db2.gz KYRZEUONKVUNLA-HXUWFJFHSA-N 2 2 327.472 3.331 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000841043548 1321208485 /nfs/dbraw/zinc/20/84/85/1321208485.db2.gz PGBLGFQXBWAPGJ-KRWDZBQOSA-N 2 2 348.288 3.305 20 10 EGCDLP COc1cccc2cc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000841046047 1321209503 /nfs/dbraw/zinc/20/95/03/1321209503.db2.gz VGBVRIROAHLIFL-SFHVURJKSA-N 2 2 339.439 3.297 20 10 EGCDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841746109 1321305403 /nfs/dbraw/zinc/30/54/03/1321305403.db2.gz CHNJHSOPGBNLRG-ZDUSSCGKSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1O ZINC000841757263 1321307749 /nfs/dbraw/zinc/30/77/49/1321307749.db2.gz CTJIEDPXNTWKJS-KBPBESRZSA-N 2 2 338.879 3.197 20 10 EGCDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862473423 1329489330 /nfs/dbraw/zinc/48/93/30/1329489330.db2.gz QCLSLMBSXOZUIP-GOSISDBHSA-N 2 2 326.440 3.155 20 10 EGCDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000862473423 1329489331 /nfs/dbraw/zinc/48/93/31/1329489331.db2.gz QCLSLMBSXOZUIP-GOSISDBHSA-N 2 2 326.440 3.155 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206012744 1370938167 /nfs/dbraw/zinc/93/81/67/1370938167.db2.gz NKVWVATVXJOOBL-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001204945795 1370612107 /nfs/dbraw/zinc/61/21/07/1370612107.db2.gz IUAGUEBFQOMCMM-HXUWFJFHSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001204945795 1370612112 /nfs/dbraw/zinc/61/21/12/1370612112.db2.gz IUAGUEBFQOMCMM-HXUWFJFHSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638302 1370823485 /nfs/dbraw/zinc/82/34/85/1370823485.db2.gz MBMVVIJJOUQTRQ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638302 1370823492 /nfs/dbraw/zinc/82/34/92/1370823492.db2.gz MBMVVIJJOUQTRQ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CCC[C@H]1C[NH3+] ZINC001206012744 1370938165 /nfs/dbraw/zinc/93/81/65/1370938165.db2.gz NKVWVATVXJOOBL-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP Oc1ccc(Br)cc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222293248 1373826305 /nfs/dbraw/zinc/82/63/05/1373826305.db2.gz ROWDCWCEFIFOBO-UHFFFAOYSA-N 2 2 339.277 3.263 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001137832629 1377624390 /nfs/dbraw/zinc/62/43/90/1377624390.db2.gz BQHQTNLCEVJEBD-KBPBESRZSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140338777 1378048564 /nfs/dbraw/zinc/04/85/64/1378048564.db2.gz PEJXSPBXVSENNM-HZPDHXFCSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000190792919 455383361 /nfs/dbraw/zinc/38/33/61/455383361.db2.gz MTMGBHJYCACHRC-UHFFFAOYSA-N 2 2 349.837 3.334 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000190792919 455383367 /nfs/dbraw/zinc/38/33/67/455383367.db2.gz MTMGBHJYCACHRC-UHFFFAOYSA-N 2 2 349.837 3.334 20 10 EGCDLP CCCN(Cc1[nH+]ccn1CC(F)(F)F)c1ccc(C[NH3+])cc1 ZINC000194980178 455909376 /nfs/dbraw/zinc/90/93/76/455909376.db2.gz GVKXYOSHMWCQIO-UHFFFAOYSA-N 2 2 326.366 3.321 20 10 EGCDLP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1O ZINC000287581164 456072046 /nfs/dbraw/zinc/07/20/46/456072046.db2.gz HLAVBVCEOGWIBS-KRWDZBQOSA-N 2 2 339.911 3.112 20 10 EGCDLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287584191 456072686 /nfs/dbraw/zinc/07/26/86/456072686.db2.gz HQLTZHGYSCLIMG-BBRMVZONSA-N 2 2 328.884 3.443 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093692668 1292930578 /nfs/dbraw/zinc/93/05/78/1292930578.db2.gz TYIGDYUGOSPSRR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093692668 1292930586 /nfs/dbraw/zinc/93/05/86/1292930586.db2.gz TYIGDYUGOSPSRR-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121215068 1293360712 /nfs/dbraw/zinc/36/07/12/1293360712.db2.gz NQEHEPJTOURZCY-QGZVFWFLSA-N 2 2 342.439 3.444 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000121215068 1293360720 /nfs/dbraw/zinc/36/07/20/1293360720.db2.gz NQEHEPJTOURZCY-QGZVFWFLSA-N 2 2 342.439 3.444 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756362585 1300475545 /nfs/dbraw/zinc/47/55/45/1300475545.db2.gz JZSFNGUQZZICPL-CABCVRRESA-N 2 2 334.460 3.094 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756362585 1300475549 /nfs/dbraw/zinc/47/55/49/1300475549.db2.gz JZSFNGUQZZICPL-CABCVRRESA-N 2 2 334.460 3.094 20 10 EGCDLP CC(C)C[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858095406 1328681226 /nfs/dbraw/zinc/68/12/26/1328681226.db2.gz SWAGYAWASZEKIN-UHFFFAOYSA-N 2 2 341.293 3.365 20 10 EGCDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767939 1317895580 /nfs/dbraw/zinc/89/55/80/1317895580.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767939 1317895588 /nfs/dbraw/zinc/89/55/88/1317895588.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767939 1317895595 /nfs/dbraw/zinc/89/55/95/1317895595.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767939 1317895576 /nfs/dbraw/zinc/89/55/76/1317895576.db2.gz YMERPCAUQJPQOP-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938085 1319466082 /nfs/dbraw/zinc/46/60/82/1319466082.db2.gz DCEIKTPFCKXGDM-KSSFIOAISA-N 2 2 342.443 3.320 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938699 1319467183 /nfs/dbraw/zinc/46/71/83/1319467183.db2.gz QIRLBJVNXZNCHU-KUHUBIRLSA-N 2 2 325.456 3.038 20 10 EGCDLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817941365 1319470059 /nfs/dbraw/zinc/47/00/59/1319470059.db2.gz JMESZQMERRKEHE-VBKZILBWSA-N 2 2 340.471 3.062 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000817943551 1319471024 /nfs/dbraw/zinc/47/10/24/1319471024.db2.gz VJQVRKTVBZERCF-MOPGFXCFSA-N 2 2 325.456 3.125 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000817952773 1319474817 /nfs/dbraw/zinc/47/48/17/1319474817.db2.gz MHSUPTKWGLNDIZ-GFCCVEGCSA-N 2 2 332.835 3.023 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)c(F)cc1O ZINC000817960620 1319477735 /nfs/dbraw/zinc/47/77/35/1319477735.db2.gz OLFLWQBBERXISA-BHDSKKPTSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1O ZINC000817981645 1319485888 /nfs/dbraw/zinc/48/58/88/1319485888.db2.gz MFBCAQAFTXKOCQ-QMTHXVAHSA-N 2 2 327.266 3.323 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000841043891 1321208515 /nfs/dbraw/zinc/20/85/15/1321208515.db2.gz RGJZWBFOCCPCIC-MRXNPFEDSA-N 2 2 332.517 3.296 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000841046179 1321209357 /nfs/dbraw/zinc/20/93/57/1321209357.db2.gz XLEWGNSMMOBXLA-LJQANCHMSA-N 2 2 339.483 3.256 20 10 EGCDLP CC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051945 1321462105 /nfs/dbraw/zinc/46/21/05/1321462105.db2.gz JDXSOUNFYQQZQU-FZMZJTMJSA-N 2 2 327.266 3.022 20 10 EGCDLP CC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051945 1321462107 /nfs/dbraw/zinc/46/21/07/1321462107.db2.gz JDXSOUNFYQQZQU-FZMZJTMJSA-N 2 2 327.266 3.022 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000854223068 1325230215 /nfs/dbraw/zinc/23/02/15/1325230215.db2.gz CCVRVVKNAUAVJI-BOFPYLFWSA-N 2 2 344.430 3.336 20 10 EGCDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001204931316 1370608700 /nfs/dbraw/zinc/60/87/00/1370608700.db2.gz ABWIBBJOECQKPR-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001204931316 1370608702 /nfs/dbraw/zinc/60/87/02/1370608702.db2.gz ABWIBBJOECQKPR-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1[NH3+] ZINC001205888976 1370901738 /nfs/dbraw/zinc/90/17/38/1370901738.db2.gz MJNRUPIHAWMXDR-BEFAXECRSA-N 2 2 326.440 3.140 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@@H]1[NH3+] ZINC001205888976 1370901741 /nfs/dbraw/zinc/90/17/41/1370901741.db2.gz MJNRUPIHAWMXDR-BEFAXECRSA-N 2 2 326.440 3.140 20 10 EGCDLP Oc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001233451536 1376649163 /nfs/dbraw/zinc/64/91/63/1376649163.db2.gz OJRROUAALPXOOD-UHFFFAOYSA-N 2 2 328.378 3.471 20 10 EGCDLP C[N@H+](C1CC1)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233768604 1376711779 /nfs/dbraw/zinc/71/17/79/1376711779.db2.gz WGMLCUILWKGDQV-UHFFFAOYSA-N 2 2 344.377 3.349 20 10 EGCDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233768604 1376711790 /nfs/dbraw/zinc/71/17/90/1376711790.db2.gz WGMLCUILWKGDQV-UHFFFAOYSA-N 2 2 344.377 3.349 20 10 EGCDLP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)C[NH+]1CCOCC1 ZINC000185505036 455569983 /nfs/dbraw/zinc/56/99/83/455569983.db2.gz YLQUIWSEUOXPPF-HOTGVXAUSA-N 2 2 328.456 3.164 20 10 EGCDLP Cc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1O ZINC000271807331 455767661 /nfs/dbraw/zinc/76/76/61/455767661.db2.gz KDFXLJPXNRDVKG-UHFFFAOYSA-N 2 2 340.471 3.238 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1O ZINC000375754414 458050208 /nfs/dbraw/zinc/05/02/08/458050208.db2.gz CTNUYRFGUHAELE-XYPWUTKMSA-N 2 2 336.863 3.305 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000375754414 458050210 /nfs/dbraw/zinc/05/02/10/458050210.db2.gz CTNUYRFGUHAELE-XYPWUTKMSA-N 2 2 336.863 3.305 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951390 1292411652 /nfs/dbraw/zinc/41/16/52/1292411652.db2.gz YMOGAGMMUMYHNM-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827951390 1292411659 /nfs/dbraw/zinc/41/16/59/1292411659.db2.gz YMOGAGMMUMYHNM-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000152104127 1293953513 /nfs/dbraw/zinc/95/35/13/1293953513.db2.gz UTWRKEFJZQPPJQ-UHFFFAOYSA-N 2 2 329.444 3.429 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715778772 1298285830 /nfs/dbraw/zinc/28/58/30/1298285830.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 2 2 343.240 3.010 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715778772 1298285840 /nfs/dbraw/zinc/28/58/40/1298285840.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 2 2 343.240 3.010 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1O ZINC000761206300 1301419461 /nfs/dbraw/zinc/41/94/61/1301419461.db2.gz VNWKTWWFCIBUFR-CQSZACIVSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1O ZINC000761206300 1301419466 /nfs/dbraw/zinc/41/94/66/1301419466.db2.gz VNWKTWWFCIBUFR-CQSZACIVSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000761206300 1301419468 /nfs/dbraw/zinc/41/94/68/1301419468.db2.gz VNWKTWWFCIBUFR-CQSZACIVSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000761206300 1301419474 /nfs/dbraw/zinc/41/94/74/1301419474.db2.gz VNWKTWWFCIBUFR-CQSZACIVSA-N 2 2 338.879 3.218 20 10 EGCDLP CCc1cnc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775727121 1304022724 /nfs/dbraw/zinc/02/27/24/1304022724.db2.gz JMDSJLBNXCNPQL-UHFFFAOYSA-N 2 2 344.528 3.089 20 10 EGCDLP CCc1cnc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000775727121 1304022730 /nfs/dbraw/zinc/02/27/30/1304022730.db2.gz JMDSJLBNXCNPQL-UHFFFAOYSA-N 2 2 344.528 3.089 20 10 EGCDLP Oc1c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549296 1319180239 /nfs/dbraw/zinc/18/02/39/1319180239.db2.gz JRKGTRZCQNASDJ-IBGZPJMESA-N 2 2 340.467 3.278 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000817941007 1319468079 /nfs/dbraw/zinc/46/80/79/1319468079.db2.gz IGTIIVFBSAJPAQ-FBBABVLZSA-N 2 2 338.499 3.463 20 10 EGCDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962384 1319477703 /nfs/dbraw/zinc/47/77/03/1319477703.db2.gz IYDULDZULBHKNO-LSDHHAIUSA-N 2 2 339.911 3.345 20 10 EGCDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974191 1319482688 /nfs/dbraw/zinc/48/26/88/1319482688.db2.gz JCGGCTABIWYECL-UZLBHIALSA-N 2 2 349.494 3.235 20 10 EGCDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972985 1319482798 /nfs/dbraw/zinc/48/27/98/1319482798.db2.gz AQSAQSRGFQCLSG-FXAWDEMLSA-N 2 2 331.504 3.096 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855920 1320291668 /nfs/dbraw/zinc/29/16/68/1320291668.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855920 1320291672 /nfs/dbraw/zinc/29/16/72/1320291672.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855920 1320291676 /nfs/dbraw/zinc/29/16/76/1320291676.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2O)C[C@H]1C ZINC000824855920 1320291682 /nfs/dbraw/zinc/29/16/82/1320291682.db2.gz SAIHTHCMAALNQU-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841045447 1321208331 /nfs/dbraw/zinc/20/83/31/1321208331.db2.gz KZDJTPNELHETLR-IEBWSBKVSA-N 2 2 329.875 3.163 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000841045727 1321208686 /nfs/dbraw/zinc/20/86/86/1321208686.db2.gz OYCKXHHTXGLGQN-IBGZPJMESA-N 2 2 331.504 3.081 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001206325272 1371023034 /nfs/dbraw/zinc/02/30/34/1371023034.db2.gz GXZYRUVNXKTUCX-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001206325272 1371023039 /nfs/dbraw/zinc/02/30/39/1371023039.db2.gz GXZYRUVNXKTUCX-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP C[N@@H+](Cc1c(O)cccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137839080 1377626883 /nfs/dbraw/zinc/62/68/83/1377626883.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 2 2 328.431 3.485 20 10 EGCDLP C[N@H+](Cc1c(O)cccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001137839080 1377626884 /nfs/dbraw/zinc/62/68/84/1377626884.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 2 2 328.431 3.485 20 10 EGCDLP C[NH+](Cc1c(O)cccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001137839080 1377626885 /nfs/dbraw/zinc/62/68/85/1377626885.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 2 2 328.431 3.485 20 10 EGCDLP C[NH+](Cc1c(O)cccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001137839080 1377626886 /nfs/dbraw/zinc/62/68/86/1377626886.db2.gz QMADFJCZAQGITO-KRWDZBQOSA-N 2 2 328.431 3.485 20 10 EGCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129447 1377683021 /nfs/dbraw/zinc/68/30/21/1377683021.db2.gz DGXJGYUPTYFSRL-PKOBYXMFSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129447 1377683023 /nfs/dbraw/zinc/68/30/23/1377683023.db2.gz DGXJGYUPTYFSRL-PKOBYXMFSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138129447 1377683026 /nfs/dbraw/zinc/68/30/26/1377683026.db2.gz DGXJGYUPTYFSRL-PKOBYXMFSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138129447 1377683028 /nfs/dbraw/zinc/68/30/28/1377683028.db2.gz DGXJGYUPTYFSRL-PKOBYXMFSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140339079 1378048927 /nfs/dbraw/zinc/04/89/27/1378048927.db2.gz FAJKKESMYLILHC-HUUCEWRRSA-N 2 2 343.858 3.004 20 10 EGCDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192722193 455677841 /nfs/dbraw/zinc/67/78/41/455677841.db2.gz KDVZJDOGYKNXAQ-NSHDSACASA-N 2 2 347.286 3.196 20 10 EGCDLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000020506225 453666547 /nfs/dbraw/zinc/66/65/47/453666547.db2.gz KCXQXVFAYJNCCF-CQSZACIVSA-N 2 2 338.249 3.482 20 10 EGCDLP Cc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000273497398 456235085 /nfs/dbraw/zinc/23/50/85/456235085.db2.gz PMADAZOXZGQLOK-RDJZCZTQSA-N 2 2 340.471 3.409 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@H+](C)CCCn3cc[nH+]c3)c2c1 ZINC000130587057 1293662232 /nfs/dbraw/zinc/66/22/32/1293662232.db2.gz PAORNSWHBGSKOM-UHFFFAOYSA-N 2 2 325.412 3.273 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@@H+](C)CCCn3cc[nH+]c3)c2c1 ZINC000130587057 1293662236 /nfs/dbraw/zinc/66/22/36/1293662236.db2.gz PAORNSWHBGSKOM-UHFFFAOYSA-N 2 2 325.412 3.273 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708494291 1298239009 /nfs/dbraw/zinc/23/90/09/1298239009.db2.gz FAIWEIOHQGTXMX-HNNXBMFYSA-N 2 2 332.394 3.282 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708494291 1298239017 /nfs/dbraw/zinc/23/90/17/1298239017.db2.gz FAIWEIOHQGTXMX-HNNXBMFYSA-N 2 2 332.394 3.282 20 10 EGCDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715830094 1298289392 /nfs/dbraw/zinc/28/93/92/1298289392.db2.gz WTDDRPGRXFZAOV-LLVKDONJSA-N 2 2 345.256 3.114 20 10 EGCDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715830094 1298289404 /nfs/dbraw/zinc/28/94/04/1298289404.db2.gz WTDDRPGRXFZAOV-LLVKDONJSA-N 2 2 345.256 3.114 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3[nH+]ccc4c(N)cccc43)cc2)CC1 ZINC000882879688 1302144394 /nfs/dbraw/zinc/14/43/94/1302144394.db2.gz HVQGSHIZHHCPLG-UHFFFAOYSA-N 2 2 347.466 3.181 20 10 EGCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889233 1302158961 /nfs/dbraw/zinc/15/89/61/1302158961.db2.gz KNAZBIOYJHXAMN-CABCVRRESA-N 2 2 348.878 3.112 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3Cl)cc2)CC1 ZINC000883283348 1302359401 /nfs/dbraw/zinc/35/94/01/1302359401.db2.gz BMMGEPLUTPKBKX-UHFFFAOYSA-N 2 2 345.874 3.087 20 10 EGCDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1c(O)cccc1F ZINC000886493456 1303475852 /nfs/dbraw/zinc/47/58/52/1303475852.db2.gz MPHKLGKELAGOLO-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775725750 1304022113 /nfs/dbraw/zinc/02/21/13/1304022113.db2.gz MSWFRRIPIWILFF-HNNXBMFYSA-N 2 2 344.858 3.117 20 10 EGCDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775725750 1304022116 /nfs/dbraw/zinc/02/21/16/1304022116.db2.gz MSWFRRIPIWILFF-HNNXBMFYSA-N 2 2 344.858 3.117 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1O ZINC000779061230 1304523761 /nfs/dbraw/zinc/52/37/61/1304523761.db2.gz KEPKVWBKHVZPPI-ZYHUDNBSSA-N 2 2 336.233 3.017 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)on3)cc2F)CC1 ZINC000788595483 1305976621 /nfs/dbraw/zinc/97/66/21/1305976621.db2.gz UMAQAIUXMQJILF-OAHLLOKOSA-N 2 2 346.450 3.115 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938083 1319466954 /nfs/dbraw/zinc/46/69/54/1319466954.db2.gz DCEIKTPFCKXGDM-KBXCAEBGSA-N 2 2 342.443 3.320 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939971 1319469238 /nfs/dbraw/zinc/46/92/38/1319469238.db2.gz DOOWOVMHZDCFKK-BEFAXECRSA-N 2 2 327.472 3.426 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000817941017 1319470086 /nfs/dbraw/zinc/47/00/86/1319470086.db2.gz IGTIIVFBSAJPAQ-YFVAEKQCSA-N 2 2 338.499 3.463 20 10 EGCDLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941403 1319470251 /nfs/dbraw/zinc/47/02/51/1319470251.db2.gz JREPORAIAJJEFE-CEXWTWQISA-N 2 2 331.504 3.080 20 10 EGCDLP COc1ncc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944084 1319472070 /nfs/dbraw/zinc/47/20/70/1319472070.db2.gz XGDDANOYEQRGQG-YVEFUNNKSA-N 2 2 348.878 3.160 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817970328 1319481034 /nfs/dbraw/zinc/48/10/34/1319481034.db2.gz RKGLKSMXGXHXOL-LSJOCFKGSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1O ZINC000817981647 1319485797 /nfs/dbraw/zinc/48/57/97/1319485797.db2.gz MFBCAQAFTXKOCQ-YGRLFVJLSA-N 2 2 327.266 3.323 20 10 EGCDLP Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364385 1321506675 /nfs/dbraw/zinc/50/66/75/1321506675.db2.gz GRDUQDBVVBXSTJ-SJLPKXTDSA-N 2 2 339.483 3.254 20 10 EGCDLP Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364385 1321506679 /nfs/dbraw/zinc/50/66/79/1321506679.db2.gz GRDUQDBVVBXSTJ-SJLPKXTDSA-N 2 2 339.483 3.254 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000848568316 1321977717 /nfs/dbraw/zinc/97/77/17/1321977717.db2.gz FNTRXCAYSYVDEV-RTWAWAEBSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000848568316 1321977722 /nfs/dbraw/zinc/97/77/22/1321977722.db2.gz FNTRXCAYSYVDEV-RTWAWAEBSA-N 2 2 343.515 3.271 20 10 EGCDLP COC1CC[NH+](C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC001203664349 1370207429 /nfs/dbraw/zinc/20/74/29/1370207429.db2.gz AIWBOIBLBZFEBI-UHFFFAOYSA-N 2 2 338.879 3.121 20 10 EGCDLP CCC[N@H+](Cc1c(O)cccc1Br)C1CC[NH2+]CC1 ZINC001236183116 1376940616 /nfs/dbraw/zinc/94/06/16/1376940616.db2.gz UARJAEUGXMEFOW-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP CCC[N@@H+](Cc1c(O)cccc1Br)C1CC[NH2+]CC1 ZINC001236183116 1376940621 /nfs/dbraw/zinc/94/06/21/1376940621.db2.gz UARJAEUGXMEFOW-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)c(C)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323986 1376948839 /nfs/dbraw/zinc/94/88/39/1376948839.db2.gz MNKUOOABTLGABP-ZDUSSCGKSA-N 2 2 327.266 3.037 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)c(C)cc1O)[C@H]1CC[NH2+]C1 ZINC001236323986 1376948845 /nfs/dbraw/zinc/94/88/45/1376948845.db2.gz MNKUOOABTLGABP-ZDUSSCGKSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467628 1378069191 /nfs/dbraw/zinc/06/91/91/1378069191.db2.gz STEUPXPHSSGXDG-UHFFFAOYSA-N 2 2 331.847 3.488 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2F)CC1 ZINC001327856521 1388606925 /nfs/dbraw/zinc/60/69/25/1388606925.db2.gz SUHXGEMTGTUVFM-UHFFFAOYSA-N 2 2 339.418 3.066 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000185053772 455493326 /nfs/dbraw/zinc/49/33/26/455493326.db2.gz XDWUGWGOWUJYNZ-OAHLLOKOSA-N 2 2 341.455 3.111 20 10 EGCDLP COc1ccc(O)c(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237360824 455177155 /nfs/dbraw/zinc/17/71/55/455177155.db2.gz AFFVFAGWBKYUAN-IBGZPJMESA-N 2 2 326.440 3.328 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC000185069167 455495699 /nfs/dbraw/zinc/49/56/99/455495699.db2.gz GXTAHPZYOLLYHW-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192722205 455678610 /nfs/dbraw/zinc/67/86/10/455678610.db2.gz KDVZJDOGYKNXAQ-LLVKDONJSA-N 2 2 347.286 3.196 20 10 EGCDLP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000287769995 456077400 /nfs/dbraw/zinc/07/74/00/456077400.db2.gz RLFZRIGHWLUYBZ-QGZVFWFLSA-N 2 2 339.911 3.114 20 10 EGCDLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000273437541 456230390 /nfs/dbraw/zinc/23/03/90/456230390.db2.gz XMCFAMHEJPCPDJ-LLVKDONJSA-N 2 2 327.266 3.290 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1O ZINC000273480066 456232878 /nfs/dbraw/zinc/23/28/78/456232878.db2.gz LVLFOCFTUUSPHC-XZOAIXRZSA-N 2 2 338.879 3.074 20 10 EGCDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1O ZINC000367520435 457961218 /nfs/dbraw/zinc/96/12/18/457961218.db2.gz WOHGUKUHFCKWNA-INIZCTEOSA-N 2 2 326.375 3.353 20 10 EGCDLP Cc1cc(N2CC[NH+](Cc3cccc(C)c3O)CC2)nc(C(C)C)[nH+]1 ZINC000179622798 1294808135 /nfs/dbraw/zinc/80/81/35/1294808135.db2.gz LDFLZBCLJUWUPC-UHFFFAOYSA-N 2 2 340.471 3.245 20 10 EGCDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715719835 1298283835 /nfs/dbraw/zinc/28/38/35/1298283835.db2.gz VEGKXBGNYCJMGC-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715719835 1298283840 /nfs/dbraw/zinc/28/38/40/1298283840.db2.gz VEGKXBGNYCJMGC-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756546896 1300519080 /nfs/dbraw/zinc/51/90/80/1300519080.db2.gz UQOZRJHNZNKPPI-SNVBAGLBSA-N 2 2 345.256 3.286 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1O ZINC000761206298 1301419981 /nfs/dbraw/zinc/41/99/81/1301419981.db2.gz VNWKTWWFCIBUFR-AWEZNQCLSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1O ZINC000761206298 1301419988 /nfs/dbraw/zinc/41/99/88/1301419988.db2.gz VNWKTWWFCIBUFR-AWEZNQCLSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1O ZINC000761206298 1301419993 /nfs/dbraw/zinc/41/99/93/1301419993.db2.gz VNWKTWWFCIBUFR-AWEZNQCLSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1O ZINC000761206298 1301419999 /nfs/dbraw/zinc/41/99/99/1301419999.db2.gz VNWKTWWFCIBUFR-AWEZNQCLSA-N 2 2 338.879 3.218 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C(C)C)C3CC3)CC2)cc1 ZINC000764682979 1302117577 /nfs/dbraw/zinc/11/75/77/1302117577.db2.gz JRKJPQFQFWBWRG-NRFANRHFSA-N 2 2 345.531 3.232 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)(C)C)CC2)cc1 ZINC000764686210 1302117922 /nfs/dbraw/zinc/11/79/22/1302117922.db2.gz ZXUMTNILAAXEMS-KRWDZBQOSA-N 2 2 333.520 3.232 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)c(F)cc1O ZINC000817976425 1319484306 /nfs/dbraw/zinc/48/43/06/1319484306.db2.gz LVGVYLPAHYXWQZ-VHSXEESVSA-N 2 2 333.245 3.462 20 10 EGCDLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937977 1319464840 /nfs/dbraw/zinc/46/48/40/1319464840.db2.gz AVJBJCYIEPTHSZ-HNAYVOBHSA-N 2 2 327.472 3.420 20 10 EGCDLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817938507 1319466060 /nfs/dbraw/zinc/46/60/60/1319466060.db2.gz LTUUGVUOVJDPOW-RTWAWAEBSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938697 1319467249 /nfs/dbraw/zinc/46/72/49/1319467249.db2.gz QIRLBJVNXZNCHU-AUUYWEPGSA-N 2 2 325.456 3.038 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817943553 1319469799 /nfs/dbraw/zinc/46/97/99/1319469799.db2.gz VJQVRKTVBZERCF-RBUKOAKNSA-N 2 2 325.456 3.125 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000817972201 1319482452 /nfs/dbraw/zinc/48/24/52/1319482452.db2.gz VDHABPBGGRXHBW-OPRDCNLKSA-N 2 2 331.229 3.085 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855922 1320291564 /nfs/dbraw/zinc/29/15/64/1320291564.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855922 1320291568 /nfs/dbraw/zinc/29/15/68/1320291568.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855922 1320291570 /nfs/dbraw/zinc/29/15/70/1320291570.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855922 1320291576 /nfs/dbraw/zinc/29/15/76/1320291576.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP Oc1c(Cl)cccc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000827011485 1320420930 /nfs/dbraw/zinc/42/09/30/1320420930.db2.gz JNQQDYCMDRWATP-UHFFFAOYSA-N 2 2 345.874 3.442 20 10 EGCDLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841041573 1321207954 /nfs/dbraw/zinc/20/79/54/1321207954.db2.gz DYGZNLWJUGSIKV-FQEVSTJZSA-N 2 2 349.482 3.241 20 10 EGCDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841064561 1321211767 /nfs/dbraw/zinc/21/17/67/1321211767.db2.gz YONRTFOWYAUIFF-KXBFYZLASA-N 2 2 326.440 3.201 20 10 EGCDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841086397 1321215904 /nfs/dbraw/zinc/21/59/04/1321215904.db2.gz AEEFADODQWYIJY-QGZVFWFLSA-N 2 2 334.464 3.048 20 10 EGCDLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841085520 1321215989 /nfs/dbraw/zinc/21/59/89/1321215989.db2.gz FXZHCRULGODIQU-LJQANCHMSA-N 2 2 326.440 3.201 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044563 1321460749 /nfs/dbraw/zinc/46/07/49/1321460749.db2.gz JGPOVXPTOOMFHY-QGZVFWFLSA-N 2 2 346.475 3.017 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000843044563 1321460751 /nfs/dbraw/zinc/46/07/51/1321460751.db2.gz JGPOVXPTOOMFHY-QGZVFWFLSA-N 2 2 346.475 3.017 20 10 EGCDLP CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051952 1321462240 /nfs/dbraw/zinc/46/22/40/1321462240.db2.gz JDXSOUNFYQQZQU-RISCZKNCSA-N 2 2 327.266 3.022 20 10 EGCDLP CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CC[C@@H]1[NH3+] ZINC000843051952 1321462243 /nfs/dbraw/zinc/46/22/43/1321462243.db2.gz JDXSOUNFYQQZQU-RISCZKNCSA-N 2 2 327.266 3.022 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3cc(C4CC4)cc[nH+]3)cc2F)CC1 ZINC001324650679 1387717966 /nfs/dbraw/zinc/71/79/66/1387717966.db2.gz VOXLLZPFMNHPOP-UHFFFAOYSA-N 2 2 340.446 3.462 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001206026322 1370942165 /nfs/dbraw/zinc/94/21/65/1370942165.db2.gz RWFOAFSPDDENSJ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001206026322 1370942166 /nfs/dbraw/zinc/94/21/66/1370942166.db2.gz RWFOAFSPDDENSJ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674241 1377931564 /nfs/dbraw/zinc/93/15/64/1377931564.db2.gz QTJYQTFNIYBZBQ-SFHVURJKSA-N 2 2 325.456 3.418 20 10 EGCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674241 1377931567 /nfs/dbraw/zinc/93/15/67/1377931567.db2.gz QTJYQTFNIYBZBQ-SFHVURJKSA-N 2 2 325.456 3.418 20 10 EGCDLP Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140467505 1378068983 /nfs/dbraw/zinc/06/89/83/1378068983.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140467505 1378068984 /nfs/dbraw/zinc/06/89/84/1378068984.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140467505 1378068985 /nfs/dbraw/zinc/06/89/85/1378068985.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1cc(Cl)ccc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140467505 1378068987 /nfs/dbraw/zinc/06/89/87/1378068987.db2.gz RTUMPGKSWFBWEK-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP CCCc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C)[nH+]1 ZINC001156657252 1380606003 /nfs/dbraw/zinc/60/60/03/1380606003.db2.gz JRSMSFFFVPXGGC-UHFFFAOYSA-N 2 2 339.487 3.101 20 10 EGCDLP CN1CCCc2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000126661664 454909927 /nfs/dbraw/zinc/90/99/27/454909927.db2.gz DRGPHULFQJBGGC-UHFFFAOYSA-N 2 2 336.483 3.223 20 10 EGCDLP Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027374 455544127 /nfs/dbraw/zinc/54/41/27/455544127.db2.gz PCKXPAJXASWHJF-HXUWFJFHSA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027374 455544133 /nfs/dbraw/zinc/54/41/33/455544133.db2.gz PCKXPAJXASWHJF-HXUWFJFHSA-N 2 2 340.467 3.081 20 10 EGCDLP Oc1cccc2c1[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000296189337 455875567 /nfs/dbraw/zinc/87/55/67/455875567.db2.gz YLQJRVPOAAOJJZ-LJQANCHMSA-N 2 2 338.451 3.002 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000273568600 456239480 /nfs/dbraw/zinc/23/94/80/456239480.db2.gz KDDHDPCBCSBKDQ-CQSZACIVSA-N 2 2 343.427 3.117 20 10 EGCDLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273594159 456240778 /nfs/dbraw/zinc/24/07/78/456240778.db2.gz QBIPYVDTYPDZGS-AWEZNQCLSA-N 2 2 334.460 3.094 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000037267117 522808860 /nfs/dbraw/zinc/80/88/60/522808860.db2.gz BNFPSOPGOOMNSY-CQSZACIVSA-N 2 2 327.266 3.290 20 10 EGCDLP CC[NH+](CC)CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000757945382 574969168 /nfs/dbraw/zinc/96/91/68/574969168.db2.gz GRSJLDSKRNXWST-UHFFFAOYSA-N 2 2 335.275 3.147 20 10 EGCDLP CCC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC[NH2+]CC1 ZINC000843044541 1321460321 /nfs/dbraw/zinc/46/03/21/1321460321.db2.gz HJYOTJLVMONJSW-UHFFFAOYSA-N 2 2 341.293 3.427 20 10 EGCDLP CCC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC[NH2+]CC1 ZINC000843044541 1321460326 /nfs/dbraw/zinc/46/03/26/1321460326.db2.gz HJYOTJLVMONJSW-UHFFFAOYSA-N 2 2 341.293 3.427 20 10 EGCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093275 1294126812 /nfs/dbraw/zinc/12/68/12/1294126812.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093275 1294126816 /nfs/dbraw/zinc/12/68/16/1294126816.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093275 1294126818 /nfs/dbraw/zinc/12/68/18/1294126818.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3O)CC[C@@H]21 ZINC000156093275 1294126822 /nfs/dbraw/zinc/12/68/22/1294126822.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756362587 1300475754 /nfs/dbraw/zinc/47/57/54/1300475754.db2.gz JZSFNGUQZZICPL-GJZGRUSLSA-N 2 2 334.460 3.094 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000756362587 1300475756 /nfs/dbraw/zinc/47/57/56/1300475756.db2.gz JZSFNGUQZZICPL-GJZGRUSLSA-N 2 2 334.460 3.094 20 10 EGCDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756505992 1300509181 /nfs/dbraw/zinc/50/91/81/1300509181.db2.gz ZJQGSLZVJWNXMR-UWVGGRQHSA-N 2 2 333.245 3.285 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571797 1300523946 /nfs/dbraw/zinc/52/39/46/1300523946.db2.gz FOIRYDHZTIYTLP-XJKSGUPXSA-N 2 2 338.879 3.340 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000756683957 1300547589 /nfs/dbraw/zinc/54/75/89/1300547589.db2.gz IHGVTYPETQCTRL-ZDUSSCGKSA-N 2 2 334.460 3.092 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000756683954 1300547837 /nfs/dbraw/zinc/54/78/37/1300547837.db2.gz IHGVTYPETQCTRL-CYBMUJFWSA-N 2 2 334.460 3.092 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470312 1303119790 /nfs/dbraw/zinc/11/97/90/1303119790.db2.gz LIRWDWMAHVITFF-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470312 1303119793 /nfs/dbraw/zinc/11/97/93/1303119793.db2.gz LIRWDWMAHVITFF-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470312 1303119795 /nfs/dbraw/zinc/11/97/95/1303119795.db2.gz LIRWDWMAHVITFF-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769470312 1303119798 /nfs/dbraw/zinc/11/97/98/1303119798.db2.gz LIRWDWMAHVITFF-DOMZBBRYSA-N 2 2 341.293 3.459 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)[C@H](C)C1 ZINC000886528086 1303488268 /nfs/dbraw/zinc/48/82/68/1303488268.db2.gz GSLJGJCTBKMUOF-VYDXJSESSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)[C@H](C)C1 ZINC000886528086 1303488275 /nfs/dbraw/zinc/48/82/75/1303488275.db2.gz GSLJGJCTBKMUOF-VYDXJSESSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOc1ccc(O)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000896198510 1309740199 /nfs/dbraw/zinc/74/01/99/1309740199.db2.gz PUTSOQHMFAPPIU-UHFFFAOYSA-N 2 2 327.428 3.262 20 10 EGCDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000824602046 1320268324 /nfs/dbraw/zinc/26/83/24/1320268324.db2.gz QGNCHQZSWHFWBP-UHFFFAOYSA-N 2 2 341.293 3.461 20 10 EGCDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000824602046 1320268328 /nfs/dbraw/zinc/26/83/28/1320268328.db2.gz QGNCHQZSWHFWBP-UHFFFAOYSA-N 2 2 341.293 3.461 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766255 1317895766 /nfs/dbraw/zinc/89/57/66/1317895766.db2.gz WJHHDMKEXIRWEN-DOMZBBRYSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766255 1317895774 /nfs/dbraw/zinc/89/57/74/1317895774.db2.gz WJHHDMKEXIRWEN-DOMZBBRYSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766255 1317895761 /nfs/dbraw/zinc/89/57/61/1317895761.db2.gz WJHHDMKEXIRWEN-DOMZBBRYSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766255 1317895782 /nfs/dbraw/zinc/89/57/82/1317895782.db2.gz WJHHDMKEXIRWEN-DOMZBBRYSA-N 2 2 341.293 3.235 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938025 1319467076 /nfs/dbraw/zinc/46/70/76/1319467076.db2.gz BRNPMBVXZCQYNB-IFXJQAMLSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@H]1CCC[NH2+]C1 ZINC000817946819 1319472182 /nfs/dbraw/zinc/47/21/82/1319472182.db2.gz FKBNUDKASGFOGM-VWYCJHECSA-N 2 2 345.256 3.333 20 10 EGCDLP Cc1cc(Cl)cc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1O ZINC000817954350 1319474484 /nfs/dbraw/zinc/47/44/84/1319474484.db2.gz YNZKKFHAVRFQOY-CYBMUJFWSA-N 2 2 346.862 3.332 20 10 EGCDLP Cc1cc(Cl)cc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1O ZINC000817954355 1319475499 /nfs/dbraw/zinc/47/54/99/1319475499.db2.gz YNZKKFHAVRFQOY-ZDUSSCGKSA-N 2 2 346.862 3.332 20 10 EGCDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962381 1319478606 /nfs/dbraw/zinc/47/86/06/1319478606.db2.gz IYDULDZULBHKNO-CABCVRRESA-N 2 2 339.911 3.345 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817969511 1319480880 /nfs/dbraw/zinc/48/08/80/1319480880.db2.gz VRZHQLDIFZVWPV-ZJUUUORDSA-N 2 2 331.229 3.087 20 10 EGCDLP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1O ZINC000817980621 1319484219 /nfs/dbraw/zinc/48/42/19/1319484219.db2.gz LVOVGADQAUHTLE-QWRGUYRKSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817976423 1319484277 /nfs/dbraw/zinc/48/42/77/1319484277.db2.gz LVGVYLPAHYXWQZ-NXEZZACHSA-N 2 2 333.245 3.462 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841041376 1321207518 /nfs/dbraw/zinc/20/75/18/1321207518.db2.gz HOSGXVCMUCJAMC-SQWLQELKSA-N 2 2 329.410 3.463 20 10 EGCDLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841043686 1321208363 /nfs/dbraw/zinc/20/83/63/1321208363.db2.gz QCEOAQFDMVTVRB-HXUWFJFHSA-N 2 2 349.482 3.241 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841750781 1321306826 /nfs/dbraw/zinc/30/68/26/1321306826.db2.gz JCEMODURPFZWBF-ZLIFDBKOSA-N 2 2 338.879 3.074 20 10 EGCDLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046737 1321461185 /nfs/dbraw/zinc/46/11/85/1321461185.db2.gz ADJUJZOXEPXRGG-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046737 1321461186 /nfs/dbraw/zinc/46/11/86/1321461186.db2.gz ADJUJZOXEPXRGG-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055559 1321462820 /nfs/dbraw/zinc/46/28/20/1321462820.db2.gz LAMXCLNZILSAGZ-SFHVURJKSA-N 2 2 326.440 3.155 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055559 1321462824 /nfs/dbraw/zinc/46/28/24/1321462824.db2.gz LAMXCLNZILSAGZ-SFHVURJKSA-N 2 2 326.440 3.155 20 10 EGCDLP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850556741 1322266375 /nfs/dbraw/zinc/26/63/75/1322266375.db2.gz JBAPUGWPTPVTBS-JXFKEZNVSA-N 2 2 331.504 3.047 20 10 EGCDLP Oc1cccc(Br)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000862235595 1329469330 /nfs/dbraw/zinc/46/93/30/1329469330.db2.gz IDGYOCKMZTYUIE-UHFFFAOYSA-N 2 2 336.233 3.188 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248760 1329470735 /nfs/dbraw/zinc/47/07/35/1329470735.db2.gz RAVIZZRRFNCWFI-STQMWFEESA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248760 1329470736 /nfs/dbraw/zinc/47/07/36/1329470736.db2.gz RAVIZZRRFNCWFI-STQMWFEESA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249461 1329470802 /nfs/dbraw/zinc/47/08/02/1329470802.db2.gz PWSHCAOSBVQQBY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249461 1329470803 /nfs/dbraw/zinc/47/08/03/1329470803.db2.gz PWSHCAOSBVQQBY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC001119437614 1371341245 /nfs/dbraw/zinc/34/12/45/1371341245.db2.gz BPWCYUGQUATMPN-OAHLLOKOSA-N 2 2 343.446 3.134 20 10 EGCDLP COc1cc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254016 1377858059 /nfs/dbraw/zinc/85/80/59/1377858059.db2.gz BZAKRKOOJOKDAT-OAHLLOKOSA-N 2 2 346.393 3.032 20 10 EGCDLP COc1cc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254016 1377858064 /nfs/dbraw/zinc/85/80/64/1377858064.db2.gz BZAKRKOOJOKDAT-OAHLLOKOSA-N 2 2 346.393 3.032 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)c3nccs3)cc2F)CC1 ZINC001318642819 1385810918 /nfs/dbraw/zinc/81/09/18/1385810918.db2.gz LPXRNSBLBNQGRX-UHFFFAOYSA-N 2 2 348.491 3.059 20 10 EGCDLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000091960800 454495464 /nfs/dbraw/zinc/49/54/64/454495464.db2.gz HJLXZKVRWGRMDC-CRAIPNDOSA-N 2 2 329.444 3.461 20 10 EGCDLP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000091960800 454495471 /nfs/dbraw/zinc/49/54/71/454495471.db2.gz HJLXZKVRWGRMDC-CRAIPNDOSA-N 2 2 329.444 3.461 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1O ZINC000185068813 455496199 /nfs/dbraw/zinc/49/61/99/455496199.db2.gz FSKYULLLYURKMJ-AWEZNQCLSA-N 2 2 329.419 3.242 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000185084619 455499213 /nfs/dbraw/zinc/49/92/13/455499213.db2.gz TZMIXFNLCDFZMH-GFCCVEGCSA-N 2 2 326.375 3.271 20 10 EGCDLP CCOc1ccc(O)c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000263709774 456198975 /nfs/dbraw/zinc/19/89/75/456198975.db2.gz TVEKLZAGEHPBKA-UHFFFAOYSA-N 2 2 337.423 3.326 20 10 EGCDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000756462139 576136853 /nfs/dbraw/zinc/13/68/53/576136853.db2.gz WNUJONFESQRHCK-GFCCVEGCSA-N 2 2 338.249 3.482 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609972 1300531662 /nfs/dbraw/zinc/53/16/62/1300531662.db2.gz GRGBTDPVZHKHOR-MDZLAQPJSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609972 1300531665 /nfs/dbraw/zinc/53/16/65/1300531665.db2.gz GRGBTDPVZHKHOR-MDZLAQPJSA-N 2 2 327.266 3.288 20 10 EGCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939880 1319469075 /nfs/dbraw/zinc/46/90/75/1319469075.db2.gz CYFOQOVNFBGADI-MAUKXSAKSA-N 2 2 327.472 3.426 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942227 1319469933 /nfs/dbraw/zinc/46/99/33/1319469933.db2.gz NAWKIKPMINZRSA-RBUKOAKNSA-N 2 2 328.435 3.027 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cc(F)c1O ZINC000817961192 1319477832 /nfs/dbraw/zinc/47/78/32/1319477832.db2.gz VGIPOMKKYVVBOH-BHDSKKPTSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817968061 1319481024 /nfs/dbraw/zinc/48/10/24/1319481024.db2.gz GRHZGIDUOHUHHO-GXSJLCMTSA-N 2 2 331.229 3.087 20 10 EGCDLP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041776 1321207884 /nfs/dbraw/zinc/20/78/84/1321207884.db2.gz BUYKSAUSVIFTIP-HXUWFJFHSA-N 2 2 349.482 3.036 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841045451 1321208240 /nfs/dbraw/zinc/20/82/40/1321208240.db2.gz KZDJTPNELHETLR-PKOBYXMFSA-N 2 2 329.875 3.163 20 10 EGCDLP C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Br)cc(F)c1O ZINC000843342749 1321502888 /nfs/dbraw/zinc/50/28/88/1321502888.db2.gz TWPFTNPFNWAGHP-SNVBAGLBSA-N 2 2 333.245 3.464 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000854223069 1325229865 /nfs/dbraw/zinc/22/98/65/1325229865.db2.gz CCVRVVKNAUAVJI-OMWUSAIZSA-N 2 2 344.430 3.336 20 10 EGCDLP CC(C)[N@H+](Cc1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC001203648632 1370200324 /nfs/dbraw/zinc/20/03/24/1370200324.db2.gz PNFOHJXJYKDBGY-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC(C)[N@@H+](Cc1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC001203648632 1370200327 /nfs/dbraw/zinc/20/03/27/1370200327.db2.gz PNFOHJXJYKDBGY-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880864 1370298289 /nfs/dbraw/zinc/29/82/89/1370298289.db2.gz JFPSFAOUPKEIMF-RTBURBONSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880864 1370298293 /nfs/dbraw/zinc/29/82/93/1370298293.db2.gz JFPSFAOUPKEIMF-RTBURBONSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880864 1370298298 /nfs/dbraw/zinc/29/82/98/1370298298.db2.gz JFPSFAOUPKEIMF-RTBURBONSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880864 1370298301 /nfs/dbraw/zinc/29/83/01/1370298301.db2.gz JFPSFAOUPKEIMF-RTBURBONSA-N 2 2 338.451 3.052 20 10 EGCDLP COCC[N@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC[NH+](C)CC1 ZINC001233285386 1376604575 /nfs/dbraw/zinc/60/45/75/1376604575.db2.gz DPTNUMCEPHYIGN-UHFFFAOYSA-N 2 2 334.504 3.232 20 10 EGCDLP COCC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)C1CC[NH+](C)CC1 ZINC001233285386 1376604577 /nfs/dbraw/zinc/60/45/77/1376604577.db2.gz DPTNUMCEPHYIGN-UHFFFAOYSA-N 2 2 334.504 3.232 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4O)C[C@@H]3C2)cc1 ZINC001138124958 1377680726 /nfs/dbraw/zinc/68/07/26/1377680726.db2.gz FOJNUICENBJVBD-OALUTQOASA-N 2 2 340.442 3.404 20 10 EGCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129445 1377682357 /nfs/dbraw/zinc/68/23/57/1377682357.db2.gz DGXJGYUPTYFSRL-IEBWSBKVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138129445 1377682359 /nfs/dbraw/zinc/68/23/59/1377682359.db2.gz DGXJGYUPTYFSRL-IEBWSBKVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138129445 1377682360 /nfs/dbraw/zinc/68/23/60/1377682360.db2.gz DGXJGYUPTYFSRL-IEBWSBKVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001138129445 1377682363 /nfs/dbraw/zinc/68/23/63/1377682363.db2.gz DGXJGYUPTYFSRL-IEBWSBKVSA-N 2 2 340.442 3.485 20 10 EGCDLP CCC[N@@H+](CCC[NH+](C)C)Cc1c(O)cccc1Br ZINC001140101917 1378007409 /nfs/dbraw/zinc/00/74/09/1378007409.db2.gz DJRJHSUYSNXJQJ-UHFFFAOYSA-N 2 2 329.282 3.318 20 10 EGCDLP CCC[N@H+](CCC[NH+](C)C)Cc1c(O)cccc1Br ZINC001140101917 1378007407 /nfs/dbraw/zinc/00/74/07/1378007407.db2.gz DJRJHSUYSNXJQJ-UHFFFAOYSA-N 2 2 329.282 3.318 20 10 EGCDLP Cc1ccc(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140952442 1378192140 /nfs/dbraw/zinc/19/21/40/1378192140.db2.gz SBVWKGWCEYHEQS-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP Cc1ccc(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c(O)c1 ZINC001140952442 1378192144 /nfs/dbraw/zinc/19/21/44/1378192144.db2.gz SBVWKGWCEYHEQS-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265204 1384946908 /nfs/dbraw/zinc/94/69/08/1384946908.db2.gz QRQRVZQGYSWFAD-RBUKOAKNSA-N 2 2 345.531 3.376 20 10 EGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1O ZINC000183429320 455291242 /nfs/dbraw/zinc/29/12/42/455291242.db2.gz BGZOAQBSESEBEK-MRXNPFEDSA-N 2 2 326.440 3.075 20 10 EGCDLP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287760565 456078237 /nfs/dbraw/zinc/07/82/37/456078237.db2.gz QVRQAEAUNGNELZ-PBHICJAKSA-N 2 2 339.911 3.112 20 10 EGCDLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000289124598 456116018 /nfs/dbraw/zinc/11/60/18/456116018.db2.gz NXXNFWOJIWAOOZ-UHFFFAOYSA-N 2 2 339.483 3.291 20 10 EGCDLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000289124598 456116020 /nfs/dbraw/zinc/11/60/20/456116020.db2.gz NXXNFWOJIWAOOZ-UHFFFAOYSA-N 2 2 339.483 3.291 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Br)cc1O ZINC000273363622 456225837 /nfs/dbraw/zinc/22/58/37/456225837.db2.gz DJSPMWOJGXABDG-GLQYFDAESA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1O ZINC000273363622 456225843 /nfs/dbraw/zinc/22/58/43/456225843.db2.gz DJSPMWOJGXABDG-GLQYFDAESA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1O ZINC000273480053 456233818 /nfs/dbraw/zinc/23/38/18/456233818.db2.gz LVLFOCFTUUSPHC-BJOOFOGMSA-N 2 2 338.879 3.074 20 10 EGCDLP Cc1c2ccccc2n(C)c1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000352526001 457439816 /nfs/dbraw/zinc/43/98/16/457439816.db2.gz JBWAQXSWLJXMCI-UHFFFAOYSA-N 2 2 349.482 3.246 20 10 EGCDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000756462353 576136732 /nfs/dbraw/zinc/13/67/32/576136732.db2.gz WNUJONFESQRHCK-LBPRGKRZSA-N 2 2 338.249 3.482 20 10 EGCDLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756511290 576151364 /nfs/dbraw/zinc/15/13/64/576151364.db2.gz UXOWDAVQIAOYRT-VIFPVBQESA-N 2 2 342.212 3.150 20 10 EGCDLP C[NH+](C)CC1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000715758238 1298285797 /nfs/dbraw/zinc/28/57/97/1298285797.db2.gz JIFRCWFORAHGNO-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[NH+]1CCC(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715826879 1298288071 /nfs/dbraw/zinc/28/80/71/1298288071.db2.gz JYLVYXANYMFZHW-UHFFFAOYSA-N 2 2 345.256 3.115 20 10 EGCDLP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC000876649324 1298896667 /nfs/dbraw/zinc/89/66/67/1298896667.db2.gz SKUDMEBPEFCWRR-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(O)c1 ZINC000876649324 1298896675 /nfs/dbraw/zinc/89/66/75/1298896675.db2.gz SKUDMEBPEFCWRR-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571795 1300524162 /nfs/dbraw/zinc/52/41/62/1300524162.db2.gz FOIRYDHZTIYTLP-CZUORRHYSA-N 2 2 338.879 3.340 20 10 EGCDLP C[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1O)C[NH+](C)C ZINC000813877198 1318649148 /nfs/dbraw/zinc/64/91/48/1318649148.db2.gz NZMBZUYZWMCBFM-NXEZZACHSA-N 2 2 333.245 3.142 20 10 EGCDLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937976 1319464385 /nfs/dbraw/zinc/46/43/85/1319464385.db2.gz AVJBJCYIEPTHSZ-DNVCBOLYSA-N 2 2 327.472 3.420 20 10 EGCDLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939100 1319467138 /nfs/dbraw/zinc/46/71/38/1319467138.db2.gz YWVUXMIWZXWCRF-BEFAXECRSA-N 2 2 327.472 3.420 20 10 EGCDLP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939322 1319467894 /nfs/dbraw/zinc/46/78/94/1319467894.db2.gz BBIPHVHXZMHHAX-JKSUJKDBSA-N 2 2 344.528 3.439 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942600 1319470457 /nfs/dbraw/zinc/47/04/57/1319470457.db2.gz PUZBYLFZUKRYMZ-OALUTQOASA-N 2 2 331.410 3.308 20 10 EGCDLP Oc1cc(Br)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000824855671 1320291795 /nfs/dbraw/zinc/29/17/95/1320291795.db2.gz OGRABCQRZIGRLJ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1cc(Br)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000824855671 1320291800 /nfs/dbraw/zinc/29/18/00/1320291800.db2.gz OGRABCQRZIGRLJ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCCCC1 ZINC000841039609 1321206825 /nfs/dbraw/zinc/20/68/25/1321206825.db2.gz WIVBYVVOEFTCQT-AWEZNQCLSA-N 2 2 327.266 3.152 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc3cc(F)ccc3o2)cc1 ZINC000841044711 1321208215 /nfs/dbraw/zinc/20/82/15/1321208215.db2.gz XRTLJGDQAQOARF-SFHVURJKSA-N 2 2 327.403 3.428 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843119311 1321473017 /nfs/dbraw/zinc/47/30/17/1321473017.db2.gz XUJQMERAZQMWSU-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000843119311 1321473020 /nfs/dbraw/zinc/47/30/20/1321473020.db2.gz XUJQMERAZQMWSU-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000849349672 1322115747 /nfs/dbraw/zinc/11/57/47/1322115747.db2.gz HNWJQIOGTLWDOP-RTBURBONSA-N 2 2 344.430 3.165 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558572 1322267789 /nfs/dbraw/zinc/26/77/89/1322267789.db2.gz ZZEKANRDFZBFDG-YJBOKZPZSA-N 2 2 340.467 3.449 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248757 1329470849 /nfs/dbraw/zinc/47/08/49/1329470849.db2.gz RAVIZZRRFNCWFI-CHWSQXEVSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248757 1329470851 /nfs/dbraw/zinc/47/08/51/1329470851.db2.gz RAVIZZRRFNCWFI-CHWSQXEVSA-N 2 2 341.293 3.459 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3ccc4c([nH+]3)CCC4)cc2F)CC1 ZINC001325164961 1387908731 /nfs/dbraw/zinc/90/87/31/1387908731.db2.gz BACVVJFGOSHXSS-UHFFFAOYSA-N 2 2 340.446 3.073 20 10 EGCDLP CN(C)c1ccc(C[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236270919 1376948432 /nfs/dbraw/zinc/94/84/32/1376948432.db2.gz PILXEVBEKJWMQX-HXUWFJFHSA-N 2 2 339.483 3.212 20 10 EGCDLP CN(C)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236270919 1376948442 /nfs/dbraw/zinc/94/84/42/1376948442.db2.gz PILXEVBEKJWMQX-HXUWFJFHSA-N 2 2 339.483 3.212 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000184894481 455468897 /nfs/dbraw/zinc/46/88/97/455468897.db2.gz HBGGOIAMFPJHHY-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000277629652 455618346 /nfs/dbraw/zinc/61/83/46/455618346.db2.gz CDSFNMRVONKOQK-GFCCVEGCSA-N 2 2 347.286 3.290 20 10 EGCDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CCCO1 ZINC000277629652 455618350 /nfs/dbraw/zinc/61/83/50/455618350.db2.gz CDSFNMRVONKOQK-GFCCVEGCSA-N 2 2 347.286 3.290 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000192709361 455674599 /nfs/dbraw/zinc/67/45/99/455674599.db2.gz BHMDSCRYNRQYDN-CQSZACIVSA-N 2 2 327.428 3.115 20 10 EGCDLP CC1CC[NH+](CCC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048795294 1291618143 /nfs/dbraw/zinc/61/81/43/1291618143.db2.gz GMOGQCRDLQOUQT-UHFFFAOYSA-N 2 2 341.293 3.366 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843052540 1321462472 /nfs/dbraw/zinc/46/24/72/1321462472.db2.gz VNABLLHUOSFTPM-RYUDHWBXSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843052540 1321462477 /nfs/dbraw/zinc/46/24/77/1321462477.db2.gz VNABLLHUOSFTPM-RYUDHWBXSA-N 2 2 327.266 3.022 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827844292 1292385901 /nfs/dbraw/zinc/38/59/01/1292385901.db2.gz KFEGLZOUPNZIIG-UHFFFAOYSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949860 1292410859 /nfs/dbraw/zinc/41/08/59/1292410859.db2.gz OKSQYQKUDGJJMG-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000237270733 1296234155 /nfs/dbraw/zinc/23/41/55/1296234155.db2.gz CMRCMVVLQQKCRP-LJQANCHMSA-N 2 2 343.515 3.153 20 10 EGCDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756503741 1300509488 /nfs/dbraw/zinc/50/94/88/1300509488.db2.gz LZPYYMFPHMQJSD-UWVGGRQHSA-N 2 2 333.245 3.285 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1O ZINC000779067379 1304524851 /nfs/dbraw/zinc/52/48/51/1304524851.db2.gz WNPQBYPQRNJNOO-JQWIXIFHSA-N 2 2 336.233 3.017 20 10 EGCDLP C[NH+]1CCC2(CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000798956810 1310463459 /nfs/dbraw/zinc/46/34/59/1310463459.db2.gz AWNFSUGIJONTAB-UHFFFAOYSA-N 2 2 326.843 3.493 20 10 EGCDLP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000798956810 1310463465 /nfs/dbraw/zinc/46/34/65/1310463465.db2.gz AWNFSUGIJONTAB-UHFFFAOYSA-N 2 2 326.843 3.493 20 10 EGCDLP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1O ZINC000806131913 1317462897 /nfs/dbraw/zinc/46/28/97/1317462897.db2.gz OSUYMHXIMNGCOI-QGZVFWFLSA-N 2 2 339.911 3.114 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806132468 1317463589 /nfs/dbraw/zinc/46/35/89/1317463589.db2.gz WQSYGYQQWRQVHV-RHSMWYFYSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1O ZINC000809750332 1317890605 /nfs/dbraw/zinc/89/06/05/1317890605.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 2 2 341.293 3.463 20 10 EGCDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1O ZINC000809750332 1317890610 /nfs/dbraw/zinc/89/06/10/1317890610.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 2 2 341.293 3.463 20 10 EGCDLP CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817890007 1319451585 /nfs/dbraw/zinc/45/15/85/1319451585.db2.gz VYHHHMKKSXBLPA-QXGSTGNESA-N 2 2 349.494 3.060 20 10 EGCDLP COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937975 1319465347 /nfs/dbraw/zinc/46/53/47/1319465347.db2.gz AVJBJCYIEPTHSZ-BEFAXECRSA-N 2 2 327.472 3.420 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939534 1319468599 /nfs/dbraw/zinc/46/85/99/1319468599.db2.gz CKNQBUAOZXMVCM-BEFAXECRSA-N 2 2 326.488 3.169 20 10 EGCDLP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939882 1319468634 /nfs/dbraw/zinc/46/86/34/1319468634.db2.gz CYFOQOVNFBGADI-YJBOKZPZSA-N 2 2 327.472 3.426 20 10 EGCDLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941406 1319469815 /nfs/dbraw/zinc/46/98/15/1319469815.db2.gz JREPORAIAJJEFE-GBESFXJTSA-N 2 2 331.504 3.080 20 10 EGCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000817949657 1319472994 /nfs/dbraw/zinc/47/29/94/1319472994.db2.gz LNMMHJVWBGYLSK-AAEUAGOBSA-N 2 2 327.266 3.256 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817970300 1319480856 /nfs/dbraw/zinc/48/08/56/1319480856.db2.gz QXZHSVLEXKBKLV-GUBZILKMSA-N 2 2 331.229 3.214 20 10 EGCDLP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841044941 1321208285 /nfs/dbraw/zinc/20/82/85/1321208285.db2.gz GKQGBLQMPPHLDD-HRAATJIYSA-N 2 2 341.499 3.372 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000854221817 1325230746 /nfs/dbraw/zinc/23/07/46/1325230746.db2.gz AIBPFFFAOBKMTH-OMWUSAIZSA-N 2 2 344.430 3.336 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001206327476 1371023574 /nfs/dbraw/zinc/02/35/74/1371023574.db2.gz WXNBQIILKOIOJK-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001206327476 1371023578 /nfs/dbraw/zinc/02/35/78/1371023578.db2.gz WXNBQIILKOIOJK-HNNXBMFYSA-N 2 2 345.256 3.245 20 10 EGCDLP Cc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236207265 1376940982 /nfs/dbraw/zinc/94/09/82/1376940982.db2.gz AOVPKMJKROXGPA-HNNXBMFYSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236207265 1376940989 /nfs/dbraw/zinc/94/09/89/1376940989.db2.gz AOVPKMJKROXGPA-HNNXBMFYSA-N 2 2 327.266 3.037 20 10 EGCDLP c1c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236241095 1376945171 /nfs/dbraw/zinc/94/51/71/1376945171.db2.gz RGADGRNWOOGXIT-FQEVSTJZSA-N 2 2 325.500 3.102 20 10 EGCDLP c1c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236241095 1376945177 /nfs/dbraw/zinc/94/51/77/1376945177.db2.gz RGADGRNWOOGXIT-FQEVSTJZSA-N 2 2 325.500 3.102 20 10 EGCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Br)c(F)cc1O ZINC001144307861 1378715475 /nfs/dbraw/zinc/71/54/75/1378715475.db2.gz JJDSMQMTMDLZMD-UHFFFAOYSA-N 2 2 333.245 3.067 20 10 EGCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(F)cc1O ZINC001144307861 1378715478 /nfs/dbraw/zinc/71/54/78/1378715478.db2.gz JJDSMQMTMDLZMD-UHFFFAOYSA-N 2 2 333.245 3.067 20 10 EGCDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(O)cccc3Cl)[nH+]c2)C1 ZINC000269511769 455849394 /nfs/dbraw/zinc/84/93/94/455849394.db2.gz OQCAWMPUBZLXTP-CQSZACIVSA-N 2 2 346.862 3.193 20 10 EGCDLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000287584196 456072617 /nfs/dbraw/zinc/07/26/17/456072617.db2.gz HQLTZHGYSCLIMG-CJNGLKHVSA-N 2 2 328.884 3.443 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1O ZINC000288443702 456096071 /nfs/dbraw/zinc/09/60/71/456096071.db2.gz MFKIIMWBIIIEGA-YJBOKZPZSA-N 2 2 326.440 3.153 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1O ZINC000288443702 456096078 /nfs/dbraw/zinc/09/60/78/456096078.db2.gz MFKIIMWBIIIEGA-YJBOKZPZSA-N 2 2 326.440 3.153 20 10 EGCDLP CN(C)c1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290501416 456347130 /nfs/dbraw/zinc/34/71/30/456347130.db2.gz PCYLUYMPQRWUFF-UHFFFAOYSA-N 2 2 327.472 3.442 20 10 EGCDLP CN(C)c1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290501416 456347133 /nfs/dbraw/zinc/34/71/33/456347133.db2.gz PCYLUYMPQRWUFF-UHFFFAOYSA-N 2 2 327.472 3.442 20 10 EGCDLP CCOCc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1OC ZINC000376729063 458376922 /nfs/dbraw/zinc/37/69/22/458376922.db2.gz NKMWZKNJFMSIEQ-UHFFFAOYSA-N 2 2 329.444 3.054 20 10 EGCDLP CC1(C)C[N@@H+](C2(C[NH2+]Cc3ccccc3O)CCCCC2)CCO1 ZINC000731218660 575059795 /nfs/dbraw/zinc/05/97/95/575059795.db2.gz YPTOMNGLPGVQCL-UHFFFAOYSA-N 2 2 332.488 3.296 20 10 EGCDLP CC1(C)C[N@H+](C2(C[NH2+]Cc3ccccc3O)CCCCC2)CCO1 ZINC000731218660 575059796 /nfs/dbraw/zinc/05/97/96/575059796.db2.gz YPTOMNGLPGVQCL-UHFFFAOYSA-N 2 2 332.488 3.296 20 10 EGCDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000164525482 1294348823 /nfs/dbraw/zinc/34/88/23/1294348823.db2.gz PGRAFBNQGQPPGC-UHFFFAOYSA-N 2 2 331.460 3.417 20 10 EGCDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000164525482 1294348826 /nfs/dbraw/zinc/34/88/26/1294348826.db2.gz PGRAFBNQGQPPGC-UHFFFAOYSA-N 2 2 331.460 3.417 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000715778765 1298285406 /nfs/dbraw/zinc/28/54/06/1298285406.db2.gz MIOGRPFBDKOCIU-OLZOCXBDSA-N 2 2 343.240 3.010 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715778765 1298285416 /nfs/dbraw/zinc/28/54/16/1298285416.db2.gz MIOGRPFBDKOCIU-OLZOCXBDSA-N 2 2 343.240 3.010 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000772871017 1303587860 /nfs/dbraw/zinc/58/78/60/1303587860.db2.gz RLFAQPHPAJXJOE-UHFFFAOYSA-N 2 2 343.515 3.130 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938640 1319466584 /nfs/dbraw/zinc/46/65/84/1319466584.db2.gz OTFHQGMKORQCOI-IIBYNOLFSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938698 1319466710 /nfs/dbraw/zinc/46/67/10/1319466710.db2.gz QIRLBJVNXZNCHU-IFXJQAMLSA-N 2 2 325.456 3.038 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943925 1319471565 /nfs/dbraw/zinc/47/15/65/1319471565.db2.gz WTXDDQRSWGWEIK-OXJNMPFZSA-N 2 2 349.482 3.289 20 10 EGCDLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817954598 1319475418 /nfs/dbraw/zinc/47/54/18/1319475418.db2.gz ZQNAGSVTXLNHTG-JTQLQIEISA-N 2 2 333.245 3.333 20 10 EGCDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817962433 1319479164 /nfs/dbraw/zinc/47/91/64/1319479164.db2.gz LYHMJDPPYSTBKJ-ZJUUUORDSA-N 2 2 333.245 3.462 20 10 EGCDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972986 1319482644 /nfs/dbraw/zinc/48/26/44/1319482644.db2.gz AQSAQSRGFQCLSG-PXNSSMCTSA-N 2 2 331.504 3.096 20 10 EGCDLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817976251 1319484020 /nfs/dbraw/zinc/48/40/20/1319484020.db2.gz ISFNGPCEMFBCFP-ZJUUUORDSA-N 2 2 333.245 3.462 20 10 EGCDLP COc1cc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1OC ZINC000841036208 1321205717 /nfs/dbraw/zinc/20/57/17/1321205717.db2.gz LEYFSJLEOQKJDV-QGZVFWFLSA-N 2 2 344.455 3.322 20 10 EGCDLP Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364386 1321506783 /nfs/dbraw/zinc/50/67/83/1321506783.db2.gz GRDUQDBVVBXSTJ-WMZOPIPTSA-N 2 2 339.483 3.254 20 10 EGCDLP Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364386 1321506788 /nfs/dbraw/zinc/50/67/88/1321506788.db2.gz GRDUQDBVVBXSTJ-WMZOPIPTSA-N 2 2 339.483 3.254 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000843377191 1321508740 /nfs/dbraw/zinc/50/87/40/1321508740.db2.gz QPZDKRBLDFQHJX-UHFFFAOYSA-N 2 2 330.403 3.085 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1O ZINC000843377191 1321508742 /nfs/dbraw/zinc/50/87/42/1321508742.db2.gz QPZDKRBLDFQHJX-UHFFFAOYSA-N 2 2 330.403 3.085 20 10 EGCDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838856 1321815162 /nfs/dbraw/zinc/81/51/62/1321815162.db2.gz AZINVKVYIZVVKP-PXNSSMCTSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838856 1321815166 /nfs/dbraw/zinc/81/51/66/1321815166.db2.gz AZINVKVYIZVVKP-PXNSSMCTSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838856 1321815169 /nfs/dbraw/zinc/81/51/69/1321815169.db2.gz AZINVKVYIZVVKP-PXNSSMCTSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000846838856 1321815172 /nfs/dbraw/zinc/81/51/72/1321815172.db2.gz AZINVKVYIZVVKP-PXNSSMCTSA-N 2 2 342.483 3.268 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930370 1322049119 /nfs/dbraw/zinc/04/91/19/1322049119.db2.gz QUOCFHSSHDSYBW-HXUWFJFHSA-N 2 2 345.531 3.220 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930370 1322049125 /nfs/dbraw/zinc/04/91/25/1322049125.db2.gz QUOCFHSSHDSYBW-HXUWFJFHSA-N 2 2 345.531 3.220 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c(OC)c1 ZINC001206343843 1371027451 /nfs/dbraw/zinc/02/74/51/1371027451.db2.gz JLVSAQPRDKFLJY-IBGZPJMESA-N 2 2 337.483 3.194 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](F)(C[NH3+])C2)c(OC)c1 ZINC001206343843 1371027454 /nfs/dbraw/zinc/02/74/54/1371027454.db2.gz JLVSAQPRDKFLJY-IBGZPJMESA-N 2 2 337.483 3.194 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3cc4cc[nH]c4c[nH+]3)cc2F)CC1 ZINC001118302765 1371160868 /nfs/dbraw/zinc/16/08/68/1371160868.db2.gz IDQHTMXOMIGMAJ-UHFFFAOYSA-N 2 2 339.418 3.066 20 10 EGCDLP c1ccn(-c2ccc(-c3nnc([C@@H]4CCC5(CC[NH2+]CC5)[NH2+]4)o3)cc2)c1 ZINC001217703852 1373490928 /nfs/dbraw/zinc/49/09/28/1373490928.db2.gz BXUNOCMWIAQXQN-KRWDZBQOSA-N 2 2 349.438 3.074 20 10 EGCDLP c1c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222390826 1373833995 /nfs/dbraw/zinc/83/39/95/1373833995.db2.gz VAPJHOIZBBKNKT-QFIPXVFZSA-N 2 2 339.527 3.494 20 10 EGCDLP c1c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cc2c3c1CCCN3CCC2 ZINC001222390826 1373833997 /nfs/dbraw/zinc/83/39/97/1373833997.db2.gz VAPJHOIZBBKNKT-QFIPXVFZSA-N 2 2 339.527 3.494 20 10 EGCDLP CC[N@H+](C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776257 1376713991 /nfs/dbraw/zinc/71/39/91/1376713991.db2.gz NWBMPQRHRLISOD-UHFFFAOYSA-N 2 2 332.366 3.207 20 10 EGCDLP CC[N@@H+](C)C1CC[NH+](Cc2cccc(OC(F)(F)F)c2O)CC1 ZINC001233776257 1376713994 /nfs/dbraw/zinc/71/39/94/1376713994.db2.gz NWBMPQRHRLISOD-UHFFFAOYSA-N 2 2 332.366 3.207 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000184894175 455469154 /nfs/dbraw/zinc/46/91/54/455469154.db2.gz ZTQDRCLJFQUGEU-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000185084598 455498583 /nfs/dbraw/zinc/49/85/83/455498583.db2.gz TZMIXFNLCDFZMH-LBPRGKRZSA-N 2 2 326.375 3.271 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836071 455524699 /nfs/dbraw/zinc/52/46/99/455524699.db2.gz USUNDLOVQRIQNW-HKUYNNGSSA-N 2 2 340.467 3.334 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836071 455524704 /nfs/dbraw/zinc/52/47/04/455524704.db2.gz USUNDLOVQRIQNW-HKUYNNGSSA-N 2 2 340.467 3.334 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@H](C)C1 ZINC000185461185 455561443 /nfs/dbraw/zinc/56/14/43/455561443.db2.gz CJRIKSOQYPFCCS-RVKKMQEKSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@H](C)C1 ZINC000185461185 455561445 /nfs/dbraw/zinc/56/14/45/455561445.db2.gz CJRIKSOQYPFCCS-RVKKMQEKSA-N 2 2 338.467 3.319 20 10 EGCDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cc(Br)ccc1O ZINC000296419303 455933161 /nfs/dbraw/zinc/93/31/61/455933161.db2.gz LGPAEMGLQMQJQD-NDNKKMJESA-N 2 2 339.277 3.431 20 10 EGCDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cc(Br)ccc1O ZINC000296419303 455933170 /nfs/dbraw/zinc/93/31/70/455933170.db2.gz LGPAEMGLQMQJQD-NDNKKMJESA-N 2 2 339.277 3.431 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000272797103 456072380 /nfs/dbraw/zinc/07/23/80/456072380.db2.gz ARABCHWZUHCGHP-GDBMZVCRSA-N 2 2 326.444 3.101 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1O ZINC000273514686 456235712 /nfs/dbraw/zinc/23/57/12/456235712.db2.gz SFLWKUQUQLKPMN-CZUORRHYSA-N 2 2 344.434 3.240 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000827951392 1292411532 /nfs/dbraw/zinc/41/15/32/1292411532.db2.gz YMOGAGMMUMYHNM-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827951392 1292411538 /nfs/dbraw/zinc/41/15/38/1292411538.db2.gz YMOGAGMMUMYHNM-ZDUSSCGKSA-N 2 2 326.843 3.396 20 10 EGCDLP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482873 1300503607 /nfs/dbraw/zinc/50/36/07/1300503607.db2.gz JQEKBSHVIDJVAQ-MCIONIFRSA-N 2 2 342.430 3.210 20 10 EGCDLP CC[C@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675713 1302116063 /nfs/dbraw/zinc/11/60/63/1302116063.db2.gz HIMALDCVLFGJPZ-ROUUACIJSA-N 2 2 333.520 3.232 20 10 EGCDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C2CC2)[nH+]1 ZINC000882880484 1302145882 /nfs/dbraw/zinc/14/58/82/1302145882.db2.gz VBLSRRBNQCMITM-UHFFFAOYSA-N 2 2 337.471 3.026 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(Cl)ccc1O ZINC000775488993 1303972094 /nfs/dbraw/zinc/97/20/94/1303972094.db2.gz LOUCYQKENZPHRZ-MRXNPFEDSA-N 2 2 326.868 3.197 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870455 1320293306 /nfs/dbraw/zinc/29/33/06/1320293306.db2.gz RQTPRPFBBSGGPH-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824870455 1320293311 /nfs/dbraw/zinc/29/33/11/1320293311.db2.gz RQTPRPFBBSGGPH-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cc1O ZINC000825089511 1320308665 /nfs/dbraw/zinc/30/86/65/1320308665.db2.gz DNQIIIAHNXRYCT-LLVKDONJSA-N 2 2 338.249 3.086 20 10 EGCDLP CN(C)c1cc(F)c(C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000858122839 1328688403 /nfs/dbraw/zinc/68/84/03/1328688403.db2.gz SOJSAFSXQPPUFX-UHFFFAOYSA-N 2 2 334.414 3.408 20 10 EGCDLP Oc1cccc(Br)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000858148643 1328696410 /nfs/dbraw/zinc/69/64/10/1328696410.db2.gz FSKXPFQGUKGTOF-UHFFFAOYSA-N 2 2 336.233 3.142 20 10 EGCDLP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1O ZINC000810238091 1317984361 /nfs/dbraw/zinc/98/43/61/1317984361.db2.gz YAJFNCUDDVMWGL-CQSZACIVSA-N 2 2 327.350 3.428 20 10 EGCDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C[NH+](C)C ZINC000813877199 1318648647 /nfs/dbraw/zinc/64/86/47/1318648647.db2.gz NZMBZUYZWMCBFM-UWVGGRQHSA-N 2 2 333.245 3.142 20 10 EGCDLP CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817890005 1319452222 /nfs/dbraw/zinc/45/22/22/1319452222.db2.gz VYHHHMKKSXBLPA-LTDCPUDJSA-N 2 2 349.494 3.060 20 10 EGCDLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938758 1319466882 /nfs/dbraw/zinc/46/68/82/1319466882.db2.gz RPDBQDFNZXIEQK-MOPGFXCFSA-N 2 2 325.456 3.038 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)[C@@H]1CCC[NH2+]C1 ZINC000817946817 1319472413 /nfs/dbraw/zinc/47/24/13/1319472413.db2.gz FKBNUDKASGFOGM-OUAUKWLOSA-N 2 2 345.256 3.333 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000841042778 1321207838 /nfs/dbraw/zinc/20/78/38/1321207838.db2.gz OCXPPYPQWGLCER-NRFANRHFSA-N 2 2 339.483 3.331 20 10 EGCDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000848576105 1321978638 /nfs/dbraw/zinc/97/86/38/1321978638.db2.gz ZVCRTXRENMTDBQ-OALUTQOASA-N 2 2 332.488 3.338 20 10 EGCDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000848576105 1321978640 /nfs/dbraw/zinc/97/86/40/1321978640.db2.gz ZVCRTXRENMTDBQ-OALUTQOASA-N 2 2 332.488 3.338 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558431 1322266997 /nfs/dbraw/zinc/26/69/97/1322266997.db2.gz WSTGTZHDWLVWOJ-RDJZCZTQSA-N 2 2 338.879 3.340 20 10 EGCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000862247649 1329470826 /nfs/dbraw/zinc/47/08/26/1329470826.db2.gz KPUCMYSLPFCKOJ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000862247649 1329470827 /nfs/dbraw/zinc/47/08/27/1329470827.db2.gz KPUCMYSLPFCKOJ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001205197101 1370676811 /nfs/dbraw/zinc/67/68/11/1370676811.db2.gz FOANIISIKRYDPX-MEBBXXQBSA-N 2 2 335.245 3.229 20 10 EGCDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001205197101 1370676801 /nfs/dbraw/zinc/67/68/01/1370676801.db2.gz FOANIISIKRYDPX-MEBBXXQBSA-N 2 2 335.245 3.229 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001206317023 1371020483 /nfs/dbraw/zinc/02/04/83/1371020483.db2.gz BAKQOZBNFDDNBG-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001206317023 1371020488 /nfs/dbraw/zinc/02/04/88/1371020488.db2.gz BAKQOZBNFDDNBG-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP Oc1c(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cccc1OC(F)(F)F ZINC001222394758 1373834711 /nfs/dbraw/zinc/83/47/11/1373834711.db2.gz AKKFYLSKIGJDNK-INIZCTEOSA-N 2 2 344.377 3.399 20 10 EGCDLP Oc1c(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)cccc1OC(F)(F)F ZINC001222394758 1373834715 /nfs/dbraw/zinc/83/47/15/1373834715.db2.gz AKKFYLSKIGJDNK-INIZCTEOSA-N 2 2 344.377 3.399 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)ccc2O1 ZINC001222441270 1373846226 /nfs/dbraw/zinc/84/62/26/1373846226.db2.gz IBGZWNAPIHAWPV-HXUWFJFHSA-N 2 2 328.456 3.294 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)ccc2O1 ZINC001222441270 1373846229 /nfs/dbraw/zinc/84/62/29/1373846229.db2.gz IBGZWNAPIHAWPV-HXUWFJFHSA-N 2 2 328.456 3.294 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190752 1376858042 /nfs/dbraw/zinc/85/80/42/1376858042.db2.gz KEQQNWHWMWRLFM-UHFFFAOYSA-N 2 2 344.377 3.399 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235190752 1376858050 /nfs/dbraw/zinc/85/80/50/1376858050.db2.gz KEQQNWHWMWRLFM-UHFFFAOYSA-N 2 2 344.377 3.399 20 10 EGCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903024 1376916045 /nfs/dbraw/zinc/91/60/45/1376916045.db2.gz HRWPTZAQTQPOEC-CRAIPNDOSA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903024 1376916049 /nfs/dbraw/zinc/91/60/49/1376916049.db2.gz HRWPTZAQTQPOEC-CRAIPNDOSA-N 2 2 326.440 3.283 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)c(O)c1 ZINC001236524643 1376955984 /nfs/dbraw/zinc/95/59/84/1376955984.db2.gz YDWZKBRPHMVKIR-UHFFFAOYSA-N 2 2 327.472 3.199 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c(O)c1 ZINC001236524643 1376955990 /nfs/dbraw/zinc/95/59/90/1376955990.db2.gz YDWZKBRPHMVKIR-UHFFFAOYSA-N 2 2 327.472 3.199 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137832630 1377624271 /nfs/dbraw/zinc/62/42/71/1377624271.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137832630 1377624274 /nfs/dbraw/zinc/62/42/74/1377624274.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001137832630 1377624277 /nfs/dbraw/zinc/62/42/77/1377624277.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001137832630 1377624280 /nfs/dbraw/zinc/62/42/80/1377624280.db2.gz BQHQTNLCEVJEBD-OKILXGFUSA-N 2 2 332.444 3.157 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001328659453 1388799792 /nfs/dbraw/zinc/79/97/92/1388799792.db2.gz KIVZZRNOGBGHDN-KRWDZBQOSA-N 2 2 326.488 3.249 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001328659453 1388799797 /nfs/dbraw/zinc/79/97/97/1388799797.db2.gz KIVZZRNOGBGHDN-KRWDZBQOSA-N 2 2 326.488 3.249 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+][C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163321631 1383021660 /nfs/dbraw/zinc/02/16/60/1383021660.db2.gz DGDGCDHAQLDVNB-AZUAARDMSA-N 2 2 325.456 3.417 20 10 EGCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865658 454741794 /nfs/dbraw/zinc/74/17/94/454741794.db2.gz LLZLBIMQCHBGDR-OAHLLOKOSA-N 2 2 349.228 3.203 20 10 EGCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865658 454741798 /nfs/dbraw/zinc/74/17/98/454741798.db2.gz LLZLBIMQCHBGDR-OAHLLOKOSA-N 2 2 349.228 3.203 20 10 EGCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000113323683 454922751 /nfs/dbraw/zinc/92/27/51/454922751.db2.gz ANJHWWYAZIXPOA-UHFFFAOYSA-N 2 2 331.847 3.195 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1O ZINC000155200695 454974030 /nfs/dbraw/zinc/97/40/30/454974030.db2.gz KJIOCWLTYWXRDM-LJQANCHMSA-N 2 2 325.456 3.493 20 10 EGCDLP COc1ccc(O)c(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000237360703 455176895 /nfs/dbraw/zinc/17/68/95/455176895.db2.gz AFFVFAGWBKYUAN-LJQANCHMSA-N 2 2 326.440 3.328 20 10 EGCDLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185314302 455537944 /nfs/dbraw/zinc/53/79/44/455537944.db2.gz PYOQBSUSUSHPCA-ZDUSSCGKSA-N 2 2 326.868 3.197 20 10 EGCDLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(O)c1 ZINC000273525963 456236332 /nfs/dbraw/zinc/23/63/32/456236332.db2.gz VFNZLXOHDBKIFJ-NVXWUHKLSA-N 2 2 340.471 3.409 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1O ZINC000273514689 456236621 /nfs/dbraw/zinc/23/66/21/456236621.db2.gz SFLWKUQUQLKPMN-XJKSGUPXSA-N 2 2 344.434 3.240 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000369037431 458071923 /nfs/dbraw/zinc/07/19/23/458071923.db2.gz XEWKVMGCJNVBBZ-YJBOKZPZSA-N 2 2 326.440 3.326 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000369037431 458071928 /nfs/dbraw/zinc/07/19/28/458071928.db2.gz XEWKVMGCJNVBBZ-YJBOKZPZSA-N 2 2 326.440 3.326 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372774951 458331309 /nfs/dbraw/zinc/33/13/09/458331309.db2.gz DOJPOMRRVUFEOE-UHFFFAOYSA-N 2 2 332.766 3.055 20 10 EGCDLP C[N@H+](Cc1ccc(Br)cc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000691673657 1298136271 /nfs/dbraw/zinc/13/62/71/1298136271.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 2 2 339.277 3.212 20 10 EGCDLP C[N@@H+](Cc1ccc(Br)cc1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000691673657 1298136276 /nfs/dbraw/zinc/13/62/76/1298136276.db2.gz CHIIMUYXGVHMGB-YIONKMFJSA-N 2 2 339.277 3.212 20 10 EGCDLP Oc1cccc(Br)c1C[NH2+]CCC[NH+]1CCCCC1 ZINC000706871563 1298225993 /nfs/dbraw/zinc/22/59/93/1298225993.db2.gz JFOMRXAXWSKUCX-UHFFFAOYSA-N 2 2 327.266 3.120 20 10 EGCDLP Cc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(O)c1 ZINC000877094976 1299154206 /nfs/dbraw/zinc/15/42/06/1299154206.db2.gz OQDSJRWHPSNVSF-UHFFFAOYSA-N 2 2 340.471 3.238 20 10 EGCDLP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883145398 1302269836 /nfs/dbraw/zinc/26/98/36/1302269836.db2.gz ZDMAMTWSFONTIG-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000883145398 1302269845 /nfs/dbraw/zinc/26/98/45/1302269845.db2.gz ZDMAMTWSFONTIG-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000883167032 1302280310 /nfs/dbraw/zinc/28/03/10/1302280310.db2.gz NWBRSJALTLJVMD-UHFFFAOYSA-N 2 2 347.409 3.067 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000817944353 1319472301 /nfs/dbraw/zinc/47/23/01/1319472301.db2.gz ZQSSQYOGJNEQSD-RBUKOAKNSA-N 2 2 325.456 3.256 20 10 EGCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000817949660 1319473377 /nfs/dbraw/zinc/47/33/77/1319473377.db2.gz LNMMHJVWBGYLSK-YPMHNXCESA-N 2 2 327.266 3.256 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cc(F)c1O ZINC000817961195 1319478236 /nfs/dbraw/zinc/47/82/36/1319478236.db2.gz VGIPOMKKYVVBOH-RBZYPMLTSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)c(F)cc1O ZINC000817981840 1319485108 /nfs/dbraw/zinc/48/51/08/1319485108.db2.gz OCHVUVPYNXZBBJ-XPTSAGLGSA-N 2 2 345.256 3.462 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000841038330 1321206694 /nfs/dbraw/zinc/20/66/94/1321206694.db2.gz VCVZPXXXSFTRGT-HNNXBMFYSA-N 2 2 335.245 3.253 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000841043890 1321208384 /nfs/dbraw/zinc/20/83/84/1321208384.db2.gz RGJZWBFOCCPCIC-INIZCTEOSA-N 2 2 332.517 3.296 20 10 EGCDLP CCCOc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044327 1321208542 /nfs/dbraw/zinc/20/85/42/1321208542.db2.gz WCEJKWAGQMJLPY-FQEVSTJZSA-N 2 2 327.472 3.331 20 10 EGCDLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cc(F)c1O ZINC000854222032 1325230622 /nfs/dbraw/zinc/23/06/22/1325230622.db2.gz BUKMYVJQQJTEJT-SECBINFHSA-N 2 2 331.229 3.216 20 10 EGCDLP Oc1cccc(Br)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000862235170 1329469372 /nfs/dbraw/zinc/46/93/72/1329469372.db2.gz CVNOSSRPYPJZKG-UHFFFAOYSA-N 2 2 336.233 3.257 20 10 EGCDLP [NH3+][C@@H]1CCCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205938543 1370917786 /nfs/dbraw/zinc/91/77/86/1370917786.db2.gz IXFUMBISKISIMU-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+][C@@H]1CCCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001205938543 1370917791 /nfs/dbraw/zinc/91/77/91/1370917791.db2.gz IXFUMBISKISIMU-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140338776 1378048395 /nfs/dbraw/zinc/04/83/95/1378048395.db2.gz PEJXSPBXVSENNM-HOTGVXAUSA-N 2 2 343.858 3.004 20 10 EGCDLP CSc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156658192 1380606085 /nfs/dbraw/zinc/60/60/85/1380606085.db2.gz UUSBFDHROAEYMK-UHFFFAOYSA-N 2 2 328.485 3.167 20 10 EGCDLP Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797029 454145913 /nfs/dbraw/zinc/14/59/13/454145913.db2.gz MFXBAXDBQKBIKO-QGZVFWFLSA-N 2 2 340.467 3.090 20 10 EGCDLP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069797029 454145916 /nfs/dbraw/zinc/14/59/16/454145916.db2.gz MFXBAXDBQKBIKO-QGZVFWFLSA-N 2 2 340.467 3.090 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185116215 455504612 /nfs/dbraw/zinc/50/46/12/455504612.db2.gz ZAIDCJYISOGYEJ-OAHLLOKOSA-N 2 2 328.456 3.043 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(C)s3)cc2F)CC1 ZINC000295175459 455842005 /nfs/dbraw/zinc/84/20/05/455842005.db2.gz LZNMDYAWMZJVRX-UHFFFAOYSA-N 2 2 348.491 3.022 20 10 EGCDLP CN(C)c1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000269540227 455849265 /nfs/dbraw/zinc/84/92/65/455849265.db2.gz UYHMZPQDHKMHIQ-UHFFFAOYSA-N 2 2 347.466 3.498 20 10 EGCDLP CN(C)c1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C2CC2)cc1 ZINC000269540227 455849269 /nfs/dbraw/zinc/84/92/69/455849269.db2.gz UYHMZPQDHKMHIQ-UHFFFAOYSA-N 2 2 347.466 3.498 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093073 455890072 /nfs/dbraw/zinc/89/00/72/455890072.db2.gz AXSDTSCPZTUZKY-ZDUSSCGKSA-N 2 2 329.410 3.155 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093073 455890075 /nfs/dbraw/zinc/89/00/75/455890075.db2.gz AXSDTSCPZTUZKY-ZDUSSCGKSA-N 2 2 329.410 3.155 20 10 EGCDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1O ZINC000367520436 457961709 /nfs/dbraw/zinc/96/17/09/457961709.db2.gz WOHGUKUHFCKWNA-MRXNPFEDSA-N 2 2 326.375 3.353 20 10 EGCDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1O ZINC000093660074 1292928167 /nfs/dbraw/zinc/92/81/67/1292928167.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 2 2 341.293 3.461 20 10 EGCDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1O ZINC000093660074 1292928154 /nfs/dbraw/zinc/92/81/54/1292928154.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 2 2 341.293 3.461 20 10 EGCDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1O ZINC000093660074 1292928160 /nfs/dbraw/zinc/92/81/60/1292928160.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 2 2 341.293 3.461 20 10 EGCDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1O ZINC000093660074 1292928174 /nfs/dbraw/zinc/92/81/74/1292928174.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 2 2 341.293 3.461 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1c(O)cccc1F ZINC000886578261 1303509288 /nfs/dbraw/zinc/50/92/88/1303509288.db2.gz PPYHLLKACYZXDW-ZFWWWQNUSA-N 2 2 344.434 3.240 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1O ZINC000779061228 1304524189 /nfs/dbraw/zinc/52/41/89/1304524189.db2.gz KEPKVWBKHVZPPI-PWSUYJOCSA-N 2 2 336.233 3.017 20 10 EGCDLP Oc1cc2c(cc1C[NH+]1CCC(CCCn3cc[nH+]c3)CC1)OCO2 ZINC000782944800 1305026313 /nfs/dbraw/zinc/02/63/13/1305026313.db2.gz KWHCFLMQADNSIX-UHFFFAOYSA-N 2 2 343.427 3.010 20 10 EGCDLP CN(C)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000896198268 1309740657 /nfs/dbraw/zinc/74/06/57/1309740657.db2.gz NJYLEBVTFIHOES-UHFFFAOYSA-N 2 2 328.435 3.363 20 10 EGCDLP CCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(O)c1 ZINC000896197815 1309740757 /nfs/dbraw/zinc/74/07/57/1309740757.db2.gz IPFKYYFPPOMVTH-UHFFFAOYSA-N 2 2 327.428 3.262 20 10 EGCDLP CCCC[NH+]1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858116744 1328687323 /nfs/dbraw/zinc/68/73/23/1328687323.db2.gz ZLWCKQPCZAXENO-UHFFFAOYSA-N 2 2 325.447 3.385 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817889293 1319451478 /nfs/dbraw/zinc/45/14/78/1319451478.db2.gz SCMAVHJQZXFNBF-OLMMMNRUSA-N 2 2 349.494 3.060 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938548 1319466184 /nfs/dbraw/zinc/46/61/84/1319466184.db2.gz MWBGAUBSOXRBGT-MOPGFXCFSA-N 2 2 342.443 3.402 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938379 1319466340 /nfs/dbraw/zinc/46/63/40/1319466340.db2.gz JQDAEYLULBOFNB-SCLBCKFNSA-N 2 2 331.435 3.251 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938378 1319466460 /nfs/dbraw/zinc/46/64/60/1319466460.db2.gz JQDAEYLULBOFNB-FZKQIMNGSA-N 2 2 331.435 3.251 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942599 1319470147 /nfs/dbraw/zinc/47/01/47/1319470147.db2.gz PUZBYLFZUKRYMZ-MOPGFXCFSA-N 2 2 331.410 3.308 20 10 EGCDLP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944033 1319472222 /nfs/dbraw/zinc/47/22/22/1319472222.db2.gz WUNNYDJLOKUTDK-MJGOQNOKSA-N 2 2 330.451 3.273 20 10 EGCDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974189 1319482771 /nfs/dbraw/zinc/48/27/71/1319482771.db2.gz JCGGCTABIWYECL-OXJNMPFZSA-N 2 2 349.494 3.235 20 10 EGCDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975939 1319483788 /nfs/dbraw/zinc/48/37/88/1319483788.db2.gz ZZHMBZSTGMIENO-WIYYLYMNSA-N 2 2 345.531 3.486 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000818615040 1319570134 /nfs/dbraw/zinc/57/01/34/1319570134.db2.gz KYFNQQXKJWBQHT-FSPWUOQZSA-N 2 2 337.895 3.097 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000824988883 1320301551 /nfs/dbraw/zinc/30/15/51/1320301551.db2.gz SYDXGAFCBHALGJ-AGUYFDCRSA-N 2 2 339.277 3.178 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000824988883 1320301557 /nfs/dbraw/zinc/30/15/57/1320301557.db2.gz SYDXGAFCBHALGJ-AGUYFDCRSA-N 2 2 339.277 3.178 20 10 EGCDLP CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000841042762 1321207800 /nfs/dbraw/zinc/20/78/00/1321207800.db2.gz NMHIZWMKFGKSGZ-GOSISDBHSA-N 2 2 331.435 3.080 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000841044120 1321208566 /nfs/dbraw/zinc/20/85/66/1321208566.db2.gz TVFUPMCFYKCFFS-MRXNPFEDSA-N 2 2 335.398 3.144 20 10 EGCDLP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000844923396 1321658858 /nfs/dbraw/zinc/65/88/58/1321658858.db2.gz FZZFNFHGTRFZDB-JTQLQIEISA-N 2 2 345.256 3.334 20 10 EGCDLP CCc1cccc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1O ZINC000848899623 1322037451 /nfs/dbraw/zinc/03/74/51/1322037451.db2.gz QXOMBQVJIDSANK-SFHVURJKSA-N 2 2 340.471 3.102 20 10 EGCDLP CCOc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000849349666 1322115584 /nfs/dbraw/zinc/11/55/84/1322115584.db2.gz HIFUKVBMZRLTIP-RTBURBONSA-N 2 2 344.430 3.165 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557712 1322267713 /nfs/dbraw/zinc/26/77/13/1322267713.db2.gz RZOGXGWXDVKEKD-DNVCBOLYSA-N 2 2 344.499 3.175 20 10 EGCDLP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CCC[C@@H]1C[NH3+] ZINC001206021743 1370940686 /nfs/dbraw/zinc/94/06/86/1370940686.db2.gz AVDSFXQEKXRPKU-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CCC[C@@H]1C[NH3+] ZINC001206021743 1370940688 /nfs/dbraw/zinc/94/06/88/1370940688.db2.gz AVDSFXQEKXRPKU-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674240 1377931246 /nfs/dbraw/zinc/93/12/46/1377931246.db2.gz QTJYQTFNIYBZBQ-GOSISDBHSA-N 2 2 325.456 3.418 20 10 EGCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674240 1377931250 /nfs/dbraw/zinc/93/12/50/1377931250.db2.gz QTJYQTFNIYBZBQ-GOSISDBHSA-N 2 2 325.456 3.418 20 10 EGCDLP CCOc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)cc1 ZINC001140805864 1378143423 /nfs/dbraw/zinc/14/34/23/1378143423.db2.gz ONHDSKJKKTWZRC-UHFFFAOYSA-N 2 2 336.439 3.284 20 10 EGCDLP CCOc1cccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1O ZINC000076901245 454047343 /nfs/dbraw/zinc/04/73/43/454047343.db2.gz RCUOOBYJBKQVAX-UHFFFAOYSA-N 2 2 339.439 3.400 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(O)c1 ZINC000185053954 455493231 /nfs/dbraw/zinc/49/32/31/455493231.db2.gz WEWTVZNEHPJZOT-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000267371411 455548245 /nfs/dbraw/zinc/54/82/45/455548245.db2.gz KNFIOTFLAHJEHJ-GFCCVEGCSA-N 2 2 333.819 3.351 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1O ZINC000267371411 455548248 /nfs/dbraw/zinc/54/82/48/455548248.db2.gz KNFIOTFLAHJEHJ-GFCCVEGCSA-N 2 2 333.819 3.351 20 10 EGCDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)[nH+]c2)C1 ZINC000296967089 456077944 /nfs/dbraw/zinc/07/79/44/456077944.db2.gz RJULCPAYOGLGQA-IAGOWNOFSA-N 2 2 338.455 3.027 20 10 EGCDLP CCOc1cccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000289940849 456189302 /nfs/dbraw/zinc/18/93/02/456189302.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 2 2 332.444 3.338 20 10 EGCDLP CCOc1cccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000289940849 456189306 /nfs/dbraw/zinc/18/93/06/456189306.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 2 2 332.444 3.338 20 10 EGCDLP CCOc1cccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1O ZINC000289940849 456189310 /nfs/dbraw/zinc/18/93/10/456189310.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 2 2 332.444 3.338 20 10 EGCDLP CCOc1cccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1O ZINC000289940849 456189318 /nfs/dbraw/zinc/18/93/18/456189318.db2.gz XENZYKRWCVZUGF-UHFFFAOYSA-N 2 2 332.444 3.338 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000273414893 456229240 /nfs/dbraw/zinc/22/92/40/456229240.db2.gz QQEUBYQGHVAEEM-OAHLLOKOSA-N 2 2 337.423 3.496 20 10 EGCDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000275368089 456274279 /nfs/dbraw/zinc/27/42/79/456274279.db2.gz UZLFBXSWQPVPCX-RYUDHWBXSA-N 2 2 338.249 3.399 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000237270701 1296232888 /nfs/dbraw/zinc/23/28/88/1296232888.db2.gz CMRCMVVLQQKCRP-IBGZPJMESA-N 2 2 343.515 3.153 20 10 EGCDLP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)ccc1O ZINC000401780550 1297742332 /nfs/dbraw/zinc/74/23/32/1297742332.db2.gz PTTNKZRXTHPFBI-CQSZACIVSA-N 2 2 338.249 3.172 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)c(F)cc1O ZINC000756358939 1300476057 /nfs/dbraw/zinc/47/60/57/1300476057.db2.gz BKUUINVOZCWABO-LLVKDONJSA-N 2 2 345.256 3.430 20 10 EGCDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792170713 1309136556 /nfs/dbraw/zinc/13/65/56/1309136556.db2.gz WFRYOGQJXLQGRM-CYBMUJFWSA-N 2 2 344.858 3.117 20 10 EGCDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792170713 1309136562 /nfs/dbraw/zinc/13/65/62/1309136562.db2.gz WFRYOGQJXLQGRM-CYBMUJFWSA-N 2 2 344.858 3.117 20 10 EGCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817960417 1319477911 /nfs/dbraw/zinc/47/79/11/1319477911.db2.gz YRQCNIBIYZCKNY-ZJUUUORDSA-N 2 2 333.245 3.318 20 10 EGCDLP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938888 1319465978 /nfs/dbraw/zinc/46/59/78/1319465978.db2.gz VASHOIXSYWCZJE-RTWAWAEBSA-N 2 2 339.483 3.428 20 10 EGCDLP COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939101 1319466243 /nfs/dbraw/zinc/46/62/43/1319466243.db2.gz YWVUXMIWZXWCRF-DNVCBOLYSA-N 2 2 327.472 3.420 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939450 1319468488 /nfs/dbraw/zinc/46/84/88/1319468488.db2.gz BIMHSJWDWXKLRH-UXHICEINSA-N 2 2 325.456 3.125 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940040 1319468616 /nfs/dbraw/zinc/46/86/16/1319468616.db2.gz DYLZPUIWQJIDOP-KUHUBIRLSA-N 2 2 344.478 3.308 20 10 EGCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939879 1319469112 /nfs/dbraw/zinc/46/91/12/1319469112.db2.gz CYFOQOVNFBGADI-CRAIPNDOSA-N 2 2 327.472 3.426 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939535 1319469270 /nfs/dbraw/zinc/46/92/70/1319469270.db2.gz CKNQBUAOZXMVCM-DNVCBOLYSA-N 2 2 326.488 3.169 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(Cl)c1O ZINC000817951056 1319474634 /nfs/dbraw/zinc/47/46/34/1319474634.db2.gz AVDXQTUVODSRSE-INIZCTEOSA-N 2 2 346.862 3.413 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000817953656 1319475268 /nfs/dbraw/zinc/47/52/68/1319475268.db2.gz RONQCNGFJNVKSL-MRXNPFEDSA-N 2 2 346.862 3.413 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)c(F)cc1O ZINC000817960625 1319478479 /nfs/dbraw/zinc/47/84/79/1319478479.db2.gz OLFLWQBBERXISA-RBZYPMLTSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000817972202 1319482290 /nfs/dbraw/zinc/48/22/90/1319482290.db2.gz VDHABPBGGRXHBW-UTLUCORTSA-N 2 2 331.229 3.085 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045649 1321461172 /nfs/dbraw/zinc/46/11/72/1321461172.db2.gz ZGXFPBYFTQNGNB-CYBMUJFWSA-N 2 2 329.410 3.203 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045649 1321461177 /nfs/dbraw/zinc/46/11/77/1321461177.db2.gz ZGXFPBYFTQNGNB-CYBMUJFWSA-N 2 2 329.410 3.203 20 10 EGCDLP C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Br)c(F)cc1O ZINC000843340662 1321502069 /nfs/dbraw/zinc/50/20/69/1321502069.db2.gz DEEFPQWFJHONJR-JTQLQIEISA-N 2 2 333.245 3.464 20 10 EGCDLP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000844923398 1321658243 /nfs/dbraw/zinc/65/82/43/1321658243.db2.gz FZZFNFHGTRFZDB-SNVBAGLBSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557718 1322267727 /nfs/dbraw/zinc/26/77/27/1322267727.db2.gz RZOGXGWXDVKEKD-KXBFYZLASA-N 2 2 344.499 3.175 20 10 EGCDLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000854222478 1325230348 /nfs/dbraw/zinc/23/03/48/1325230348.db2.gz HESIOWOKPKMSQW-AWEZNQCLSA-N 2 2 337.895 3.099 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2c(O)cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638303 1370823574 /nfs/dbraw/zinc/82/35/74/1370823574.db2.gz MBMVVIJJOUQTRQ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2c(O)cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638303 1370823577 /nfs/dbraw/zinc/82/35/77/1370823577.db2.gz MBMVVIJJOUQTRQ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203655895 1370203502 /nfs/dbraw/zinc/20/35/02/1370203502.db2.gz DPPJDYVKBYOCIM-HOTGVXAUSA-N 2 2 343.858 3.004 20 10 EGCDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946476 1370613320 /nfs/dbraw/zinc/61/33/20/1370613320.db2.gz OPNHJJVRJAQXSS-FQEVSTJZSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946476 1370613324 /nfs/dbraw/zinc/61/33/24/1370613324.db2.gz OPNHJJVRJAQXSS-FQEVSTJZSA-N 2 2 326.440 3.284 20 10 EGCDLP Cc1cc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240170 1376944903 /nfs/dbraw/zinc/94/49/03/1376944903.db2.gz LJFNTBOYIBQBTI-CQSZACIVSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240170 1376944910 /nfs/dbraw/zinc/94/49/10/1376944910.db2.gz LJFNTBOYIBQBTI-CQSZACIVSA-N 2 2 339.277 3.180 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137837554 1377627087 /nfs/dbraw/zinc/62/70/87/1377627087.db2.gz LSOHADAFDOMNCB-IAGOWNOFSA-N 2 2 326.415 3.095 20 10 EGCDLP COc1cc(C[N@@H+]2CCc3c(F)cccc3C2)cc(C[NH+](C)C)c1O ZINC001139259333 1377858112 /nfs/dbraw/zinc/85/81/12/1377858112.db2.gz RMIUGIUKDCUARL-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP COc1cc(C[N@H+]2CCc3c(F)cccc3C2)cc(C[NH+](C)C)c1O ZINC001139259333 1377858118 /nfs/dbraw/zinc/85/81/18/1377858118.db2.gz RMIUGIUKDCUARL-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP CCC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184682589 455426917 /nfs/dbraw/zinc/42/69/17/455426917.db2.gz XUVUNCWHWCDBNT-UHFFFAOYSA-N 2 2 326.868 3.360 20 10 EGCDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184682589 455426920 /nfs/dbraw/zinc/42/69/20/455426920.db2.gz XUVUNCWHWCDBNT-UHFFFAOYSA-N 2 2 326.868 3.360 20 10 EGCDLP Oc1cc2c(cc1C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)OCO2 ZINC000063255911 454398985 /nfs/dbraw/zinc/39/89/85/454398985.db2.gz WVOMEPDPDWQDBE-KRWDZBQOSA-N 2 2 340.423 3.048 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000272797110 456071832 /nfs/dbraw/zinc/07/18/32/456071832.db2.gz ARABCHWZUHCGHP-HOCLYGCPSA-N 2 2 326.444 3.101 20 10 EGCDLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)[nH+]c2)C1 ZINC000296967082 456077873 /nfs/dbraw/zinc/07/78/73/456077873.db2.gz RJULCPAYOGLGQA-DLBZAZTESA-N 2 2 338.455 3.027 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1O ZINC000288443692 456095574 /nfs/dbraw/zinc/09/55/74/456095574.db2.gz MFKIIMWBIIIEGA-CRAIPNDOSA-N 2 2 326.440 3.153 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1O ZINC000288443692 456095581 /nfs/dbraw/zinc/09/55/81/456095581.db2.gz MFKIIMWBIIIEGA-CRAIPNDOSA-N 2 2 326.440 3.153 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000120652385 524764412 /nfs/dbraw/zinc/76/44/12/524764412.db2.gz TXOSBKFLUQBBSO-CYBMUJFWSA-N 2 2 325.412 3.410 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571792 1300524264 /nfs/dbraw/zinc/52/42/64/1300524264.db2.gz FOIRYDHZTIYTLP-BBRMVZONSA-N 2 2 338.879 3.340 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)[C@@H](C)C1 ZINC000886528087 1303488198 /nfs/dbraw/zinc/48/81/98/1303488198.db2.gz GSLJGJCTBKMUOF-ZOBUZTSGSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)[C@@H](C)C1 ZINC000886528087 1303488200 /nfs/dbraw/zinc/48/82/00/1303488200.db2.gz GSLJGJCTBKMUOF-ZOBUZTSGSA-N 2 2 338.467 3.319 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1O ZINC000779067380 1304525345 /nfs/dbraw/zinc/52/53/45/1304525345.db2.gz WNPQBYPQRNJNOO-PWSUYJOCSA-N 2 2 336.233 3.017 20 10 EGCDLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(Br)c2O)CC1 ZINC000788436028 1305940711 /nfs/dbraw/zinc/94/07/11/1305940711.db2.gz RBELDOIKLKDVQW-UHFFFAOYSA-N 2 2 339.277 3.215 20 10 EGCDLP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(Br)c2O)CC1 ZINC000788436028 1305940720 /nfs/dbraw/zinc/94/07/20/1305940720.db2.gz RBELDOIKLKDVQW-UHFFFAOYSA-N 2 2 339.277 3.215 20 10 EGCDLP Oc1c(F)cccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330853 /nfs/dbraw/zinc/33/08/53/1309330853.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1c(F)cccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330859 /nfs/dbraw/zinc/33/08/59/1309330859.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330867 /nfs/dbraw/zinc/33/08/67/1309330867.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330875 /nfs/dbraw/zinc/33/08/75/1309330875.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 2 2 326.415 3.095 20 10 EGCDLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000795955728 1309870581 /nfs/dbraw/zinc/87/05/81/1309870581.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 2 2 339.483 3.036 20 10 EGCDLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000795955728 1309870583 /nfs/dbraw/zinc/87/05/83/1309870583.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 2 2 339.483 3.036 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC34CCC4)CC2)cc1 ZINC000800473272 1310765044 /nfs/dbraw/zinc/76/50/44/1310765044.db2.gz PXSCHDLLPLPFHV-HXUWFJFHSA-N 2 2 343.515 3.130 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817961270 1319478140 /nfs/dbraw/zinc/47/81/40/1319478140.db2.gz ZVVZPUFMYGHAAS-VIFPVBQESA-N 2 2 333.245 3.462 20 10 EGCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938584 1319466914 /nfs/dbraw/zinc/46/69/14/1319466914.db2.gz NPQRMZISORFZEM-PMACEKPBSA-N 2 2 339.483 3.428 20 10 EGCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938549 1319467425 /nfs/dbraw/zinc/46/74/25/1319467425.db2.gz MWBGAUBSOXRBGT-OALUTQOASA-N 2 2 342.443 3.402 20 10 EGCDLP COc1ncc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944082 1319471372 /nfs/dbraw/zinc/47/13/72/1319471372.db2.gz XGDDANOYEQRGQG-SJKOYZFVSA-N 2 2 348.878 3.160 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961024 1319477765 /nfs/dbraw/zinc/47/77/65/1319477765.db2.gz WJWVUEROELUOGB-CQSZACIVSA-N 2 2 339.911 3.345 20 10 EGCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817960411 1319478062 /nfs/dbraw/zinc/47/80/62/1319478062.db2.gz YRQCNIBIYZCKNY-NXEZZACHSA-N 2 2 333.245 3.318 20 10 EGCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817960413 1319478533 /nfs/dbraw/zinc/47/85/33/1319478533.db2.gz YRQCNIBIYZCKNY-UWVGGRQHSA-N 2 2 333.245 3.318 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCC3CC3)cc2)cc1 ZINC000841042779 1321207750 /nfs/dbraw/zinc/20/77/50/1321207750.db2.gz OCXPPYPQWGLCER-OAQYLSRUSA-N 2 2 339.483 3.331 20 10 EGCDLP CC(C)(C)c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(O)c(C(C)(C)C)c1 ZINC000841101647 1321218667 /nfs/dbraw/zinc/21/86/67/1321218667.db2.gz XZXBHIZEKPJECQ-MRXNPFEDSA-N 2 2 334.504 3.065 20 10 EGCDLP C[C@H]([NH2+]CCCCCC[NH3+])c1cc(Br)cc(F)c1O ZINC000843342748 1321503002 /nfs/dbraw/zinc/50/30/02/1321503002.db2.gz TWPFTNPFNWAGHP-JTQLQIEISA-N 2 2 333.245 3.464 20 10 EGCDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000848576106 1321978462 /nfs/dbraw/zinc/97/84/62/1321978462.db2.gz ZVCRTXRENMTDBQ-RBUKOAKNSA-N 2 2 332.488 3.338 20 10 EGCDLP CCOCc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000848576106 1321978468 /nfs/dbraw/zinc/97/84/68/1321978468.db2.gz ZVCRTXRENMTDBQ-RBUKOAKNSA-N 2 2 332.488 3.338 20 10 EGCDLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000854222479 1325230855 /nfs/dbraw/zinc/23/08/55/1325230855.db2.gz HESIOWOKPKMSQW-CQSZACIVSA-N 2 2 337.895 3.099 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001206325274 1371023945 /nfs/dbraw/zinc/02/39/45/1371023945.db2.gz GXZYRUVNXKTUCX-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001206325274 1371023951 /nfs/dbraw/zinc/02/39/51/1371023951.db2.gz GXZYRUVNXKTUCX-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572587 1371096586 /nfs/dbraw/zinc/09/65/86/1371096586.db2.gz CUOSKBCGOXIMBK-MRXNPFEDSA-N 2 2 341.293 3.414 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880859 1370298426 /nfs/dbraw/zinc/29/84/26/1370298426.db2.gz JFPSFAOUPKEIMF-OALUTQOASA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880859 1370298428 /nfs/dbraw/zinc/29/84/28/1370298428.db2.gz JFPSFAOUPKEIMF-OALUTQOASA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880859 1370298431 /nfs/dbraw/zinc/29/84/31/1370298431.db2.gz JFPSFAOUPKEIMF-OALUTQOASA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880859 1370298434 /nfs/dbraw/zinc/29/84/34/1370298434.db2.gz JFPSFAOUPKEIMF-OALUTQOASA-N 2 2 338.451 3.052 20 10 EGCDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2ccc(O)cc2O)CC1 ZINC001204280648 1370431186 /nfs/dbraw/zinc/43/11/86/1370431186.db2.gz AEWGQVJDGYTKGI-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(O)cc2O)CC1 ZINC001204280648 1370431191 /nfs/dbraw/zinc/43/11/91/1370431191.db2.gz AEWGQVJDGYTKGI-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001206026325 1370941957 /nfs/dbraw/zinc/94/19/57/1370941957.db2.gz RWFOAFSPDDENSJ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CCC[C@@H]1C[NH3+] ZINC001206026325 1370941960 /nfs/dbraw/zinc/94/19/60/1370941960.db2.gz RWFOAFSPDDENSJ-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1 ZINC001206572587 1371096581 /nfs/dbraw/zinc/09/65/81/1371096581.db2.gz CUOSKBCGOXIMBK-MRXNPFEDSA-N 2 2 341.293 3.414 20 10 EGCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232268094 1376427197 /nfs/dbraw/zinc/42/71/97/1376427197.db2.gz LXGDWXMODCPWTF-CQSZACIVSA-N 2 2 334.803 3.103 20 10 EGCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232268094 1376427201 /nfs/dbraw/zinc/42/72/01/1376427201.db2.gz LXGDWXMODCPWTF-CQSZACIVSA-N 2 2 334.803 3.103 20 10 EGCDLP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113245 1376846697 /nfs/dbraw/zinc/84/66/97/1376846697.db2.gz AWWWMCYBPRRRLG-NRFANRHFSA-N 2 2 339.483 3.049 20 10 EGCDLP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113245 1376846705 /nfs/dbraw/zinc/84/67/05/1376846705.db2.gz AWWWMCYBPRRRLG-NRFANRHFSA-N 2 2 339.483 3.049 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c2c1 ZINC001235119848 1376851304 /nfs/dbraw/zinc/85/13/04/1376851304.db2.gz SRHCRLSRCCPQLG-FQEVSTJZSA-N 2 2 326.440 3.272 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c2c1 ZINC001235119848 1376851309 /nfs/dbraw/zinc/85/13/09/1376851309.db2.gz SRHCRLSRCCPQLG-FQEVSTJZSA-N 2 2 326.440 3.272 20 10 EGCDLP CN(C)c1ccc(C[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236270918 1376947924 /nfs/dbraw/zinc/94/79/24/1376947924.db2.gz PILXEVBEKJWMQX-FQEVSTJZSA-N 2 2 339.483 3.212 20 10 EGCDLP CN(C)c1ccc(C[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236270918 1376947927 /nfs/dbraw/zinc/94/79/27/1376947927.db2.gz PILXEVBEKJWMQX-FQEVSTJZSA-N 2 2 339.483 3.212 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627916 /nfs/dbraw/zinc/62/79/16/1377627916.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627918 /nfs/dbraw/zinc/62/79/18/1377627918.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627922 /nfs/dbraw/zinc/62/79/22/1377627922.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839586 1377627925 /nfs/dbraw/zinc/62/79/25/1377627925.db2.gz DXSKMFSRHCPOGM-QZTJIDSGSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628843 /nfs/dbraw/zinc/62/88/43/1377628843.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628847 /nfs/dbraw/zinc/62/88/47/1377628847.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628850 /nfs/dbraw/zinc/62/88/50/1377628850.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839587 1377628851 /nfs/dbraw/zinc/62/88/51/1377628851.db2.gz DXSKMFSRHCPOGM-ROUUACIJSA-N 2 2 340.442 3.485 20 10 EGCDLP C[N@@H+](Cc1cc(Br)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC001144299633 1378712746 /nfs/dbraw/zinc/71/27/46/1378712746.db2.gz DAJJLARVFHMUQC-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[N@H+](Cc1cc(Br)c(F)cc1O)CC1CC[NH+](C)CC1 ZINC001144299633 1378712747 /nfs/dbraw/zinc/71/27/47/1378712747.db2.gz DAJJLARVFHMUQC-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC000131863381 454293052 /nfs/dbraw/zinc/29/30/52/454293052.db2.gz VOUUODRMUWKCAA-IBGZPJMESA-N 2 2 333.520 3.230 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000134886473 454603945 /nfs/dbraw/zinc/60/39/45/454603945.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000134886473 454603948 /nfs/dbraw/zinc/60/39/48/454603948.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000134886473 454603952 /nfs/dbraw/zinc/60/39/52/454603952.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000134886473 454603957 /nfs/dbraw/zinc/60/39/57/454603957.db2.gz IBZPWEMWGOSHGS-AUUYWEPGSA-N 2 2 346.446 3.183 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C)o3)cc2F)CC1 ZINC000106487149 454696466 /nfs/dbraw/zinc/69/64/66/454696466.db2.gz UEHYPXNVFNQRNW-UHFFFAOYSA-N 2 2 331.435 3.159 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000126345040 454887853 /nfs/dbraw/zinc/88/78/53/454887853.db2.gz IMKMGXJCRBRHST-OAHLLOKOSA-N 2 2 335.455 3.493 20 10 EGCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191464027 455487563 /nfs/dbraw/zinc/48/75/63/455487563.db2.gz BXLHZAJGLLRRCW-GFCCVEGCSA-N 2 2 337.826 3.373 20 10 EGCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191464027 455487567 /nfs/dbraw/zinc/48/75/67/455487567.db2.gz BXLHZAJGLLRRCW-GFCCVEGCSA-N 2 2 337.826 3.373 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000151861839 455041483 /nfs/dbraw/zinc/04/14/83/455041483.db2.gz VSAPURSKJJDOEM-QGZVFWFLSA-N 2 2 331.504 3.128 20 10 EGCDLP Oc1ccccc1C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCCO1 ZINC000183513059 455301674 /nfs/dbraw/zinc/30/16/74/455301674.db2.gz LJSUMGRVUOCITM-SFHVURJKSA-N 2 2 337.423 3.221 20 10 EGCDLP Oc1ccccc1C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CCCO1 ZINC000183513059 455301678 /nfs/dbraw/zinc/30/16/78/455301678.db2.gz LJSUMGRVUOCITM-SFHVURJKSA-N 2 2 337.423 3.221 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(O)c1 ZINC000185063414 455493907 /nfs/dbraw/zinc/49/39/07/455493907.db2.gz YCEHZLGECKZMNG-KRWDZBQOSA-N 2 2 340.467 3.384 20 10 EGCDLP Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000275368081 456274146 /nfs/dbraw/zinc/27/41/46/456274146.db2.gz UZLFBXSWQPVPCX-NEPJUHHUSA-N 2 2 338.249 3.399 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CC1 ZINC000808681161 1317715637 /nfs/dbraw/zinc/71/56/37/1317715637.db2.gz VUSPNBWPNDKBIY-CYBMUJFWSA-N 2 2 326.868 3.115 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817889299 1319451313 /nfs/dbraw/zinc/45/13/13/1319451313.db2.gz SCMAVHJQZXFNBF-YYAJDYIMSA-N 2 2 349.494 3.060 20 10 EGCDLP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1 ZINC000817939881 1319468705 /nfs/dbraw/zinc/46/87/05/1319468705.db2.gz CYFOQOVNFBGADI-QAPCUYQASA-N 2 2 327.472 3.426 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943923 1319471422 /nfs/dbraw/zinc/47/14/22/1319471422.db2.gz WTXDDQRSWGWEIK-JXFKEZNVSA-N 2 2 349.482 3.289 20 10 EGCDLP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944034 1319472430 /nfs/dbraw/zinc/47/24/30/1319472430.db2.gz WUNNYDJLOKUTDK-PKOBYXMFSA-N 2 2 330.451 3.273 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000817972199 1319481410 /nfs/dbraw/zinc/48/14/10/1319481410.db2.gz VDHABPBGGRXHBW-BBBLOLIVSA-N 2 2 331.229 3.085 20 10 EGCDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974188 1319482516 /nfs/dbraw/zinc/48/25/16/1319482516.db2.gz JCGGCTABIWYECL-JXFKEZNVSA-N 2 2 349.494 3.235 20 10 EGCDLP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)cc(F)c1O ZINC000817984377 1319485350 /nfs/dbraw/zinc/48/53/50/1319485350.db2.gz RMVMDVUWOBRPCJ-VIFPVBQESA-N 2 2 331.229 3.087 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000843123487 1321473196 /nfs/dbraw/zinc/47/31/96/1321473196.db2.gz KLTWHSINXMHCBZ-ZDUSSCGKSA-N 2 2 327.266 3.166 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000843123487 1321473200 /nfs/dbraw/zinc/47/32/00/1321473200.db2.gz KLTWHSINXMHCBZ-ZDUSSCGKSA-N 2 2 327.266 3.166 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557137 1322266326 /nfs/dbraw/zinc/26/63/26/1322266326.db2.gz LLBZZGWCZIDZMY-UXHICEINSA-N 2 2 331.504 3.047 20 10 EGCDLP C[N@H+](Cc1ccc(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001204277306 1370429139 /nfs/dbraw/zinc/42/91/39/1370429139.db2.gz YOLMLAUQHQQFMV-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@@H+](Cc1ccc(O)cc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001204277306 1370429142 /nfs/dbraw/zinc/42/91/42/1370429142.db2.gz YOLMLAUQHQQFMV-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275261 1370429349 /nfs/dbraw/zinc/42/93/49/1370429349.db2.gz NIJUBGUMGHNVLZ-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204275261 1370429352 /nfs/dbraw/zinc/42/93/52/1370429352.db2.gz NIJUBGUMGHNVLZ-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)c1 ZINC001231871337 1376333448 /nfs/dbraw/zinc/33/34/48/1376333448.db2.gz IYTLUVDAHSZZPG-UHFFFAOYSA-N 2 2 347.846 3.080 20 10 EGCDLP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903026 1376915680 /nfs/dbraw/zinc/91/56/80/1376915680.db2.gz HRWPTZAQTQPOEC-QAPCUYQASA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903026 1376915686 /nfs/dbraw/zinc/91/56/86/1376915686.db2.gz HRWPTZAQTQPOEC-QAPCUYQASA-N 2 2 326.440 3.283 20 10 EGCDLP CC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC001235969374 1376923819 /nfs/dbraw/zinc/92/38/19/1376923819.db2.gz CDIXVSVIHWQXIC-AWEZNQCLSA-N 2 2 349.272 3.492 20 10 EGCDLP CC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC001235969374 1376923826 /nfs/dbraw/zinc/92/38/26/1376923826.db2.gz CDIXVSVIHWQXIC-AWEZNQCLSA-N 2 2 349.272 3.492 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208224 1376941620 /nfs/dbraw/zinc/94/16/20/1376941620.db2.gz UFTSKJUIHVSGGV-OAHLLOKOSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208224 1376941627 /nfs/dbraw/zinc/94/16/27/1376941627.db2.gz UFTSKJUIHVSGGV-OAHLLOKOSA-N 2 2 327.266 3.037 20 10 EGCDLP COc1cc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc(C[NH+](C)C)c1O ZINC001139257860 1377858277 /nfs/dbraw/zinc/85/82/77/1377858277.db2.gz IZWLWWUWOCXALI-OAHLLOKOSA-N 2 2 347.484 3.256 20 10 EGCDLP COc1cc(C[N@H+]2CCC[C@@H]2c2nccs2)cc(C[NH+](C)C)c1O ZINC001139257860 1377858285 /nfs/dbraw/zinc/85/82/85/1377858285.db2.gz IZWLWWUWOCXALI-OAHLLOKOSA-N 2 2 347.484 3.256 20 10 EGCDLP Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(C(C)C)[nH+]1 ZINC001156650696 1380604262 /nfs/dbraw/zinc/60/42/62/1380604262.db2.gz CGKMBYQPDVJPSJ-UHFFFAOYSA-N 2 2 339.487 3.272 20 10 EGCDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1[NH+](C)C ZINC001167436932 1383633645 /nfs/dbraw/zinc/63/36/45/1383633645.db2.gz HRDYJYWFXSXIDA-UHFFFAOYSA-N 2 2 338.499 3.425 20 10 EGCDLP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071295 454516257 /nfs/dbraw/zinc/51/62/57/454516257.db2.gz RUCHNTQMSCILDL-NSHDSACASA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092071295 454516259 /nfs/dbraw/zinc/51/62/59/454516259.db2.gz RUCHNTQMSCILDL-NSHDSACASA-N 2 2 336.233 3.257 20 10 EGCDLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2c1c(F)ccc2O ZINC000756402658 1300484103 /nfs/dbraw/zinc/48/41/03/1300484103.db2.gz NOFMYBUXIGPQCK-IUODEOHRSA-N 2 2 329.419 3.445 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000757659125 1300706276 /nfs/dbraw/zinc/70/62/76/1300706276.db2.gz WSJRMIBAIGXYTP-CABCVRRESA-N 2 2 334.460 3.094 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950783 1319475123 /nfs/dbraw/zinc/47/51/23/1319475123.db2.gz YULRBVLULMLHLI-GXTWGEPZSA-N 2 2 327.266 3.338 20 10 EGCDLP CSC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CC[NH+](C)CC1 ZINC000811513275 1318190574 /nfs/dbraw/zinc/19/05/74/1318190574.db2.gz FOINJCMNQWBHEC-UHFFFAOYSA-N 2 2 332.872 3.102 20 10 EGCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817889289 1319451399 /nfs/dbraw/zinc/45/13/99/1319451399.db2.gz SCMAVHJQZXFNBF-JEWRLFTDSA-N 2 2 349.494 3.060 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817889290 1319452278 /nfs/dbraw/zinc/45/22/78/1319452278.db2.gz SCMAVHJQZXFNBF-NNFUDEMPSA-N 2 2 349.494 3.060 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940038 1319468962 /nfs/dbraw/zinc/46/89/62/1319468962.db2.gz DYLZPUIWQJIDOP-IFXJQAMLSA-N 2 2 344.478 3.308 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942221 1319469621 /nfs/dbraw/zinc/46/96/21/1319469621.db2.gz NAWKIKPMINZRSA-MOPGFXCFSA-N 2 2 328.435 3.027 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000817943552 1319469888 /nfs/dbraw/zinc/46/98/88/1319469888.db2.gz VJQVRKTVBZERCF-OALUTQOASA-N 2 2 325.456 3.125 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@H]1CCC[NH2+]C1 ZINC000817946643 1319471857 /nfs/dbraw/zinc/47/18/57/1319471857.db2.gz CCINUAQYAYKBGC-VWYCJHECSA-N 2 2 345.256 3.333 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)cc(F)c1O ZINC000817961194 1319478173 /nfs/dbraw/zinc/47/81/73/1319478173.db2.gz VGIPOMKKYVVBOH-PKFCDNJMSA-N 2 2 345.256 3.462 20 10 EGCDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046736 1321461207 /nfs/dbraw/zinc/46/12/07/1321461207.db2.gz ADJUJZOXEPXRGG-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843046736 1321461208 /nfs/dbraw/zinc/46/12/08/1321461208.db2.gz ADJUJZOXEPXRGG-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364384 1321506744 /nfs/dbraw/zinc/50/67/44/1321506744.db2.gz GRDUQDBVVBXSTJ-FUHWJXTLSA-N 2 2 339.483 3.254 20 10 EGCDLP Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364384 1321506750 /nfs/dbraw/zinc/50/67/50/1321506750.db2.gz GRDUQDBVVBXSTJ-FUHWJXTLSA-N 2 2 339.483 3.254 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000848568317 1321978211 /nfs/dbraw/zinc/97/82/11/1321978211.db2.gz FNTRXCAYSYVDEV-SFTDATJTSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000848568317 1321978215 /nfs/dbraw/zinc/97/82/15/1321978215.db2.gz FNTRXCAYSYVDEV-SFTDATJTSA-N 2 2 343.515 3.271 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012742 1370937982 /nfs/dbraw/zinc/93/79/82/1370937982.db2.gz NKVWVATVXJOOBL-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012742 1370937985 /nfs/dbraw/zinc/93/79/85/1370937985.db2.gz NKVWVATVXJOOBL-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001116445521 1370912859 /nfs/dbraw/zinc/91/28/59/1370912859.db2.gz SYCQIMSGUJGWNK-HNNXBMFYSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1cccc(O)c1C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001116445521 1370912865 /nfs/dbraw/zinc/91/28/65/1370912865.db2.gz SYCQIMSGUJGWNK-HNNXBMFYSA-N 2 2 327.428 3.181 20 10 EGCDLP CCN(CC)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC001140856244 1378159311 /nfs/dbraw/zinc/15/93/11/1378159311.db2.gz VIZWWCTWNPIGPH-UHFFFAOYSA-N 2 2 328.460 3.272 20 10 EGCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181269 1386550293 /nfs/dbraw/zinc/55/02/93/1386550293.db2.gz VYYSHVNZHAHBAO-LJQANCHMSA-N 2 2 338.499 3.475 20 10 EGCDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181269 1386550296 /nfs/dbraw/zinc/55/02/96/1386550296.db2.gz VYYSHVNZHAHBAO-LJQANCHMSA-N 2 2 338.499 3.475 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000162227677 454760808 /nfs/dbraw/zinc/76/08/08/454760808.db2.gz BIFSNFOBGFRJON-KRWDZBQOSA-N 2 2 338.499 3.463 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000156775494 455149633 /nfs/dbraw/zinc/14/96/33/455149633.db2.gz WMTCQEMKXXBJSV-YJBOKZPZSA-N 2 2 326.440 3.011 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1O ZINC000185069313 455496208 /nfs/dbraw/zinc/49/62/08/455496208.db2.gz BQCROHLPIIFNGJ-AWEZNQCLSA-N 2 2 329.419 3.242 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Cl)ccc1O ZINC000273480062 456233143 /nfs/dbraw/zinc/23/31/43/456233143.db2.gz LVLFOCFTUUSPHC-ULFGMLNVSA-N 2 2 338.879 3.074 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495335 457763064 /nfs/dbraw/zinc/76/30/64/457763064.db2.gz RRMPVMUOBHGXJN-TUAOUCFPSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495335 457763071 /nfs/dbraw/zinc/76/30/71/457763071.db2.gz RRMPVMUOBHGXJN-TUAOUCFPSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217165 457801357 /nfs/dbraw/zinc/80/13/57/457801357.db2.gz DSFUMCUDNPSHFM-DZFGPLHGSA-N 2 2 343.515 3.191 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217165 457801363 /nfs/dbraw/zinc/80/13/63/457801363.db2.gz DSFUMCUDNPSHFM-DZFGPLHGSA-N 2 2 343.515 3.191 20 10 EGCDLP C[C@@H](C[NH2+]Cc1cccc(Br)c1O)C[NH+]1CCCCC1 ZINC000048797560 1291618249 /nfs/dbraw/zinc/61/82/49/1291618249.db2.gz HAIVQMTYHHMXQE-ZDUSSCGKSA-N 2 2 341.293 3.366 20 10 EGCDLP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482872 1300503398 /nfs/dbraw/zinc/50/33/98/1300503398.db2.gz JQEKBSHVIDJVAQ-HZSPNIEDSA-N 2 2 342.430 3.210 20 10 EGCDLP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482872 1300503401 /nfs/dbraw/zinc/50/34/01/1300503401.db2.gz JQEKBSHVIDJVAQ-HZSPNIEDSA-N 2 2 342.430 3.210 20 10 EGCDLP COc1cc(C)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000895705427 1309476109 /nfs/dbraw/zinc/47/61/09/1309476109.db2.gz ACGFFCJHHJDWDE-SFHVURJKSA-N 2 2 337.423 3.437 20 10 EGCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817889295 1319452183 /nfs/dbraw/zinc/45/21/83/1319452183.db2.gz SCMAVHJQZXFNBF-RCJHGTSTSA-N 2 2 349.494 3.060 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938377 1319466410 /nfs/dbraw/zinc/46/64/10/1319466410.db2.gz JQDAEYLULBOFNB-ACJLOTCBSA-N 2 2 331.435 3.251 20 10 EGCDLP COc1cccc2c1CC[C@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938760 1319466730 /nfs/dbraw/zinc/46/67/30/1319466730.db2.gz RPDBQDFNZXIEQK-RBUKOAKNSA-N 2 2 325.456 3.038 20 10 EGCDLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817941366 1319469904 /nfs/dbraw/zinc/46/99/04/1319469904.db2.gz JMESZQMERRKEHE-VLIAUNLRSA-N 2 2 340.471 3.062 20 10 EGCDLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941408 1319469958 /nfs/dbraw/zinc/46/99/58/1319469958.db2.gz JREPORAIAJJEFE-GUDVDZBRSA-N 2 2 331.504 3.080 20 10 EGCDLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942841 1319470748 /nfs/dbraw/zinc/47/07/48/1319470748.db2.gz RFQPTFLLROHOTK-IFXJQAMLSA-N 2 2 329.492 3.189 20 10 EGCDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972988 1319482669 /nfs/dbraw/zinc/48/26/69/1319482669.db2.gz AQSAQSRGFQCLSG-XLIONFOSSA-N 2 2 331.504 3.096 20 10 EGCDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000825125074 1320313067 /nfs/dbraw/zinc/31/30/67/1320313067.db2.gz GBOVJSDTQGERCZ-UHFFFAOYSA-N 2 2 339.277 3.119 20 10 EGCDLP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841041574 1321207279 /nfs/dbraw/zinc/20/72/79/1321207279.db2.gz DYGZNLWJUGSIKV-HXUWFJFHSA-N 2 2 349.482 3.241 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841041373 1321207476 /nfs/dbraw/zinc/20/74/76/1321207476.db2.gz HOSGXVCMUCJAMC-IIAWOOMASA-N 2 2 329.410 3.463 20 10 EGCDLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843123737 1321473059 /nfs/dbraw/zinc/47/30/59/1321473059.db2.gz OXRDFPPZHYUQJJ-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843123737 1321473060 /nfs/dbraw/zinc/47/30/60/1321473060.db2.gz OXRDFPPZHYUQJJ-INIZCTEOSA-N 2 2 339.277 3.039 20 10 EGCDLP C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)[C@H]1CC[NH3+] ZINC000844902321 1321656192 /nfs/dbraw/zinc/65/61/92/1321656192.db2.gz PGTKXOCCFKXLDA-RISCZKNCSA-N 2 2 327.266 3.104 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001203655717 1370203514 /nfs/dbraw/zinc/20/35/14/1370203514.db2.gz BHUUKMPKRKVVAP-IAGOWNOFSA-N 2 2 343.858 3.004 20 10 EGCDLP Cc1cc(Br)cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c1O ZINC001228557294 1375597261 /nfs/dbraw/zinc/59/72/61/1375597261.db2.gz WMYUKLQSAZANEG-UHFFFAOYSA-N 2 2 339.277 3.181 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137837555 1377626982 /nfs/dbraw/zinc/62/69/82/1377626982.db2.gz LSOHADAFDOMNCB-IRXDYDNUSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001140062726 1377999578 /nfs/dbraw/zinc/99/95/78/1377999578.db2.gz FJROBWMNLISXER-HUUCEWRRSA-N 2 2 332.444 3.157 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001140304439 1378042843 /nfs/dbraw/zinc/04/28/43/1378042843.db2.gz PPSYVVWFWLXZNK-UHFFFAOYSA-N 2 2 339.458 3.483 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001140304439 1378042844 /nfs/dbraw/zinc/04/28/44/1378042844.db2.gz PPSYVVWFWLXZNK-UHFFFAOYSA-N 2 2 339.458 3.483 20 10 EGCDLP CC[N@H+](C)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078932 1378234248 /nfs/dbraw/zinc/23/42/48/1378234248.db2.gz NXFIKBGYNYEKRW-UHFFFAOYSA-N 2 2 327.516 3.302 20 10 EGCDLP CC[N@@H+](C)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078932 1378234251 /nfs/dbraw/zinc/23/42/51/1378234251.db2.gz NXFIKBGYNYEKRW-UHFFFAOYSA-N 2 2 327.516 3.302 20 10 EGCDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162068 1378255003 /nfs/dbraw/zinc/25/50/03/1378255003.db2.gz LAIOIVBTXFALIA-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162068 1378255009 /nfs/dbraw/zinc/25/50/09/1378255009.db2.gz LAIOIVBTXFALIA-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000134886494 454603473 /nfs/dbraw/zinc/60/34/73/454603473.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1O ZINC000134886494 454603477 /nfs/dbraw/zinc/60/34/77/454603477.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000134886494 454603481 /nfs/dbraw/zinc/60/34/81/454603481.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000134886494 454603485 /nfs/dbraw/zinc/60/34/85/454603485.db2.gz IBZPWEMWGOSHGS-KUHUBIRLSA-N 2 2 346.446 3.183 20 10 EGCDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc2ccccc2c1O ZINC000185505077 455569528 /nfs/dbraw/zinc/56/95/28/455569528.db2.gz YLQUIWSEUOXPPF-JKSUJKDBSA-N 2 2 328.456 3.164 20 10 EGCDLP C[N@@H+](Cc1ccccc1O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278558646 455840410 /nfs/dbraw/zinc/84/04/10/455840410.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 2 340.467 3.115 20 10 EGCDLP C[N@H+](Cc1ccccc1O)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000278558646 455840415 /nfs/dbraw/zinc/84/04/15/455840415.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 2 340.467 3.115 20 10 EGCDLP C[NH+](Cc1ccccc1O)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278558646 455840417 /nfs/dbraw/zinc/84/04/17/455840417.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 2 340.467 3.115 20 10 EGCDLP C[NH+](Cc1ccccc1O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278558646 455840422 /nfs/dbraw/zinc/84/04/22/455840422.db2.gz IDWACTHBTZLGFR-HXUWFJFHSA-N 2 2 340.467 3.115 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495321 457763511 /nfs/dbraw/zinc/76/35/11/457763511.db2.gz RRMPVMUOBHGXJN-QJPTWQEYSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495321 457763520 /nfs/dbraw/zinc/76/35/20/457763520.db2.gz RRMPVMUOBHGXJN-QJPTWQEYSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756405177 576101015 /nfs/dbraw/zinc/10/10/15/576101015.db2.gz XQPXKVYOOULSOB-ZJUUUORDSA-N 2 2 342.212 3.230 20 10 EGCDLP C[NH+](C)C1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715745068 1298285987 /nfs/dbraw/zinc/28/59/87/1298285987.db2.gz NJMSXGFRRQRYNL-UHFFFAOYSA-N 2 2 345.256 3.256 20 10 EGCDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715828975 1298289268 /nfs/dbraw/zinc/28/92/68/1298289268.db2.gz QTIFIXKRTFJVQZ-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715828975 1298289280 /nfs/dbraw/zinc/28/92/80/1298289280.db2.gz QTIFIXKRTFJVQZ-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756503738 1300509803 /nfs/dbraw/zinc/50/98/03/1300509803.db2.gz LZPYYMFPHMQJSD-NXEZZACHSA-N 2 2 333.245 3.285 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)on3)cc2F)CC1 ZINC000788595482 1305977781 /nfs/dbraw/zinc/97/77/81/1305977781.db2.gz UMAQAIUXMQJILF-HNNXBMFYSA-N 2 2 346.450 3.115 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904460935 1317850515 /nfs/dbraw/zinc/85/05/15/1317850515.db2.gz BYYZNEQWMRNPPV-HZPDHXFCSA-N 2 2 347.256 3.177 20 10 EGCDLP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000809755542 1317891391 /nfs/dbraw/zinc/89/13/91/1317891391.db2.gz JXGJMRMKNWMOIW-ZDUSSCGKSA-N 2 2 326.843 3.348 20 10 EGCDLP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000809755542 1317891399 /nfs/dbraw/zinc/89/13/99/1317891399.db2.gz JXGJMRMKNWMOIW-ZDUSSCGKSA-N 2 2 326.843 3.348 20 10 EGCDLP COCCC[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816545349 1319180143 /nfs/dbraw/zinc/18/01/43/1319180143.db2.gz NASVKJOTCZGDNM-UHFFFAOYSA-N 2 2 328.456 3.136 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939294 1319466503 /nfs/dbraw/zinc/46/65/03/1319466503.db2.gz BAWGMGZGQGYSHR-MOPGFXCFSA-N 2 2 343.446 3.395 20 10 EGCDLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817940647 1319468175 /nfs/dbraw/zinc/46/81/75/1319468175.db2.gz GKCFSBJEYCTBAJ-HOTGVXAUSA-N 2 2 330.501 3.185 20 10 EGCDLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940274 1319468502 /nfs/dbraw/zinc/46/85/02/1319468502.db2.gz FHXQBWWQAARFTC-YSGRDPCXSA-N 2 2 327.472 3.118 20 10 EGCDLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940277 1319468896 /nfs/dbraw/zinc/46/88/96/1319468896.db2.gz FIQGCHWUOOUOLX-OXJNMPFZSA-N 2 2 326.488 3.148 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)c(F)cc1O ZINC000817960623 1319478554 /nfs/dbraw/zinc/47/85/54/1319478554.db2.gz OLFLWQBBERXISA-PKFCDNJMSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817965739 1319480015 /nfs/dbraw/zinc/48/00/15/1319480015.db2.gz ZPMSJECVUNBDDM-JTQLQIEISA-N 2 2 345.256 3.334 20 10 EGCDLP CC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000817974942 1319482563 /nfs/dbraw/zinc/48/25/63/1319482563.db2.gz OOBNEPIGMXYUOY-HNNXBMFYSA-N 2 2 326.868 3.103 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1O ZINC000817976569 1319483771 /nfs/dbraw/zinc/48/37/71/1319483771.db2.gz NUFVIWOQMOUTNW-RNCFNFMXSA-N 2 2 343.240 3.087 20 10 EGCDLP Cc1cc(Br)cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1O ZINC000841037399 1321206242 /nfs/dbraw/zinc/20/62/42/1321206242.db2.gz PSHFRSDRDJFRKZ-OAHLLOKOSA-N 2 2 335.245 3.253 20 10 EGCDLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841038171 1321206413 /nfs/dbraw/zinc/20/64/13/1321206413.db2.gz GTWMZENVPHUAEF-INIZCTEOSA-N 2 2 334.464 3.048 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000841040981 1321207994 /nfs/dbraw/zinc/20/79/94/1321207994.db2.gz WTKUBGMAVFRPRP-QGZVFWFLSA-N 2 2 348.288 3.305 20 10 EGCDLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841043949 1321208261 /nfs/dbraw/zinc/20/82/61/1321208261.db2.gz RRCCSANMACSPFO-QGZVFWFLSA-N 2 2 333.863 3.204 20 10 EGCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000850558082 1322267038 /nfs/dbraw/zinc/26/70/38/1322267038.db2.gz PUBYWGSVDQGONZ-BBRMVZONSA-N 2 2 338.879 3.258 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236843237 1376966997 /nfs/dbraw/zinc/96/69/97/1376966997.db2.gz MDYCTPWOOBNNHW-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236843237 1376967002 /nfs/dbraw/zinc/96/70/02/1376967002.db2.gz MDYCTPWOOBNNHW-LLVKDONJSA-N 2 2 345.256 3.115 20 10 EGCDLP CCOc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1O ZINC001203603040 1370184906 /nfs/dbraw/zinc/18/49/06/1370184906.db2.gz HEHUPTZJIKBRAJ-UHFFFAOYSA-N 2 2 328.412 3.229 20 10 EGCDLP Cc1cccc(N2CCC[N@H+](Cc3cc(Cl)ccc3O)CC2)[nH+]1 ZINC001203664287 1370207353 /nfs/dbraw/zinc/20/73/53/1370207353.db2.gz WCELFHHARVWGAI-UHFFFAOYSA-N 2 2 331.847 3.461 20 10 EGCDLP Cc1cccc(N2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)[nH+]1 ZINC001203664287 1370207354 /nfs/dbraw/zinc/20/73/54/1370207354.db2.gz WCELFHHARVWGAI-UHFFFAOYSA-N 2 2 331.847 3.461 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880862 1370298698 /nfs/dbraw/zinc/29/86/98/1370298698.db2.gz JFPSFAOUPKEIMF-RBUKOAKNSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880862 1370298700 /nfs/dbraw/zinc/29/87/00/1370298700.db2.gz JFPSFAOUPKEIMF-RBUKOAKNSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880862 1370298706 /nfs/dbraw/zinc/29/87/06/1370298706.db2.gz JFPSFAOUPKEIMF-RBUKOAKNSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001203880862 1370298709 /nfs/dbraw/zinc/29/87/09/1370298709.db2.gz JFPSFAOUPKEIMF-RBUKOAKNSA-N 2 2 338.451 3.052 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1C[NH3+] ZINC001205638775 1370823630 /nfs/dbraw/zinc/82/36/30/1370823630.db2.gz RVPLFJFDIPLOAI-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC[C@@H]1C[NH3+] ZINC001205638775 1370823636 /nfs/dbraw/zinc/82/36/36/1370823636.db2.gz RVPLFJFDIPLOAI-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[NH2+]1 ZINC001210499731 1372366903 /nfs/dbraw/zinc/36/69/03/1372366903.db2.gz WKWRTWZIHIUJOH-INIZCTEOSA-N 2 2 326.440 3.155 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[NH2+]1 ZINC001210499731 1372366908 /nfs/dbraw/zinc/36/69/08/1372366908.db2.gz WKWRTWZIHIUJOH-INIZCTEOSA-N 2 2 326.440 3.155 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001138127802 1377681083 /nfs/dbraw/zinc/68/10/83/1377681083.db2.gz QPETWVGGRPDCDQ-ROUUACIJSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1cc(F)c(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524954 1378453654 /nfs/dbraw/zinc/45/36/54/1378453654.db2.gz QXOBXSPICVMESP-IAGOWNOFSA-N 2 2 344.405 3.234 20 10 EGCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181268 1386550376 /nfs/dbraw/zinc/55/03/76/1386550376.db2.gz VYYSHVNZHAHBAO-IBGZPJMESA-N 2 2 338.499 3.475 20 10 EGCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320181268 1386550380 /nfs/dbraw/zinc/55/03/80/1386550380.db2.gz VYYSHVNZHAHBAO-IBGZPJMESA-N 2 2 338.499 3.475 20 10 EGCDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1O ZINC000275368091 456273612 /nfs/dbraw/zinc/27/36/12/456273612.db2.gz UZLFBXSWQPVPCX-VXGBXAGGSA-N 2 2 338.249 3.399 20 10 EGCDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)ccc2O)C1 ZINC000093741880 454731347 /nfs/dbraw/zinc/73/13/47/454731347.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)ccc2O)C1 ZINC000093741880 454731349 /nfs/dbraw/zinc/73/13/49/454731349.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093741880 454731352 /nfs/dbraw/zinc/73/13/52/454731352.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093741880 454731357 /nfs/dbraw/zinc/73/13/57/454731357.db2.gz VSBOJWIHKRYESM-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000267371413 455548416 /nfs/dbraw/zinc/54/84/16/455548416.db2.gz KNFIOTFLAHJEHJ-LBPRGKRZSA-N 2 2 333.819 3.351 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1O ZINC000267371413 455548420 /nfs/dbraw/zinc/54/84/20/455548420.db2.gz KNFIOTFLAHJEHJ-LBPRGKRZSA-N 2 2 333.819 3.351 20 10 EGCDLP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000841039155 1321206877 /nfs/dbraw/zinc/20/68/77/1321206877.db2.gz CODFWLYQAFCYSP-CQSZACIVSA-N 2 2 327.266 3.152 20 10 EGCDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000747622291 1298811824 /nfs/dbraw/zinc/81/18/24/1298811824.db2.gz UZLAYHKKCGXVAW-UHFFFAOYSA-N 2 2 326.868 3.025 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553937 1300519815 /nfs/dbraw/zinc/51/98/15/1300519815.db2.gz NIAGRWZFWKUULT-WDEREUQCSA-N 2 2 345.256 3.286 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553937 1300519818 /nfs/dbraw/zinc/51/98/18/1300519818.db2.gz NIAGRWZFWKUULT-WDEREUQCSA-N 2 2 345.256 3.286 20 10 EGCDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000764685433 1302117998 /nfs/dbraw/zinc/11/79/98/1302117998.db2.gz VVPKCCFOTFIPMV-HXUWFJFHSA-N 2 2 333.520 3.232 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(Br)cc1O ZINC000902440006 1317578401 /nfs/dbraw/zinc/57/84/01/1317578401.db2.gz WPZUYIPXXJRWSN-IGGJQXEISA-N 2 2 347.256 3.430 20 10 EGCDLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(Br)cc1O ZINC000902440007 1317578856 /nfs/dbraw/zinc/57/88/56/1317578856.db2.gz WPZUYIPXXJRWSN-UDTVLSCZSA-N 2 2 347.256 3.430 20 10 EGCDLP COc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1O ZINC000809748873 1317890237 /nfs/dbraw/zinc/89/02/37/1317890237.db2.gz FWJACMPTMJRUHX-UHFFFAOYSA-N 2 2 329.444 3.290 20 10 EGCDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198756 /nfs/dbraw/zinc/19/87/56/1319198756.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198761 /nfs/dbraw/zinc/19/87/61/1319198761.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198766 /nfs/dbraw/zinc/19/87/66/1319198766.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198773 /nfs/dbraw/zinc/19/87/73/1319198773.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817937978 1319466101 /nfs/dbraw/zinc/46/61/01/1319466101.db2.gz AVJBJCYIEPTHSZ-KXBFYZLASA-N 2 2 327.472 3.420 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938551 1319466163 /nfs/dbraw/zinc/46/61/63/1319466163.db2.gz MWBGAUBSOXRBGT-RTBURBONSA-N 2 2 342.443 3.402 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938838 1319466763 /nfs/dbraw/zinc/46/67/63/1319466763.db2.gz UIIFZQGTGGQXOF-YWZLYKJASA-N 2 2 326.488 3.169 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941922 1319469554 /nfs/dbraw/zinc/46/95/54/1319469554.db2.gz LSQYGKBBUGJHLF-YVEFUNNKSA-N 2 2 333.863 3.462 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941914 1319470639 /nfs/dbraw/zinc/47/06/39/1319470639.db2.gz LSQYGKBBUGJHLF-PXAZEXFGSA-N 2 2 333.863 3.462 20 10 EGCDLP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817941364 1319471043 /nfs/dbraw/zinc/47/10/43/1319471043.db2.gz JMESZQMERRKEHE-JLTOFOAXSA-N 2 2 340.471 3.062 20 10 EGCDLP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817966185 1319480029 /nfs/dbraw/zinc/48/00/29/1319480029.db2.gz IHYWGKVIQCKYAP-BONVTDFDSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000817970843 1319480835 /nfs/dbraw/zinc/48/08/35/1319480835.db2.gz FZRBBJGATWOOQZ-KKZNHRDASA-N 2 2 331.229 3.085 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000841042968 1321207825 /nfs/dbraw/zinc/20/78/25/1321207825.db2.gz NFRXJZXGSNYXQO-KRWDZBQOSA-N 2 2 335.398 3.144 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841041375 1321207862 /nfs/dbraw/zinc/20/78/62/1321207862.db2.gz HOSGXVCMUCJAMC-OFQRWUPVSA-N 2 2 329.410 3.463 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)cc1 ZINC000841045445 1321208497 /nfs/dbraw/zinc/20/84/97/1321208497.db2.gz KZDJTPNELHETLR-HKUYNNGSSA-N 2 2 329.875 3.163 20 10 EGCDLP CCOc1ccc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849349612 1322115653 /nfs/dbraw/zinc/11/56/53/1322115653.db2.gz CNELLBZJGWGWEK-RTBURBONSA-N 2 2 344.430 3.165 20 10 EGCDLP CN(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1 ZINC000849350103 1322116619 /nfs/dbraw/zinc/11/66/19/1322116619.db2.gz POCXARPLQNSGKL-WOJBJXKFSA-N 2 2 327.447 3.127 20 10 EGCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001326474163 1388207388 /nfs/dbraw/zinc/20/73/88/1388207388.db2.gz SXWVQFOGIHSTHK-HOCLYGCPSA-N 2 2 338.455 3.166 20 10 EGCDLP Cc1cc(Br)cc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)c1O ZINC001236525278 1376955600 /nfs/dbraw/zinc/95/56/00/1376955600.db2.gz AXISBZYEJOPKPK-AWEZNQCLSA-N 2 2 327.266 3.035 20 10 EGCDLP Cc1cc(Br)cc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)c1O ZINC001236525278 1376955607 /nfs/dbraw/zinc/95/56/07/1376955607.db2.gz AXISBZYEJOPKPK-AWEZNQCLSA-N 2 2 327.266 3.035 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834754 1377625457 /nfs/dbraw/zinc/62/54/57/1377625457.db2.gz RPNUWXSFJAQILW-ROUUACIJSA-N 2 2 340.442 3.404 20 10 EGCDLP COc1cc(C[N@@H+]2CCc3ccc(F)cc3C2)cc(C[NH+](C)C)c1O ZINC001139258806 1377858208 /nfs/dbraw/zinc/85/82/08/1377858208.db2.gz WTAAXPXWCPTTJQ-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP COc1cc(C[N@H+]2CCc3ccc(F)cc3C2)cc(C[NH+](C)C)c1O ZINC001139258806 1377858214 /nfs/dbraw/zinc/85/82/14/1377858214.db2.gz WTAAXPXWCPTTJQ-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172130020 1384737334 /nfs/dbraw/zinc/73/73/34/1384737334.db2.gz NAGLWHRRHICALI-REPLKXPHSA-N 2 2 343.515 3.141 20 10 EGCDLP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001172130020 1384737337 /nfs/dbraw/zinc/73/73/37/1384737337.db2.gz NAGLWHRRHICALI-REPLKXPHSA-N 2 2 343.515 3.141 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001331420768 1389741585 /nfs/dbraw/zinc/74/15/85/1389741585.db2.gz ZPLIJHVQZATTPD-FQEVSTJZSA-N 2 2 338.499 3.142 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC000177157397 454830735 /nfs/dbraw/zinc/83/07/35/454830735.db2.gz OQHKECAWNZTERB-UHFFFAOYSA-N 2 2 333.819 3.282 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(O)c1 ZINC000185069149 455495753 /nfs/dbraw/zinc/49/57/53/455495753.db2.gz GXTAHPZYOLLYHW-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184350 455545606 /nfs/dbraw/zinc/54/56/06/455545606.db2.gz IKPNZHXEKFEXNS-IBGZPJMESA-N 2 2 331.504 3.128 20 10 EGCDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184350 455545613 /nfs/dbraw/zinc/54/56/13/455545613.db2.gz IKPNZHXEKFEXNS-IBGZPJMESA-N 2 2 331.504 3.128 20 10 EGCDLP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3O)CC2)nc(C)[nH+]1 ZINC000185654804 455590406 /nfs/dbraw/zinc/59/04/06/455590406.db2.gz FFGBYINOROYRGR-CYBMUJFWSA-N 2 2 344.434 3.258 20 10 EGCDLP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1O ZINC000287603340 456073071 /nfs/dbraw/zinc/07/30/71/456073071.db2.gz ISWKZGAGQPDCAG-WMLDXEAASA-N 2 2 340.895 3.323 20 10 EGCDLP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1O ZINC000287603340 456073077 /nfs/dbraw/zinc/07/30/77/456073077.db2.gz ISWKZGAGQPDCAG-WMLDXEAASA-N 2 2 340.895 3.323 20 10 EGCDLP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1O ZINC000287603336 456073980 /nfs/dbraw/zinc/07/39/80/456073980.db2.gz ISWKZGAGQPDCAG-RHSMWYFYSA-N 2 2 340.895 3.323 20 10 EGCDLP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1O ZINC000287603336 456073985 /nfs/dbraw/zinc/07/39/85/456073985.db2.gz ISWKZGAGQPDCAG-RHSMWYFYSA-N 2 2 340.895 3.323 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1O ZINC000288443695 456096335 /nfs/dbraw/zinc/09/63/35/456096335.db2.gz MFKIIMWBIIIEGA-MAUKXSAKSA-N 2 2 326.440 3.153 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1O ZINC000288443695 456096344 /nfs/dbraw/zinc/09/63/44/456096344.db2.gz MFKIIMWBIIIEGA-MAUKXSAKSA-N 2 2 326.440 3.153 20 10 EGCDLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000273437544 456230352 /nfs/dbraw/zinc/23/03/52/456230352.db2.gz XMCFAMHEJPCPDJ-NSHDSACASA-N 2 2 327.266 3.290 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccsc3)CC2)cc1 ZINC000102560401 1292978379 /nfs/dbraw/zinc/97/83/79/1292978379.db2.gz DWTUAVFKJSPZNW-UHFFFAOYSA-N 2 2 345.512 3.059 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Br)c(F)cc1O ZINC000756503744 1300509321 /nfs/dbraw/zinc/50/93/21/1300509321.db2.gz LZPYYMFPHMQJSD-VHSXEESVSA-N 2 2 333.245 3.285 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000757659129 1300705604 /nfs/dbraw/zinc/70/56/04/1300705604.db2.gz WSJRMIBAIGXYTP-HUUCEWRRSA-N 2 2 334.460 3.094 20 10 EGCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000764889237 1302159624 /nfs/dbraw/zinc/15/96/24/1302159624.db2.gz KNAZBIOYJHXAMN-HUUCEWRRSA-N 2 2 348.878 3.112 20 10 EGCDLP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938759 1319466641 /nfs/dbraw/zinc/46/66/41/1319466641.db2.gz RPDBQDFNZXIEQK-OALUTQOASA-N 2 2 325.456 3.038 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000817941015 1319470674 /nfs/dbraw/zinc/47/06/74/1319470674.db2.gz IGTIIVFBSAJPAQ-SLYNCCJLSA-N 2 2 338.499 3.463 20 10 EGCDLP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000817946971 1319472487 /nfs/dbraw/zinc/47/24/87/1319472487.db2.gz IYKLQQRSRATSLC-IDKOKCKLSA-N 2 2 331.229 3.214 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(N(C)C)cc1 ZINC000817950608 1319475348 /nfs/dbraw/zinc/47/53/48/1319475348.db2.gz YSMXERMBUVOQQZ-IBGZPJMESA-N 2 2 339.487 3.120 20 10 EGCDLP CC(C)Oc1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044840 1321208771 /nfs/dbraw/zinc/20/87/71/1321208771.db2.gz YYNAZCTXTMCZNM-FQEVSTJZSA-N 2 2 327.472 3.329 20 10 EGCDLP C[C@@H]([NH2+]CCCCCC[NH3+])c1cc(Br)c(F)cc1O ZINC000843340663 1321502347 /nfs/dbraw/zinc/50/23/47/1321502347.db2.gz DEEFPQWFJHONJR-SNVBAGLBSA-N 2 2 333.245 3.464 20 10 EGCDLP Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccc1N1CCCCC1 ZINC000846876439 1321819689 /nfs/dbraw/zinc/81/96/89/1321819689.db2.gz SCVUBEGSXDPSTG-UHFFFAOYSA-N 2 2 339.487 3.031 20 10 EGCDLP COc1cccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1O ZINC001203595838 1370181960 /nfs/dbraw/zinc/18/19/60/1370181960.db2.gz QRHREOMTGLMASV-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1cccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1O ZINC001203595838 1370181963 /nfs/dbraw/zinc/18/19/63/1370181963.db2.gz QRHREOMTGLMASV-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001326474164 1388207377 /nfs/dbraw/zinc/20/73/77/1388207377.db2.gz SXWVQFOGIHSTHK-ZBFHGGJFSA-N 2 2 338.455 3.166 20 10 EGCDLP c1ccn(-c2ccc(-c3nnc([C@H]4CCC5(CC[NH2+]CC5)[NH2+]4)o3)cc2)c1 ZINC001217703853 1373490894 /nfs/dbraw/zinc/49/08/94/1373490894.db2.gz BXUNOCMWIAQXQN-QGZVFWFLSA-N 2 2 349.438 3.074 20 10 EGCDLP COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001232271266 1376426856 /nfs/dbraw/zinc/42/68/56/1376426856.db2.gz TYFSPBBRYMMIFL-AWEZNQCLSA-N 2 2 348.830 3.411 20 10 EGCDLP COc1cc(O)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001232271266 1376426865 /nfs/dbraw/zinc/42/68/65/1376426865.db2.gz TYFSPBBRYMMIFL-AWEZNQCLSA-N 2 2 348.830 3.411 20 10 EGCDLP Cc1ccc(O)c(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001140619983 1378099776 /nfs/dbraw/zinc/09/97/76/1378099776.db2.gz XXDDWFLVMFKNNY-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP Cc1ccc(O)c(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1 ZINC001140619983 1378099779 /nfs/dbraw/zinc/09/97/79/1378099779.db2.gz XXDDWFLVMFKNNY-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+][C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163321636 1383022070 /nfs/dbraw/zinc/02/20/70/1383022070.db2.gz DGDGCDHAQLDVNB-QUCCMNQESA-N 2 2 325.456 3.417 20 10 EGCDLP Oc1ccccc1C[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCCO1 ZINC000183513081 455301696 /nfs/dbraw/zinc/30/16/96/455301696.db2.gz LJSUMGRVUOCITM-GOSISDBHSA-N 2 2 337.423 3.221 20 10 EGCDLP Oc1ccccc1C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CCCO1 ZINC000183513081 455301700 /nfs/dbraw/zinc/30/17/00/455301700.db2.gz LJSUMGRVUOCITM-GOSISDBHSA-N 2 2 337.423 3.221 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000184698980 455430425 /nfs/dbraw/zinc/43/04/25/455430425.db2.gz LZNGIQYXZRTLHW-CQSZACIVSA-N 2 2 338.879 3.362 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000184698980 455430431 /nfs/dbraw/zinc/43/04/31/455430431.db2.gz LZNGIQYXZRTLHW-CQSZACIVSA-N 2 2 338.879 3.362 20 10 EGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1O ZINC000185063232 455493621 /nfs/dbraw/zinc/49/36/21/455493621.db2.gz WUUKRLMFWIKGKG-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1O ZINC000185208857 455521901 /nfs/dbraw/zinc/52/19/01/455521901.db2.gz ZYYKABASTPBVGX-HXUWFJFHSA-N 2 2 340.467 3.465 20 10 EGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273400961 456228726 /nfs/dbraw/zinc/22/87/26/456228726.db2.gz NDSKMUOWGNKDRE-ZDUSSCGKSA-N 2 2 329.400 3.213 20 10 EGCDLP COc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1O ZINC000359869497 457136745 /nfs/dbraw/zinc/13/67/45/457136745.db2.gz IMOMUBRZBQHGET-INIZCTEOSA-N 2 2 329.444 3.385 20 10 EGCDLP COc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1O ZINC000359869497 457136749 /nfs/dbraw/zinc/13/67/49/457136749.db2.gz IMOMUBRZBQHGET-INIZCTEOSA-N 2 2 329.444 3.385 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495333 457762989 /nfs/dbraw/zinc/76/29/89/457762989.db2.gz RRMPVMUOBHGXJN-SRVKXCTJSA-N 2 2 345.270 3.213 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495333 457762993 /nfs/dbraw/zinc/76/29/93/457762993.db2.gz RRMPVMUOBHGXJN-SRVKXCTJSA-N 2 2 345.270 3.213 20 10 EGCDLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756507611 576151340 /nfs/dbraw/zinc/15/13/40/576151340.db2.gz DEPJGOICZMMVQU-VIFPVBQESA-N 2 2 342.212 3.150 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000757659130 1300706376 /nfs/dbraw/zinc/70/63/76/1300706376.db2.gz WSJRMIBAIGXYTP-LSDHHAIUSA-N 2 2 334.460 3.094 20 10 EGCDLP CCc1nc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000775664679 1304009824 /nfs/dbraw/zinc/00/98/24/1304009824.db2.gz UIJMORBMDPOKIJ-UHFFFAOYSA-N 2 2 344.528 3.089 20 10 EGCDLP CCc1nc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000775664679 1304009825 /nfs/dbraw/zinc/00/98/25/1304009825.db2.gz UIJMORBMDPOKIJ-UHFFFAOYSA-N 2 2 344.528 3.089 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938410 1319466992 /nfs/dbraw/zinc/46/69/92/1319466992.db2.gz JYIMKWCIQWVQKF-KKSFZXQISA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940276 1319468305 /nfs/dbraw/zinc/46/83/05/1319468305.db2.gz FIQGCHWUOOUOLX-JXFKEZNVSA-N 2 2 326.488 3.148 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817941920 1319470598 /nfs/dbraw/zinc/47/05/98/1319470598.db2.gz LSQYGKBBUGJHLF-SJKOYZFVSA-N 2 2 333.863 3.462 20 10 EGCDLP CC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973898 1319482524 /nfs/dbraw/zinc/48/25/24/1319482524.db2.gz HGAFOFJKACSMLJ-ZBFHGGJFSA-N 2 2 346.393 3.220 20 10 EGCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1O ZINC000817981643 1319485169 /nfs/dbraw/zinc/48/51/69/1319485169.db2.gz MFBCAQAFTXKOCQ-IINYFYTJSA-N 2 2 327.266 3.323 20 10 EGCDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016078 1320378032 /nfs/dbraw/zinc/37/80/32/1320378032.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016078 1320378035 /nfs/dbraw/zinc/37/80/35/1320378035.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016078 1320378039 /nfs/dbraw/zinc/37/80/39/1320378039.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016078 1320378042 /nfs/dbraw/zinc/37/80/42/1320378042.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP CC(C)Oc1ccccc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841039843 1321207032 /nfs/dbraw/zinc/20/70/32/1321207032.db2.gz CTTYYDVTOWOMAG-IBGZPJMESA-N 2 2 327.472 3.329 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052544 1321462280 /nfs/dbraw/zinc/46/22/80/1321462280.db2.gz VNABLLHUOSFTPM-VXGBXAGGSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052544 1321462282 /nfs/dbraw/zinc/46/22/82/1321462282.db2.gz VNABLLHUOSFTPM-VXGBXAGGSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000843123486 1321473437 /nfs/dbraw/zinc/47/34/37/1321473437.db2.gz KLTWHSINXMHCBZ-CYBMUJFWSA-N 2 2 327.266 3.166 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000843123486 1321473440 /nfs/dbraw/zinc/47/34/40/1321473440.db2.gz KLTWHSINXMHCBZ-CYBMUJFWSA-N 2 2 327.266 3.166 20 10 EGCDLP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000844925031 1321658340 /nfs/dbraw/zinc/65/83/40/1321658340.db2.gz PBAWWRAAWPVAHF-SNVBAGLBSA-N 2 2 345.256 3.334 20 10 EGCDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838858 1321814514 /nfs/dbraw/zinc/81/45/14/1321814514.db2.gz AZINVKVYIZVVKP-YLJYHZDGSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838858 1321814519 /nfs/dbraw/zinc/81/45/19/1321814519.db2.gz AZINVKVYIZVVKP-YLJYHZDGSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838858 1321814522 /nfs/dbraw/zinc/81/45/22/1321814522.db2.gz AZINVKVYIZVVKP-YLJYHZDGSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838858 1321814526 /nfs/dbraw/zinc/81/45/26/1321814526.db2.gz AZINVKVYIZVVKP-YLJYHZDGSA-N 2 2 342.483 3.268 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862347055 1329476399 /nfs/dbraw/zinc/47/63/99/1329476399.db2.gz KUMZNHIRFWHUPM-GFCCVEGCSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862347055 1329476400 /nfs/dbraw/zinc/47/64/00/1329476400.db2.gz KUMZNHIRFWHUPM-GFCCVEGCSA-N 2 2 327.266 3.071 20 10 EGCDLP [NH3+]C[C@H]([NH3+])c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001217698419 1373489608 /nfs/dbraw/zinc/48/96/08/1373489608.db2.gz CQVUDOZKOHOKME-SFHVURJKSA-N 2 2 345.406 3.153 20 10 EGCDLP Oc1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1C(F)(F)F ZINC001233416154 1376641088 /nfs/dbraw/zinc/64/10/88/1376641088.db2.gz YBUUYKOCBAKQHN-UHFFFAOYSA-N 2 2 337.345 3.128 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4O)C[C@H]3C2)cc1 ZINC001138124959 1377680684 /nfs/dbraw/zinc/68/06/84/1377680684.db2.gz FOJNUICENBJVBD-RTBURBONSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc2n1C ZINC001138257053 1377694913 /nfs/dbraw/zinc/69/49/13/1377694913.db2.gz UHGYOVGGEDLRGH-UHFFFAOYSA-N 2 2 349.482 3.216 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)c(OC)c1 ZINC001138389302 1377714346 /nfs/dbraw/zinc/71/43/46/1377714346.db2.gz LZKDCIQGFKFIEE-UHFFFAOYSA-N 2 2 333.520 3.458 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c(OC)c1 ZINC001138389302 1377714347 /nfs/dbraw/zinc/71/43/47/1377714347.db2.gz LZKDCIQGFKFIEE-UHFFFAOYSA-N 2 2 333.520 3.458 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1O ZINC000184912881 455471694 /nfs/dbraw/zinc/47/16/94/455471694.db2.gz DWXXGMVBPIGBQC-LLVKDONJSA-N 2 2 339.277 3.432 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H](C)C[NH+]3CCCCC3)CC2)cc1 ZINC000151861760 455041148 /nfs/dbraw/zinc/04/11/48/455041148.db2.gz VSAPURSKJJDOEM-KRWDZBQOSA-N 2 2 331.504 3.128 20 10 EGCDLP CCCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(O)c1 ZINC000180130061 455137002 /nfs/dbraw/zinc/13/70/02/455137002.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 2 2 329.444 3.351 20 10 EGCDLP CCCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(O)c1 ZINC000180130061 455137007 /nfs/dbraw/zinc/13/70/07/455137007.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 2 2 329.444 3.351 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(O)c1 ZINC000185063399 455493652 /nfs/dbraw/zinc/49/36/52/455493652.db2.gz YCEHZLGECKZMNG-QGZVFWFLSA-N 2 2 340.467 3.384 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836080 455524582 /nfs/dbraw/zinc/52/45/82/455524582.db2.gz USUNDLOVQRIQNW-MJGOQNOKSA-N 2 2 340.467 3.334 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836080 455524585 /nfs/dbraw/zinc/52/45/85/455524585.db2.gz USUNDLOVQRIQNW-MJGOQNOKSA-N 2 2 340.467 3.334 20 10 EGCDLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CCc4cccc(O)c43)[nH+]c2)C1 ZINC000296967099 456077923 /nfs/dbraw/zinc/07/79/23/456077923.db2.gz RJULCPAYOGLGQA-SJORKVTESA-N 2 2 338.455 3.027 20 10 EGCDLP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287760568 456078283 /nfs/dbraw/zinc/07/82/83/456078283.db2.gz QVRQAEAUNGNELZ-RHSMWYFYSA-N 2 2 339.911 3.112 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000365665110 457769740 /nfs/dbraw/zinc/76/97/40/457769740.db2.gz OTRSQEXXBOGXKI-CYBMUJFWSA-N 2 2 347.846 3.361 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000365665110 457769742 /nfs/dbraw/zinc/76/97/42/457769742.db2.gz OTRSQEXXBOGXKI-CYBMUJFWSA-N 2 2 347.846 3.361 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000371665165 458025576 /nfs/dbraw/zinc/02/55/76/458025576.db2.gz KXBHSOHKHWQPTK-OAHLLOKOSA-N 2 2 330.451 3.080 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000371665165 458025582 /nfs/dbraw/zinc/02/55/82/458025582.db2.gz KXBHSOHKHWQPTK-OAHLLOKOSA-N 2 2 330.451 3.080 20 10 EGCDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183400741 1295117600 /nfs/dbraw/zinc/11/76/00/1295117600.db2.gz IEDLYANWHQUJRM-SFHVURJKSA-N 2 2 339.483 3.255 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1c(O)cccc1F ZINC000886578258 1303509356 /nfs/dbraw/zinc/50/93/56/1303509356.db2.gz PPYHLLKACYZXDW-DZGCQCFKSA-N 2 2 344.434 3.240 20 10 EGCDLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788527388 1305964091 /nfs/dbraw/zinc/96/40/91/1305964091.db2.gz TYAHTQITVSNLSY-LBPRGKRZSA-N 2 2 334.382 3.030 20 10 EGCDLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788527388 1305964097 /nfs/dbraw/zinc/96/40/97/1305964097.db2.gz TYAHTQITVSNLSY-LBPRGKRZSA-N 2 2 334.382 3.030 20 10 EGCDLP COc1ccc(O)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000809750342 1317889515 /nfs/dbraw/zinc/88/95/15/1317889515.db2.gz YMBFEUXHPWBAFT-UHFFFAOYSA-N 2 2 329.444 3.290 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766258 1317896610 /nfs/dbraw/zinc/89/66/10/1317896610.db2.gz WJHHDMKEXIRWEN-WFASDCNBSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766258 1317896613 /nfs/dbraw/zinc/89/66/13/1317896613.db2.gz WJHHDMKEXIRWEN-WFASDCNBSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766258 1317896617 /nfs/dbraw/zinc/89/66/17/1317896617.db2.gz WJHHDMKEXIRWEN-WFASDCNBSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766258 1317896620 /nfs/dbraw/zinc/89/66/20/1317896620.db2.gz WJHHDMKEXIRWEN-WFASDCNBSA-N 2 2 341.293 3.235 20 10 EGCDLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C[NH+](C)C ZINC000813878560 1318648408 /nfs/dbraw/zinc/64/84/08/1318648408.db2.gz PFBQWTHFABYNPJ-ZJUUUORDSA-N 2 2 333.245 3.142 20 10 EGCDLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940809 1319468546 /nfs/dbraw/zinc/46/85/46/1319468546.db2.gz HUTFHCPPQMOEJU-WOJBJXKFSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)c(F)cc1O ZINC000817960621 1319477693 /nfs/dbraw/zinc/47/76/93/1319477693.db2.gz OLFLWQBBERXISA-IMSIIYSGSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000817970844 1319481338 /nfs/dbraw/zinc/48/13/38/1319481338.db2.gz FZRBBJGATWOOQZ-WCABBAIRSA-N 2 2 331.229 3.085 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)c(F)cc1O ZINC000817981838 1319485817 /nfs/dbraw/zinc/48/58/17/1319485817.db2.gz OCHVUVPYNXZBBJ-OTYXRUKQSA-N 2 2 345.256 3.462 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000841041853 1321207265 /nfs/dbraw/zinc/20/72/65/1321207265.db2.gz FTEFLJGDWBWGGI-GOSISDBHSA-N 2 2 349.425 3.186 20 10 EGCDLP Cc1ccc2cc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2n1 ZINC000841042725 1321207781 /nfs/dbraw/zinc/20/77/81/1321207781.db2.gz MVIYQTVRJWRGON-HXUWFJFHSA-N 2 2 334.467 3.399 20 10 EGCDLP Cc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc2cccnc12 ZINC000841045188 1321208446 /nfs/dbraw/zinc/20/84/46/1321208446.db2.gz JEMVTLZYHNGJAD-FQEVSTJZSA-N 2 2 334.467 3.399 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000841046223 1321209155 /nfs/dbraw/zinc/20/91/55/1321209155.db2.gz YBWVVYOLIOSPSH-LLHWWHOWSA-N 2 2 331.410 3.334 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557142 1322265961 /nfs/dbraw/zinc/26/59/61/1322265961.db2.gz LLBZZGWCZIDZMY-WOJBJXKFSA-N 2 2 331.504 3.047 20 10 EGCDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277566 1370430252 /nfs/dbraw/zinc/43/02/52/1370430252.db2.gz FNZICWFJOSINAX-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277566 1370430256 /nfs/dbraw/zinc/43/02/56/1370430256.db2.gz FNZICWFJOSINAX-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912850 1370908215 /nfs/dbraw/zinc/90/82/15/1370908215.db2.gz DBIWQEHHVBAZAR-VXGBXAGGSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@H]2C)c1 ZINC001205912850 1370908217 /nfs/dbraw/zinc/90/82/17/1370908217.db2.gz DBIWQEHHVBAZAR-VXGBXAGGSA-N 2 2 327.266 3.022 20 10 EGCDLP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903027 1376915915 /nfs/dbraw/zinc/91/59/15/1376915915.db2.gz HRWPTZAQTQPOEC-YJBOKZPZSA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903027 1376915922 /nfs/dbraw/zinc/91/59/22/1376915922.db2.gz HRWPTZAQTQPOEC-YJBOKZPZSA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cc(F)ccc1O ZINC000184894458 455468951 /nfs/dbraw/zinc/46/89/51/455468951.db2.gz HBGGOIAMFPJHHY-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185144965 455510100 /nfs/dbraw/zinc/51/01/00/455510100.db2.gz KPCSOKPDEUYVSY-OAHLLOKOSA-N 2 2 328.456 3.307 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587814 456239669 /nfs/dbraw/zinc/23/96/69/456239669.db2.gz OFIQUJOBOVSGBC-CQSZACIVSA-N 2 2 346.471 3.236 20 10 EGCDLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000037158059 522736842 /nfs/dbraw/zinc/73/68/42/522736842.db2.gz YXZWBKKCTWPYCQ-RISCZKNCSA-N 2 2 338.249 3.481 20 10 EGCDLP COc1cccc(O)c1C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000736641336 575997208 /nfs/dbraw/zinc/99/72/08/575997208.db2.gz GQRZSLWPOFKTGT-UHFFFAOYSA-N 2 2 325.412 3.010 20 10 EGCDLP C[C@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2c1c(F)ccc2O ZINC000756402661 1300484221 /nfs/dbraw/zinc/48/42/21/1300484221.db2.gz NOFMYBUXIGPQCK-WFASDCNBSA-N 2 2 329.419 3.445 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553932 1300520173 /nfs/dbraw/zinc/52/01/73/1300520173.db2.gz NIAGRWZFWKUULT-MNOVXSKESA-N 2 2 345.256 3.286 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553932 1300520187 /nfs/dbraw/zinc/52/01/87/1300520187.db2.gz NIAGRWZFWKUULT-MNOVXSKESA-N 2 2 345.256 3.286 20 10 EGCDLP CCn1c2ccccc2[nH+]c1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000763412397 1301898209 /nfs/dbraw/zinc/89/82/09/1301898209.db2.gz PBNWCLYWWGEAGV-UHFFFAOYSA-N 2 2 349.482 3.420 20 10 EGCDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767937 1317896784 /nfs/dbraw/zinc/89/67/84/1317896784.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767937 1317896791 /nfs/dbraw/zinc/89/67/91/1317896791.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767937 1317896798 /nfs/dbraw/zinc/89/67/98/1317896798.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767937 1317896802 /nfs/dbraw/zinc/89/68/02/1317896802.db2.gz YMERPCAUQJPQOP-DOMZBBRYSA-N 2 2 339.277 3.071 20 10 EGCDLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817976426 1319483516 /nfs/dbraw/zinc/48/35/16/1319483516.db2.gz LVGVYLPAHYXWQZ-ZJUUUORDSA-N 2 2 333.245 3.462 20 10 EGCDLP FC(F)(F)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000812829341 1318464493 /nfs/dbraw/zinc/46/44/93/1318464493.db2.gz SAMXMMTYRMSDCS-UHFFFAOYSA-N 2 2 328.378 3.128 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938550 1319466386 /nfs/dbraw/zinc/46/63/86/1319466386.db2.gz MWBGAUBSOXRBGT-RBUKOAKNSA-N 2 2 342.443 3.402 20 10 EGCDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939597 1319468558 /nfs/dbraw/zinc/46/85/58/1319468558.db2.gz CSNPIYXYMYHSDE-CSMYWGQOSA-N 2 2 343.446 3.435 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942723 1319470225 /nfs/dbraw/zinc/47/02/25/1319470225.db2.gz QNWYUCVVVPTEMJ-RBUKOAKNSA-N 2 2 343.446 3.395 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941135 1319470991 /nfs/dbraw/zinc/47/09/91/1319470991.db2.gz JDAHEYZTNWQKDY-XOBRGWDASA-N 2 2 325.456 3.133 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC000817946642 1319471546 /nfs/dbraw/zinc/47/15/46/1319471546.db2.gz CCINUAQYAYKBGC-OUAUKWLOSA-N 2 2 345.256 3.333 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cccc(Cl)c1O ZINC000817951058 1319474799 /nfs/dbraw/zinc/47/47/99/1319474799.db2.gz AVDXQTUVODSRSE-MRXNPFEDSA-N 2 2 346.862 3.413 20 10 EGCDLP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1O ZINC000817980979 1319483914 /nfs/dbraw/zinc/48/39/14/1319483914.db2.gz ORQCOKSENFEOBP-JQWIXIFHSA-N 2 2 345.256 3.477 20 10 EGCDLP COc1cc(Cl)cc(C[NH2+]CC[NH2+]C2CCCCCC2)c1O ZINC000841029156 1321203603 /nfs/dbraw/zinc/20/36/03/1321203603.db2.gz USOPKEPMABCRNB-UHFFFAOYSA-N 2 2 326.868 3.456 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000841043552 1321208415 /nfs/dbraw/zinc/20/84/15/1321208415.db2.gz PGBLGFQXBWAPGJ-QGZVFWFLSA-N 2 2 348.288 3.305 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000841044950 1321208574 /nfs/dbraw/zinc/20/85/74/1321208574.db2.gz GQDKNJQVOZLHLR-NRFANRHFSA-N 2 2 338.499 3.011 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1O ZINC000841757266 1321307318 /nfs/dbraw/zinc/30/73/18/1321307318.db2.gz CTJIEDPXNTWKJS-UONOGXRCSA-N 2 2 338.879 3.197 20 10 EGCDLP C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1(C[NH3+])CCC1 ZINC000843125303 1321473179 /nfs/dbraw/zinc/47/31/79/1321473179.db2.gz RRKSPKJCUFHHAU-UHFFFAOYSA-N 2 2 326.440 3.284 20 10 EGCDLP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1(C[NH3+])CCC1 ZINC000843125303 1321473182 /nfs/dbraw/zinc/47/31/82/1321473182.db2.gz RRKSPKJCUFHHAU-UHFFFAOYSA-N 2 2 326.440 3.284 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000850557139 1322266228 /nfs/dbraw/zinc/26/62/28/1322266228.db2.gz LLBZZGWCZIDZMY-VQTJNVASSA-N 2 2 331.504 3.047 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558570 1322267325 /nfs/dbraw/zinc/26/73/25/1322267325.db2.gz ZZEKANRDFZBFDG-MAUKXSAKSA-N 2 2 340.467 3.449 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1O ZINC000850558569 1322267440 /nfs/dbraw/zinc/26/74/40/1322267440.db2.gz ZZEKANRDFZBFDG-CRAIPNDOSA-N 2 2 340.467 3.449 20 10 EGCDLP CCOc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1O ZINC001203613960 1370187826 /nfs/dbraw/zinc/18/78/26/1370187826.db2.gz LBGMQFBYUGLPRO-UHFFFAOYSA-N 2 2 336.451 3.189 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912849 1370908555 /nfs/dbraw/zinc/90/85/55/1370908555.db2.gz DBIWQEHHVBAZAR-RYUDHWBXSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H]2C)c1 ZINC001205912849 1370908557 /nfs/dbraw/zinc/90/85/57/1370908557.db2.gz DBIWQEHHVBAZAR-RYUDHWBXSA-N 2 2 327.266 3.022 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1[NH3+] ZINC001206043388 1370947231 /nfs/dbraw/zinc/94/72/31/1370947231.db2.gz BJBCJXLQSSCSNF-DNVCBOLYSA-N 2 2 326.440 3.140 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1[NH3+] ZINC001206043388 1370947232 /nfs/dbraw/zinc/94/72/32/1370947232.db2.gz BJBCJXLQSSCSNF-DNVCBOLYSA-N 2 2 326.440 3.140 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118431321 1371181028 /nfs/dbraw/zinc/18/10/28/1371181028.db2.gz RDXVXWCIAZWWQA-HYVNUMGLSA-N 2 2 330.472 3.092 20 10 EGCDLP Cc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)ccc1N(C)C ZINC001139669989 1377930545 /nfs/dbraw/zinc/93/05/45/1377930545.db2.gz TUHRKHBPSFCCOE-UHFFFAOYSA-N 2 2 325.456 3.499 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062886 1377999259 /nfs/dbraw/zinc/99/92/59/1377999259.db2.gz HNJXYVYOXJZUHF-OALUTQOASA-N 2 2 340.442 3.404 20 10 EGCDLP COc1cccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000119323791 454186727 /nfs/dbraw/zinc/18/67/27/454186727.db2.gz MHEZCEPNVDIVRH-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1cccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000119323791 454186733 /nfs/dbraw/zinc/18/67/33/454186733.db2.gz MHEZCEPNVDIVRH-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185008972 455485680 /nfs/dbraw/zinc/48/56/80/455485680.db2.gz GTZBIYSHBMBJOW-LLVKDONJSA-N 2 2 335.275 3.318 20 10 EGCDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1O ZINC000185008972 455485684 /nfs/dbraw/zinc/48/56/84/455485684.db2.gz GTZBIYSHBMBJOW-LLVKDONJSA-N 2 2 335.275 3.318 20 10 EGCDLP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000180009532 455115591 /nfs/dbraw/zinc/11/55/91/455115591.db2.gz MAALNLCOYQDQPK-UHFFFAOYSA-N 2 2 343.446 3.065 20 10 EGCDLP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000180009532 455115594 /nfs/dbraw/zinc/11/55/94/455115594.db2.gz MAALNLCOYQDQPK-UHFFFAOYSA-N 2 2 343.446 3.065 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1O ZINC000185069329 455496447 /nfs/dbraw/zinc/49/64/47/455496447.db2.gz BQCROHLPIIFNGJ-CQSZACIVSA-N 2 2 329.419 3.242 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000185084248 455498680 /nfs/dbraw/zinc/49/86/80/455498680.db2.gz DNZPUPFXWQEAHE-CYBMUJFWSA-N 2 2 338.411 3.141 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000185084227 455498960 /nfs/dbraw/zinc/49/89/60/455498960.db2.gz DNZPUPFXWQEAHE-ZDUSSCGKSA-N 2 2 338.411 3.141 20 10 EGCDLP COC1CCN(c2ccc(C[N@H+](C)CCCn3cc[nH+]c3)cc2)CC1 ZINC000294874362 455830830 /nfs/dbraw/zinc/83/08/30/455830830.db2.gz DPEABJGKTIXQHA-UHFFFAOYSA-N 2 2 342.487 3.020 20 10 EGCDLP COC1CCN(c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3)cc2)CC1 ZINC000294874362 455830832 /nfs/dbraw/zinc/83/08/32/455830832.db2.gz DPEABJGKTIXQHA-UHFFFAOYSA-N 2 2 342.487 3.020 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000272797113 456072214 /nfs/dbraw/zinc/07/22/14/456072214.db2.gz ARABCHWZUHCGHP-ZBFHGGJFSA-N 2 2 326.444 3.101 20 10 EGCDLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c(O)c1 ZINC000273525962 456235838 /nfs/dbraw/zinc/23/58/38/456235838.db2.gz VFNZLXOHDBKIFJ-DOTOQJQBSA-N 2 2 340.471 3.409 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000273568596 456239754 /nfs/dbraw/zinc/23/97/54/456239754.db2.gz KDDHDPCBCSBKDQ-AWEZNQCLSA-N 2 2 343.427 3.117 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373225244 458435638 /nfs/dbraw/zinc/43/56/38/458435638.db2.gz DLCDVDNCEJQFAX-LBPRGKRZSA-N 2 2 335.835 3.167 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373225244 458435643 /nfs/dbraw/zinc/43/56/43/458435643.db2.gz DLCDVDNCEJQFAX-LBPRGKRZSA-N 2 2 335.835 3.167 20 10 EGCDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000827892341 1292395830 /nfs/dbraw/zinc/39/58/30/1292395830.db2.gz WHOVTWRLXQIDSQ-UHFFFAOYSA-N 2 2 348.450 3.115 20 10 EGCDLP Cc1cccc(O)c1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876649385 1298896596 /nfs/dbraw/zinc/89/65/96/1298896596.db2.gz UQYSKFJWJMKOHA-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cc1cccc(O)c1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876649385 1298896605 /nfs/dbraw/zinc/89/66/05/1298896605.db2.gz UQYSKFJWJMKOHA-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CC3CCC3)CC2)cc1 ZINC000764676020 1302115984 /nfs/dbraw/zinc/11/59/84/1302115984.db2.gz NRVKTKWLEWNILY-GOSISDBHSA-N 2 2 345.531 3.376 20 10 EGCDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000764685431 1302117605 /nfs/dbraw/zinc/11/76/05/1302117605.db2.gz VVPKCCFOTFIPMV-FQEVSTJZSA-N 2 2 333.520 3.232 20 10 EGCDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817962432 1319479512 /nfs/dbraw/zinc/47/95/12/1319479512.db2.gz LYHMJDPPYSTBKJ-VHSXEESVSA-N 2 2 333.245 3.462 20 10 EGCDLP Oc1cc(Br)ccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000825429345 1320337593 /nfs/dbraw/zinc/33/75/93/1320337593.db2.gz LBZQBEKWXOZEEW-UHFFFAOYSA-N 2 2 336.233 3.142 20 10 EGCDLP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)cc1O ZINC000810238090 1317984504 /nfs/dbraw/zinc/98/45/04/1317984504.db2.gz YAJFNCUDDVMWGL-AWEZNQCLSA-N 2 2 327.350 3.428 20 10 EGCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817889292 1319452358 /nfs/dbraw/zinc/45/23/58/1319452358.db2.gz SCMAVHJQZXFNBF-OAFZBRQQSA-N 2 2 349.494 3.060 20 10 EGCDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817946641 1319471667 /nfs/dbraw/zinc/47/16/67/1319471667.db2.gz CCINUAQYAYKBGC-GARJFASQSA-N 2 2 345.256 3.333 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000817960824 1319478081 /nfs/dbraw/zinc/47/80/81/1319478081.db2.gz RFCBJAXZZKSWIK-CQSZACIVSA-N 2 2 334.460 3.142 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)c(F)cc1O ZINC000817972200 1319481286 /nfs/dbraw/zinc/48/12/86/1319481286.db2.gz VDHABPBGGRXHBW-KXUCPTDWSA-N 2 2 331.229 3.085 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1O ZINC000817976571 1319484052 /nfs/dbraw/zinc/48/40/52/1319484052.db2.gz NUFVIWOQMOUTNW-ZANVPECISA-N 2 2 343.240 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817981238 1319485324 /nfs/dbraw/zinc/48/53/24/1319485324.db2.gz HTZXIJHTDPIETH-IVZWLZJFSA-N 2 2 331.229 3.072 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817981237 1319485395 /nfs/dbraw/zinc/48/53/95/1319485395.db2.gz HTZXIJHTDPIETH-GUBZILKMSA-N 2 2 331.229 3.072 20 10 EGCDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000825265948 1320322765 /nfs/dbraw/zinc/32/27/65/1320322765.db2.gz GQISSBUFHWCUFR-MRXNPFEDSA-N 2 2 338.879 3.087 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045379 1321208313 /nfs/dbraw/zinc/20/83/13/1321208313.db2.gz KMAWOZCIUSESTG-LJQANCHMSA-N 2 2 339.483 3.256 20 10 EGCDLP CCCOc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044328 1321208439 /nfs/dbraw/zinc/20/84/39/1321208439.db2.gz WCEJKWAGQMJLPY-HXUWFJFHSA-N 2 2 327.472 3.331 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000841085734 1321215770 /nfs/dbraw/zinc/21/57/70/1321215770.db2.gz BWMNYMZUVCOZNB-AWEZNQCLSA-N 2 2 327.266 3.070 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1O ZINC000841764610 1321309066 /nfs/dbraw/zinc/30/90/66/1321309066.db2.gz QSEITBXPGBMDCQ-CJNGLKHVSA-N 2 2 338.879 3.340 20 10 EGCDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862249539 1329471691 /nfs/dbraw/zinc/47/16/91/1329471691.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862249539 1329471692 /nfs/dbraw/zinc/47/16/92/1329471692.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249539 1329471693 /nfs/dbraw/zinc/47/16/93/1329471693.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249539 1329471695 /nfs/dbraw/zinc/47/16/95/1329471695.db2.gz SULSDGXMIQWYIY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112639 1376846860 /nfs/dbraw/zinc/84/68/60/1376846860.db2.gz YZTMMJRZLODNCM-OAQYLSRUSA-N 2 2 338.451 3.299 20 10 EGCDLP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112639 1376846864 /nfs/dbraw/zinc/84/68/64/1376846864.db2.gz YZTMMJRZLODNCM-OAQYLSRUSA-N 2 2 338.451 3.299 20 10 EGCDLP Oc1c(Cl)cc(F)cc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235703646 1376885621 /nfs/dbraw/zinc/88/56/21/1376885621.db2.gz ZUJKEBQWMDWEQJ-UHFFFAOYSA-N 2 2 326.843 3.396 20 10 EGCDLP Cc1cc(O)c(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236240379 1376944447 /nfs/dbraw/zinc/94/44/47/1376944447.db2.gz LCBHALHXLLBOBR-AWEZNQCLSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(O)c(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1Br ZINC001236240379 1376944452 /nfs/dbraw/zinc/94/44/52/1376944452.db2.gz LCBHALHXLLBOBR-AWEZNQCLSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(Br)cc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1O ZINC001236525282 1376955914 /nfs/dbraw/zinc/95/59/14/1376955914.db2.gz AXISBZYEJOPKPK-CQSZACIVSA-N 2 2 327.266 3.035 20 10 EGCDLP Cc1cc(Br)cc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1O ZINC001236525282 1376955921 /nfs/dbraw/zinc/95/59/21/1376955921.db2.gz AXISBZYEJOPKPK-CQSZACIVSA-N 2 2 327.266 3.035 20 10 EGCDLP CCOCC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001172421456 1384788298 /nfs/dbraw/zinc/78/82/98/1384788298.db2.gz XOWLHRQVVKRMLJ-JSNMRZPZSA-N 2 2 344.455 3.244 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3occc3C)cc2F)CC1 ZINC000266234763 455426309 /nfs/dbraw/zinc/42/63/09/455426309.db2.gz VSBSUIHUVSSPHZ-UHFFFAOYSA-N 2 2 331.435 3.159 20 10 EGCDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)ccc2O)C1 ZINC000093741879 454731775 /nfs/dbraw/zinc/73/17/75/454731775.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)ccc2O)C1 ZINC000093741879 454731776 /nfs/dbraw/zinc/73/17/76/454731776.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093741879 454731778 /nfs/dbraw/zinc/73/17/78/454731778.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093741879 454731780 /nfs/dbraw/zinc/73/17/80/454731780.db2.gz VSBOJWIHKRYESM-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP Cc1ccc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(O)c1 ZINC000273525966 456236573 /nfs/dbraw/zinc/23/65/73/456236573.db2.gz VFNZLXOHDBKIFJ-RDJZCZTQSA-N 2 2 340.471 3.409 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000369037426 458072521 /nfs/dbraw/zinc/07/25/21/458072521.db2.gz XEWKVMGCJNVBBZ-CRAIPNDOSA-N 2 2 326.440 3.326 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000369037426 458072528 /nfs/dbraw/zinc/07/25/28/458072528.db2.gz XEWKVMGCJNVBBZ-CRAIPNDOSA-N 2 2 326.440 3.326 20 10 EGCDLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Br)ccc1O ZINC000037158057 522912064 /nfs/dbraw/zinc/91/20/64/522912064.db2.gz YXZWBKKCTWPYCQ-SMDDNHRTSA-N 2 2 338.249 3.481 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778759 1298286113 /nfs/dbraw/zinc/28/61/13/1298286113.db2.gz MIOGRPFBDKOCIU-CHWSQXEVSA-N 2 2 343.240 3.010 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715778759 1298286121 /nfs/dbraw/zinc/28/61/21/1298286121.db2.gz MIOGRPFBDKOCIU-CHWSQXEVSA-N 2 2 343.240 3.010 20 10 EGCDLP CC[NH+]1CCC(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715830206 1298287927 /nfs/dbraw/zinc/28/79/27/1298287927.db2.gz XZAGUXXWLITLAU-UHFFFAOYSA-N 2 2 345.256 3.115 20 10 EGCDLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000756431752 1300489951 /nfs/dbraw/zinc/48/99/51/1300489951.db2.gz DKYOYJPUZHYUPR-NSHDSACASA-N 2 2 338.249 3.401 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000756362588 1300475920 /nfs/dbraw/zinc/47/59/20/1300475920.db2.gz JZSFNGUQZZICPL-HUUCEWRRSA-N 2 2 334.460 3.094 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756362588 1300475925 /nfs/dbraw/zinc/47/59/25/1300475925.db2.gz JZSFNGUQZZICPL-HUUCEWRRSA-N 2 2 334.460 3.094 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3CCCC3)CC2)cc1 ZINC000764685405 1302117193 /nfs/dbraw/zinc/11/71/93/1302117193.db2.gz VCOIPBUMGJSAAQ-SFHVURJKSA-N 2 2 345.531 3.376 20 10 EGCDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)c1 ZINC000768462181 1302911008 /nfs/dbraw/zinc/91/10/08/1302911008.db2.gz KXESSGPDGNLZSK-UHFFFAOYSA-N 2 2 337.467 3.297 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1O ZINC000886664163 1303545091 /nfs/dbraw/zinc/54/50/91/1303545091.db2.gz DBBBVXYTYXVKOP-UHFFFAOYSA-N 2 2 345.418 3.453 20 10 EGCDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897970 1319455726 /nfs/dbraw/zinc/45/57/26/1319455726.db2.gz YEPCWSWSWDVFAT-IEBWSBKVSA-N 2 2 345.531 3.312 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938086 1319466689 /nfs/dbraw/zinc/46/66/89/1319466689.db2.gz DCEIKTPFCKXGDM-RDTXWAMCSA-N 2 2 342.443 3.320 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938700 1319467066 /nfs/dbraw/zinc/46/70/66/1319467066.db2.gz QIRLBJVNXZNCHU-LIRRHRJNSA-N 2 2 325.456 3.038 20 10 EGCDLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C12CCCC2 ZINC000817941410 1319470327 /nfs/dbraw/zinc/47/03/27/1319470327.db2.gz JREPORAIAJJEFE-IPMKNSEASA-N 2 2 331.504 3.080 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000817944351 1319471505 /nfs/dbraw/zinc/47/15/05/1319471505.db2.gz ZQSSQYOGJNEQSD-MOPGFXCFSA-N 2 2 325.456 3.256 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943928 1319471524 /nfs/dbraw/zinc/47/15/24/1319471524.db2.gz WTXDDQRSWGWEIK-UZLBHIALSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000817952774 1319474652 /nfs/dbraw/zinc/47/46/52/1319474652.db2.gz MHSUPTKWGLNDIZ-LBPRGKRZSA-N 2 2 332.835 3.023 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817961021 1319478226 /nfs/dbraw/zinc/47/82/26/1319478226.db2.gz WJWVUEROELUOGB-AWEZNQCLSA-N 2 2 339.911 3.345 20 10 EGCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)ccc1O ZINC000817980816 1319483808 /nfs/dbraw/zinc/48/38/08/1319483808.db2.gz DVHGEUBBKKAVEE-QMTHXVAHSA-N 2 2 327.266 3.323 20 10 EGCDLP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)c(F)cc1O ZINC000817980615 1319483865 /nfs/dbraw/zinc/48/38/65/1319483865.db2.gz LVOVGADQAUHTLE-GHMZBOCLSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)c(F)cc1O ZINC000817981842 1319485427 /nfs/dbraw/zinc/48/54/27/1319485427.db2.gz OCHVUVPYNXZBBJ-YMTOWFKASA-N 2 2 345.256 3.462 20 10 EGCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000853248347 1325071687 /nfs/dbraw/zinc/07/16/87/1325071687.db2.gz DLKSQZVMTAGOIK-CYBMUJFWSA-N 2 2 340.309 3.137 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001206327478 1371023834 /nfs/dbraw/zinc/02/38/34/1371023834.db2.gz WXNBQIILKOIOJK-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(F)cc(Br)c2O)CC1 ZINC001206327478 1371023840 /nfs/dbraw/zinc/02/38/40/1371023840.db2.gz WXNBQIILKOIOJK-OAHLLOKOSA-N 2 2 345.256 3.245 20 10 EGCDLP C[N@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203874702 1370296389 /nfs/dbraw/zinc/29/63/89/1370296389.db2.gz BNPOTFLAXSXSLT-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@@H+](Cc1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203874702 1370296396 /nfs/dbraw/zinc/29/63/96/1370296396.db2.gz BNPOTFLAXSXSLT-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP Oc1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cccc1OC(F)(F)F ZINC001233768605 1376712270 /nfs/dbraw/zinc/71/22/70/1376712270.db2.gz WHWPFXIJDWNWRS-UHFFFAOYSA-N 2 2 341.333 3.324 20 10 EGCDLP CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1O ZINC001139059346 1377823040 /nfs/dbraw/zinc/82/30/40/1377823040.db2.gz XURXAXFBFOMKIY-UHFFFAOYSA-N 2 2 340.467 3.247 20 10 EGCDLP CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1O ZINC001139059346 1377823043 /nfs/dbraw/zinc/82/30/43/1377823043.db2.gz XURXAXFBFOMKIY-UHFFFAOYSA-N 2 2 340.467 3.247 20 10 EGCDLP COc1cc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254015 1377858333 /nfs/dbraw/zinc/85/83/33/1377858333.db2.gz BZAKRKOOJOKDAT-HNNXBMFYSA-N 2 2 346.393 3.032 20 10 EGCDLP COc1cc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139254015 1377858341 /nfs/dbraw/zinc/85/83/41/1377858341.db2.gz BZAKRKOOJOKDAT-HNNXBMFYSA-N 2 2 346.393 3.032 20 10 EGCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142517454 1378452235 /nfs/dbraw/zinc/45/22/35/1378452235.db2.gz NRGXFPPCOBDZFV-UHFFFAOYSA-N 2 2 333.382 3.113 20 10 EGCDLP CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172127013 1384736097 /nfs/dbraw/zinc/73/60/97/1384736097.db2.gz FZZDFLIQKBCVLL-ACDBMABISA-N 2 2 343.515 3.223 20 10 EGCDLP CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172127013 1384736101 /nfs/dbraw/zinc/73/61/01/1384736101.db2.gz FZZDFLIQKBCVLL-ACDBMABISA-N 2 2 343.515 3.223 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC001331420770 1389741434 /nfs/dbraw/zinc/74/14/34/1389741434.db2.gz ZPLIJHVQZATTPD-HXUWFJFHSA-N 2 2 338.499 3.142 20 10 EGCDLP CCOc1cccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)c1O ZINC000074336822 454566508 /nfs/dbraw/zinc/56/65/08/454566508.db2.gz QMIHREXJTNAEIE-UHFFFAOYSA-N 2 2 325.412 3.239 20 10 EGCDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185314316 455537598 /nfs/dbraw/zinc/53/75/98/455537598.db2.gz PYOQBSUSUSHPCA-CYBMUJFWSA-N 2 2 326.868 3.197 20 10 EGCDLP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Cl)c1O ZINC000287174952 456062615 /nfs/dbraw/zinc/06/26/15/456062615.db2.gz UTZSDHJRTRZQNN-INIZCTEOSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1O ZINC000287174952 456062617 /nfs/dbraw/zinc/06/26/17/456062617.db2.gz UTZSDHJRTRZQNN-INIZCTEOSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1O ZINC000287527933 456071551 /nfs/dbraw/zinc/07/15/51/456071551.db2.gz DNRMVIIEVABTGU-KRWDZBQOSA-N 2 2 339.911 3.112 20 10 EGCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648597 1301721112 /nfs/dbraw/zinc/72/11/12/1301721112.db2.gz JYTWLMIZZZQCMS-KBPBESRZSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648597 1301721128 /nfs/dbraw/zinc/72/11/28/1301721128.db2.gz JYTWLMIZZZQCMS-KBPBESRZSA-N 2 2 326.868 3.197 20 10 EGCDLP Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000824855672 1320291953 /nfs/dbraw/zinc/29/19/53/1320291953.db2.gz OGRABCQRZIGRLJ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1cc(Br)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000824855672 1320291957 /nfs/dbraw/zinc/29/19/57/1320291957.db2.gz OGRABCQRZIGRLJ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816535009 1319177612 /nfs/dbraw/zinc/17/76/12/1319177612.db2.gz BYRPPWCHMYWEQQ-UHFFFAOYSA-N 2 2 341.499 3.053 20 10 EGCDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1c(F)cccc1F ZINC000816651364 1319201447 /nfs/dbraw/zinc/20/14/47/1319201447.db2.gz DQHRUJQWNSWRAR-UHFFFAOYSA-N 2 2 345.437 3.349 20 10 EGCDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1c(F)cccc1F ZINC000816651364 1319201463 /nfs/dbraw/zinc/20/14/63/1319201463.db2.gz DQHRUJQWNSWRAR-UHFFFAOYSA-N 2 2 345.437 3.349 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938641 1319466807 /nfs/dbraw/zinc/46/68/07/1319466807.db2.gz OTFHQGMKORQCOI-KKSFZXQISA-N 2 2 349.482 3.289 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938587 1319466901 /nfs/dbraw/zinc/46/69/01/1319466901.db2.gz NPQRMZISORFZEM-WOJBJXKFSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938836 1319467121 /nfs/dbraw/zinc/46/71/21/1319467121.db2.gz UIIFZQGTGGQXOF-MGPUTAFESA-N 2 2 326.488 3.169 20 10 EGCDLP Cc1c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940780 1319468149 /nfs/dbraw/zinc/46/81/49/1319468149.db2.gz HSQJJYZOLPSFDT-KUHUBIRLSA-N 2 2 343.519 3.363 20 10 EGCDLP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942742 1319470850 /nfs/dbraw/zinc/47/08/50/1319470850.db2.gz QSMLQSSXPRAOKL-LRDDRELGSA-N 2 2 332.517 3.431 20 10 EGCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000817949658 1319473167 /nfs/dbraw/zinc/47/31/67/1319473167.db2.gz LNMMHJVWBGYLSK-DGCLKSJQSA-N 2 2 327.266 3.256 20 10 EGCDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962382 1319478041 /nfs/dbraw/zinc/47/80/41/1319478041.db2.gz IYDULDZULBHKNO-GJZGRUSLSA-N 2 2 339.911 3.345 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cc(F)c1O ZINC000818615046 1319570241 /nfs/dbraw/zinc/57/02/41/1319570241.db2.gz KZXWQGFZHMVWBL-BZHVJNSISA-N 2 2 331.229 3.214 20 10 EGCDLP Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364383 1321506858 /nfs/dbraw/zinc/50/68/58/1321506858.db2.gz GRDUQDBVVBXSTJ-AEFFLSMTSA-N 2 2 339.483 3.254 20 10 EGCDLP Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(C)n1-c1ccc(C)cc1 ZINC000843364383 1321506860 /nfs/dbraw/zinc/50/68/60/1321506860.db2.gz GRDUQDBVVBXSTJ-AEFFLSMTSA-N 2 2 339.483 3.254 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557715 1322267081 /nfs/dbraw/zinc/26/70/81/1322267081.db2.gz RZOGXGWXDVKEKD-HNAYVOBHSA-N 2 2 344.499 3.175 20 10 EGCDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834752 1377625915 /nfs/dbraw/zinc/62/59/15/1377625915.db2.gz RPNUWXSFJAQILW-HDICACEKSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834752 1377625920 /nfs/dbraw/zinc/62/59/20/1377625920.db2.gz RPNUWXSFJAQILW-HDICACEKSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834752 1377625925 /nfs/dbraw/zinc/62/59/25/1377625925.db2.gz RPNUWXSFJAQILW-HDICACEKSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4c(O)cccc4F)C[C@@H]3C2)cc1 ZINC001137834752 1377625927 /nfs/dbraw/zinc/62/59/27/1377625927.db2.gz RPNUWXSFJAQILW-HDICACEKSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1cc(Br)cc(C[N@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290501730 456345785 /nfs/dbraw/zinc/34/57/85/456345785.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP Cc1cc(Br)cc(C[N@@H+](C)CCCn2cc[nH+]c2)c1O ZINC000290501730 456345793 /nfs/dbraw/zinc/34/57/93/456345793.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000191485190 455489964 /nfs/dbraw/zinc/48/99/64/455489964.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 2 2 347.434 3.405 20 10 EGCDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000191485190 455489966 /nfs/dbraw/zinc/48/99/66/455489966.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 2 2 347.434 3.405 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000185084204 455499399 /nfs/dbraw/zinc/49/93/99/455499399.db2.gz XVGFGWBPUMMWGJ-GFCCVEGCSA-N 2 2 326.375 3.271 20 10 EGCDLP Cc1ccc(O)c(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000269160930 455801255 /nfs/dbraw/zinc/80/12/55/455801255.db2.gz URCKSIQMPNDJDD-UHFFFAOYSA-N 2 2 340.471 3.238 20 10 EGCDLP Oc1cccc2c1[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000296189334 455875808 /nfs/dbraw/zinc/87/58/08/455875808.db2.gz YLQJRVPOAAOJJZ-IBGZPJMESA-N 2 2 338.451 3.002 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1O ZINC000288443698 456096571 /nfs/dbraw/zinc/09/65/71/456096571.db2.gz MFKIIMWBIIIEGA-QAPCUYQASA-N 2 2 326.440 3.153 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1O ZINC000288443698 456096577 /nfs/dbraw/zinc/09/65/77/456096577.db2.gz MFKIIMWBIIIEGA-QAPCUYQASA-N 2 2 326.440 3.153 20 10 EGCDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(Br)c1O ZINC000105442816 1293036725 /nfs/dbraw/zinc/03/67/25/1293036725.db2.gz SNUKJHXUXDMCPZ-LLVKDONJSA-N 2 2 338.249 3.086 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccoc3)CC2)cc1 ZINC000178423326 1294732754 /nfs/dbraw/zinc/73/27/54/1294732754.db2.gz ATRCOSUSGWCYFU-KRWDZBQOSA-N 2 2 343.471 3.151 20 10 EGCDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183418 1296151682 /nfs/dbraw/zinc/15/16/82/1296151682.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183418 1296151686 /nfs/dbraw/zinc/15/16/86/1296151686.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3O)CC[C@H]21 ZINC000228183418 1296151691 /nfs/dbraw/zinc/15/16/91/1296151691.db2.gz MLYBDRGLZBETHT-SWLSCSKDSA-N 2 2 339.277 3.071 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCCCC3)CC2)cc1 ZINC000237270386 1296232919 /nfs/dbraw/zinc/23/29/19/1296232919.db2.gz HXXPGXBUPJECCM-UHFFFAOYSA-N 2 2 331.504 3.130 20 10 EGCDLP C[N@@H+](Cc1cc(Br)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000715756475 1298285161 /nfs/dbraw/zinc/28/51/61/1298285161.db2.gz DEPGMWKMHCAQKA-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[N@H+](Cc1cc(Br)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC000715756475 1298285175 /nfs/dbraw/zinc/28/51/75/1298285175.db2.gz DEPGMWKMHCAQKA-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609969 1300532267 /nfs/dbraw/zinc/53/22/67/1300532267.db2.gz GRGBTDPVZHKHOR-GVXVVHGQSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609969 1300532272 /nfs/dbraw/zinc/53/22/72/1300532272.db2.gz GRGBTDPVZHKHOR-GVXVVHGQSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648908 1301720401 /nfs/dbraw/zinc/72/04/01/1301720401.db2.gz JYTWLMIZZZQCMS-ZIAGYGMSSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648908 1301720412 /nfs/dbraw/zinc/72/04/12/1301720412.db2.gz JYTWLMIZZZQCMS-ZIAGYGMSSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450906 1302266150 /nfs/dbraw/zinc/26/61/50/1302266150.db2.gz SEYCILYUIRTIRW-GJZGRUSLSA-N 2 2 339.911 3.167 20 10 EGCDLP COc1cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(O)cc1C ZINC000773334108 1303664066 /nfs/dbraw/zinc/66/40/66/1303664066.db2.gz LXNNZKGFFCIVHB-UHFFFAOYSA-N 2 2 342.439 3.456 20 10 EGCDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1Cl ZINC000825332023 1320328902 /nfs/dbraw/zinc/32/89/02/1320328902.db2.gz VBXJXSLVZRROJC-UHFFFAOYSA-N 2 2 340.895 3.333 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806132469 1317463573 /nfs/dbraw/zinc/46/35/73/1317463573.db2.gz WQSYGYQQWRQVHV-WMLDXEAASA-N 2 2 339.911 3.112 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817981794 1319485286 /nfs/dbraw/zinc/48/52/86/1319485286.db2.gz NSWQCZXNBYTRDP-NGZCFLSTSA-N 2 2 331.229 3.072 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CSCCc3ccccc32)cc1 ZINC000817943582 1319470424 /nfs/dbraw/zinc/47/04/24/1319470424.db2.gz VQOZDBXZZFPWJC-UXHICEINSA-N 2 2 341.524 3.373 20 10 EGCDLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817953799 1319475630 /nfs/dbraw/zinc/47/56/30/1319475630.db2.gz RNNYJOLVDMBDIH-JTQLQIEISA-N 2 2 333.245 3.333 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954842 1319476910 /nfs/dbraw/zinc/47/69/10/1319476910.db2.gz LEWBJYGGQCKEAA-BEFAXECRSA-N 2 2 343.446 3.013 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000817960936 1319478438 /nfs/dbraw/zinc/47/84/38/1319478438.db2.gz UQYPMCOFATVXOX-SECBINFHSA-N 2 2 333.245 3.462 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1O ZINC000817976895 1319483925 /nfs/dbraw/zinc/48/39/25/1319483925.db2.gz WNXLIFROJWKDRD-LKFCYVNXSA-N 2 2 343.240 3.087 20 10 EGCDLP CC(C)Oc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841044841 1321208530 /nfs/dbraw/zinc/20/85/30/1321208530.db2.gz YYNAZCTXTMCZNM-HXUWFJFHSA-N 2 2 327.472 3.329 20 10 EGCDLP CC(C)Oc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841043620 1321208716 /nfs/dbraw/zinc/20/87/16/1321208716.db2.gz PRJKDERRIYHMTC-FQEVSTJZSA-N 2 2 327.472 3.329 20 10 EGCDLP C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1CC[NH3+] ZINC000844902317 1321656123 /nfs/dbraw/zinc/65/61/23/1321656123.db2.gz PGTKXOCCFKXLDA-BXUZGUMPSA-N 2 2 327.266 3.104 20 10 EGCDLP Cc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1C ZINC000849349750 1322116935 /nfs/dbraw/zinc/11/69/35/1322116935.db2.gz IAKGCUFRJPCXBZ-RTBURBONSA-N 2 2 328.431 3.383 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(cc1O)CCCC2 ZINC000850557708 1322267357 /nfs/dbraw/zinc/26/73/57/1322267357.db2.gz RZOGXGWXDVKEKD-BEFAXECRSA-N 2 2 344.499 3.175 20 10 EGCDLP Oc1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000862228394 1329468219 /nfs/dbraw/zinc/46/82/19/1329468219.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000862228394 1329468223 /nfs/dbraw/zinc/46/82/23/1329468223.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 2 2 336.233 3.257 20 10 EGCDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946477 1370613018 /nfs/dbraw/zinc/61/30/18/1370613018.db2.gz OPNHJJVRJAQXSS-HXUWFJFHSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204946477 1370613023 /nfs/dbraw/zinc/61/30/23/1370613023.db2.gz OPNHJJVRJAQXSS-HXUWFJFHSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1[NH3+] ZINC001205871991 1370897090 /nfs/dbraw/zinc/89/70/90/1370897090.db2.gz BJBCJXLQSSCSNF-BEFAXECRSA-N 2 2 326.440 3.140 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1[NH3+] ZINC001205871991 1370897094 /nfs/dbraw/zinc/89/70/94/1370897094.db2.gz BJBCJXLQSSCSNF-BEFAXECRSA-N 2 2 326.440 3.140 20 10 EGCDLP COc1cc(O)c(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001232270356 1376427949 /nfs/dbraw/zinc/42/79/49/1376427949.db2.gz AJUVHAWZQZUTHO-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP COc1cc(O)c(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1Cl ZINC001232270356 1376427953 /nfs/dbraw/zinc/42/79/53/1376427953.db2.gz AJUVHAWZQZUTHO-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC[NH+](C)CC1 ZINC001138336448 1377704608 /nfs/dbraw/zinc/70/46/08/1377704608.db2.gz AODHQRAKXFGWJQ-UHFFFAOYSA-N 2 2 343.515 3.007 20 10 EGCDLP CC[N@@H+](Cc1cc2c3c(c1O)CCCN3CCC2)C1CC[NH+](C)CC1 ZINC001138336448 1377704610 /nfs/dbraw/zinc/70/46/10/1377704610.db2.gz AODHQRAKXFGWJQ-UHFFFAOYSA-N 2 2 343.515 3.007 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+]CC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001163088290 1382961763 /nfs/dbraw/zinc/96/17/63/1382961763.db2.gz CBEJQFQNNWQFOR-KRWDZBQOSA-N 2 2 325.456 3.275 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1O ZINC000184913231 455471332 /nfs/dbraw/zinc/47/13/32/455471332.db2.gz PTESCXVSFSUDHO-LLVKDONJSA-N 2 2 339.277 3.432 20 10 EGCDLP COc1cccc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000156775351 455149676 /nfs/dbraw/zinc/14/96/76/455149676.db2.gz WMTCQEMKXXBJSV-QAPCUYQASA-N 2 2 326.440 3.011 20 10 EGCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185014406 455487181 /nfs/dbraw/zinc/48/71/81/455487181.db2.gz LMHPYOSHYBMGCS-OAHLLOKOSA-N 2 2 339.911 3.114 20 10 EGCDLP C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)Cn1cc[nH+]c1 ZINC000279898261 455876430 /nfs/dbraw/zinc/87/64/30/455876430.db2.gz LAYGMLBYBNUVHE-ZDUSSCGKSA-N 2 2 340.393 3.394 20 10 EGCDLP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(Cl)c1O ZINC000287598066 456073771 /nfs/dbraw/zinc/07/37/71/456073771.db2.gz IMOQRPVSJPPABS-KRWDZBQOSA-N 2 2 339.911 3.114 20 10 EGCDLP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1O ZINC000287598066 456073774 /nfs/dbraw/zinc/07/37/74/456073774.db2.gz IMOQRPVSJPPABS-KRWDZBQOSA-N 2 2 339.911 3.114 20 10 EGCDLP COc1cccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290334024 456295225 /nfs/dbraw/zinc/29/52/25/456295225.db2.gz DXPBKCATBGAJMM-UHFFFAOYSA-N 2 2 330.428 3.090 20 10 EGCDLP COc1cccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1O ZINC000290334024 456295230 /nfs/dbraw/zinc/29/52/30/456295230.db2.gz DXPBKCATBGAJMM-UHFFFAOYSA-N 2 2 330.428 3.090 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000873238752 1297380426 /nfs/dbraw/zinc/38/04/26/1297380426.db2.gz FTTFMABKSCJKKZ-GMTAPVOTSA-N 2 2 345.256 3.462 20 10 EGCDLP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(Br)c1O ZINC000395663514 1297686328 /nfs/dbraw/zinc/68/63/28/1297686328.db2.gz GWGOIFOYWXVZKO-UHFFFAOYSA-N 2 2 329.282 3.365 20 10 EGCDLP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476427 1299327283 /nfs/dbraw/zinc/32/72/83/1299327283.db2.gz DLKPGHBVZWFYAI-FQEVSTJZSA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476427 1299327293 /nfs/dbraw/zinc/32/72/93/1299327293.db2.gz DLKPGHBVZWFYAI-FQEVSTJZSA-N 2 2 340.467 3.081 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC3CCC3)CC2)cc1 ZINC000764676022 1302115551 /nfs/dbraw/zinc/11/55/51/1302115551.db2.gz NRVKTKWLEWNILY-SFHVURJKSA-N 2 2 345.531 3.376 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1O ZINC000779061223 1304524211 /nfs/dbraw/zinc/52/42/11/1304524211.db2.gz KEPKVWBKHVZPPI-CMPLNLGQSA-N 2 2 336.233 3.017 20 10 EGCDLP CC(C)(C[NH2+]Cc1cccc(Br)c1O)C[NH+]1CCCC1 ZINC000791010670 1308908657 /nfs/dbraw/zinc/90/86/57/1308908657.db2.gz HNIBKMTVAMOLDU-UHFFFAOYSA-N 2 2 341.293 3.366 20 10 EGCDLP COc1cc(C)cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000795752547 1309827375 /nfs/dbraw/zinc/82/73/75/1309827375.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 2 2 332.444 3.256 20 10 EGCDLP COc1cc(C)cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)c1O ZINC000795752547 1309827385 /nfs/dbraw/zinc/82/73/85/1309827385.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 2 2 332.444 3.256 20 10 EGCDLP COc1cc(C)cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)c1O ZINC000795752547 1309827392 /nfs/dbraw/zinc/82/73/92/1309827392.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 2 2 332.444 3.256 20 10 EGCDLP COc1cc(C)cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)c1O ZINC000795752547 1309827395 /nfs/dbraw/zinc/82/73/95/1309827395.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 2 2 332.444 3.256 20 10 EGCDLP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(Cl)c1O ZINC000806131912 1317463329 /nfs/dbraw/zinc/46/33/29/1317463329.db2.gz OSUYMHXIMNGCOI-KRWDZBQOSA-N 2 2 339.911 3.114 20 10 EGCDLP Oc1c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc2ccccc21 ZINC000816549297 1319180208 /nfs/dbraw/zinc/18/02/08/1319180208.db2.gz JRKGTRZCQNASDJ-LJQANCHMSA-N 2 2 340.467 3.278 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938408 1319466980 /nfs/dbraw/zinc/46/69/80/1319466980.db2.gz JYIMKWCIQWVQKF-IERDGZPVSA-N 2 2 349.482 3.289 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CSCCc3ccccc32)cc1 ZINC000817943583 1319470775 /nfs/dbraw/zinc/47/07/75/1319470775.db2.gz VQOZDBXZZFPWJC-VQTJNVASSA-N 2 2 341.524 3.373 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817969510 1319480911 /nfs/dbraw/zinc/48/09/11/1319480911.db2.gz VRZHQLDIFZVWPV-VHSXEESVSA-N 2 2 331.229 3.087 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)ccc1O ZINC000817980817 1319483873 /nfs/dbraw/zinc/48/38/73/1319483873.db2.gz DVHGEUBBKKAVEE-YGRLFVJLSA-N 2 2 327.266 3.323 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)cc(F)c1O ZINC000817976570 1319484190 /nfs/dbraw/zinc/48/41/90/1319484190.db2.gz NUFVIWOQMOUTNW-TVQRCGJNSA-N 2 2 343.240 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)cc(F)c1O ZINC000817981727 1319485337 /nfs/dbraw/zinc/48/53/37/1319485337.db2.gz NFKBNCAGCNINSB-XPTSAGLGSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)cc(F)c1O ZINC000817981728 1319485647 /nfs/dbraw/zinc/48/56/47/1319485647.db2.gz NFKBNCAGCNINSB-YMTOWFKASA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1O ZINC000841757264 1321307122 /nfs/dbraw/zinc/30/71/22/1321307122.db2.gz CTJIEDPXNTWKJS-KGLIPLIRSA-N 2 2 338.879 3.197 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055558 1321463050 /nfs/dbraw/zinc/46/30/50/1321463050.db2.gz LAMXCLNZILSAGZ-GOSISDBHSA-N 2 2 326.440 3.155 20 10 EGCDLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000843055558 1321463053 /nfs/dbraw/zinc/46/30/53/1321463053.db2.gz LAMXCLNZILSAGZ-GOSISDBHSA-N 2 2 326.440 3.155 20 10 EGCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000850558091 1322266974 /nfs/dbraw/zinc/26/69/74/1322266974.db2.gz PUBYWGSVDQGONZ-XJKSGUPXSA-N 2 2 338.879 3.258 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001203664277 1370207402 /nfs/dbraw/zinc/20/74/02/1370207402.db2.gz VGZJJUGYXCEJGT-UHFFFAOYSA-N 2 2 326.843 3.444 20 10 EGCDLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001204931315 1370608111 /nfs/dbraw/zinc/60/81/11/1370608111.db2.gz ABWIBBJOECQKPR-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cc(OCc2ccccc2)ccc1O ZINC001204931315 1370608113 /nfs/dbraw/zinc/60/81/13/1370608113.db2.gz ABWIBBJOECQKPR-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)CC[C@H]1C[NH3+] ZINC001205638773 1370822882 /nfs/dbraw/zinc/82/28/82/1370822882.db2.gz RVPLFJFDIPLOAI-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC[C@H]1C[NH3+] ZINC001205638773 1370822885 /nfs/dbraw/zinc/82/28/85/1370822885.db2.gz RVPLFJFDIPLOAI-MNOVXSKESA-N 2 2 345.256 3.101 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240123 1376944840 /nfs/dbraw/zinc/94/48/40/1376944840.db2.gz KOZHWOXIPHXRDI-INIZCTEOSA-N 2 2 328.456 3.293 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240123 1376944852 /nfs/dbraw/zinc/94/48/52/1376944852.db2.gz KOZHWOXIPHXRDI-INIZCTEOSA-N 2 2 328.456 3.293 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240124 1376944989 /nfs/dbraw/zinc/94/49/89/1376944989.db2.gz KOZHWOXIPHXRDI-MRXNPFEDSA-N 2 2 328.456 3.293 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)ccc2O1 ZINC001236240124 1376945006 /nfs/dbraw/zinc/94/50/06/1376945006.db2.gz KOZHWOXIPHXRDI-MRXNPFEDSA-N 2 2 328.456 3.293 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001137832631 1377623876 /nfs/dbraw/zinc/62/38/76/1377623876.db2.gz BQHQTNLCEVJEBD-ZIAGYGMSSA-N 2 2 332.444 3.157 20 10 EGCDLP COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc(C[NH+](C)C)c1O ZINC001139253527 1377857869 /nfs/dbraw/zinc/85/78/69/1377857869.db2.gz XCYIPSLMNUZSRW-QGZVFWFLSA-N 2 2 345.443 3.096 20 10 EGCDLP COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc(C[NH+](C)C)c1O ZINC001139253527 1377857872 /nfs/dbraw/zinc/85/78/72/1377857872.db2.gz XCYIPSLMNUZSRW-QGZVFWFLSA-N 2 2 345.443 3.096 20 10 EGCDLP CCOc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC001319611630 1386209387 /nfs/dbraw/zinc/20/93/87/1386209387.db2.gz GETPCPTVHGHCPV-GOSISDBHSA-N 2 2 331.504 3.082 20 10 EGCDLP CCOc1ccc(N2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC001319611630 1386209392 /nfs/dbraw/zinc/20/93/92/1386209392.db2.gz GETPCPTVHGHCPV-GOSISDBHSA-N 2 2 331.504 3.082 20 10 EGCDLP COc1ccc(N2CCC([NH2+]CC[NH+]3CCCCCC3)CC2)cc1 ZINC000123982085 454692386 /nfs/dbraw/zinc/69/23/86/454692386.db2.gz HMAGIQFZMANJNN-UHFFFAOYSA-N 2 2 331.504 3.130 20 10 EGCDLP Oc1cccc(Cl)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000113324095 454922653 /nfs/dbraw/zinc/92/26/53/454922653.db2.gz FUFMPVXLHYJSCE-UHFFFAOYSA-N 2 2 346.858 3.168 20 10 EGCDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549969 455194066 /nfs/dbraw/zinc/19/40/66/455194066.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549969 455194071 /nfs/dbraw/zinc/19/40/71/455194071.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549969 455194074 /nfs/dbraw/zinc/19/40/74/455194074.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549969 455194076 /nfs/dbraw/zinc/19/40/76/455194076.db2.gz FKWCHRUQILPNEK-CYBMUJFWSA-N 2 2 341.293 3.237 20 10 EGCDLP COc1ccc(O)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1 ZINC000181346679 455321273 /nfs/dbraw/zinc/32/12/73/455321273.db2.gz FAVZMQOEQVLKSN-UHFFFAOYSA-N 2 2 325.412 3.010 20 10 EGCDLP COc1cc(O)c(C[N@H+](C)Cc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000183781504 455328128 /nfs/dbraw/zinc/32/81/28/455328128.db2.gz JYTDBLFLEIVZFV-UHFFFAOYSA-N 2 2 346.427 3.062 20 10 EGCDLP COc1cc(O)c(C[N@@H+](C)Cc2[nH+]cc(C)c(OC)c2C)cc1OC ZINC000183781504 455328134 /nfs/dbraw/zinc/32/81/34/455328134.db2.gz JYTDBLFLEIVZFV-UHFFFAOYSA-N 2 2 346.427 3.062 20 10 EGCDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699891 455431312 /nfs/dbraw/zinc/43/13/12/455431312.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699891 455431315 /nfs/dbraw/zinc/43/13/15/455431315.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699891 455431316 /nfs/dbraw/zinc/43/13/16/455431316.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699891 455431319 /nfs/dbraw/zinc/43/13/19/455431319.db2.gz SWXDXHPXIDARPV-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cc(F)ccc1O ZINC000185054146 455492685 /nfs/dbraw/zinc/49/26/85/455492685.db2.gz WPTPUYIIXUHYGB-CQSZACIVSA-N 2 2 329.419 3.242 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cc(F)ccc1O ZINC000185054123 455492709 /nfs/dbraw/zinc/49/27/09/455492709.db2.gz WPTPUYIIXUHYGB-AWEZNQCLSA-N 2 2 329.419 3.242 20 10 EGCDLP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000185063173 455493682 /nfs/dbraw/zinc/49/36/82/455493682.db2.gz GELJSUUDYOYNOH-QGZVFWFLSA-N 2 2 340.467 3.384 20 10 EGCDLP Cc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000273497403 456234537 /nfs/dbraw/zinc/23/45/37/456234537.db2.gz PMADAZOXZGQLOK-WBVHZDCISA-N 2 2 340.471 3.409 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000273587811 456239626 /nfs/dbraw/zinc/23/96/26/456239626.db2.gz OFIQUJOBOVSGBC-AWEZNQCLSA-N 2 2 346.471 3.236 20 10 EGCDLP COc1cccc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1O ZINC000362086133 458029108 /nfs/dbraw/zinc/02/91/08/458029108.db2.gz KROWDIROXACGSY-INIZCTEOSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1cccc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1O ZINC000362086133 458029114 /nfs/dbraw/zinc/02/91/14/458029114.db2.gz KROWDIROXACGSY-INIZCTEOSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(C)CC3)CC2)cc1 ZINC000726708460 574567597 /nfs/dbraw/zinc/56/75/97/574567597.db2.gz NXRYWKDYYIRYQI-UHFFFAOYSA-N 2 2 345.531 3.376 20 10 EGCDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882942657 1302175655 /nfs/dbraw/zinc/17/56/55/1302175655.db2.gz KVXZWSMILWWREA-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000882942657 1302175661 /nfs/dbraw/zinc/17/56/61/1302175661.db2.gz KVXZWSMILWWREA-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000765257421 1302230817 /nfs/dbraw/zinc/23/08/17/1302230817.db2.gz YECTXVAOEQZIFB-KRWDZBQOSA-N 2 2 331.504 3.128 20 10 EGCDLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788527387 1305963741 /nfs/dbraw/zinc/96/37/41/1305963741.db2.gz TYAHTQITVSNLSY-GFCCVEGCSA-N 2 2 334.382 3.030 20 10 EGCDLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788527387 1305963749 /nfs/dbraw/zinc/96/37/49/1305963749.db2.gz TYAHTQITVSNLSY-GFCCVEGCSA-N 2 2 334.382 3.030 20 10 EGCDLP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000806129268 1317461945 /nfs/dbraw/zinc/46/19/45/1317461945.db2.gz DBWLUHWCIDHFBG-INIZCTEOSA-N 2 2 339.911 3.112 20 10 EGCDLP C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C[NH+](C)C ZINC000813877201 1318648318 /nfs/dbraw/zinc/64/83/18/1318648318.db2.gz NZMBZUYZWMCBFM-ZJUUUORDSA-N 2 2 333.245 3.142 20 10 EGCDLP CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817890006 1319451387 /nfs/dbraw/zinc/45/13/87/1319451387.db2.gz VYHHHMKKSXBLPA-OHQAAIJDSA-N 2 2 349.494 3.060 20 10 EGCDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897971 1319455758 /nfs/dbraw/zinc/45/57/58/1319455758.db2.gz YEPCWSWSWDVFAT-MJGOQNOKSA-N 2 2 345.531 3.312 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939454 1319468722 /nfs/dbraw/zinc/46/87/22/1319468722.db2.gz BIMHSJWDWXKLRH-WOJBJXKFSA-N 2 2 325.456 3.125 20 10 EGCDLP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817940645 1319468773 /nfs/dbraw/zinc/46/87/73/1319468773.db2.gz GKCFSBJEYCTBAJ-CVEARBPZSA-N 2 2 330.501 3.185 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954843 1319476180 /nfs/dbraw/zinc/47/61/80/1319476180.db2.gz LEWBJYGGQCKEAA-DNVCBOLYSA-N 2 2 343.446 3.013 20 10 EGCDLP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817976424 1319483678 /nfs/dbraw/zinc/48/36/78/1319483678.db2.gz LVGVYLPAHYXWQZ-UWVGGRQHSA-N 2 2 333.245 3.462 20 10 EGCDLP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041775 1321207620 /nfs/dbraw/zinc/20/76/20/1321207620.db2.gz BUYKSAUSVIFTIP-FQEVSTJZSA-N 2 2 349.482 3.036 20 10 EGCDLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1O ZINC000849350050 1322116721 /nfs/dbraw/zinc/11/67/21/1322116721.db2.gz OFNXRTBRUCMYAR-QZTJIDSGSA-N 2 2 344.430 3.165 20 10 EGCDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(O)cccc1Br ZINC000862367801 1329478415 /nfs/dbraw/zinc/47/84/15/1329478415.db2.gz VORGYCRZVUIDDL-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862367801 1329478416 /nfs/dbraw/zinc/47/84/16/1329478416.db2.gz VORGYCRZVUIDDL-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)cc(C)c1O ZINC001233110562 1376571303 /nfs/dbraw/zinc/57/13/03/1376571303.db2.gz FXSKVHCSSDNSSS-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP Cc1cc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240169 1376944510 /nfs/dbraw/zinc/94/45/10/1376944510.db2.gz LJFNTBOYIBQBTI-AWEZNQCLSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c(O)cc1Br ZINC001236240169 1376944516 /nfs/dbraw/zinc/94/45/16/1376944516.db2.gz LJFNTBOYIBQBTI-AWEZNQCLSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358970 1377709205 /nfs/dbraw/zinc/70/92/05/1377709205.db2.gz FPYGGRYKYZVKPO-LJQANCHMSA-N 2 2 337.467 3.426 20 10 EGCDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358970 1377709206 /nfs/dbraw/zinc/70/92/06/1377709206.db2.gz FPYGGRYKYZVKPO-LJQANCHMSA-N 2 2 337.467 3.426 20 10 EGCDLP Oc1cc(Cl)ccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140467503 1378069129 /nfs/dbraw/zinc/06/91/29/1378069129.db2.gz RTUMPGKSWFBWEK-HOTGVXAUSA-N 2 2 343.858 3.004 20 10 EGCDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837943 1378188581 /nfs/dbraw/zinc/18/85/81/1378188581.db2.gz JYHGNISQMKPLGR-MRXNPFEDSA-N 2 2 328.378 3.329 20 10 EGCDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837943 1378188585 /nfs/dbraw/zinc/18/85/85/1378188585.db2.gz JYHGNISQMKPLGR-MRXNPFEDSA-N 2 2 328.378 3.329 20 10 EGCDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837943 1378188589 /nfs/dbraw/zinc/18/85/89/1378188589.db2.gz JYHGNISQMKPLGR-MRXNPFEDSA-N 2 2 328.378 3.329 20 10 EGCDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837943 1378188593 /nfs/dbraw/zinc/18/85/93/1378188593.db2.gz JYHGNISQMKPLGR-MRXNPFEDSA-N 2 2 328.378 3.329 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000130692233 454213390 /nfs/dbraw/zinc/21/33/90/454213390.db2.gz AZCMBYVRKNTLCB-UHFFFAOYSA-N 2 2 335.835 3.275 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000130692233 454213393 /nfs/dbraw/zinc/21/33/93/454213393.db2.gz AZCMBYVRKNTLCB-UHFFFAOYSA-N 2 2 335.835 3.275 20 10 EGCDLP CCCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(O)c1 ZINC000180130082 455136824 /nfs/dbraw/zinc/13/68/24/455136824.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 2 2 329.444 3.351 20 10 EGCDLP CCCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(O)c1 ZINC000180130082 455136826 /nfs/dbraw/zinc/13/68/26/455136826.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 2 2 329.444 3.351 20 10 EGCDLP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000287768761 456077513 /nfs/dbraw/zinc/07/75/13/456077513.db2.gz RLFZRIGHWLUYBZ-KRWDZBQOSA-N 2 2 339.911 3.114 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1O ZINC000287770033 456077680 /nfs/dbraw/zinc/07/76/80/456077680.db2.gz RLIQJGLEZDWWNM-SWLSCSKDSA-N 2 2 347.286 3.196 20 10 EGCDLP CC[NH+]1CCN(c2ccc(CNc3cc(C)cc[nH+]3)cc2F)CC1 ZINC000301633077 456168602 /nfs/dbraw/zinc/16/86/02/456168602.db2.gz JWIXWOSUERUXPS-UHFFFAOYSA-N 2 2 328.435 3.283 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cc(F)ccc1O ZINC000273514684 456236216 /nfs/dbraw/zinc/23/62/16/456236216.db2.gz SFLWKUQUQLKPMN-BBRMVZONSA-N 2 2 344.434 3.240 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000366053417 457790301 /nfs/dbraw/zinc/79/03/01/457790301.db2.gz WHLGENKOYUCBHC-OAHLLOKOSA-N 2 2 334.803 3.103 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000366053417 457790311 /nfs/dbraw/zinc/79/03/11/457790311.db2.gz WHLGENKOYUCBHC-OAHLLOKOSA-N 2 2 334.803 3.103 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000726707682 574567404 /nfs/dbraw/zinc/56/74/04/574567404.db2.gz FLXLYGZSCOSSPO-RBUKOAKNSA-N 2 2 345.531 3.376 20 10 EGCDLP CCOc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c(O)c1 ZINC000736642375 575997295 /nfs/dbraw/zinc/99/72/95/575997295.db2.gz VFPDQGPACVLMBN-UHFFFAOYSA-N 2 2 339.439 3.400 20 10 EGCDLP Cc1ccc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c1 ZINC000121737322 1293387134 /nfs/dbraw/zinc/38/71/34/1293387134.db2.gz AVGYYZNVIMYSGP-UHFFFAOYSA-N 2 2 340.471 3.245 20 10 EGCDLP C[NH+](C)C1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000715575092 1298281845 /nfs/dbraw/zinc/28/18/45/1298281845.db2.gz WPUUFUCRRWVHBY-UHFFFAOYSA-N 2 2 327.266 3.117 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648602 1301721048 /nfs/dbraw/zinc/72/10/48/1301721048.db2.gz JYTWLMIZZZQCMS-UONOGXRCSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762648602 1301721054 /nfs/dbraw/zinc/72/10/54/1301721054.db2.gz JYTWLMIZZZQCMS-UONOGXRCSA-N 2 2 326.868 3.197 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000764934629 1302169839 /nfs/dbraw/zinc/16/98/39/1302169839.db2.gz VQBGNMBRCNYTTR-ZWKOTPCHSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000764934629 1302169848 /nfs/dbraw/zinc/16/98/48/1302169848.db2.gz VQBGNMBRCNYTTR-ZWKOTPCHSA-N 2 2 345.531 3.374 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1c(O)cccc1F ZINC000886493457 1303475827 /nfs/dbraw/zinc/47/58/27/1303475827.db2.gz MPHKLGKELAGOLO-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP COc1cc(C)cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1O ZINC000896191512 1309737629 /nfs/dbraw/zinc/73/76/29/1309737629.db2.gz ASJVFJNUCLMJTN-UHFFFAOYSA-N 2 2 327.428 3.181 20 10 EGCDLP c1cn(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)c[nH+]1 ZINC000796254685 1309945346 /nfs/dbraw/zinc/94/53/46/1309945346.db2.gz CLLWAISYXKUHSO-UHFFFAOYSA-N 2 2 332.451 3.236 20 10 EGCDLP COc1cccc(O)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809749344 1317890526 /nfs/dbraw/zinc/89/05/26/1317890526.db2.gz MTWYATXHFLOBPM-UHFFFAOYSA-N 2 2 329.444 3.290 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938837 1319467049 /nfs/dbraw/zinc/46/70/49/1319467049.db2.gz UIIFZQGTGGQXOF-QRWLVFNGSA-N 2 2 326.488 3.169 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940555 1319468211 /nfs/dbraw/zinc/46/82/11/1319468211.db2.gz JUMWDMIEZZTDPU-YWZLYKJASA-N 2 2 327.472 3.420 20 10 EGCDLP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942741 1319470131 /nfs/dbraw/zinc/47/01/31/1319470131.db2.gz QSMLQSSXPRAOKL-BLLLJJGKSA-N 2 2 332.517 3.431 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000817944354 1319472455 /nfs/dbraw/zinc/47/24/55/1319472455.db2.gz ZQSSQYOGJNEQSD-RTBURBONSA-N 2 2 325.456 3.256 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855924 1320291209 /nfs/dbraw/zinc/29/12/09/1320291209.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855924 1320291215 /nfs/dbraw/zinc/29/12/15/1320291215.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855924 1320291217 /nfs/dbraw/zinc/29/12/17/1320291217.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2O)C[C@@H]1C ZINC000824855924 1320291222 /nfs/dbraw/zinc/29/12/22/1320291222.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1cc(Br)ccc1O ZINC000824913384 1320295575 /nfs/dbraw/zinc/29/55/75/1320295575.db2.gz QSHOIFAFDOQECP-UHFFFAOYSA-N 2 2 338.249 3.219 20 10 EGCDLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1cc(Br)ccc1O ZINC000824913384 1320295580 /nfs/dbraw/zinc/29/55/80/1320295580.db2.gz QSHOIFAFDOQECP-UHFFFAOYSA-N 2 2 338.249 3.219 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841041374 1321207289 /nfs/dbraw/zinc/20/72/89/1321207289.db2.gz HOSGXVCMUCJAMC-IJEWVQPXSA-N 2 2 329.410 3.463 20 10 EGCDLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1SC ZINC000841042353 1321208002 /nfs/dbraw/zinc/20/80/02/1321208002.db2.gz IOYUZAANRMGDJT-QGZVFWFLSA-N 2 2 345.512 3.273 20 10 EGCDLP COc1cccc2cc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)oc21 ZINC000841046046 1321209430 /nfs/dbraw/zinc/20/94/30/1321209430.db2.gz VGBVRIROAHLIFL-GOSISDBHSA-N 2 2 339.439 3.297 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000841085735 1321216322 /nfs/dbraw/zinc/21/63/22/1321216322.db2.gz BWMNYMZUVCOZNB-CQSZACIVSA-N 2 2 327.266 3.070 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123095 1321473552 /nfs/dbraw/zinc/47/35/52/1321473552.db2.gz GUMACCBRWFSXQP-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123095 1321473554 /nfs/dbraw/zinc/47/35/54/1321473554.db2.gz GUMACCBRWFSXQP-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP COc1cccc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000846137812 1321770011 /nfs/dbraw/zinc/77/00/11/1321770011.db2.gz HIIDHPMYKJFDIU-OAHLLOKOSA-N 2 2 337.423 3.496 20 10 EGCDLP CCc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1O ZINC000848893528 1322032638 /nfs/dbraw/zinc/03/26/38/1322032638.db2.gz FZTDSHCZBVIDDW-UHFFFAOYSA-N 2 2 340.467 3.077 20 10 EGCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850556749 1322266019 /nfs/dbraw/zinc/26/60/19/1322266019.db2.gz JBAPUGWPTPVTBS-OXQOHEQNSA-N 2 2 331.504 3.047 20 10 EGCDLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)cc(F)c1O ZINC000854222034 1325230552 /nfs/dbraw/zinc/23/05/52/1325230552.db2.gz BUKMYVJQQJTEJT-VIFPVBQESA-N 2 2 331.229 3.216 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862347056 1329476468 /nfs/dbraw/zinc/47/64/68/1329476468.db2.gz KUMZNHIRFWHUPM-LBPRGKRZSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862347056 1329476469 /nfs/dbraw/zinc/47/64/69/1329476469.db2.gz KUMZNHIRFWHUPM-LBPRGKRZSA-N 2 2 327.266 3.071 20 10 EGCDLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC001324489929 1387644619 /nfs/dbraw/zinc/64/46/19/1387644619.db2.gz RFIWYRSWFRRUIF-QGZVFWFLSA-N 2 2 326.488 3.249 20 10 EGCDLP Cc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC001324489929 1387644626 /nfs/dbraw/zinc/64/46/26/1387644626.db2.gz RFIWYRSWFRRUIF-QGZVFWFLSA-N 2 2 326.488 3.249 20 10 EGCDLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(O)cc(F)cc2F)CC1 ZINC001206749280 1371153148 /nfs/dbraw/zinc/15/31/48/1371153148.db2.gz CHSMXIVHLYOKSL-UHFFFAOYSA-N 2 2 332.394 3.163 20 10 EGCDLP Cc1cc(O)c(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1Cl ZINC001119450698 1371345977 /nfs/dbraw/zinc/34/59/77/1371345977.db2.gz MDWYIQDLSAXDFO-UHFFFAOYSA-N 2 2 338.879 3.087 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001139408779 1377880633 /nfs/dbraw/zinc/88/06/33/1377880633.db2.gz DAGZVCRTMONLHB-UHFFFAOYSA-N 2 2 325.431 3.093 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4cccc(F)c4C3)cc2)CC1 ZINC001139408779 1377880634 /nfs/dbraw/zinc/88/06/34/1377880634.db2.gz DAGZVCRTMONLHB-UHFFFAOYSA-N 2 2 325.431 3.093 20 10 EGCDLP CCN(CC)c1ccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c(O)c1 ZINC001140853459 1378158381 /nfs/dbraw/zinc/15/83/81/1378158381.db2.gz YMFDHGVRDODXCN-UHFFFAOYSA-N 2 2 343.515 3.156 20 10 EGCDLP CCN(CC)c1ccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c(O)c1 ZINC001140853459 1378158383 /nfs/dbraw/zinc/15/83/83/1378158383.db2.gz YMFDHGVRDODXCN-UHFFFAOYSA-N 2 2 343.515 3.156 20 10 EGCDLP C[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159185 1378253068 /nfs/dbraw/zinc/25/30/68/1378253068.db2.gz BJEBFTWKFBUOJZ-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159185 1378253072 /nfs/dbraw/zinc/25/30/72/1378253072.db2.gz BJEBFTWKFBUOJZ-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP COCC[N@H+](Cc1cccc(C(C)(C)C)c1O)C1CC[NH+](C)CC1 ZINC001143110655 1378542412 /nfs/dbraw/zinc/54/24/12/1378542412.db2.gz NDQSXVCECBDZKD-UHFFFAOYSA-N 2 2 334.504 3.232 20 10 EGCDLP COCC[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CC[NH+](C)CC1 ZINC001143110655 1378542414 /nfs/dbraw/zinc/54/24/14/1378542414.db2.gz NDQSXVCECBDZKD-UHFFFAOYSA-N 2 2 334.504 3.232 20 10 EGCDLP CC(C)[NH2+]C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000179831606 455085908 /nfs/dbraw/zinc/08/59/08/455085908.db2.gz GYVVGGQVJGTDFV-UHFFFAOYSA-N 2 2 327.266 3.117 20 10 EGCDLP CC[NH+]1CCN(c2ccc(CNc3cccc(C)[nH+]3)cc2F)CC1 ZINC000157472168 455198562 /nfs/dbraw/zinc/19/85/62/455198562.db2.gz FWLVYJCROWWERC-UHFFFAOYSA-N 2 2 328.435 3.283 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1O ZINC000273536969 456237373 /nfs/dbraw/zinc/23/73/73/456237373.db2.gz XOJXOZVMXSUQTC-CJNGLKHVSA-N 2 2 344.434 3.240 20 10 EGCDLP CCN(CC)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000376767708 458387000 /nfs/dbraw/zinc/38/70/00/458387000.db2.gz JULRLWZDUXLZAM-UHFFFAOYSA-N 2 2 330.451 3.495 20 10 EGCDLP C[C@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C[NH+]1CCOCC1 ZINC000738438808 576326245 /nfs/dbraw/zinc/32/62/45/576326245.db2.gz FSYBJXXDVOLCBH-QGZVFWFLSA-N 2 2 340.467 3.117 20 10 EGCDLP C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000873239697 1297382489 /nfs/dbraw/zinc/38/24/89/1297382489.db2.gz BHTBWRSITXGKCO-CKYFFXLPSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553934 1300520803 /nfs/dbraw/zinc/52/08/03/1300520803.db2.gz NIAGRWZFWKUULT-QWRGUYRKSA-N 2 2 345.256 3.286 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000756553934 1300520811 /nfs/dbraw/zinc/52/08/11/1300520811.db2.gz NIAGRWZFWKUULT-QWRGUYRKSA-N 2 2 345.256 3.286 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587768 1300526675 /nfs/dbraw/zinc/52/66/75/1300526675.db2.gz CJNNCVKMAQFMHO-GUYCJALGSA-N 2 2 336.476 3.196 20 10 EGCDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886095 1309251333 /nfs/dbraw/zinc/25/13/33/1309251333.db2.gz YOWLTYXUAGLBND-OAHLLOKOSA-N 2 2 329.410 3.345 20 10 EGCDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886095 1309251340 /nfs/dbraw/zinc/25/13/40/1309251340.db2.gz YOWLTYXUAGLBND-OAHLLOKOSA-N 2 2 329.410 3.345 20 10 EGCDLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817966186 1319479795 /nfs/dbraw/zinc/47/97/95/1319479795.db2.gz IHYWGKVIQCKYAP-MEBBXXQBSA-N 2 2 345.256 3.334 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938323 1319467365 /nfs/dbraw/zinc/46/73/65/1319467365.db2.gz JBWHYQHZZYUMDZ-KBXCAEBGSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939536 1319467966 /nfs/dbraw/zinc/46/79/66/1319467966.db2.gz CKNQBUAOZXMVCM-HNAYVOBHSA-N 2 2 326.488 3.169 20 10 EGCDLP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817966184 1319479269 /nfs/dbraw/zinc/47/92/69/1319479269.db2.gz IHYWGKVIQCKYAP-BMIGLBTASA-N 2 2 345.256 3.334 20 10 EGCDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CCC[NH2+]1 ZINC000817972989 1319482847 /nfs/dbraw/zinc/48/28/47/1319482847.db2.gz AQSAQSRGFQCLSG-YLJYHZDGSA-N 2 2 331.504 3.096 20 10 EGCDLP CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc(Cl)c1O ZINC000817974943 1319482981 /nfs/dbraw/zinc/48/29/81/1319482981.db2.gz OOBNEPIGMXYUOY-OAHLLOKOSA-N 2 2 326.868 3.103 20 10 EGCDLP Oc1cc(Br)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000824639847 1320273424 /nfs/dbraw/zinc/27/34/24/1320273424.db2.gz QUOVDUVLLALABL-UHFFFAOYSA-N 2 2 336.233 3.257 20 10 EGCDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000841036161 1321205969 /nfs/dbraw/zinc/20/59/69/1321205969.db2.gz KOWLIGJBHNSKPD-MRXNPFEDSA-N 2 2 328.412 3.034 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(F)c3cccnc23)cc1 ZINC000841044211 1321208673 /nfs/dbraw/zinc/20/86/73/1321208673.db2.gz ULDINCXEQNPJPG-LJQANCHMSA-N 2 2 338.430 3.230 20 10 EGCDLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046172 1321209469 /nfs/dbraw/zinc/20/94/69/1321209469.db2.gz XJXUYUIOGSKXEH-IBGZPJMESA-N 2 2 343.519 3.111 20 10 EGCDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838857 1321814987 /nfs/dbraw/zinc/81/49/87/1321814987.db2.gz AZINVKVYIZVVKP-XLIONFOSSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838857 1321814988 /nfs/dbraw/zinc/81/49/88/1321814988.db2.gz AZINVKVYIZVVKP-XLIONFOSSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838857 1321814991 /nfs/dbraw/zinc/81/49/91/1321814991.db2.gz AZINVKVYIZVVKP-XLIONFOSSA-N 2 2 342.483 3.268 20 10 EGCDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846838857 1321814993 /nfs/dbraw/zinc/81/49/93/1321814993.db2.gz AZINVKVYIZVVKP-XLIONFOSSA-N 2 2 342.483 3.268 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(C)c1 ZINC001209453016 1372110430 /nfs/dbraw/zinc/11/04/30/1372110430.db2.gz CSBUNGGCRQMIGA-UHFFFAOYSA-N 2 2 331.504 3.002 20 10 EGCDLP CCOc1ccc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC001209454726 1372110625 /nfs/dbraw/zinc/11/06/25/1372110625.db2.gz SNYIUKZMXPWYMN-UHFFFAOYSA-N 2 2 331.504 3.083 20 10 EGCDLP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(C)c1 ZINC001219206176 1373694042 /nfs/dbraw/zinc/69/40/42/1373694042.db2.gz UTQHSJQCJYTGKD-PEXGOXHYSA-N 2 2 337.427 3.347 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112626 1376846114 /nfs/dbraw/zinc/84/61/14/1376846114.db2.gz YQDHNZJMYKLBKI-NRFANRHFSA-N 2 2 338.451 3.299 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112626 1376846120 /nfs/dbraw/zinc/84/61/20/1376846120.db2.gz YQDHNZJMYKLBKI-NRFANRHFSA-N 2 2 338.451 3.299 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000175707268 455484983 /nfs/dbraw/zinc/48/49/83/455484983.db2.gz QCEQWRLGIAJQJQ-QGZVFWFLSA-N 2 2 334.435 3.184 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1O ZINC000175707268 455484988 /nfs/dbraw/zinc/48/49/88/455484988.db2.gz QCEQWRLGIAJQJQ-QGZVFWFLSA-N 2 2 334.435 3.184 20 10 EGCDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000185068870 455495617 /nfs/dbraw/zinc/49/56/17/455495617.db2.gz YHUSBZXCRYPHIT-OAHLLOKOSA-N 2 2 341.455 3.111 20 10 EGCDLP C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)C[NH+]1CCOCC1 ZINC000185505093 455569249 /nfs/dbraw/zinc/56/92/49/455569249.db2.gz YLQUIWSEUOXPPF-HZPDHXFCSA-N 2 2 328.456 3.164 20 10 EGCDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956693 455878984 /nfs/dbraw/zinc/87/89/84/455878984.db2.gz OWVLCIXDLQYTHJ-GFCCVEGCSA-N 2 2 326.366 3.146 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000273414890 456228186 /nfs/dbraw/zinc/22/81/86/456228186.db2.gz QQEUBYQGHVAEEM-HNNXBMFYSA-N 2 2 337.423 3.496 20 10 EGCDLP C[C@H](C[NH2+]Cc1cccc(Br)c1O)C[NH+]1CCCCC1 ZINC000048797562 1291618342 /nfs/dbraw/zinc/61/83/42/1291618342.db2.gz HAIVQMTYHHMXQE-CYBMUJFWSA-N 2 2 341.293 3.366 20 10 EGCDLP C[C@@H]1C[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2c1c(F)ccc2O ZINC000756402657 1300484495 /nfs/dbraw/zinc/48/44/95/1300484495.db2.gz NOFMYBUXIGPQCK-DOMZBBRYSA-N 2 2 329.419 3.445 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)ccc1O ZINC000756571794 1300524599 /nfs/dbraw/zinc/52/45/99/1300524599.db2.gz FOIRYDHZTIYTLP-CJNGLKHVSA-N 2 2 338.879 3.340 20 10 EGCDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775725755 1304021903 /nfs/dbraw/zinc/02/19/03/1304021903.db2.gz MSWFRRIPIWILFF-OAHLLOKOSA-N 2 2 344.858 3.117 20 10 EGCDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775725755 1304021909 /nfs/dbraw/zinc/02/19/09/1304021909.db2.gz MSWFRRIPIWILFF-OAHLLOKOSA-N 2 2 344.858 3.117 20 10 EGCDLP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817964633 1319479406 /nfs/dbraw/zinc/47/94/06/1319479406.db2.gz GPFFXFAXODYZSM-SNVBAGLBSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817970299 1319481475 /nfs/dbraw/zinc/48/14/75/1319481475.db2.gz QXZHSVLEXKBKLV-AEJSXWLSSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C[NH+](C)C ZINC000813878556 1318649192 /nfs/dbraw/zinc/64/91/92/1318649192.db2.gz PFBQWTHFABYNPJ-UWVGGRQHSA-N 2 2 333.245 3.142 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817981793 1319485294 /nfs/dbraw/zinc/48/52/94/1319485294.db2.gz NSWQCZXNBYTRDP-IQJOONFLSA-N 2 2 331.229 3.072 20 10 EGCDLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938887 1319466553 /nfs/dbraw/zinc/46/65/53/1319466553.db2.gz VASHOIXSYWCZJE-NHCUHLMSSA-N 2 2 339.483 3.428 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939452 1319467867 /nfs/dbraw/zinc/46/78/67/1319467867.db2.gz BIMHSJWDWXKLRH-VQTJNVASSA-N 2 2 325.456 3.125 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C)cc1O ZINC000817951128 1319475447 /nfs/dbraw/zinc/47/54/47/1319475447.db2.gz BUSKSEDFKWHTDA-KRWDZBQOSA-N 2 2 326.444 3.068 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817960938 1319477990 /nfs/dbraw/zinc/47/79/90/1319477990.db2.gz UQYPMCOFATVXOX-VIFPVBQESA-N 2 2 333.245 3.462 20 10 EGCDLP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817987479 1319486977 /nfs/dbraw/zinc/48/69/77/1319486977.db2.gz ZQXOGSCPDKCWHK-JTQLQIEISA-N 2 2 343.240 3.254 20 10 EGCDLP CC(C)Oc1ccccc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841039845 1321206405 /nfs/dbraw/zinc/20/64/05/1321206405.db2.gz CTTYYDVTOWOMAG-LJQANCHMSA-N 2 2 327.472 3.329 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000841040980 1321207727 /nfs/dbraw/zinc/20/77/27/1321207727.db2.gz WTKUBGMAVFRPRP-KRWDZBQOSA-N 2 2 348.288 3.305 20 10 EGCDLP CC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051939 1321461698 /nfs/dbraw/zinc/46/16/98/1321461698.db2.gz JDXSOUNFYQQZQU-BXUZGUMPSA-N 2 2 327.266 3.022 20 10 EGCDLP CC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)CC[C@H]1[NH3+] ZINC000843051939 1321461700 /nfs/dbraw/zinc/46/17/00/1321461700.db2.gz JDXSOUNFYQQZQU-BXUZGUMPSA-N 2 2 327.266 3.022 20 10 EGCDLP Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203655897 1370203773 /nfs/dbraw/zinc/20/37/73/1370203773.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001203655897 1370203779 /nfs/dbraw/zinc/20/37/79/1370203779.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203655897 1370203784 /nfs/dbraw/zinc/20/37/84/1370203784.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001203655897 1370203785 /nfs/dbraw/zinc/20/37/85/1370203785.db2.gz DPPJDYVKBYOCIM-IYBDPMFKSA-N 2 2 343.858 3.004 20 10 EGCDLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001204945794 1370612189 /nfs/dbraw/zinc/61/21/89/1370612189.db2.gz IUAGUEBFQOMCMM-FQEVSTJZSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C1 ZINC001204945794 1370612194 /nfs/dbraw/zinc/61/21/94/1370612194.db2.gz IUAGUEBFQOMCMM-FQEVSTJZSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+]C[C@@H]([NH3+])c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 ZINC001217698415 1373490128 /nfs/dbraw/zinc/49/01/28/1373490128.db2.gz CQVUDOZKOHOKME-GOSISDBHSA-N 2 2 345.406 3.153 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c2c1 ZINC001235119856 1376851490 /nfs/dbraw/zinc/85/14/90/1376851490.db2.gz SRHCRLSRCCPQLG-HXUWFJFHSA-N 2 2 326.440 3.272 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c2c1 ZINC001235119856 1376851491 /nfs/dbraw/zinc/85/14/91/1376851491.db2.gz SRHCRLSRCCPQLG-HXUWFJFHSA-N 2 2 326.440 3.272 20 10 EGCDLP Oc1c(F)cccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129444 1377683053 /nfs/dbraw/zinc/68/30/53/1377683053.db2.gz DGXJGYUPTYFSRL-HKUYNNGSSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129444 1377683054 /nfs/dbraw/zinc/68/30/54/1377683054.db2.gz DGXJGYUPTYFSRL-HKUYNNGSSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129444 1377683058 /nfs/dbraw/zinc/68/30/58/1377683058.db2.gz DGXJGYUPTYFSRL-HKUYNNGSSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129444 1377683061 /nfs/dbraw/zinc/68/30/61/1377683061.db2.gz DGXJGYUPTYFSRL-HKUYNNGSSA-N 2 2 340.442 3.485 20 10 EGCDLP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645332 454599522 /nfs/dbraw/zinc/59/95/22/454599522.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645332 454599526 /nfs/dbraw/zinc/59/95/26/454599526.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 2 2 339.483 3.235 20 10 EGCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191464013 455487458 /nfs/dbraw/zinc/48/74/58/455487458.db2.gz BXLHZAJGLLRRCW-LBPRGKRZSA-N 2 2 337.826 3.373 20 10 EGCDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191464013 455487461 /nfs/dbraw/zinc/48/74/61/455487461.db2.gz BXLHZAJGLLRRCW-LBPRGKRZSA-N 2 2 337.826 3.373 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccco3)cc2F)CC1 ZINC000155295241 454984167 /nfs/dbraw/zinc/98/41/67/454984167.db2.gz YZOSRVGFMCUGPG-HNNXBMFYSA-N 2 2 331.435 3.411 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000185068851 455495861 /nfs/dbraw/zinc/49/58/61/455495861.db2.gz YHUSBZXCRYPHIT-HNNXBMFYSA-N 2 2 341.455 3.111 20 10 EGCDLP Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027381 455544994 /nfs/dbraw/zinc/54/49/94/455544994.db2.gz PCKXPAJXASWHJF-FQEVSTJZSA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027381 455544997 /nfs/dbraw/zinc/54/49/97/455544997.db2.gz PCKXPAJXASWHJF-FQEVSTJZSA-N 2 2 340.467 3.081 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000726707683 574567301 /nfs/dbraw/zinc/56/73/01/574567301.db2.gz FLXLYGZSCOSSPO-RTBURBONSA-N 2 2 345.531 3.376 20 10 EGCDLP CCOc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1O ZINC000896197410 1309739098 /nfs/dbraw/zinc/73/90/98/1309739098.db2.gz DVDPHVAKOUIXIG-UHFFFAOYSA-N 2 2 327.428 3.262 20 10 EGCDLP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(Cl)c1O ZINC000806132470 1317463415 /nfs/dbraw/zinc/46/34/15/1317463415.db2.gz WQSYGYQQWRQVHV-YOEHRIQHSA-N 2 2 339.911 3.112 20 10 EGCDLP Cc1c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942830 1319469847 /nfs/dbraw/zinc/46/98/47/1319469847.db2.gz RFQPTFLLROHOTK-AUUYWEPGSA-N 2 2 329.492 3.189 20 10 EGCDLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030254 1321203820 /nfs/dbraw/zinc/20/38/20/1321203820.db2.gz MIAHZRPCAFJGFM-INIZCTEOSA-N 2 2 334.464 3.192 20 10 EGCDLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841085519 1321215872 /nfs/dbraw/zinc/21/58/72/1321215872.db2.gz FXZHCRULGODIQU-IBGZPJMESA-N 2 2 326.440 3.201 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H](C)C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000850386457 1322236782 /nfs/dbraw/zinc/23/67/82/1322236782.db2.gz JJAZCMSZMNIHAB-SFHVURJKSA-N 2 2 345.531 3.374 20 10 EGCDLP Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CC2 ZINC000854223486 1325231619 /nfs/dbraw/zinc/23/16/19/1325231619.db2.gz GHPVTJADLQLLPP-FGTMMUONSA-N 2 2 326.415 3.254 20 10 EGCDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863651470 1329570638 /nfs/dbraw/zinc/57/06/38/1329570638.db2.gz JNGJZKRMLHWZJA-ZDUSSCGKSA-N 2 2 340.309 3.218 20 10 EGCDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863651470 1329570641 /nfs/dbraw/zinc/57/06/41/1329570641.db2.gz JNGJZKRMLHWZJA-ZDUSSCGKSA-N 2 2 340.309 3.218 20 10 EGCDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277771 1370430084 /nfs/dbraw/zinc/43/00/84/1370430084.db2.gz LPSNNQOTJWHYFO-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204277771 1370430088 /nfs/dbraw/zinc/43/00/88/1370430088.db2.gz LPSNNQOTJWHYFO-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222435497 1373844353 /nfs/dbraw/zinc/84/43/53/1373844353.db2.gz PYXRFJPZSFSUFO-FQEVSTJZSA-N 2 2 326.440 3.272 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222435497 1373844358 /nfs/dbraw/zinc/84/43/58/1373844358.db2.gz PYXRFJPZSFSUFO-FQEVSTJZSA-N 2 2 326.440 3.272 20 10 EGCDLP Cc1cccc(C[N@@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1O ZINC001231592569 1376274061 /nfs/dbraw/zinc/27/40/61/1376274061.db2.gz SUGBJLVFLRSWKO-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP Cc1cccc(C[N@H+]2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1O ZINC001231592569 1376274066 /nfs/dbraw/zinc/27/40/66/1376274066.db2.gz SUGBJLVFLRSWKO-UHFFFAOYSA-N 2 2 342.487 3.098 20 10 EGCDLP Cc1cc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(C)n1-c1ccccc1 ZINC001235116234 1376848170 /nfs/dbraw/zinc/84/81/70/1376848170.db2.gz UGYSDNFOKONPHE-NRFANRHFSA-N 2 2 339.483 3.049 20 10 EGCDLP Cc1cc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)c(C)n1-c1ccccc1 ZINC001235116234 1376848174 /nfs/dbraw/zinc/84/81/74/1376848174.db2.gz UGYSDNFOKONPHE-NRFANRHFSA-N 2 2 339.483 3.049 20 10 EGCDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060244 1376930097 /nfs/dbraw/zinc/93/00/97/1376930097.db2.gz NTVHLMKBJRHHMQ-LIRRHRJNSA-N 2 2 326.415 3.382 20 10 EGCDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060244 1376930115 /nfs/dbraw/zinc/93/01/15/1376930115.db2.gz NTVHLMKBJRHHMQ-LIRRHRJNSA-N 2 2 326.415 3.382 20 10 EGCDLP Cc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236207268 1376942008 /nfs/dbraw/zinc/94/20/08/1376942008.db2.gz AOVPKMJKROXGPA-OAHLLOKOSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(O)cc1Br ZINC001236207268 1376942015 /nfs/dbraw/zinc/94/20/15/1376942015.db2.gz AOVPKMJKROXGPA-OAHLLOKOSA-N 2 2 327.266 3.037 20 10 EGCDLP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(F)cc(Cl)c1O)CC2 ZINC001237805542 1376987477 /nfs/dbraw/zinc/98/74/77/1376987477.db2.gz NHMNNKMFDVJJTD-UHFFFAOYSA-N 2 2 326.843 3.493 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](CC)CCn2cc[nH+]c2)c(OC)c1 ZINC001138391518 1377714311 /nfs/dbraw/zinc/71/43/11/1377714311.db2.gz FHGFWCMKPJPZGS-UHFFFAOYSA-N 2 2 330.476 3.260 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)c(OC)c1 ZINC001138391518 1377714312 /nfs/dbraw/zinc/71/43/12/1377714312.db2.gz FHGFWCMKPJPZGS-UHFFFAOYSA-N 2 2 330.476 3.260 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@H]3C2)cc1 ZINC001140062888 1377999387 /nfs/dbraw/zinc/99/93/87/1377999387.db2.gz HNJXYVYOXJZUHF-RTBURBONSA-N 2 2 340.442 3.404 20 10 EGCDLP Oc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001141160962 1378255061 /nfs/dbraw/zinc/25/50/61/1378255061.db2.gz KZIMEUYPZWKPAG-UHFFFAOYSA-N 2 2 338.451 3.121 20 10 EGCDLP Oc1ccc(O)c(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c1 ZINC001141160962 1378255066 /nfs/dbraw/zinc/25/50/66/1378255066.db2.gz KZIMEUYPZWKPAG-UHFFFAOYSA-N 2 2 338.451 3.121 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3ccc(-n4cccc4)c[nH+]3)cc2)CC1 ZINC001167426929 1383631344 /nfs/dbraw/zinc/63/13/44/1383631344.db2.gz PBTQAUPZIIIWLV-UHFFFAOYSA-N 2 2 347.466 3.236 20 10 EGCDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001169099801 1384107293 /nfs/dbraw/zinc/10/72/93/1384107293.db2.gz VXMUYYKFJBUQHL-ZSOGYDGISA-N 2 2 331.847 3.309 20 10 EGCDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001169099801 1384107295 /nfs/dbraw/zinc/10/72/95/1384107295.db2.gz VXMUYYKFJBUQHL-ZSOGYDGISA-N 2 2 331.847 3.309 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccco3)cc2F)CC1 ZINC000155295342 454984294 /nfs/dbraw/zinc/98/42/94/454984294.db2.gz YZOSRVGFMCUGPG-OAHLLOKOSA-N 2 2 331.435 3.411 20 10 EGCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185014387 455486632 /nfs/dbraw/zinc/48/66/32/455486632.db2.gz LMHPYOSHYBMGCS-HNNXBMFYSA-N 2 2 339.911 3.114 20 10 EGCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000185068743 455495980 /nfs/dbraw/zinc/49/59/80/455495980.db2.gz JJNUWVOBCRIUMI-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000268442675 455684860 /nfs/dbraw/zinc/68/48/60/455684860.db2.gz SKJTWGMNQHDDAR-UHFFFAOYSA-N 2 2 347.286 3.024 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761997 456686743 /nfs/dbraw/zinc/68/67/43/456686743.db2.gz BFBXSRBYXNVDJW-USXIJHARSA-N 2 2 326.440 3.059 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761997 456686751 /nfs/dbraw/zinc/68/67/51/456686751.db2.gz BFBXSRBYXNVDJW-USXIJHARSA-N 2 2 326.440 3.059 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000367710142 457974821 /nfs/dbraw/zinc/97/48/21/457974821.db2.gz YMBOXWXPWQESOR-INIZCTEOSA-N 2 2 330.451 3.395 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1F ZINC000367710142 457974828 /nfs/dbraw/zinc/97/48/28/457974828.db2.gz YMBOXWXPWQESOR-INIZCTEOSA-N 2 2 330.451 3.395 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842654 1293156595 /nfs/dbraw/zinc/15/65/95/1293156595.db2.gz BETJFACJIRHJCR-GHTZIAJQSA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842654 1293156598 /nfs/dbraw/zinc/15/65/98/1293156598.db2.gz BETJFACJIRHJCR-GHTZIAJQSA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482875 1300503007 /nfs/dbraw/zinc/50/30/07/1300503007.db2.gz JQEKBSHVIDJVAQ-MJBXVCDLSA-N 2 2 342.430 3.210 20 10 EGCDLP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000756482875 1300503014 /nfs/dbraw/zinc/50/30/14/1300503014.db2.gz JQEKBSHVIDJVAQ-MJBXVCDLSA-N 2 2 342.430 3.210 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756505990 1300509536 /nfs/dbraw/zinc/50/95/36/1300509536.db2.gz ZJQGSLZVJWNXMR-NXEZZACHSA-N 2 2 333.245 3.285 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809752314 1317889804 /nfs/dbraw/zinc/88/98/04/1317889804.db2.gz AURFYVPCTSEONR-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000809752314 1317889811 /nfs/dbraw/zinc/88/98/11/1317889811.db2.gz AURFYVPCTSEONR-UHFFFAOYSA-N 2 2 338.249 3.182 20 10 EGCDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000813877200 1318648940 /nfs/dbraw/zinc/64/89/40/1318648940.db2.gz NZMBZUYZWMCBFM-VHSXEESVSA-N 2 2 333.245 3.142 20 10 EGCDLP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938886 1319467016 /nfs/dbraw/zinc/46/70/16/1319467016.db2.gz VASHOIXSYWCZJE-LEWJYISDSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940241 1319468195 /nfs/dbraw/zinc/46/81/95/1319468195.db2.gz DYLZPUIWQJIDOP-LIRRHRJNSA-N 2 2 344.478 3.308 20 10 EGCDLP Cc1c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940772 1319469126 /nfs/dbraw/zinc/46/91/26/1319469126.db2.gz HSQJJYZOLPSFDT-IFXJQAMLSA-N 2 2 343.519 3.363 20 10 EGCDLP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817940650 1319469255 /nfs/dbraw/zinc/46/92/55/1319469255.db2.gz GKCFSBJEYCTBAJ-JKSUJKDBSA-N 2 2 330.501 3.185 20 10 EGCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000817960823 1319478593 /nfs/dbraw/zinc/47/85/93/1319478593.db2.gz RFCBJAXZZKSWIK-AWEZNQCLSA-N 2 2 334.460 3.142 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817970302 1319480775 /nfs/dbraw/zinc/48/07/75/1319480775.db2.gz QXZHSVLEXKBKLV-LPEHRKFASA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000817970845 1319480969 /nfs/dbraw/zinc/48/09/69/1319480969.db2.gz FZRBBJGATWOOQZ-YWVKMMECSA-N 2 2 331.229 3.085 20 10 EGCDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CCC[NH2+]1 ZINC000817974190 1319482337 /nfs/dbraw/zinc/48/23/37/1319482337.db2.gz JCGGCTABIWYECL-OXQOHEQNSA-N 2 2 349.494 3.235 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(Br)c(F)cc1O ZINC000817984642 1319487090 /nfs/dbraw/zinc/48/70/90/1319487090.db2.gz WOCGMYVLQRWYRJ-SECBINFHSA-N 2 2 331.229 3.087 20 10 EGCDLP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841041525 1321207342 /nfs/dbraw/zinc/20/73/42/1321207342.db2.gz CVUGBSGOYOSXSV-OAQYLSRUSA-N 2 2 349.482 3.036 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C/C=C\c2ccc(F)cc2F)cc1 ZINC000841046225 1321209402 /nfs/dbraw/zinc/20/94/02/1321209402.db2.gz YBWVVYOLIOSPSH-ZRHASKPBSA-N 2 2 331.410 3.334 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000850351323 1322232330 /nfs/dbraw/zinc/23/23/30/1322232330.db2.gz MROXYEJHJJNNKD-KRWDZBQOSA-N 2 2 331.504 3.126 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC000850351323 1322232334 /nfs/dbraw/zinc/23/23/34/1322232334.db2.gz MROXYEJHJJNNKD-KRWDZBQOSA-N 2 2 331.504 3.126 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248759 1329470921 /nfs/dbraw/zinc/47/09/21/1329470921.db2.gz RAVIZZRRFNCWFI-QWHCGFSZSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(O)cccc2Br)C[C@@H]1C ZINC000862248759 1329470923 /nfs/dbraw/zinc/47/09/23/1329470923.db2.gz RAVIZZRRFNCWFI-QWHCGFSZSA-N 2 2 341.293 3.459 20 10 EGCDLP Cc1c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c2ccccc2n1C ZINC001138255640 1377694966 /nfs/dbraw/zinc/69/49/66/1377694966.db2.gz NVYSXBOVSJDZTG-UHFFFAOYSA-N 2 2 340.471 3.117 20 10 EGCDLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001169099800 1384107504 /nfs/dbraw/zinc/10/75/04/1384107504.db2.gz VXMUYYKFJBUQHL-BTTYYORXSA-N 2 2 331.847 3.309 20 10 EGCDLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cc(Cl)c3cccnc3c1O)C2 ZINC001169099800 1384107505 /nfs/dbraw/zinc/10/75/05/1384107505.db2.gz VXMUYYKFJBUQHL-BTTYYORXSA-N 2 2 331.847 3.309 20 10 EGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1O ZINC000183429300 455291128 /nfs/dbraw/zinc/29/11/28/455291128.db2.gz BGZOAQBSESEBEK-INIZCTEOSA-N 2 2 326.440 3.075 20 10 EGCDLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2ccccc2c1O ZINC000185116196 455503933 /nfs/dbraw/zinc/50/39/33/455503933.db2.gz ZAIDCJYISOGYEJ-HNNXBMFYSA-N 2 2 328.456 3.043 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1O ZINC000185053727 455492610 /nfs/dbraw/zinc/49/26/10/455492610.db2.gz NEEXYOLVFXPGMV-CQSZACIVSA-N 2 2 329.419 3.242 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000185726093 455607712 /nfs/dbraw/zinc/60/77/12/455607712.db2.gz VUDUXUKYRXDUAR-DZGCQCFKSA-N 2 2 348.462 3.477 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000185726093 455607718 /nfs/dbraw/zinc/60/77/18/455607718.db2.gz VUDUXUKYRXDUAR-DZGCQCFKSA-N 2 2 348.462 3.477 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093071 455889527 /nfs/dbraw/zinc/88/95/27/455889527.db2.gz AXSDTSCPZTUZKY-CYBMUJFWSA-N 2 2 329.410 3.155 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C(F)(F)F)c1 ZINC000280093071 455889534 /nfs/dbraw/zinc/88/95/34/455889534.db2.gz AXSDTSCPZTUZKY-CYBMUJFWSA-N 2 2 329.410 3.155 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217167 457801319 /nfs/dbraw/zinc/80/13/19/457801319.db2.gz DSFUMCUDNPSHFM-WMQCIHAUSA-N 2 2 343.515 3.191 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217167 457801320 /nfs/dbraw/zinc/80/13/20/457801320.db2.gz DSFUMCUDNPSHFM-WMQCIHAUSA-N 2 2 343.515 3.191 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373225243 458435815 /nfs/dbraw/zinc/43/58/15/458435815.db2.gz DLCDVDNCEJQFAX-GFCCVEGCSA-N 2 2 335.835 3.167 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373225243 458435817 /nfs/dbraw/zinc/43/58/17/458435817.db2.gz DLCDVDNCEJQFAX-GFCCVEGCSA-N 2 2 335.835 3.167 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159279 574884649 /nfs/dbraw/zinc/88/46/49/574884649.db2.gz RRDLKIRNCBQTAN-INIZCTEOSA-N 2 2 329.444 3.429 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159279 574884652 /nfs/dbraw/zinc/88/46/52/574884652.db2.gz RRDLKIRNCBQTAN-INIZCTEOSA-N 2 2 329.444 3.429 20 10 EGCDLP C[N@H+](CCCC[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000835063146 1293197037 /nfs/dbraw/zinc/19/70/37/1293197037.db2.gz VGRXZQNCDHBBMU-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP C[N@@H+](CCCC[NH2+]Cc1cccc(Br)c1O)C1CC1 ZINC000835063146 1293197041 /nfs/dbraw/zinc/19/70/41/1293197041.db2.gz VGRXZQNCDHBBMU-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000122676010 1293421313 /nfs/dbraw/zinc/42/13/13/1293421313.db2.gz GSQQZTLOBGRCSS-UHFFFAOYSA-N 2 2 338.499 3.210 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1O ZINC000873290648 1297412754 /nfs/dbraw/zinc/41/27/54/1297412754.db2.gz BBSVMMUYWGTECN-CZUORRHYSA-N 2 2 338.879 3.245 20 10 EGCDLP C[NH+](Cc1cccc(Br)c1O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394155047 1297675686 /nfs/dbraw/zinc/67/56/86/1297675686.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 2 2 339.277 3.212 20 10 EGCDLP C[N@H+](Cc1cccc(Br)c1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394155047 1297675653 /nfs/dbraw/zinc/67/56/53/1297675653.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 2 2 339.277 3.212 20 10 EGCDLP C[N@@H+](Cc1cccc(Br)c1O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394155047 1297675663 /nfs/dbraw/zinc/67/56/63/1297675663.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 2 2 339.277 3.212 20 10 EGCDLP C[NH+](Cc1cccc(Br)c1O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394155047 1297675672 /nfs/dbraw/zinc/67/56/72/1297675672.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 2 2 339.277 3.212 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(Br)cc(F)c1O ZINC000756505994 1300509136 /nfs/dbraw/zinc/50/91/36/1300509136.db2.gz ZJQGSLZVJWNXMR-VHSXEESVSA-N 2 2 333.245 3.285 20 10 EGCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000775202328 1303924233 /nfs/dbraw/zinc/92/42/33/1303924233.db2.gz GWVYIZJOMRYUGX-UHFFFAOYSA-N 2 2 325.456 3.499 20 10 EGCDLP COc1cccc(O)c1C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000775203533 1303925361 /nfs/dbraw/zinc/92/53/61/1303925361.db2.gz LOTLELZNEAJETA-UHFFFAOYSA-N 2 2 328.412 3.148 20 10 EGCDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)c1 ZINC000775676789 1304013198 /nfs/dbraw/zinc/01/31/98/1304013198.db2.gz ZXVPDQFUYZAPOD-UHFFFAOYSA-N 2 2 347.846 3.080 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939304 1319465824 /nfs/dbraw/zinc/46/58/24/1319465824.db2.gz BAWGMGZGQGYSHR-RBUKOAKNSA-N 2 2 343.446 3.395 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938325 1319465871 /nfs/dbraw/zinc/46/58/71/1319465871.db2.gz JBWHYQHZZYUMDZ-KSSFIOAISA-N 2 2 343.471 3.120 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940553 1319467835 /nfs/dbraw/zinc/46/78/35/1319467835.db2.gz JUMWDMIEZZTDPU-MGPUTAFESA-N 2 2 327.472 3.420 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942226 1319469588 /nfs/dbraw/zinc/46/95/88/1319469588.db2.gz NAWKIKPMINZRSA-OALUTQOASA-N 2 2 328.435 3.027 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942724 1319470714 /nfs/dbraw/zinc/47/07/14/1319470714.db2.gz QNWYUCVVVPTEMJ-RTBURBONSA-N 2 2 343.446 3.395 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817943554 1319470906 /nfs/dbraw/zinc/47/09/06/1319470906.db2.gz VJQVRKTVBZERCF-RTBURBONSA-N 2 2 325.456 3.125 20 10 EGCDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817962431 1319478017 /nfs/dbraw/zinc/47/80/17/1319478017.db2.gz LYHMJDPPYSTBKJ-UWVGGRQHSA-N 2 2 333.245 3.462 20 10 EGCDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CCC[NH2+]1 ZINC000817975938 1319483942 /nfs/dbraw/zinc/48/39/42/1319483942.db2.gz ZZHMBZSTGMIENO-RXVVDRJESA-N 2 2 345.531 3.486 20 10 EGCDLP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1O ZINC000817980976 1319484210 /nfs/dbraw/zinc/48/42/10/1319484210.db2.gz ORQCOKSENFEOBP-CMPLNLGQSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)cc(F)c1O ZINC000818615047 1319570610 /nfs/dbraw/zinc/57/06/10/1319570610.db2.gz KZXWQGFZHMVWBL-ZEGGKSINSA-N 2 2 331.229 3.214 20 10 EGCDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000841036159 1321205773 /nfs/dbraw/zinc/20/57/73/1321205773.db2.gz KOWLIGJBHNSKPD-INIZCTEOSA-N 2 2 328.412 3.034 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc3c2OC(C)(C)C3)cc1 ZINC000841045378 1321208617 /nfs/dbraw/zinc/20/86/17/1321208617.db2.gz KMAWOZCIUSESTG-IBGZPJMESA-N 2 2 339.483 3.256 20 10 EGCDLP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000850556746 1322266236 /nfs/dbraw/zinc/26/62/36/1322266236.db2.gz JBAPUGWPTPVTBS-OXJNMPFZSA-N 2 2 331.504 3.047 20 10 EGCDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377605 1329480374 /nfs/dbraw/zinc/48/03/74/1329480374.db2.gz JGEJMGGDHKUGAZ-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377605 1329480376 /nfs/dbraw/zinc/48/03/76/1329480376.db2.gz JGEJMGGDHKUGAZ-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377605 1329480377 /nfs/dbraw/zinc/48/03/77/1329480377.db2.gz JGEJMGGDHKUGAZ-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(O)cccc3Br)C2)C1 ZINC000862377605 1329480379 /nfs/dbraw/zinc/48/03/79/1329480379.db2.gz JGEJMGGDHKUGAZ-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP [NH3+][C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CC12CC2 ZINC001204912652 1370603907 /nfs/dbraw/zinc/60/39/07/1370603907.db2.gz YVNUDDZVVLUCDS-MRXNPFEDSA-N 2 2 347.256 3.231 20 10 EGCDLP [NH3+][C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CC12CC2 ZINC001204912652 1370603909 /nfs/dbraw/zinc/60/39/09/1370603909.db2.gz YVNUDDZVVLUCDS-MRXNPFEDSA-N 2 2 347.256 3.231 20 10 EGCDLP [NH3+][C@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001205931174 1370915895 /nfs/dbraw/zinc/91/58/95/1370915895.db2.gz HREMCKVXOJRSOF-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+][C@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001205931174 1370915898 /nfs/dbraw/zinc/91/58/98/1370915898.db2.gz HREMCKVXOJRSOF-SFHVURJKSA-N 2 2 326.440 3.284 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1[NH3+] ZINC001206043591 1370947201 /nfs/dbraw/zinc/94/72/01/1370947201.db2.gz MJNRUPIHAWMXDR-DNVCBOLYSA-N 2 2 326.440 3.140 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)C[C@H]1[NH3+] ZINC001206043591 1370947203 /nfs/dbraw/zinc/94/72/03/1370947203.db2.gz MJNRUPIHAWMXDR-DNVCBOLYSA-N 2 2 326.440 3.140 20 10 EGCDLP C[N@@H+](Cc1c(O)cc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001233030749 1376557201 /nfs/dbraw/zinc/55/72/01/1376557201.db2.gz MBANYQCAEBHZJV-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[N@H+](Cc1c(O)cc(Br)cc1F)CC1CC[NH+](C)CC1 ZINC001233030749 1376557205 /nfs/dbraw/zinc/55/72/05/1376557205.db2.gz MBANYQCAEBHZJV-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP CC[N@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC001235969375 1376924224 /nfs/dbraw/zinc/92/42/24/1376924224.db2.gz CDIXVSVIHWQXIC-CQSZACIVSA-N 2 2 349.272 3.492 20 10 EGCDLP CC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC001235969375 1376924229 /nfs/dbraw/zinc/92/42/29/1376924229.db2.gz CDIXVSVIHWQXIC-CQSZACIVSA-N 2 2 349.272 3.492 20 10 EGCDLP c1c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236241096 1376944251 /nfs/dbraw/zinc/94/42/51/1376944251.db2.gz RGADGRNWOOGXIT-HXUWFJFHSA-N 2 2 325.500 3.102 20 10 EGCDLP c1c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc2c3c1CCCN3CCC2 ZINC001236241096 1376944255 /nfs/dbraw/zinc/94/42/55/1376944255.db2.gz RGADGRNWOOGXIT-HXUWFJFHSA-N 2 2 325.500 3.102 20 10 EGCDLP C[N@H+](C1CC1)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078542 1378234083 /nfs/dbraw/zinc/23/40/83/1378234083.db2.gz ZXYZZHMIOSLUKO-UHFFFAOYSA-N 2 2 339.527 3.444 20 10 EGCDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078542 1378234087 /nfs/dbraw/zinc/23/40/87/1378234087.db2.gz ZXYZZHMIOSLUKO-UHFFFAOYSA-N 2 2 339.527 3.444 20 10 EGCDLP CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001331669821 1389850751 /nfs/dbraw/zinc/85/07/51/1389850751.db2.gz GIJODBNCIIVQPS-AWEZNQCLSA-N 2 2 348.441 3.219 20 10 EGCDLP CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001331669821 1389850755 /nfs/dbraw/zinc/85/07/55/1389850755.db2.gz GIJODBNCIIVQPS-AWEZNQCLSA-N 2 2 348.441 3.219 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246509224 455503605 /nfs/dbraw/zinc/50/36/05/455503605.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246509224 455503610 /nfs/dbraw/zinc/50/36/10/455503610.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246509224 455503612 /nfs/dbraw/zinc/50/36/12/455503612.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246509224 455503617 /nfs/dbraw/zinc/50/36/17/455503617.db2.gz IBZPWEMWGOSHGS-LIRRHRJNSA-N 2 2 346.446 3.183 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836048 455523690 /nfs/dbraw/zinc/52/36/90/455523690.db2.gz USUNDLOVQRIQNW-PKOBYXMFSA-N 2 2 340.467 3.334 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836048 455523694 /nfs/dbraw/zinc/52/36/94/455523694.db2.gz USUNDLOVQRIQNW-PKOBYXMFSA-N 2 2 340.467 3.334 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217166 457801179 /nfs/dbraw/zinc/80/11/79/457801179.db2.gz DSFUMCUDNPSHFM-IOMROCGXSA-N 2 2 343.515 3.191 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217166 457801182 /nfs/dbraw/zinc/80/11/82/457801182.db2.gz DSFUMCUDNPSHFM-IOMROCGXSA-N 2 2 343.515 3.191 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H](C)C3)CC2)cc1 ZINC000726707680 574567296 /nfs/dbraw/zinc/56/72/96/574567296.db2.gz FLXLYGZSCOSSPO-MOPGFXCFSA-N 2 2 345.531 3.376 20 10 EGCDLP Cc1nc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)cc[nH+]1 ZINC000742406206 576780425 /nfs/dbraw/zinc/78/04/25/576780425.db2.gz GPSLMLBNICKAPE-HNNXBMFYSA-N 2 2 332.835 3.221 20 10 EGCDLP Cc1nc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)cc[nH+]1 ZINC000742406206 576780428 /nfs/dbraw/zinc/78/04/28/576780428.db2.gz GPSLMLBNICKAPE-HNNXBMFYSA-N 2 2 332.835 3.221 20 10 EGCDLP CC[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000131571797 1293695224 /nfs/dbraw/zinc/69/52/24/1293695224.db2.gz RXWHDTMEGMLPEE-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000131571797 1293695229 /nfs/dbraw/zinc/69/52/29/1293695229.db2.gz RXWHDTMEGMLPEE-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(Br)ccc1O ZINC000401780549 1297741675 /nfs/dbraw/zinc/74/16/75/1297741675.db2.gz PTTNKZRXTHPFBI-AWEZNQCLSA-N 2 2 338.249 3.172 20 10 EGCDLP C[NH+]1CCC(C)(C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715829954 1298288794 /nfs/dbraw/zinc/28/87/94/1298288794.db2.gz UZJGMWHZUKNYKF-UHFFFAOYSA-N 2 2 345.256 3.115 20 10 EGCDLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000756431751 1300489715 /nfs/dbraw/zinc/48/97/15/1300489715.db2.gz DKYOYJPUZHYUPR-LLVKDONJSA-N 2 2 338.249 3.401 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)[C@@H](C)C1 ZINC000886528085 1303488113 /nfs/dbraw/zinc/48/81/13/1303488113.db2.gz GSLJGJCTBKMUOF-UXLLHSPISA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)[C@@H](C)C1 ZINC000886528085 1303488123 /nfs/dbraw/zinc/48/81/23/1303488123.db2.gz GSLJGJCTBKMUOF-UXLLHSPISA-N 2 2 338.467 3.319 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC=C(C)CC3)CC2)cc1 ZINC000788504179 1305958855 /nfs/dbraw/zinc/95/88/55/1305958855.db2.gz GJIPLXDBFOHXRK-LJQANCHMSA-N 2 2 343.515 3.296 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766256 1317895515 /nfs/dbraw/zinc/89/55/15/1317895515.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766256 1317895519 /nfs/dbraw/zinc/89/55/19/1317895519.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766256 1317895525 /nfs/dbraw/zinc/89/55/25/1317895525.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 2 2 341.293 3.235 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766256 1317895528 /nfs/dbraw/zinc/89/55/28/1317895528.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 2 2 341.293 3.235 20 10 EGCDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200466 /nfs/dbraw/zinc/20/04/66/1319200466.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200471 /nfs/dbraw/zinc/20/04/71/1319200471.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200478 /nfs/dbraw/zinc/20/04/78/1319200478.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200480 /nfs/dbraw/zinc/20/04/80/1319200480.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 2 2 339.277 3.072 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817889297 1319450752 /nfs/dbraw/zinc/45/07/52/1319450752.db2.gz SCMAVHJQZXFNBF-YKTARERQSA-N 2 2 349.494 3.060 20 10 EGCDLP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940243 1319468386 /nfs/dbraw/zinc/46/83/86/1319468386.db2.gz DZHGGQVNZOMXFW-QZTJIDSGSA-N 2 2 343.446 3.177 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940554 1319468881 /nfs/dbraw/zinc/46/88/81/1319468881.db2.gz JUMWDMIEZZTDPU-QRWLVFNGSA-N 2 2 327.472 3.420 20 10 EGCDLP CCN(C)c1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000817947545 1319473480 /nfs/dbraw/zinc/47/34/80/1319473480.db2.gz ALWVSYNONQSVKB-MRXNPFEDSA-N 2 2 339.487 3.120 20 10 EGCDLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950785 1319475024 /nfs/dbraw/zinc/47/50/24/1319475024.db2.gz YULRBVLULMLHLI-OCCSQVGLSA-N 2 2 327.266 3.338 20 10 EGCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959456 1319478263 /nfs/dbraw/zinc/47/82/63/1319478263.db2.gz RKFMBKLBQWJQRX-LSDHHAIUSA-N 2 2 339.911 3.201 20 10 EGCDLP CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000841042763 1321207976 /nfs/dbraw/zinc/20/79/76/1321207976.db2.gz NMHIZWMKFGKSGZ-SFHVURJKSA-N 2 2 331.435 3.080 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841751272 1321306643 /nfs/dbraw/zinc/30/66/43/1321306643.db2.gz HAFZDWKJOHJUID-ZIAGYGMSSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841751272 1321306648 /nfs/dbraw/zinc/30/66/48/1321306648.db2.gz HAFZDWKJOHJUID-ZIAGYGMSSA-N 2 2 326.868 3.197 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C(C)(C)C)C3)CC2)cc1 ZINC000850351324 1322231825 /nfs/dbraw/zinc/23/18/25/1322231825.db2.gz MROXYEJHJJNNKD-QGZVFWFLSA-N 2 2 331.504 3.126 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C(C)(C)C)C3)CC2)cc1 ZINC000850351324 1322231834 /nfs/dbraw/zinc/23/18/34/1322231834.db2.gz MROXYEJHJJNNKD-QGZVFWFLSA-N 2 2 331.504 3.126 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853092582 1323278950 /nfs/dbraw/zinc/27/89/50/1323278950.db2.gz BWFDVFMKOTYKOI-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092582 1323278955 /nfs/dbraw/zinc/27/89/55/1323278955.db2.gz BWFDVFMKOTYKOI-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001203655896 1370203971 /nfs/dbraw/zinc/20/39/71/1370203971.db2.gz DPPJDYVKBYOCIM-HZPDHXFCSA-N 2 2 343.858 3.004 20 10 EGCDLP COc1cc(C[N@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(O)c1O ZINC001204351613 1370450148 /nfs/dbraw/zinc/45/01/48/1370450148.db2.gz VOBZEXGFJUBLAZ-UHFFFAOYSA-N 2 2 348.487 3.335 20 10 EGCDLP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)cc(O)c1O ZINC001204351613 1370450150 /nfs/dbraw/zinc/45/01/50/1370450150.db2.gz VOBZEXGFJUBLAZ-UHFFFAOYSA-N 2 2 348.487 3.335 20 10 EGCDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001232271267 1376427134 /nfs/dbraw/zinc/42/71/34/1376427134.db2.gz TYFSPBBRYMMIFL-CQSZACIVSA-N 2 2 348.830 3.411 20 10 EGCDLP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1Cl ZINC001232271267 1376427146 /nfs/dbraw/zinc/42/71/46/1376427146.db2.gz TYFSPBBRYMMIFL-CQSZACIVSA-N 2 2 348.830 3.411 20 10 EGCDLP Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140062723 1377999130 /nfs/dbraw/zinc/99/91/30/1377999130.db2.gz FJROBWMNLISXER-GASCZTMLSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140062723 1377999133 /nfs/dbraw/zinc/99/91/33/1377999133.db2.gz FJROBWMNLISXER-GASCZTMLSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140062723 1377999140 /nfs/dbraw/zinc/99/91/40/1377999140.db2.gz FJROBWMNLISXER-GASCZTMLSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001140062723 1377999143 /nfs/dbraw/zinc/99/91/43/1377999143.db2.gz FJROBWMNLISXER-GASCZTMLSA-N 2 2 332.444 3.157 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302571 1378043038 /nfs/dbraw/zinc/04/30/38/1378043038.db2.gz VBILOSYIQLXVCQ-KRWDZBQOSA-N 2 2 341.421 3.008 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(F)(F)[C@@H](F)C3)cc2)CC1 ZINC001140302571 1378043041 /nfs/dbraw/zinc/04/30/41/1378043041.db2.gz VBILOSYIQLXVCQ-KRWDZBQOSA-N 2 2 341.421 3.008 20 10 EGCDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162048 1378255252 /nfs/dbraw/zinc/25/52/52/1378255252.db2.gz KHFHWCPUWUIKNL-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162048 1378255256 /nfs/dbraw/zinc/25/52/56/1378255256.db2.gz KHFHWCPUWUIKNL-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001328680572 1388805391 /nfs/dbraw/zinc/80/53/91/1388805391.db2.gz GTLSHMWKXXALGG-OAQYLSRUSA-N 2 2 338.499 3.142 20 10 EGCDLP COc1ccc(N2CC[NH+](CCCNc3[nH+]cccc3C)CC2)cc1 ZINC001164328194 1383178149 /nfs/dbraw/zinc/17/81/49/1383178149.db2.gz TUPVUXUSTYINSA-UHFFFAOYSA-N 2 2 340.471 3.023 20 10 EGCDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]c2cc[nH]c21 ZINC001167436959 1383633388 /nfs/dbraw/zinc/63/33/88/1383633388.db2.gz IXDQEICWEDBTJF-UHFFFAOYSA-N 2 2 335.455 3.235 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1O ZINC000287770024 456077422 /nfs/dbraw/zinc/07/74/22/456077422.db2.gz RLIQJGLEZDWWNM-DOMZBBRYSA-N 2 2 347.286 3.196 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@H](C)C1 ZINC000185461163 455560801 /nfs/dbraw/zinc/56/08/01/455560801.db2.gz CJRIKSOQYPFCCS-VKJFTORMSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@H](C)C1 ZINC000185461163 455560803 /nfs/dbraw/zinc/56/08/03/455560803.db2.gz CJRIKSOQYPFCCS-VKJFTORMSA-N 2 2 338.467 3.319 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cscn3)cc2F)CC1 ZINC000271114331 456130742 /nfs/dbraw/zinc/13/07/42/456130742.db2.gz IAZNMWRMIXOAHJ-CQSZACIVSA-N 2 2 348.491 3.275 20 10 EGCDLP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1O ZINC000275368085 456274381 /nfs/dbraw/zinc/27/43/81/456274381.db2.gz UZLFBXSWQPVPCX-NWDGAFQWSA-N 2 2 338.249 3.399 20 10 EGCDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1O ZINC000368592255 458047953 /nfs/dbraw/zinc/04/79/53/458047953.db2.gz PYRZTFOFPPBJLZ-UHFFFAOYSA-N 3 2 345.531 3.020 20 10 EGCDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1O ZINC000368592255 458047966 /nfs/dbraw/zinc/04/79/66/458047966.db2.gz PYRZTFOFPPBJLZ-UHFFFAOYSA-N 3 2 345.531 3.020 20 10 EGCDLP Cc1ccc2[nH+]c(CN(C)c3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000732410521 575268145 /nfs/dbraw/zinc/26/81/45/575268145.db2.gz CYHOPKMXBOJDFJ-UHFFFAOYSA-N 2 2 338.455 3.220 20 10 EGCDLP Oc1cc(F)c(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000827845683 1292386631 /nfs/dbraw/zinc/38/66/31/1292386631.db2.gz ZKGWVUHKUHRABG-UHFFFAOYSA-N 2 2 326.843 3.396 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC000119035086 1293251205 /nfs/dbraw/zinc/25/12/05/1293251205.db2.gz XHBPNBGNYQWPDZ-GOSISDBHSA-N 2 2 345.531 3.374 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1O ZINC000183400762 1295116838 /nfs/dbraw/zinc/11/68/38/1295116838.db2.gz IEDLYANWHQUJRM-GOSISDBHSA-N 2 2 339.483 3.255 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000873239698 1297382075 /nfs/dbraw/zinc/38/20/75/1297382075.db2.gz BHTBWRSITXGKCO-NHCYSSNCSA-N 2 2 345.256 3.462 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287412 /nfs/dbraw/zinc/28/74/12/1298287412.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 2 2 343.240 3.010 20 10 EGCDLP Oc1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287418 /nfs/dbraw/zinc/28/74/18/1298287418.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 2 2 343.240 3.010 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201859 1301420646 /nfs/dbraw/zinc/42/06/46/1301420646.db2.gz GZMJWZZPSPYYJN-SWLSCSKDSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201859 1301420650 /nfs/dbraw/zinc/42/06/50/1301420650.db2.gz GZMJWZZPSPYYJN-SWLSCSKDSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201859 1301420655 /nfs/dbraw/zinc/42/06/55/1301420655.db2.gz GZMJWZZPSPYYJN-SWLSCSKDSA-N 2 2 326.868 3.359 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(OC)c2O)C[C@@H]1C ZINC000761201859 1301420658 /nfs/dbraw/zinc/42/06/58/1301420658.db2.gz GZMJWZZPSPYYJN-SWLSCSKDSA-N 2 2 326.868 3.359 20 10 EGCDLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)[C@H](C)C1 ZINC000886528084 1303488469 /nfs/dbraw/zinc/48/84/69/1303488469.db2.gz GSLJGJCTBKMUOF-INMHGKMJSA-N 2 2 338.467 3.319 20 10 EGCDLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)[C@H](C)C1 ZINC000886528084 1303488473 /nfs/dbraw/zinc/48/84/73/1303488473.db2.gz GSLJGJCTBKMUOF-INMHGKMJSA-N 2 2 338.467 3.319 20 10 EGCDLP COc1cc(C)cc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1O ZINC000773340894 1303664650 /nfs/dbraw/zinc/66/46/50/1303664650.db2.gz SZIYOFYGGHAFGU-UHFFFAOYSA-N 2 2 342.439 3.456 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cc(Br)ccc1O ZINC000779061225 1304524117 /nfs/dbraw/zinc/52/41/17/1304524117.db2.gz KEPKVWBKHVZPPI-JQWIXIFHSA-N 2 2 336.233 3.017 20 10 EGCDLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825095958 1320308886 /nfs/dbraw/zinc/30/88/86/1320308886.db2.gz BDPHDWLJDWXFQQ-UHFFFAOYSA-N 2 2 341.293 3.365 20 10 EGCDLP CN(C)c1cc(F)c(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000858100840 1328682176 /nfs/dbraw/zinc/68/21/76/1328682176.db2.gz PAJOCZHQCCHGCQ-UHFFFAOYSA-N 2 2 325.447 3.383 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cc(Br)ccc1O ZINC000902439678 1317579179 /nfs/dbraw/zinc/57/91/79/1317579179.db2.gz UHQRMSYORUPKDI-IGGJQXEISA-N 2 2 347.256 3.430 20 10 EGCDLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(Br)c1O ZINC000809756991 1317894169 /nfs/dbraw/zinc/89/41/69/1317894169.db2.gz QQBURARQPMPBDE-UHFFFAOYSA-N 2 2 329.282 3.318 20 10 EGCDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Br)c1O ZINC000809756991 1317894173 /nfs/dbraw/zinc/89/41/73/1317894173.db2.gz QQBURARQPMPBDE-UHFFFAOYSA-N 2 2 329.282 3.318 20 10 EGCDLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939103 1319466124 /nfs/dbraw/zinc/46/61/24/1319466124.db2.gz YWVUXMIWZXWCRF-KXBFYZLASA-N 2 2 327.472 3.420 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938324 1319466321 /nfs/dbraw/zinc/46/63/21/1319466321.db2.gz JBWHYQHZZYUMDZ-KDOFPFPSSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938835 1319466941 /nfs/dbraw/zinc/46/69/41/1319466941.db2.gz UIIFZQGTGGQXOF-FOIQADDNSA-N 2 2 326.488 3.169 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc(C)cc1O ZINC000817951130 1319475058 /nfs/dbraw/zinc/47/50/58/1319475058.db2.gz BUSKSEDFKWHTDA-QGZVFWFLSA-N 2 2 326.444 3.068 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817970326 1319481395 /nfs/dbraw/zinc/48/13/95/1319481395.db2.gz RKGLKSMXGXHXOL-INTQDDNPSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc(Br)cc(F)c1O ZINC000817976250 1319484376 /nfs/dbraw/zinc/48/43/76/1319484376.db2.gz ISFNGPCEMFBCFP-VHSXEESVSA-N 2 2 333.245 3.462 20 10 EGCDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000825144209 1320314721 /nfs/dbraw/zinc/31/47/21/1320314721.db2.gz MCEURZJUXKVGQP-UHFFFAOYSA-N 2 2 339.277 3.261 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000841033570 1321204700 /nfs/dbraw/zinc/20/47/00/1321204700.db2.gz VWESBANSHZUPOC-GOSISDBHSA-N 2 2 326.440 3.203 20 10 EGCDLP CCN(CC)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841042457 1321208021 /nfs/dbraw/zinc/20/80/21/1321208021.db2.gz JTPDWSSCXYTCBB-OAQYLSRUSA-N 2 2 340.515 3.388 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000841102986 1321218731 /nfs/dbraw/zinc/21/87/31/1321218731.db2.gz BRLDDPMUUBCCAI-VQTJNVASSA-N 2 2 327.447 3.127 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045650 1321461252 /nfs/dbraw/zinc/46/12/52/1321461252.db2.gz ZGXFPBYFTQNGNB-ZDUSSCGKSA-N 2 2 329.410 3.203 20 10 EGCDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000843045650 1321461254 /nfs/dbraw/zinc/46/12/54/1321461254.db2.gz ZGXFPBYFTQNGNB-ZDUSSCGKSA-N 2 2 329.410 3.203 20 10 EGCDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OC ZINC000848576104 1321978423 /nfs/dbraw/zinc/97/84/23/1321978423.db2.gz ZVCRTXRENMTDBQ-MOPGFXCFSA-N 2 2 332.488 3.338 20 10 EGCDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OC ZINC000848576104 1321978426 /nfs/dbraw/zinc/97/84/26/1321978426.db2.gz ZVCRTXRENMTDBQ-MOPGFXCFSA-N 2 2 332.488 3.338 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCc4occc4C3)cc2F)CC1 ZINC001323819512 1387467647 /nfs/dbraw/zinc/46/76/47/1387467647.db2.gz BLWPJKLQOLILEG-UHFFFAOYSA-N 2 2 343.446 3.119 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4occc4C3)cc2F)CC1 ZINC001323819512 1387467650 /nfs/dbraw/zinc/46/76/50/1387467650.db2.gz BLWPJKLQOLILEG-UHFFFAOYSA-N 2 2 343.446 3.119 20 10 EGCDLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205075301 1370642801 /nfs/dbraw/zinc/64/28/01/1370642801.db2.gz HJAUIRACGLOERU-YJBOKZPZSA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001205075301 1370642805 /nfs/dbraw/zinc/64/28/05/1370642805.db2.gz HJAUIRACGLOERU-YJBOKZPZSA-N 2 2 326.440 3.283 20 10 EGCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116482534 1370922216 /nfs/dbraw/zinc/92/22/16/1370922216.db2.gz JAYFJXBMQUNPGR-INIZCTEOSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)c1 ZINC001116482534 1370922221 /nfs/dbraw/zinc/92/22/21/1370922221.db2.gz JAYFJXBMQUNPGR-INIZCTEOSA-N 2 2 327.428 3.181 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c(OC)c1 ZINC001206343844 1371028000 /nfs/dbraw/zinc/02/80/00/1371028000.db2.gz JLVSAQPRDKFLJY-LJQANCHMSA-N 2 2 337.483 3.194 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](F)(C[NH3+])C2)c(OC)c1 ZINC001206343844 1371028001 /nfs/dbraw/zinc/02/80/01/1371028001.db2.gz JLVSAQPRDKFLJY-LJQANCHMSA-N 2 2 337.483 3.194 20 10 EGCDLP Cc1cc(C[NH+]2CCC3(CCC[NH2+]3)CC2)c(O)cc1Br ZINC001228555709 1375597266 /nfs/dbraw/zinc/59/72/66/1375597266.db2.gz IHXLHLVDLUVZEI-UHFFFAOYSA-N 2 2 339.277 3.181 20 10 EGCDLP C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH+](C)CC1 ZINC001231466286 1376246686 /nfs/dbraw/zinc/24/66/86/1376246686.db2.gz PVFXVXJSQAADKZ-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC[NH+](C)CC1 ZINC001231466286 1376246694 /nfs/dbraw/zinc/24/66/94/1376246694.db2.gz PVFXVXJSQAADKZ-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP Oc1c(F)cccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138127799 1377681717 /nfs/dbraw/zinc/68/17/17/1377681717.db2.gz QPETWVGGRPDCDQ-QZTJIDSGSA-N 2 2 326.415 3.095 20 10 EGCDLP COc1ccc(N2CC[NH+](Cc3c[nH]c4cc[nH+]cc34)CC2)c(C)c1 ZINC001140805448 1378143208 /nfs/dbraw/zinc/14/32/08/1378143208.db2.gz FZFQTSDDZXIOJZ-UHFFFAOYSA-N 2 2 336.439 3.202 20 10 EGCDLP Cc1cc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]cc2[nH]1 ZINC001167426239 1383631312 /nfs/dbraw/zinc/63/13/12/1383631312.db2.gz CTBOTRAAACEZCM-UHFFFAOYSA-N 2 2 335.455 3.235 20 10 EGCDLP CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001331669823 1389850949 /nfs/dbraw/zinc/85/09/49/1389850949.db2.gz GIJODBNCIIVQPS-CQSZACIVSA-N 2 2 348.441 3.219 20 10 EGCDLP CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC001331669823 1389850952 /nfs/dbraw/zinc/85/09/52/1389850952.db2.gz GIJODBNCIIVQPS-CQSZACIVSA-N 2 2 348.441 3.219 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)CC2)cc1 ZINC000131863618 454292511 /nfs/dbraw/zinc/29/25/11/454292511.db2.gz VOUUODRMUWKCAA-LJQANCHMSA-N 2 2 333.520 3.230 20 10 EGCDLP COc1ccc(N2CCC([NH2+]CCCNc3cccc[nH+]3)CC2)cc1 ZINC000163824241 454865225 /nfs/dbraw/zinc/86/52/25/454865225.db2.gz OHQVPSRMLOQASN-UHFFFAOYSA-N 2 2 340.471 3.151 20 10 EGCDLP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1O ZINC000287581165 456071990 /nfs/dbraw/zinc/07/19/90/456071990.db2.gz HLAVBVCEOGWIBS-QGZVFWFLSA-N 2 2 339.911 3.112 20 10 EGCDLP Cc1ccc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)c(O)c1 ZINC000273525968 456236707 /nfs/dbraw/zinc/23/67/07/456236707.db2.gz VFNZLXOHDBKIFJ-WBVHZDCISA-N 2 2 340.471 3.409 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000274761748 456265114 /nfs/dbraw/zinc/26/51/14/456265114.db2.gz KGTCINNRLYSAQM-SJLPKXTDSA-N 2 2 340.471 3.491 20 10 EGCDLP Oc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000691488396 1298134005 /nfs/dbraw/zinc/13/40/05/1298134005.db2.gz MBURMWBAEGHODC-UHFFFAOYSA-N 2 2 327.266 3.120 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000873238751 1297379966 /nfs/dbraw/zinc/37/99/66/1297379966.db2.gz FTTFMABKSCJKKZ-DCAQKATOSA-N 2 2 345.256 3.462 20 10 EGCDLP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(O)c1 ZINC000877115958 1299162538 /nfs/dbraw/zinc/16/25/38/1299162538.db2.gz XWIMOJLQAXFAJS-INIZCTEOSA-N 2 2 325.456 3.411 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609966 1300531469 /nfs/dbraw/zinc/53/14/69/1300531469.db2.gz GRGBTDPVZHKHOR-GMXVVIOVSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000756609966 1300531480 /nfs/dbraw/zinc/53/14/80/1300531480.db2.gz GRGBTDPVZHKHOR-GMXVVIOVSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(Br)cc(F)c1O ZINC000817970842 1319481370 /nfs/dbraw/zinc/48/13/70/1319481370.db2.gz FZRBBJGATWOOQZ-FXPVBKGRSA-N 2 2 331.229 3.085 20 10 EGCDLP Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000824596188 1320268917 /nfs/dbraw/zinc/26/89/17/1320268917.db2.gz CGGLVWPQMKMYLZ-GFCCVEGCSA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000824596188 1320268921 /nfs/dbraw/zinc/26/89/21/1320268921.db2.gz CGGLVWPQMKMYLZ-GFCCVEGCSA-N 2 2 336.233 3.257 20 10 EGCDLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cc(Br)ccc1O ZINC000902439679 1317579202 /nfs/dbraw/zinc/57/92/02/1317579202.db2.gz UHQRMSYORUPKDI-UDTVLSCZSA-N 2 2 347.256 3.430 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178602 1318691058 /nfs/dbraw/zinc/69/10/58/1318691058.db2.gz WMVOFQBFWZXCAH-QGZVFWFLSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178602 1318691064 /nfs/dbraw/zinc/69/10/64/1318691064.db2.gz WMVOFQBFWZXCAH-QGZVFWFLSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178602 1318691073 /nfs/dbraw/zinc/69/10/73/1318691073.db2.gz WMVOFQBFWZXCAH-QGZVFWFLSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178602 1318691082 /nfs/dbraw/zinc/69/10/82/1318691082.db2.gz WMVOFQBFWZXCAH-QGZVFWFLSA-N 2 2 341.421 3.299 20 10 EGCDLP CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817890004 1319452262 /nfs/dbraw/zinc/45/22/62/1319452262.db2.gz VYHHHMKKSXBLPA-LNMJFAINSA-N 2 2 349.494 3.060 20 10 EGCDLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938768 1319467026 /nfs/dbraw/zinc/46/70/26/1319467026.db2.gz RQIUROHJZZFHTQ-VQTJNVASSA-N 2 2 325.456 3.038 20 10 EGCDLP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817940648 1319469139 /nfs/dbraw/zinc/46/91/39/1319469139.db2.gz GKCFSBJEYCTBAJ-HZPDHXFCSA-N 2 2 330.501 3.185 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125918 1321474504 /nfs/dbraw/zinc/47/45/04/1321474504.db2.gz CLNAMJLPXAQSEC-CHWSQXEVSA-N 2 2 326.843 3.396 20 10 EGCDLP Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125918 1321474505 /nfs/dbraw/zinc/47/45/05/1321474505.db2.gz CLNAMJLPXAQSEC-CHWSQXEVSA-N 2 2 326.843 3.396 20 10 EGCDLP COc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000850063815 1322189145 /nfs/dbraw/zinc/18/91/45/1322189145.db2.gz VIIJIGNRMRECPA-UHFFFAOYSA-N 2 2 331.460 3.465 20 10 EGCDLP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001326474162 1388207079 /nfs/dbraw/zinc/20/70/79/1388207079.db2.gz SXWVQFOGIHSTHK-GOEBONIOSA-N 2 2 338.455 3.166 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001233290884 1376606484 /nfs/dbraw/zinc/60/64/84/1376606484.db2.gz BDYMHQYKOJVOOJ-OAHLLOKOSA-N 2 2 348.830 3.411 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001233290884 1376606488 /nfs/dbraw/zinc/60/64/88/1376606488.db2.gz BDYMHQYKOJVOOJ-OAHLLOKOSA-N 2 2 348.830 3.411 20 10 EGCDLP Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113246 1376846911 /nfs/dbraw/zinc/84/69/11/1376846911.db2.gz AWWWMCYBPRRRLG-OAQYLSRUSA-N 2 2 339.483 3.049 20 10 EGCDLP Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC001235113246 1376846914 /nfs/dbraw/zinc/84/69/14/1376846914.db2.gz AWWWMCYBPRRRLG-OAQYLSRUSA-N 2 2 339.483 3.049 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4c(O)cccc4F)C[C@H]3C2)cc1 ZINC001137834753 1377626054 /nfs/dbraw/zinc/62/60/54/1377626054.db2.gz RPNUWXSFJAQILW-QZTJIDSGSA-N 2 2 340.442 3.404 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC001138389327 1377714376 /nfs/dbraw/zinc/71/43/76/1377714376.db2.gz JDCFFJCRGBPARI-UHFFFAOYSA-N 2 2 333.520 3.458 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)c(OC)c1 ZINC001138389327 1377714377 /nfs/dbraw/zinc/71/43/77/1377714377.db2.gz JDCFFJCRGBPARI-UHFFFAOYSA-N 2 2 333.520 3.458 20 10 EGCDLP COc1cc(C[N@@H+]2CCc3cc(F)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139259163 1377858753 /nfs/dbraw/zinc/85/87/53/1377858753.db2.gz KJOAWGACQRLDEI-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP COc1cc(C[N@H+]2CCc3cc(F)ccc3C2)cc(C[NH+](C)C)c1O ZINC001139259163 1377858755 /nfs/dbraw/zinc/85/87/55/1377858755.db2.gz KJOAWGACQRLDEI-UHFFFAOYSA-N 2 2 344.430 3.160 20 10 EGCDLP COc1cc(O)c(C[N@H+](C2CCCC2)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032531 1378214336 /nfs/dbraw/zinc/21/43/36/1378214336.db2.gz FDPCYXYTUVDHGZ-UHFFFAOYSA-N 2 2 348.487 3.248 20 10 EGCDLP COc1cc(O)c(C[N@@H+](C2CCCC2)C2CC[NH+](C)CC2)c(OC)c1 ZINC001141032531 1378214342 /nfs/dbraw/zinc/21/43/42/1378214342.db2.gz FDPCYXYTUVDHGZ-UHFFFAOYSA-N 2 2 348.487 3.248 20 10 EGCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596834 454722403 /nfs/dbraw/zinc/72/24/03/454722403.db2.gz XRGLDLQHMHSBMZ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596834 454722404 /nfs/dbraw/zinc/72/24/04/454722404.db2.gz XRGLDLQHMHSBMZ-CYBMUJFWSA-N 2 2 339.277 3.072 20 10 EGCDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549944 455194337 /nfs/dbraw/zinc/19/43/37/455194337.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549944 455194343 /nfs/dbraw/zinc/19/43/43/455194343.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549944 455194347 /nfs/dbraw/zinc/19/43/47/455194347.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 2 2 341.293 3.237 20 10 EGCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180549944 455194351 /nfs/dbraw/zinc/19/43/51/455194351.db2.gz FKWCHRUQILPNEK-ZDUSSCGKSA-N 2 2 341.293 3.237 20 10 EGCDLP COc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1O ZINC000278787131 455848255 /nfs/dbraw/zinc/84/82/55/455848255.db2.gz WGQHEOZQLZHYJV-UHFFFAOYSA-N 2 2 328.412 3.148 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Cl)ccc1O ZINC000273480058 456232776 /nfs/dbraw/zinc/23/27/76/456232776.db2.gz LVLFOCFTUUSPHC-IWEFOYFVSA-N 2 2 338.879 3.074 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000274316489 456255053 /nfs/dbraw/zinc/25/50/53/456255053.db2.gz WMTCQEMKXXBJSV-MAUKXSAKSA-N 2 2 326.440 3.011 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC000274316489 456255056 /nfs/dbraw/zinc/25/50/56/456255056.db2.gz WMTCQEMKXXBJSV-MAUKXSAKSA-N 2 2 326.440 3.011 20 10 EGCDLP COc1cccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1O ZINC000290632541 456388796 /nfs/dbraw/zinc/38/87/96/456388796.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1cccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1O ZINC000290632541 456388806 /nfs/dbraw/zinc/38/88/06/456388806.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP CN(C)c1ccc([C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000898450294 1310742074 /nfs/dbraw/zinc/74/20/74/1310742074.db2.gz PTMDLPCABHEKFK-HXUWFJFHSA-N 2 2 346.563 3.208 20 10 EGCDLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940242 1319468587 /nfs/dbraw/zinc/46/85/87/1319468587.db2.gz DZHGGQVNZOMXFW-MSOLQXFVSA-N 2 2 343.446 3.177 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939972 1319468949 /nfs/dbraw/zinc/46/89/49/1319468949.db2.gz DOOWOVMHZDCFKK-DNVCBOLYSA-N 2 2 327.472 3.426 20 10 EGCDLP COc1ncc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944080 1319471828 /nfs/dbraw/zinc/47/18/28/1319471828.db2.gz XGDDANOYEQRGQG-SJCJKPOMSA-N 2 2 348.878 3.160 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943926 1319471954 /nfs/dbraw/zinc/47/19/54/1319471954.db2.gz WTXDDQRSWGWEIK-OXQOHEQNSA-N 2 2 349.482 3.289 20 10 EGCDLP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000817948044 1319473920 /nfs/dbraw/zinc/47/39/20/1319473920.db2.gz STJZMRCJJYTYBY-PUSIOWJLSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817969509 1319481151 /nfs/dbraw/zinc/48/11/51/1319481151.db2.gz VRZHQLDIFZVWPV-UWVGGRQHSA-N 2 2 331.229 3.087 20 10 EGCDLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841030255 1321203392 /nfs/dbraw/zinc/20/33/92/1321203392.db2.gz MIAHZRPCAFJGFM-MRXNPFEDSA-N 2 2 334.464 3.192 20 10 EGCDLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1SC ZINC000841042350 1321207505 /nfs/dbraw/zinc/20/75/05/1321207505.db2.gz IOYUZAANRMGDJT-KRWDZBQOSA-N 2 2 345.512 3.273 20 10 EGCDLP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841044943 1321208502 /nfs/dbraw/zinc/20/85/02/1321208502.db2.gz GKQGBLQMPPHLDD-IIBYNOLFSA-N 2 2 341.499 3.372 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CC[NH2+]C1 ZINC000843052973 1321462250 /nfs/dbraw/zinc/46/22/50/1321462250.db2.gz RIWGSORVORZVGR-CQSZACIVSA-N 2 2 327.266 3.037 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CC[NH2+]C1 ZINC000843052973 1321462252 /nfs/dbraw/zinc/46/22/52/1321462252.db2.gz RIWGSORVORZVGR-CQSZACIVSA-N 2 2 327.266 3.037 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)CC[C@@H]1C[NH3+] ZINC001205638960 1370822513 /nfs/dbraw/zinc/82/25/13/1370822513.db2.gz TYJGZKUINQLCBQ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)CC[C@@H]1C[NH3+] ZINC001205638960 1370822519 /nfs/dbraw/zinc/82/25/19/1370822519.db2.gz TYJGZKUINQLCBQ-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CCC[C@H]1C[NH3+] ZINC001206026324 1370942518 /nfs/dbraw/zinc/94/25/18/1370942518.db2.gz RWFOAFSPDDENSJ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CCC[C@H]1C[NH3+] ZINC001206026324 1370942522 /nfs/dbraw/zinc/94/25/22/1370942522.db2.gz RWFOAFSPDDENSJ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572586 1371096385 /nfs/dbraw/zinc/09/63/85/1371096385.db2.gz CUOSKBCGOXIMBK-INIZCTEOSA-N 2 2 341.293 3.414 20 10 EGCDLP Cc1ccoc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324375205 1387612957 /nfs/dbraw/zinc/61/29/57/1387612957.db2.gz IGCGXRIZWJWHJF-UHFFFAOYSA-N 2 2 331.435 3.111 20 10 EGCDLP Cc1ccoc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324375205 1387612961 /nfs/dbraw/zinc/61/29/61/1387612961.db2.gz IGCGXRIZWJWHJF-UHFFFAOYSA-N 2 2 331.435 3.111 20 10 EGCDLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC001324489902 1387645041 /nfs/dbraw/zinc/64/50/41/1387645041.db2.gz RFIWYRSWFRRUIF-KRWDZBQOSA-N 2 2 326.488 3.249 20 10 EGCDLP Cc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1N(C)C ZINC001324489902 1387645054 /nfs/dbraw/zinc/64/50/54/1387645054.db2.gz RFIWYRSWFRRUIF-KRWDZBQOSA-N 2 2 326.488 3.249 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1O ZINC001203883019 1370298661 /nfs/dbraw/zinc/29/86/61/1370298661.db2.gz ZTCIUYZLXYSAFT-OAQYLSRUSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1O ZINC001203883019 1370298663 /nfs/dbraw/zinc/29/86/63/1370298663.db2.gz ZTCIUYZLXYSAFT-OAQYLSRUSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883019 1370298665 /nfs/dbraw/zinc/29/86/65/1370298665.db2.gz ZTCIUYZLXYSAFT-OAQYLSRUSA-N 2 2 338.451 3.196 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1O ZINC001203883019 1370298666 /nfs/dbraw/zinc/29/86/66/1370298666.db2.gz ZTCIUYZLXYSAFT-OAQYLSRUSA-N 2 2 338.451 3.196 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206070688 1370953747 /nfs/dbraw/zinc/95/37/47/1370953747.db2.gz QAKOMIHMJKZDSF-MEBBXXQBSA-N 2 2 335.245 3.087 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H]1[NH3+] ZINC001206070688 1370953752 /nfs/dbraw/zinc/95/37/52/1370953752.db2.gz QAKOMIHMJKZDSF-MEBBXXQBSA-N 2 2 335.245 3.087 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1 ZINC001206572586 1371096384 /nfs/dbraw/zinc/09/63/84/1371096384.db2.gz CUOSKBCGOXIMBK-INIZCTEOSA-N 2 2 341.293 3.414 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222435499 1373844108 /nfs/dbraw/zinc/84/41/08/1373844108.db2.gz PYXRFJPZSFSUFO-HXUWFJFHSA-N 2 2 326.440 3.272 20 10 EGCDLP COc1ccc2ccc(O)c(C[N@H+]3CC[C@@]4(C3)CCCC[NH2+]4)c2c1 ZINC001222435499 1373844114 /nfs/dbraw/zinc/84/41/14/1373844114.db2.gz PYXRFJPZSFSUFO-HXUWFJFHSA-N 2 2 326.440 3.272 20 10 EGCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(C)C)cc3O)CC2)c1 ZINC001237050914 1376972792 /nfs/dbraw/zinc/97/27/92/1376972792.db2.gz FTYGJQUNKOLTJO-UHFFFAOYSA-N 2 2 341.455 3.241 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137837553 1377627231 /nfs/dbraw/zinc/62/72/31/1377627231.db2.gz LSOHADAFDOMNCB-CALCHBBNSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137837553 1377627233 /nfs/dbraw/zinc/62/72/33/1377627233.db2.gz LSOHADAFDOMNCB-CALCHBBNSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137837553 1377627234 /nfs/dbraw/zinc/62/72/34/1377627234.db2.gz LSOHADAFDOMNCB-CALCHBBNSA-N 2 2 326.415 3.095 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137837553 1377627236 /nfs/dbraw/zinc/62/72/36/1377627236.db2.gz LSOHADAFDOMNCB-CALCHBBNSA-N 2 2 326.415 3.095 20 10 EGCDLP COCC[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001138220038 1377690828 /nfs/dbraw/zinc/69/08/28/1377690828.db2.gz XROBCTUGDNLHGM-UHFFFAOYSA-N 2 2 345.531 3.220 20 10 EGCDLP COCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC001138220038 1377690829 /nfs/dbraw/zinc/69/08/29/1377690829.db2.gz XROBCTUGDNLHGM-UHFFFAOYSA-N 2 2 345.531 3.220 20 10 EGCDLP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001140062725 1377999012 /nfs/dbraw/zinc/99/90/12/1377999012.db2.gz FJROBWMNLISXER-GJZGRUSLSA-N 2 2 332.444 3.157 20 10 EGCDLP Oc1cc(F)c(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142524955 1378453037 /nfs/dbraw/zinc/45/30/37/1378453037.db2.gz QXOBXSPICVMESP-IRXDYDNUSA-N 2 2 344.405 3.234 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001328680571 1388805456 /nfs/dbraw/zinc/80/54/56/1388805456.db2.gz GTLSHMWKXXALGG-NRFANRHFSA-N 2 2 338.499 3.142 20 10 EGCDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596835 454722631 /nfs/dbraw/zinc/72/26/31/454722631.db2.gz XRGLDLQHMHSBMZ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596835 454722633 /nfs/dbraw/zinc/72/26/33/454722633.db2.gz XRGLDLQHMHSBMZ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP COc1cccc(C[NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000237377446 455179265 /nfs/dbraw/zinc/17/92/65/455179265.db2.gz CZSRIFTXGRGODO-GOSISDBHSA-N 2 2 326.440 3.328 20 10 EGCDLP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1O ZINC000185208840 455521622 /nfs/dbraw/zinc/52/16/22/455521622.db2.gz ZYYKABASTPBVGX-FQEVSTJZSA-N 2 2 340.467 3.465 20 10 EGCDLP C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)C[NH+]1CCOCC1 ZINC000185505058 455569321 /nfs/dbraw/zinc/56/93/21/455569321.db2.gz YLQUIWSEUOXPPF-CVEARBPZSA-N 2 2 328.456 3.164 20 10 EGCDLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1O ZINC000287770036 456078295 /nfs/dbraw/zinc/07/82/95/456078295.db2.gz RLIQJGLEZDWWNM-WFASDCNBSA-N 2 2 347.286 3.196 20 10 EGCDLP COc1ccc(O)c(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290418112 456321850 /nfs/dbraw/zinc/32/18/50/456321850.db2.gz KNRTVFPIOTZFEH-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1ccc(O)c(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000290418112 456321855 /nfs/dbraw/zinc/32/18/55/456321855.db2.gz KNRTVFPIOTZFEH-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325761986 456686501 /nfs/dbraw/zinc/68/65/01/456686501.db2.gz BFBXSRBYXNVDJW-BHYGNILZSA-N 2 2 326.440 3.059 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325761986 456686511 /nfs/dbraw/zinc/68/65/11/456686511.db2.gz BFBXSRBYXNVDJW-BHYGNILZSA-N 2 2 326.440 3.059 20 10 EGCDLP CC[N@H+](CC[NH3+])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863643913 1329570336 /nfs/dbraw/zinc/57/03/36/1329570336.db2.gz BQWCFJNTRQKBMA-UHFFFAOYSA-N 2 2 340.309 3.220 20 10 EGCDLP CC[N@@H+](CC[NH3+])Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863643913 1329570338 /nfs/dbraw/zinc/57/03/38/1329570338.db2.gz BQWCFJNTRQKBMA-UHFFFAOYSA-N 2 2 340.309 3.220 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476899 1299327507 /nfs/dbraw/zinc/32/75/07/1299327507.db2.gz QQUGQEJWDVPUNR-IBGZPJMESA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476899 1299327517 /nfs/dbraw/zinc/32/75/17/1299327517.db2.gz QQUGQEJWDVPUNR-IBGZPJMESA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476428 1299328002 /nfs/dbraw/zinc/32/80/02/1299328002.db2.gz DLKPGHBVZWFYAI-HXUWFJFHSA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000877476428 1299328007 /nfs/dbraw/zinc/32/80/07/1299328007.db2.gz DLKPGHBVZWFYAI-HXUWFJFHSA-N 2 2 340.467 3.081 20 10 EGCDLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(Br)c(F)cc1O ZINC000756358941 1300475948 /nfs/dbraw/zinc/47/59/48/1300475948.db2.gz BKUUINVOZCWABO-NSHDSACASA-N 2 2 345.256 3.430 20 10 EGCDLP COc1cccc(O)c1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769328892 1303094022 /nfs/dbraw/zinc/09/40/22/1303094022.db2.gz DXVSUUQHFFQPGE-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1cccc(O)c1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000769328892 1303094028 /nfs/dbraw/zinc/09/40/28/1303094028.db2.gz DXVSUUQHFFQPGE-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP Oc1c(Br)cccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775026046 1303890969 /nfs/dbraw/zinc/89/09/69/1303890969.db2.gz YUOZBLQGYNTTMI-UHFFFAOYSA-N 2 2 339.277 3.119 20 10 EGCDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(Br)c1O ZINC000809750030 1317890117 /nfs/dbraw/zinc/89/01/17/1317890117.db2.gz PCSQTCWFCWXGRH-UHFFFAOYSA-N 2 2 329.282 3.237 20 10 EGCDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(Br)c1O ZINC000809750030 1317890122 /nfs/dbraw/zinc/89/01/22/1317890122.db2.gz PCSQTCWFCWXGRH-UHFFFAOYSA-N 2 2 329.282 3.237 20 10 EGCDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4ccccc4c3O)CC2)c1 ZINC000816503302 1319167944 /nfs/dbraw/zinc/16/79/44/1319167944.db2.gz PBRBYXHDCJVYJH-UHFFFAOYSA-N 2 2 349.434 3.271 20 10 EGCDLP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939319 1319468580 /nfs/dbraw/zinc/46/85/80/1319468580.db2.gz BBIPHVHXZMHHAX-HZPDHXFCSA-N 2 2 344.528 3.439 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942722 1319470202 /nfs/dbraw/zinc/47/02/02/1319470202.db2.gz QNWYUCVVVPTEMJ-OALUTQOASA-N 2 2 343.446 3.395 20 10 EGCDLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817946816 1319471900 /nfs/dbraw/zinc/47/19/00/1319471900.db2.gz FKBNUDKASGFOGM-GARJFASQSA-N 2 2 345.256 3.333 20 10 EGCDLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944032 1319472379 /nfs/dbraw/zinc/47/23/79/1319472379.db2.gz WUNNYDJLOKUTDK-IEBWSBKVSA-N 2 2 330.451 3.273 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950786 1319474578 /nfs/dbraw/zinc/47/45/78/1319474578.db2.gz YULRBVLULMLHLI-TZMCWYRMSA-N 2 2 327.266 3.338 20 10 EGCDLP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1cc(Cl)ccc1O ZINC000817953655 1319475038 /nfs/dbraw/zinc/47/50/38/1319475038.db2.gz RONQCNGFJNVKSL-INIZCTEOSA-N 2 2 346.862 3.413 20 10 EGCDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817962430 1319478032 /nfs/dbraw/zinc/47/80/32/1319478032.db2.gz LYHMJDPPYSTBKJ-NXEZZACHSA-N 2 2 333.245 3.462 20 10 EGCDLP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)cc(F)c1O ZINC000817965593 1319479784 /nfs/dbraw/zinc/47/97/84/1319479784.db2.gz ASKKIUCPYRWNEJ-MEBBXXQBSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1O ZINC000817980982 1319484240 /nfs/dbraw/zinc/48/42/40/1319484240.db2.gz ORQCOKSENFEOBP-ZYHUDNBSSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817986851 1319486683 /nfs/dbraw/zinc/48/66/83/1319486683.db2.gz USPIPJZFBJAJGM-SNVBAGLBSA-N 2 2 343.240 3.254 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825697793 1320355603 /nfs/dbraw/zinc/35/56/03/1320355603.db2.gz JTSQIXDUPYETGJ-CQSZACIVSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825697793 1320355609 /nfs/dbraw/zinc/35/56/09/1320355609.db2.gz JTSQIXDUPYETGJ-CQSZACIVSA-N 2 2 327.266 3.071 20 10 EGCDLP [NH3+]C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCCCC1 ZINC000841039610 1321207010 /nfs/dbraw/zinc/20/70/10/1321207010.db2.gz WIVBYVVOEFTCQT-CQSZACIVSA-N 2 2 327.266 3.152 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000841042436 1321207911 /nfs/dbraw/zinc/20/79/11/1321207911.db2.gz JPPHBIRLOMZTFF-KRWDZBQOSA-N 2 2 335.398 3.144 20 10 EGCDLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052001 1321461816 /nfs/dbraw/zinc/46/18/16/1321461816.db2.gz NYNULQFHYKWRDF-CYBMUJFWSA-N 2 2 340.309 3.218 20 10 EGCDLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052001 1321461818 /nfs/dbraw/zinc/46/18/18/1321461818.db2.gz NYNULQFHYKWRDF-CYBMUJFWSA-N 2 2 340.309 3.218 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2O)CC[C@H]1C[NH3+] ZINC001205638962 1370822915 /nfs/dbraw/zinc/82/29/15/1370822915.db2.gz TYJGZKUINQLCBQ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2O)CC[C@H]1C[NH3+] ZINC001205638962 1370822919 /nfs/dbraw/zinc/82/29/19/1370822919.db2.gz TYJGZKUINQLCBQ-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203362 /nfs/dbraw/zinc/20/33/62/1370203362.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203364 /nfs/dbraw/zinc/20/33/64/1370203364.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203367 /nfs/dbraw/zinc/20/33/67/1370203367.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 2 2 343.858 3.004 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001203655716 1370203370 /nfs/dbraw/zinc/20/33/70/1370203370.db2.gz BHUUKMPKRKVVAP-CALCHBBNSA-N 2 2 343.858 3.004 20 10 EGCDLP CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001237057999 1376975045 /nfs/dbraw/zinc/97/50/45/1376975045.db2.gz WBTRZNYIWYBINT-UHFFFAOYSA-N 2 2 346.393 3.249 20 10 EGCDLP CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C1CC[NH+](C)CC1 ZINC001237057999 1376975048 /nfs/dbraw/zinc/97/50/48/1376975048.db2.gz WBTRZNYIWYBINT-UHFFFAOYSA-N 2 2 346.393 3.249 20 10 EGCDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062885 1377999235 /nfs/dbraw/zinc/99/92/35/1377999235.db2.gz HNJXYVYOXJZUHF-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062885 1377999237 /nfs/dbraw/zinc/99/92/37/1377999237.db2.gz HNJXYVYOXJZUHF-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062885 1377999239 /nfs/dbraw/zinc/99/92/39/1377999239.db2.gz HNJXYVYOXJZUHF-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cc(F)ccc4O)C[C@@H]3C2)cc1 ZINC001140062885 1377999242 /nfs/dbraw/zinc/99/92/42/1377999242.db2.gz HNJXYVYOXJZUHF-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC001172130016 1384737786 /nfs/dbraw/zinc/73/77/86/1384737786.db2.gz NAGLWHRRHICALI-BWTSREIZSA-N 2 2 343.515 3.141 20 10 EGCDLP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c(C)c1 ZINC001172130016 1384737791 /nfs/dbraw/zinc/73/77/91/1384737791.db2.gz NAGLWHRRHICALI-BWTSREIZSA-N 2 2 343.515 3.141 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1O ZINC000184913217 455471746 /nfs/dbraw/zinc/47/17/46/455471746.db2.gz PTESCXVSFSUDHO-NSHDSACASA-N 2 2 339.277 3.432 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699314 455430585 /nfs/dbraw/zinc/43/05/85/455430585.db2.gz FBNZRERKYDHVMS-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699314 455430588 /nfs/dbraw/zinc/43/05/88/455430588.db2.gz FBNZRERKYDHVMS-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184733514 455438067 /nfs/dbraw/zinc/43/80/67/455438067.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 2 2 349.862 3.242 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184733514 455438070 /nfs/dbraw/zinc/43/80/70/455438070.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 2 2 349.862 3.242 20 10 EGCDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000841038331 1321206918 /nfs/dbraw/zinc/20/69/18/1321206918.db2.gz VCVZPXXXSFTRGT-OAHLLOKOSA-N 2 2 335.245 3.253 20 10 EGCDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Br)cc1O ZINC000756457979 1300495780 /nfs/dbraw/zinc/49/57/80/1300495780.db2.gz INPMVENCYZJHQW-GFCCVEGCSA-N 2 2 338.249 3.482 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1O ZINC000796764907 1310082498 /nfs/dbraw/zinc/08/24/98/1310082498.db2.gz UZVSNZRYTANTTJ-SJLPKXTDSA-N 2 2 336.451 3.215 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938297 1319466604 /nfs/dbraw/zinc/46/66/04/1319466604.db2.gz IJRVEYUGQHCNOP-SCLBCKFNSA-N 2 2 328.416 3.011 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938900 1319466847 /nfs/dbraw/zinc/46/68/47/1319466847.db2.gz VHBRYNXREVJTTI-UGSOOPFHSA-N 2 2 328.416 3.011 20 10 EGCDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000841033571 1321204107 /nfs/dbraw/zinc/20/41/07/1321204107.db2.gz VWESBANSHZUPOC-SFHVURJKSA-N 2 2 326.440 3.203 20 10 EGCDLP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000850091903 1322191963 /nfs/dbraw/zinc/19/19/63/1322191963.db2.gz COWYZKILMACOCA-CQSZACIVSA-N 2 2 331.460 3.321 20 10 EGCDLP Oc1cccc(Br)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000862247650 1329470912 /nfs/dbraw/zinc/47/09/12/1329470912.db2.gz KPUCMYSLPFCKOJ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP Oc1cccc(Br)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000862247650 1329470913 /nfs/dbraw/zinc/47/09/13/1329470913.db2.gz KPUCMYSLPFCKOJ-ZDUSSCGKSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+](Cc1cc(O)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001141156867 1378253611 /nfs/dbraw/zinc/25/36/11/1378253611.db2.gz VVBOSBLMBCUVJI-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP C[N@@H+](Cc1cc(O)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001141156867 1378253613 /nfs/dbraw/zinc/25/36/13/1378253613.db2.gz VVBOSBLMBCUVJI-UHFFFAOYSA-N 2 2 326.440 3.194 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+]CCn2c(C)[nH+]c3ccccc32)c1 ZINC000120652233 454330855 /nfs/dbraw/zinc/33/08/55/454330855.db2.gz TXOSBKFLUQBBSO-ZDUSSCGKSA-N 2 2 325.412 3.410 20 10 EGCDLP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000187674032 455937347 /nfs/dbraw/zinc/93/73/47/455937347.db2.gz FEUUYBYAYMHIHU-MJBXVCDLSA-N 2 2 342.430 3.210 20 10 EGCDLP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000187674032 455937353 /nfs/dbraw/zinc/93/73/53/455937353.db2.gz FEUUYBYAYMHIHU-MJBXVCDLSA-N 2 2 342.430 3.210 20 10 EGCDLP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1O ZINC000287603333 456074062 /nfs/dbraw/zinc/07/40/62/456074062.db2.gz ISWKZGAGQPDCAG-PBHICJAKSA-N 2 2 340.895 3.323 20 10 EGCDLP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1O ZINC000287603333 456074067 /nfs/dbraw/zinc/07/40/67/456074067.db2.gz ISWKZGAGQPDCAG-PBHICJAKSA-N 2 2 340.895 3.323 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1O ZINC000273536974 456237998 /nfs/dbraw/zinc/23/79/98/456237998.db2.gz XOJXOZVMXSUQTC-XJKSGUPXSA-N 2 2 344.434 3.240 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[NH+]3CCC(C)CC3)CC2)cc1 ZINC000119034993 1293251183 /nfs/dbraw/zinc/25/11/83/1293251183.db2.gz XHBPNBGNYQWPDZ-SFHVURJKSA-N 2 2 345.531 3.374 20 10 EGCDLP CCC[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706875189 1298227429 /nfs/dbraw/zinc/22/74/29/1298227429.db2.gz PWSUIJGJFYFPSC-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756791744 1300567140 /nfs/dbraw/zinc/56/71/40/1300567140.db2.gz UXMDUDMZSUBSRO-JTQLQIEISA-N 2 2 343.240 3.206 20 10 EGCDLP C[N@H+](CCCC[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000883140365 1302268058 /nfs/dbraw/zinc/26/80/58/1302268058.db2.gz RDGZGKMISSXIPZ-UHFFFAOYSA-N 2 2 345.256 3.258 20 10 EGCDLP C[N@@H+](CCCC[NH2+]Cc1cc(Br)cc(F)c1O)C1CC1 ZINC000883140365 1302268064 /nfs/dbraw/zinc/26/80/64/1302268064.db2.gz RDGZGKMISSXIPZ-UHFFFAOYSA-N 2 2 345.256 3.258 20 10 EGCDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470315 1303119685 /nfs/dbraw/zinc/11/96/85/1303119685.db2.gz LIRWDWMAHVITFF-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470315 1303119687 /nfs/dbraw/zinc/11/96/87/1303119687.db2.gz LIRWDWMAHVITFF-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470315 1303119690 /nfs/dbraw/zinc/11/96/90/1303119690.db2.gz LIRWDWMAHVITFF-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470315 1303119693 /nfs/dbraw/zinc/11/96/93/1303119693.db2.gz LIRWDWMAHVITFF-WFASDCNBSA-N 2 2 341.293 3.459 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1c(O)cccc1F ZINC000886578259 1303509449 /nfs/dbraw/zinc/50/94/49/1303509449.db2.gz PPYHLLKACYZXDW-HIFRSBDPSA-N 2 2 344.434 3.240 20 10 EGCDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767940 1317895663 /nfs/dbraw/zinc/89/56/63/1317895663.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(Br)c2O)C1 ZINC000809767940 1317895672 /nfs/dbraw/zinc/89/56/72/1317895672.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767940 1317895680 /nfs/dbraw/zinc/89/56/80/1317895680.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(Br)c2O)C1 ZINC000809767940 1317895686 /nfs/dbraw/zinc/89/56/86/1317895686.db2.gz YMERPCAUQJPQOP-WFASDCNBSA-N 2 2 339.277 3.071 20 10 EGCDLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939318 1319468568 /nfs/dbraw/zinc/46/85/68/1319468568.db2.gz BBIPHVHXZMHHAX-HOTGVXAUSA-N 2 2 344.528 3.439 20 10 EGCDLP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817941367 1319470076 /nfs/dbraw/zinc/47/00/76/1319470076.db2.gz JMESZQMERRKEHE-XOBRGWDASA-N 2 2 340.471 3.062 20 10 EGCDLP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)cc(F)c1O ZINC000817980981 1319483893 /nfs/dbraw/zinc/48/38/93/1319483893.db2.gz ORQCOKSENFEOBP-PWSUYJOCSA-N 2 2 345.256 3.477 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1O ZINC000817976897 1319484149 /nfs/dbraw/zinc/48/41/49/1319484149.db2.gz WNXLIFROJWKDRD-XPTSAGLGSA-N 2 2 343.240 3.087 20 10 EGCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(Br)cc1O ZINC000817981641 1319485207 /nfs/dbraw/zinc/48/52/07/1319485207.db2.gz MFBCAQAFTXKOCQ-HZMBPMFUSA-N 2 2 327.266 3.323 20 10 EGCDLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841038172 1321206777 /nfs/dbraw/zinc/20/67/77/1321206777.db2.gz GTWMZENVPHUAEF-MRXNPFEDSA-N 2 2 334.464 3.048 20 10 EGCDLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841043948 1321208193 /nfs/dbraw/zinc/20/81/93/1321208193.db2.gz RRCCSANMACSPFO-KRWDZBQOSA-N 2 2 333.863 3.204 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000841045822 1321208878 /nfs/dbraw/zinc/20/88/78/1321208878.db2.gz QYBADTQUNKVUMX-XUJLQICISA-N 2 2 329.410 3.463 20 10 EGCDLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052005 1321462096 /nfs/dbraw/zinc/46/20/96/1321462096.db2.gz NYNULQFHYKWRDF-ZDUSSCGKSA-N 2 2 340.309 3.218 20 10 EGCDLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000843052005 1321462100 /nfs/dbraw/zinc/46/21/00/1321462100.db2.gz NYNULQFHYKWRDF-ZDUSSCGKSA-N 2 2 340.309 3.218 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000848568315 1321977508 /nfs/dbraw/zinc/97/75/08/1321977508.db2.gz FNTRXCAYSYVDEV-NHCUHLMSSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000848568315 1321977514 /nfs/dbraw/zinc/97/75/14/1321977514.db2.gz FNTRXCAYSYVDEV-NHCUHLMSSA-N 2 2 343.515 3.271 20 10 EGCDLP Cc1cc(O)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1C ZINC000849349602 1322115562 /nfs/dbraw/zinc/11/55/62/1322115562.db2.gz BYHFQIMVOLESGH-RTBURBONSA-N 2 2 328.431 3.383 20 10 EGCDLP Oc1c(C[NH+]2CCC([NH+]3CCCC3)CC2)cccc1OC(F)(F)F ZINC001233728329 1376703472 /nfs/dbraw/zinc/70/34/72/1376703472.db2.gz VVZUGKFWSZKUOU-UHFFFAOYSA-N 2 2 344.377 3.351 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001140304031 1378042755 /nfs/dbraw/zinc/04/27/55/1378042755.db2.gz FHKHPUBAWQRUBM-UHFFFAOYSA-N 2 2 339.458 3.483 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001140304031 1378042756 /nfs/dbraw/zinc/04/27/56/1378042756.db2.gz FHKHPUBAWQRUBM-UHFFFAOYSA-N 2 2 339.458 3.483 20 10 EGCDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699910 455431983 /nfs/dbraw/zinc/43/19/83/455431983.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699910 455431989 /nfs/dbraw/zinc/43/19/89/455431989.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699910 455431994 /nfs/dbraw/zinc/43/19/94/455431994.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699910 455431997 /nfs/dbraw/zinc/43/19/97/455431997.db2.gz SWXDXHPXIDARPV-CYBMUJFWSA-N 2 2 326.868 3.218 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000177266617 454844980 /nfs/dbraw/zinc/84/49/80/454844980.db2.gz YXSKSYWDPZTXBF-AWEZNQCLSA-N 2 2 336.863 3.166 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000177266617 454844982 /nfs/dbraw/zinc/84/49/82/454844982.db2.gz YXSKSYWDPZTXBF-AWEZNQCLSA-N 2 2 336.863 3.166 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000185084182 455498218 /nfs/dbraw/zinc/49/82/18/455498218.db2.gz XVGFGWBPUMMWGJ-LBPRGKRZSA-N 2 2 326.375 3.271 20 10 EGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273400958 456229216 /nfs/dbraw/zinc/22/92/16/456229216.db2.gz NDSKMUOWGNKDRE-CYBMUJFWSA-N 2 2 329.400 3.213 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000367710143 457974541 /nfs/dbraw/zinc/97/45/41/457974541.db2.gz YMBOXWXPWQESOR-MRXNPFEDSA-N 2 2 330.451 3.395 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1F ZINC000367710143 457974547 /nfs/dbraw/zinc/97/45/47/457974547.db2.gz YMBOXWXPWQESOR-MRXNPFEDSA-N 2 2 330.451 3.395 20 10 EGCDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691490051 1298134020 /nfs/dbraw/zinc/13/40/20/1298134020.db2.gz VOCFEAZKQWZRPV-UHFFFAOYSA-N 2 2 327.266 3.117 20 10 EGCDLP CC(C)[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706875241 1298225840 /nfs/dbraw/zinc/22/58/40/1298225840.db2.gz REXMOUGSCXLHDY-UHFFFAOYSA-N 2 2 327.266 3.117 20 10 EGCDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715719839 1298282877 /nfs/dbraw/zinc/28/28/77/1298282877.db2.gz VEGKXBGNYCJMGC-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715719839 1298282886 /nfs/dbraw/zinc/28/28/86/1298282886.db2.gz VEGKXBGNYCJMGC-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP CCC[NH+]1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000715826509 1298288398 /nfs/dbraw/zinc/28/83/98/1298288398.db2.gz IKDLZJQIACEAFO-UHFFFAOYSA-N 2 2 345.256 3.258 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000756362589 1300475969 /nfs/dbraw/zinc/47/59/69/1300475969.db2.gz JZSFNGUQZZICPL-LSDHHAIUSA-N 2 2 334.460 3.094 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000756362589 1300475970 /nfs/dbraw/zinc/47/59/70/1300475970.db2.gz JZSFNGUQZZICPL-LSDHHAIUSA-N 2 2 334.460 3.094 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(N2CCOCC2)cc1Cl ZINC000764889239 1302159588 /nfs/dbraw/zinc/15/95/88/1302159588.db2.gz KNAZBIOYJHXAMN-LSDHHAIUSA-N 2 2 348.878 3.112 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000882971984 1302188268 /nfs/dbraw/zinc/18/82/68/1302188268.db2.gz ZDWGTLJBMCCHED-INIZCTEOSA-N 2 2 346.421 3.325 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000882971984 1302188270 /nfs/dbraw/zinc/18/82/70/1302188270.db2.gz ZDWGTLJBMCCHED-INIZCTEOSA-N 2 2 346.421 3.325 20 10 EGCDLP CN(C)c1cc(F)c(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1F ZINC000858104787 1328683950 /nfs/dbraw/zinc/68/39/50/1328683950.db2.gz XPFIFUIXWMPIKP-KRWDZBQOSA-N 2 2 336.430 3.432 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692357 /nfs/dbraw/zinc/69/23/57/1318692357.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692365 /nfs/dbraw/zinc/69/23/65/1318692365.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692373 /nfs/dbraw/zinc/69/23/73/1318692373.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 2 2 341.421 3.299 20 10 EGCDLP CN(C)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692381 /nfs/dbraw/zinc/69/23/81/1318692381.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 2 2 341.421 3.299 20 10 EGCDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817959452 1319478279 /nfs/dbraw/zinc/47/82/79/1319478279.db2.gz RKFMBKLBQWJQRX-GJZGRUSLSA-N 2 2 339.911 3.201 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)c(F)cc1O ZINC000817976898 1319484393 /nfs/dbraw/zinc/48/43/93/1319484393.db2.gz WNXLIFROJWKDRD-YMTOWFKASA-N 2 2 343.240 3.087 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1 ZINC000841041857 1321207942 /nfs/dbraw/zinc/20/79/42/1321207942.db2.gz FTEFLJGDWBWGGI-SFHVURJKSA-N 2 2 349.425 3.186 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000841045823 1321209554 /nfs/dbraw/zinc/20/95/54/1321209554.db2.gz QYBADTQUNKVUMX-ZBCRRDGASA-N 2 2 329.410 3.463 20 10 EGCDLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841746108 1321305260 /nfs/dbraw/zinc/30/52/60/1321305260.db2.gz CHNJHSOPGBNLRG-CYBMUJFWSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841751269 1321306756 /nfs/dbraw/zinc/30/67/56/1321306756.db2.gz HAFZDWKJOHJUID-KBPBESRZSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841751269 1321306758 /nfs/dbraw/zinc/30/67/58/1321306758.db2.gz HAFZDWKJOHJUID-KBPBESRZSA-N 2 2 326.868 3.197 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930368 1322049044 /nfs/dbraw/zinc/04/90/44/1322049044.db2.gz QUOCFHSSHDSYBW-FQEVSTJZSA-N 2 2 345.531 3.220 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000848930368 1322049052 /nfs/dbraw/zinc/04/90/52/1322049052.db2.gz QUOCFHSSHDSYBW-FQEVSTJZSA-N 2 2 345.531 3.220 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H](C)C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000850386454 1322236984 /nfs/dbraw/zinc/23/69/84/1322236984.db2.gz JJAZCMSZMNIHAB-GOSISDBHSA-N 2 2 345.531 3.374 20 10 EGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921564807 1322353706 /nfs/dbraw/zinc/35/37/06/1322353706.db2.gz VQFZOJSSMZLKSH-UHFFFAOYSA-N 2 2 334.423 3.191 20 10 EGCDLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)c(F)cc1O ZINC000854222811 1325230569 /nfs/dbraw/zinc/23/05/69/1325230569.db2.gz KYSBXZLLMZYHSL-SECBINFHSA-N 2 2 331.229 3.216 20 10 EGCDLP Oc1cccc(Br)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000862228396 1329468077 /nfs/dbraw/zinc/46/80/77/1329468077.db2.gz BNYOLLSAPYKKSE-NSHDSACASA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1cccc(Br)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000862228396 1329468080 /nfs/dbraw/zinc/46/80/80/1329468080.db2.gz BNYOLLSAPYKKSE-NSHDSACASA-N 2 2 336.233 3.257 20 10 EGCDLP COc1ccc(O)c(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC001203677944 1370214001 /nfs/dbraw/zinc/21/40/01/1370214001.db2.gz BLHUUBWEWCEGDN-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP COc1ccc(O)c(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC001203677944 1370214004 /nfs/dbraw/zinc/21/40/04/1370214004.db2.gz BLHUUBWEWCEGDN-UHFFFAOYSA-N 2 2 340.467 3.497 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001203938995 1370322830 /nfs/dbraw/zinc/32/28/30/1370322830.db2.gz IBXPJTKSZLNBIO-UHFFFAOYSA-N 2 2 333.520 3.075 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](CCOC)C2CC[NH+](C)CC2)cc1 ZINC001203938995 1370322840 /nfs/dbraw/zinc/32/28/40/1370322840.db2.gz IBXPJTKSZLNBIO-UHFFFAOYSA-N 2 2 333.520 3.075 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233291096 1376605615 /nfs/dbraw/zinc/60/56/15/1376605615.db2.gz LXAXZXQMFDUAAT-INIZCTEOSA-N 2 2 348.830 3.493 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233291096 1376605618 /nfs/dbraw/zinc/60/56/18/1376605618.db2.gz LXAXZXQMFDUAAT-INIZCTEOSA-N 2 2 348.830 3.493 20 10 EGCDLP Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235046007 1376840407 /nfs/dbraw/zinc/84/04/07/1376840407.db2.gz ZZEAAUGGZYASBP-JKSUJKDBSA-N 2 2 347.256 3.244 20 10 EGCDLP Oc1ccc2cc(Br)ccc2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235046007 1376840411 /nfs/dbraw/zinc/84/04/11/1376840411.db2.gz ZZEAAUGGZYASBP-JKSUJKDBSA-N 2 2 347.256 3.244 20 10 EGCDLP Cc1cc(O)c(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1Br ZINC001236240381 1376944690 /nfs/dbraw/zinc/94/46/90/1376944690.db2.gz LCBHALHXLLBOBR-CQSZACIVSA-N 2 2 339.277 3.180 20 10 EGCDLP Cc1cc(O)c(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1Br ZINC001236240381 1376944700 /nfs/dbraw/zinc/94/47/00/1376944700.db2.gz LCBHALHXLLBOBR-CQSZACIVSA-N 2 2 339.277 3.180 20 10 EGCDLP COc1cc(C[N@@H+]2CCC[C@H]2c2nccs2)cc(C[NH+](C)C)c1O ZINC001139257859 1377858790 /nfs/dbraw/zinc/85/87/90/1377858790.db2.gz IZWLWWUWOCXALI-HNNXBMFYSA-N 2 2 347.484 3.256 20 10 EGCDLP COc1cc(C[N@H+]2CCC[C@H]2c2nccs2)cc(C[NH+](C)C)c1O ZINC001139257859 1377858793 /nfs/dbraw/zinc/85/87/93/1377858793.db2.gz IZWLWWUWOCXALI-HNNXBMFYSA-N 2 2 347.484 3.256 20 10 EGCDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1O ZINC000184894156 455468398 /nfs/dbraw/zinc/46/83/98/455468398.db2.gz ZTQDRCLJFQUGEU-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246509211 455504090 /nfs/dbraw/zinc/50/40/90/455504090.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1O ZINC000246509211 455504095 /nfs/dbraw/zinc/50/40/95/455504095.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1O ZINC000246509211 455504100 /nfs/dbraw/zinc/50/41/00/455504100.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 2 2 346.446 3.183 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1O ZINC000246509211 455504105 /nfs/dbraw/zinc/50/41/05/455504105.db2.gz IBZPWEMWGOSHGS-IFXJQAMLSA-N 2 2 346.446 3.183 20 10 EGCDLP Cc1cc(N2CCC([NH2+]Cc3c(O)cccc3Cl)CC2)nc(C)[nH+]1 ZINC000267382117 455550142 /nfs/dbraw/zinc/55/01/42/455550142.db2.gz AXFJJSNPNSKOHX-UHFFFAOYSA-N 2 2 346.862 3.211 20 10 EGCDLP CN(C)c1ccc(C[NH2+]CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000280096212 455891135 /nfs/dbraw/zinc/89/11/35/455891135.db2.gz ZOYGGFYGUTUWIA-UHFFFAOYSA-N 2 2 326.366 3.148 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000286328798 456025453 /nfs/dbraw/zinc/02/54/53/456025453.db2.gz XWKRFBBYGWGSIS-RDTXWAMCSA-N 2 2 336.451 3.073 20 10 EGCDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000271038459 456106032 /nfs/dbraw/zinc/10/60/32/456106032.db2.gz KUSOKZOXIDOPKF-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Br)ccc2O)CC1 ZINC000271038459 456106038 /nfs/dbraw/zinc/10/60/38/456106038.db2.gz KUSOKZOXIDOPKF-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP COc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1O ZINC000359869524 457136961 /nfs/dbraw/zinc/13/69/61/457136961.db2.gz IMOMUBRZBQHGET-MRXNPFEDSA-N 2 2 329.444 3.385 20 10 EGCDLP COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1O ZINC000359869524 457136966 /nfs/dbraw/zinc/13/69/66/457136966.db2.gz IMOMUBRZBQHGET-MRXNPFEDSA-N 2 2 329.444 3.385 20 10 EGCDLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048795380 1291619436 /nfs/dbraw/zinc/61/94/36/1291619436.db2.gz HBEIQURYSAESHC-UHFFFAOYSA-N 2 2 327.266 3.117 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000155964738 1294121026 /nfs/dbraw/zinc/12/10/26/1294121026.db2.gz VQBGNMBRCNYTTR-ROUUACIJSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000155964738 1294121030 /nfs/dbraw/zinc/12/10/30/1294121030.db2.gz VQBGNMBRCNYTTR-ROUUACIJSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C(C)C)C3CC3)CC2)cc1 ZINC000764682983 1302117910 /nfs/dbraw/zinc/11/79/10/1302117910.db2.gz JRKJPQFQFWBWRG-OAQYLSRUSA-N 2 2 345.531 3.232 20 10 EGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(O)cccc1F ZINC000886506441 1303479980 /nfs/dbraw/zinc/47/99/80/1303479980.db2.gz SOFRBFMATPNOBV-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP COc1cc(C)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000894166923 1306257122 /nfs/dbraw/zinc/25/71/22/1306257122.db2.gz WIFUAYXWQCTMDG-UHFFFAOYSA-N 2 2 337.423 3.244 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939448 1319468536 /nfs/dbraw/zinc/46/85/36/1319468536.db2.gz BIMHSJWDWXKLRH-PMACEKPBSA-N 2 2 325.456 3.125 20 10 EGCDLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940782 1319468931 /nfs/dbraw/zinc/46/89/31/1319468931.db2.gz HSQJJYZOLPSFDT-LIRRHRJNSA-N 2 2 343.519 3.363 20 10 EGCDLP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817965742 1319479442 /nfs/dbraw/zinc/47/94/42/1319479442.db2.gz ZPMSJECVUNBDDM-SNVBAGLBSA-N 2 2 345.256 3.334 20 10 EGCDLP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817968066 1319481159 /nfs/dbraw/zinc/48/11/59/1319481159.db2.gz GRHZGIDUOHUHHO-ONGXEEELSA-N 2 2 331.229 3.087 20 10 EGCDLP CC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973896 1319482896 /nfs/dbraw/zinc/48/28/96/1319482896.db2.gz HGAFOFJKACSMLJ-HOCLYGCPSA-N 2 2 346.393 3.220 20 10 EGCDLP Cc1ccc2cc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)ccc2n1 ZINC000841042722 1321207705 /nfs/dbraw/zinc/20/77/05/1321207705.db2.gz MVIYQTVRJWRGON-FQEVSTJZSA-N 2 2 334.467 3.399 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(OC(F)F)c2)cc1 ZINC000841042972 1321208298 /nfs/dbraw/zinc/20/82/98/1321208298.db2.gz NFRXJZXGSNYXQO-QGZVFWFLSA-N 2 2 335.398 3.144 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1O ZINC000841764618 1321308949 /nfs/dbraw/zinc/30/89/49/1321308949.db2.gz QSEITBXPGBMDCQ-XJKSGUPXSA-N 2 2 338.879 3.340 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843052538 1321462443 /nfs/dbraw/zinc/46/24/43/1321462443.db2.gz VNABLLHUOSFTPM-NWDGAFQWSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000843052538 1321462447 /nfs/dbraw/zinc/46/24/47/1321462447.db2.gz VNABLLHUOSFTPM-NWDGAFQWSA-N 2 2 327.266 3.022 20 10 EGCDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OC ZINC000848576107 1321979056 /nfs/dbraw/zinc/97/90/56/1321979056.db2.gz ZVCRTXRENMTDBQ-RTBURBONSA-N 2 2 332.488 3.338 20 10 EGCDLP CCOCc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OC ZINC000848576107 1321979062 /nfs/dbraw/zinc/97/90/62/1321979062.db2.gz ZVCRTXRENMTDBQ-RTBURBONSA-N 2 2 332.488 3.338 20 10 EGCDLP C[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)CC[C@H]1C[NH3+] ZINC001205638774 1370822819 /nfs/dbraw/zinc/82/28/19/1370822819.db2.gz RVPLFJFDIPLOAI-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)CC[C@H]1C[NH3+] ZINC001205638774 1370822823 /nfs/dbraw/zinc/82/28/23/1370822823.db2.gz RVPLFJFDIPLOAI-QWRGUYRKSA-N 2 2 345.256 3.101 20 10 EGCDLP Oc1cccc(Cl)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140339077 1378049284 /nfs/dbraw/zinc/04/92/84/1378049284.db2.gz FAJKKESMYLILHC-GJZGRUSLSA-N 2 2 343.858 3.004 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC001140925830 1378183769 /nfs/dbraw/zinc/18/37/69/1378183769.db2.gz WJMYXLPOWBGHFE-KRWDZBQOSA-N 2 2 331.847 3.454 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC001140925830 1378183772 /nfs/dbraw/zinc/18/37/72/1378183772.db2.gz WJMYXLPOWBGHFE-KRWDZBQOSA-N 2 2 331.847 3.454 20 10 EGCDLP c1cn(C2CC[NH+](Cc3cc4c5c(c3)CCCN5CCC4)CC2)c[nH+]1 ZINC001141077995 1378234179 /nfs/dbraw/zinc/23/41/79/1378234179.db2.gz IBZISCITHHBLJI-UHFFFAOYSA-N 2 2 336.483 3.419 20 10 EGCDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)Cc2cc(O)ccc2O)CC1 ZINC001141163110 1378256224 /nfs/dbraw/zinc/25/62/24/1378256224.db2.gz PKDVJASZWDABDD-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)Cc2cc(O)ccc2O)CC1 ZINC001141163110 1378256230 /nfs/dbraw/zinc/25/62/30/1378256230.db2.gz PKDVJASZWDABDD-UHFFFAOYSA-N 2 2 344.430 3.333 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184733535 455438569 /nfs/dbraw/zinc/43/85/69/455438569.db2.gz BLBUTWMLIWJJNQ-CYBMUJFWSA-N 2 2 349.862 3.242 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000184733535 455438572 /nfs/dbraw/zinc/43/85/72/455438572.db2.gz BLBUTWMLIWJJNQ-CYBMUJFWSA-N 2 2 349.862 3.242 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3nccs3)cc2F)CC1 ZINC000093406130 454712248 /nfs/dbraw/zinc/71/22/48/454712248.db2.gz PMZFFNPIKGQUKI-CQSZACIVSA-N 2 2 348.491 3.275 20 10 EGCDLP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000113314893 454922236 /nfs/dbraw/zinc/92/22/36/454922236.db2.gz GCDHHWGYXMKZPL-UHFFFAOYSA-N 2 2 346.858 3.168 20 10 EGCDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(O)c1 ZINC000185053931 455493279 /nfs/dbraw/zinc/49/32/79/455493279.db2.gz WEWTVZNEHPJZOT-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1O ZINC000185726105 455607864 /nfs/dbraw/zinc/60/78/64/455607864.db2.gz VUDUXUKYRXDUAR-UKRRQHHQSA-N 2 2 348.462 3.477 20 10 EGCDLP CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1O ZINC000185726105 455607868 /nfs/dbraw/zinc/60/78/68/455607868.db2.gz VUDUXUKYRXDUAR-UKRRQHHQSA-N 2 2 348.462 3.477 20 10 EGCDLP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287760574 456078217 /nfs/dbraw/zinc/07/82/17/456078217.db2.gz QVRQAEAUNGNELZ-YOEHRIQHSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000273369810 456226036 /nfs/dbraw/zinc/22/60/36/456226036.db2.gz FTXWEXBKEAZMAI-LLVKDONJSA-N 2 2 327.266 3.290 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(F)cc1O ZINC000273536972 456237704 /nfs/dbraw/zinc/23/77/04/456237704.db2.gz XOJXOZVMXSUQTC-CZUORRHYSA-N 2 2 344.434 3.240 20 10 EGCDLP COc1ccc(O)c(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000367670498 457970484 /nfs/dbraw/zinc/97/04/84/457970484.db2.gz NDGNIJONHRMODR-UHFFFAOYSA-N 2 2 330.428 3.090 20 10 EGCDLP COc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000367670498 457970492 /nfs/dbraw/zinc/97/04/92/457970492.db2.gz NDGNIJONHRMODR-UHFFFAOYSA-N 2 2 330.428 3.090 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000369037427 458072945 /nfs/dbraw/zinc/07/29/45/458072945.db2.gz XEWKVMGCJNVBBZ-MAUKXSAKSA-N 2 2 326.440 3.326 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000369037427 458072950 /nfs/dbraw/zinc/07/29/50/458072950.db2.gz XEWKVMGCJNVBBZ-MAUKXSAKSA-N 2 2 326.440 3.326 20 10 EGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1O ZINC000185063501 1295238758 /nfs/dbraw/zinc/23/87/58/1295238758.db2.gz QYEASPDHOYHVTN-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000877476900 1299326832 /nfs/dbraw/zinc/32/68/32/1299326832.db2.gz QQUGQEJWDVPUNR-LJQANCHMSA-N 2 2 340.467 3.081 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000877476900 1299326842 /nfs/dbraw/zinc/32/68/42/1299326842.db2.gz QQUGQEJWDVPUNR-LJQANCHMSA-N 2 2 340.467 3.081 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609977 1300532448 /nfs/dbraw/zinc/53/24/48/1300532448.db2.gz GRGBTDPVZHKHOR-NTZNESFSSA-N 2 2 327.266 3.288 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000756609977 1300532451 /nfs/dbraw/zinc/53/24/51/1300532451.db2.gz GRGBTDPVZHKHOR-NTZNESFSSA-N 2 2 327.266 3.288 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000764686213 1302118066 /nfs/dbraw/zinc/11/80/66/1302118066.db2.gz ZXUMTNILAAXEMS-QGZVFWFLSA-N 2 2 333.520 3.232 20 10 EGCDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1c(O)cccc1F ZINC000886578260 1303509541 /nfs/dbraw/zinc/50/95/41/1303509541.db2.gz PPYHLLKACYZXDW-UKRRQHHQSA-N 2 2 344.434 3.240 20 10 EGCDLP CN(C)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000793098810 1309296008 /nfs/dbraw/zinc/29/60/08/1309296008.db2.gz MPICQWNNNGYABO-CYBMUJFWSA-N 2 2 338.377 3.073 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1O ZINC000796764901 1310082196 /nfs/dbraw/zinc/08/21/96/1310082196.db2.gz UZVSNZRYTANTTJ-AEFFLSMTSA-N 2 2 336.451 3.215 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000798958104 1310463307 /nfs/dbraw/zinc/46/33/07/1310463307.db2.gz MWPJTWZVRZCNGP-UHFFFAOYSA-N 2 2 341.293 3.381 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000798958104 1310463314 /nfs/dbraw/zinc/46/33/14/1310463314.db2.gz MWPJTWZVRZCNGP-UHFFFAOYSA-N 2 2 341.293 3.381 20 10 EGCDLP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000806129273 1317462042 /nfs/dbraw/zinc/46/20/42/1317462042.db2.gz DBWLUHWCIDHFBG-MRXNPFEDSA-N 2 2 339.911 3.112 20 10 EGCDLP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000809755541 1317891759 /nfs/dbraw/zinc/89/17/59/1317891759.db2.gz JXGJMRMKNWMOIW-CYBMUJFWSA-N 2 2 326.843 3.348 20 10 EGCDLP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)CC1 ZINC000809755541 1317891764 /nfs/dbraw/zinc/89/17/64/1317891764.db2.gz JXGJMRMKNWMOIW-CYBMUJFWSA-N 2 2 326.843 3.348 20 10 EGCDLP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817889287 1319452002 /nfs/dbraw/zinc/45/20/02/1319452002.db2.gz SCMAVHJQZXFNBF-CYJAXWMASA-N 2 2 349.494 3.060 20 10 EGCDLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(O)c1C ZINC000817939974 1319468909 /nfs/dbraw/zinc/46/89/09/1319468909.db2.gz DOOWOVMHZDCFKK-HNAYVOBHSA-N 2 2 327.472 3.426 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954845 1319476680 /nfs/dbraw/zinc/47/66/80/1319476680.db2.gz LEWBJYGGQCKEAA-KXBFYZLASA-N 2 2 343.446 3.013 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817981239 1319485092 /nfs/dbraw/zinc/48/50/92/1319485092.db2.gz HTZXIJHTDPIETH-LPEHRKFASA-N 2 2 331.229 3.072 20 10 EGCDLP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817987480 1319487098 /nfs/dbraw/zinc/48/70/98/1319487098.db2.gz ZQXOGSCPDKCWHK-SNVBAGLBSA-N 2 2 343.240 3.254 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000841046222 1321209196 /nfs/dbraw/zinc/20/91/96/1321209196.db2.gz YBWVVYOLIOSPSH-GNAXCBTBSA-N 2 2 331.410 3.334 20 10 EGCDLP C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)[C@@H]1CC[NH3+] ZINC000844902322 1321655951 /nfs/dbraw/zinc/65/59/51/1321655951.db2.gz PGTKXOCCFKXLDA-SMDDNHRTSA-N 2 2 327.266 3.104 20 10 EGCDLP CN(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849350263 1322116791 /nfs/dbraw/zinc/11/67/91/1322116791.db2.gz WHJWZTJWRQBXRV-WOJBJXKFSA-N 2 2 327.447 3.127 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912848 1370908366 /nfs/dbraw/zinc/90/83/66/1370908366.db2.gz DBIWQEHHVBAZAR-NWDGAFQWSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H]2C)c1 ZINC001205912848 1370908369 /nfs/dbraw/zinc/90/83/69/1370908369.db2.gz DBIWQEHHVBAZAR-NWDGAFQWSA-N 2 2 327.266 3.022 20 10 EGCDLP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1c(O)cccc1F ZINC001119437613 1371341357 /nfs/dbraw/zinc/34/13/57/1371341357.db2.gz BPWCYUGQUATMPN-HNNXBMFYSA-N 2 2 343.446 3.134 20 10 EGCDLP Cc1cc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(C)n1-c1ccccc1 ZINC001235116238 1376847590 /nfs/dbraw/zinc/84/75/90/1376847590.db2.gz UGYSDNFOKONPHE-OAQYLSRUSA-N 2 2 339.483 3.049 20 10 EGCDLP Cc1cc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)c(C)n1-c1ccccc1 ZINC001235116238 1376847604 /nfs/dbraw/zinc/84/76/04/1376847604.db2.gz UGYSDNFOKONPHE-OAQYLSRUSA-N 2 2 339.483 3.049 20 10 EGCDLP CC[N@H+](C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237061205 1376973454 /nfs/dbraw/zinc/97/34/54/1376973454.db2.gz HDEMCHBIGPTONS-UHFFFAOYSA-N 2 2 346.393 3.249 20 10 EGCDLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001237061205 1376973461 /nfs/dbraw/zinc/97/34/61/1376973461.db2.gz HDEMCHBIGPTONS-UHFFFAOYSA-N 2 2 346.393 3.249 20 10 EGCDLP c1c(C[NH+]2CCC([NH+]3CCCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141074803 1378232501 /nfs/dbraw/zinc/23/25/01/1378232501.db2.gz TUVMIRWWMLEKOS-UHFFFAOYSA-N 2 2 339.527 3.446 20 10 EGCDLP CCOc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168394733 1383895348 /nfs/dbraw/zinc/89/53/48/1383895348.db2.gz FLBSALANEQGZHG-UHFFFAOYSA-N 2 2 343.515 3.082 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(N(C)C)cc1 ZINC000162227824 454761193 /nfs/dbraw/zinc/76/11/93/454761193.db2.gz BIFSNFOBGFRJON-QGZVFWFLSA-N 2 2 338.499 3.463 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc(Br)ccc1O ZINC000184912872 455471406 /nfs/dbraw/zinc/47/14/06/455471406.db2.gz DWXXGMVBPIGBQC-NSHDSACASA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000178231622 454943919 /nfs/dbraw/zinc/94/39/19/454943919.db2.gz NOILELLCQMHFMN-QGZVFWFLSA-N 2 2 338.499 3.463 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699292 455430207 /nfs/dbraw/zinc/43/02/07/455430207.db2.gz FBNZRERKYDHVMS-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000184699292 455430209 /nfs/dbraw/zinc/43/02/09/455430209.db2.gz FBNZRERKYDHVMS-ZDUSSCGKSA-N 2 2 326.868 3.218 20 10 EGCDLP CCCN(Cc1ccc(N(C)CCOC)[nH+]c1)c1ccc(C[NH3+])cc1 ZINC000278455078 455836732 /nfs/dbraw/zinc/83/67/32/455836732.db2.gz YOSLRZSQVVEXNU-UHFFFAOYSA-N 2 2 342.487 3.040 20 10 EGCDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000272797106 456072464 /nfs/dbraw/zinc/07/24/64/456072464.db2.gz ARABCHWZUHCGHP-GOEBONIOSA-N 2 2 326.444 3.101 20 10 EGCDLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccccc1O ZINC000272821425 456079528 /nfs/dbraw/zinc/07/95/28/456079528.db2.gz FWDUPXCAUGYXHI-HNNXBMFYSA-N 2 2 340.471 3.491 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761991 456685854 /nfs/dbraw/zinc/68/58/54/456685854.db2.gz BFBXSRBYXNVDJW-UAGQMJEPSA-N 2 2 326.440 3.059 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2ccccc2c1O ZINC000325761991 456685859 /nfs/dbraw/zinc/68/58/59/456685859.db2.gz BFBXSRBYXNVDJW-UAGQMJEPSA-N 2 2 326.440 3.059 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H](C)C3)CC2)cc1 ZINC000726707681 574567380 /nfs/dbraw/zinc/56/73/80/574567380.db2.gz FLXLYGZSCOSSPO-OALUTQOASA-N 2 2 345.531 3.376 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159287 574884630 /nfs/dbraw/zinc/88/46/30/574884630.db2.gz RRDLKIRNCBQTAN-MRXNPFEDSA-N 2 2 329.444 3.429 20 10 EGCDLP CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159287 574884633 /nfs/dbraw/zinc/88/46/33/574884633.db2.gz RRDLKIRNCBQTAN-MRXNPFEDSA-N 2 2 329.444 3.429 20 10 EGCDLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756511282 576151314 /nfs/dbraw/zinc/15/13/14/576151314.db2.gz UXOWDAVQIAOYRT-SECBINFHSA-N 2 2 342.212 3.150 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000093692670 1292931563 /nfs/dbraw/zinc/93/15/63/1292931563.db2.gz TYIGDYUGOSPSRR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000093692670 1292931575 /nfs/dbraw/zinc/93/15/75/1292931575.db2.gz TYIGDYUGOSPSRR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)o1 ZINC000133206310 1293738435 /nfs/dbraw/zinc/73/84/35/1293738435.db2.gz FWOHZXAPAVHVIQ-UHFFFAOYSA-N 2 2 345.462 3.413 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450913 1302266395 /nfs/dbraw/zinc/26/63/95/1302266395.db2.gz SEYCILYUIRTIRW-LSDHHAIUSA-N 2 2 339.911 3.167 20 10 EGCDLP Cc1cc(N2CCC([NH2+][C@H](C)c3c(O)cccc3F)CC2)nc(C)[nH+]1 ZINC000886537185 1303491380 /nfs/dbraw/zinc/49/13/80/1303491380.db2.gz VOIBWAPWAQWHMG-CYBMUJFWSA-N 2 2 344.434 3.258 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H]3[N@H+](C)CCCC3(C)C)CC2)cc1 ZINC000790499694 1306339356 /nfs/dbraw/zinc/33/93/56/1306339356.db2.gz YPFOXCLGYZGCET-HXUWFJFHSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H]3[N@@H+](C)CCCC3(C)C)CC2)cc1 ZINC000790499694 1306339367 /nfs/dbraw/zinc/33/93/67/1306339367.db2.gz YPFOXCLGYZGCET-HXUWFJFHSA-N 2 2 345.531 3.374 20 10 EGCDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886091 1309251542 /nfs/dbraw/zinc/25/15/42/1309251542.db2.gz YOWLTYXUAGLBND-HNNXBMFYSA-N 2 2 329.410 3.345 20 10 EGCDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792886091 1309251551 /nfs/dbraw/zinc/25/15/51/1309251551.db2.gz YOWLTYXUAGLBND-HNNXBMFYSA-N 2 2 329.410 3.345 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938027 1319466021 /nfs/dbraw/zinc/46/60/21/1319466021.db2.gz BRNPMBVXZCQYNB-LIRRHRJNSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938298 1319466481 /nfs/dbraw/zinc/46/64/81/1319466481.db2.gz IJRVEYUGQHCNOP-UGSOOPFHSA-N 2 2 328.416 3.011 20 10 EGCDLP C[C@@H]1C[C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939862 1319468656 /nfs/dbraw/zinc/46/86/56/1319468656.db2.gz CSNPIYXYMYHSDE-OAUYIBNBSA-N 2 2 343.446 3.435 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817954844 1319476789 /nfs/dbraw/zinc/47/67/89/1319476789.db2.gz LEWBJYGGQCKEAA-HNAYVOBHSA-N 2 2 343.446 3.013 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(Br)cc(F)c1O ZINC000817961193 1319477865 /nfs/dbraw/zinc/47/78/65/1319477865.db2.gz VGIPOMKKYVVBOH-IMSIIYSGSA-N 2 2 345.256 3.462 20 10 EGCDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817962383 1319478204 /nfs/dbraw/zinc/47/82/04/1319478204.db2.gz IYDULDZULBHKNO-HUUCEWRRSA-N 2 2 339.911 3.345 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817969508 1319480812 /nfs/dbraw/zinc/48/08/12/1319480812.db2.gz VRZHQLDIFZVWPV-NXEZZACHSA-N 2 2 331.229 3.087 20 10 EGCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000817975824 1319482627 /nfs/dbraw/zinc/48/26/27/1319482627.db2.gz CVAFPKAPGAIMDW-LNLFQRSKSA-N 2 2 328.431 3.356 20 10 EGCDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1O ZINC000825762414 1320361273 /nfs/dbraw/zinc/36/12/73/1320361273.db2.gz MCEIDGSLBTZWTP-UHFFFAOYSA-N 2 2 327.266 3.072 20 10 EGCDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1O ZINC000825762414 1320361280 /nfs/dbraw/zinc/36/12/80/1320361280.db2.gz MCEIDGSLBTZWTP-UHFFFAOYSA-N 2 2 327.266 3.072 20 10 EGCDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCc3ccc(N)cc3)CC2)cc1 ZINC000841036881 1321205982 /nfs/dbraw/zinc/20/59/82/1321205982.db2.gz WYQJFJJRBIGWLN-UHFFFAOYSA-N 2 2 338.499 3.136 20 10 EGCDLP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841044942 1321208644 /nfs/dbraw/zinc/20/86/44/1321208644.db2.gz GKQGBLQMPPHLDD-IERDGZPVSA-N 2 2 341.499 3.372 20 10 EGCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000854221816 1325230154 /nfs/dbraw/zinc/23/01/54/1325230154.db2.gz AIBPFFFAOBKMTH-BOFPYLFWSA-N 2 2 344.430 3.336 20 10 EGCDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248758 1329471040 /nfs/dbraw/zinc/47/10/40/1329471040.db2.gz RAVIZZRRFNCWFI-OLZOCXBDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(O)cccc2Br)C[C@H]1C ZINC000862248758 1329471042 /nfs/dbraw/zinc/47/10/42/1329471042.db2.gz RAVIZZRRFNCWFI-OLZOCXBDSA-N 2 2 341.293 3.459 20 10 EGCDLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863651469 1329570480 /nfs/dbraw/zinc/57/04/80/1329570480.db2.gz JNGJZKRMLHWZJA-CYBMUJFWSA-N 2 2 340.309 3.218 20 10 EGCDLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000863651469 1329570483 /nfs/dbraw/zinc/57/04/83/1329570483.db2.gz JNGJZKRMLHWZJA-CYBMUJFWSA-N 2 2 340.309 3.218 20 10 EGCDLP C[NH+](C)CC1CC[NH+](Cc2c(O)cc(Br)cc2F)CC1 ZINC001233029360 1376557304 /nfs/dbraw/zinc/55/73/04/1376557304.db2.gz BKQCSTGSZKQHNG-UHFFFAOYSA-N 2 2 345.256 3.067 20 10 EGCDLP C[C@@H]1CC[N@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[NH2+]1 ZINC001210499733 1372367559 /nfs/dbraw/zinc/36/75/59/1372367559.db2.gz WKWRTWZIHIUJOH-MRXNPFEDSA-N 2 2 326.440 3.155 20 10 EGCDLP C[C@@H]1CC[N@@H+](Cc2cc(OCc3ccccc3)ccc2O)CC[NH2+]1 ZINC001210499733 1372367563 /nfs/dbraw/zinc/36/75/63/1372367563.db2.gz WKWRTWZIHIUJOH-MRXNPFEDSA-N 2 2 326.440 3.155 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1O ZINC001233291017 1376606037 /nfs/dbraw/zinc/60/60/37/1376606037.db2.gz HRPZXGPPGMCHKS-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1O ZINC001233291017 1376606039 /nfs/dbraw/zinc/60/60/39/1376606039.db2.gz HRPZXGPPGMCHKS-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208222 1376941773 /nfs/dbraw/zinc/94/17/73/1376941773.db2.gz UFTSKJUIHVSGGV-HNNXBMFYSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236208222 1376941777 /nfs/dbraw/zinc/94/17/77/1376941777.db2.gz UFTSKJUIHVSGGV-HNNXBMFYSA-N 2 2 327.266 3.037 20 10 EGCDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4O)C[C@@H]3C2)cc1 ZINC001138124957 1377680960 /nfs/dbraw/zinc/68/09/60/1377680960.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4O)C[C@@H]3C2)cc1 ZINC001138124957 1377680961 /nfs/dbraw/zinc/68/09/61/1377680961.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(F)c4O)C[C@@H]3C2)cc1 ZINC001138124957 1377680962 /nfs/dbraw/zinc/68/09/62/1377680962.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(F)c4O)C[C@@H]3C2)cc1 ZINC001138124957 1377680963 /nfs/dbraw/zinc/68/09/63/1377680963.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 2 2 340.442 3.404 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001139408586 1377880522 /nfs/dbraw/zinc/88/05/22/1377880522.db2.gz ABOIEKQGDSLMCC-UHFFFAOYSA-N 2 2 325.431 3.093 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4ccc(F)cc4C3)cc2)CC1 ZINC001139408586 1377880524 /nfs/dbraw/zinc/88/05/24/1377880524.db2.gz ABOIEKQGDSLMCC-UHFFFAOYSA-N 2 2 325.431 3.093 20 10 EGCDLP COC1CC[NH+](C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC001140342461 1378049968 /nfs/dbraw/zinc/04/99/68/1378049968.db2.gz KAZQKDTUNAZGLL-UHFFFAOYSA-N 2 2 338.879 3.121 20 10 EGCDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299611 1378713085 /nfs/dbraw/zinc/71/30/85/1378713085.db2.gz CFJBOLINPZKEJS-UHFFFAOYSA-N 2 2 345.256 3.212 20 10 EGCDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)c(F)cc1[O-] ZINC001144299611 1378713088 /nfs/dbraw/zinc/71/30/88/1378713088.db2.gz CFJBOLINPZKEJS-UHFFFAOYSA-N 2 2 345.256 3.212 20 10 EGCDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Br)c(F)cc1O ZINC001144299611 1378713098 /nfs/dbraw/zinc/71/30/98/1378713098.db2.gz CFJBOLINPZKEJS-UHFFFAOYSA-N 2 2 345.256 3.212 20 10 EGCDLP COc1ccc(N2CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)c(C)c1 ZINC001168395016 1383895161 /nfs/dbraw/zinc/89/51/61/1383895161.db2.gz JWTYTINIPQBXSX-UHFFFAOYSA-N 2 2 343.515 3.000 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000277595133 455609187 /nfs/dbraw/zinc/60/91/87/455609187.db2.gz VDWBKTHQESJISM-CQSZACIVSA-N 2 2 327.266 3.071 20 10 EGCDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000277595133 455609196 /nfs/dbraw/zinc/60/91/96/455609196.db2.gz VDWBKTHQESJISM-CQSZACIVSA-N 2 2 327.266 3.071 20 10 EGCDLP CCOc1cccc(C[N@H+](C)Cc2[nH+]cc(C)c(OC)c2C)c1O ZINC000183782813 455327774 /nfs/dbraw/zinc/32/77/74/455327774.db2.gz DGLCQDZWBLPPKD-UHFFFAOYSA-N 2 2 330.428 3.443 20 10 EGCDLP CCOc1cccc(C[N@@H+](C)Cc2[nH+]cc(C)c(OC)c2C)c1O ZINC000183782813 455327779 /nfs/dbraw/zinc/32/77/79/455327779.db2.gz DGLCQDZWBLPPKD-UHFFFAOYSA-N 2 2 330.428 3.443 20 10 EGCDLP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1O ZINC000187674051 455937404 /nfs/dbraw/zinc/93/74/04/455937404.db2.gz FEUUYBYAYMHIHU-IHRRRGAJSA-N 2 2 342.430 3.210 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000286328794 456025510 /nfs/dbraw/zinc/02/55/10/456025510.db2.gz XWKRFBBYGWGSIS-KSSFIOAISA-N 2 2 336.451 3.073 20 10 EGCDLP CC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccccc1O ZINC000274761746 456264842 /nfs/dbraw/zinc/26/48/42/456264842.db2.gz KGTCINNRLYSAQM-FUHWJXTLSA-N 2 2 340.471 3.491 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000376470344 458310634 /nfs/dbraw/zinc/31/06/34/458310634.db2.gz BPFYNGZOPZJRRG-FQEVSTJZSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000376470344 458310640 /nfs/dbraw/zinc/31/06/40/458310640.db2.gz BPFYNGZOPZJRRG-FQEVSTJZSA-N 2 2 343.515 3.271 20 10 EGCDLP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691488398 1298134119 /nfs/dbraw/zinc/13/41/19/1298134119.db2.gz MFUWKUQTQOKILN-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756546895 1300518397 /nfs/dbraw/zinc/51/83/97/1300518397.db2.gz UQOZRJHNZNKPPI-JTQLQIEISA-N 2 2 345.256 3.286 20 10 EGCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000756587766 1300527061 /nfs/dbraw/zinc/52/70/61/1300527061.db2.gz CJNNCVKMAQFMHO-DYVFJYSZSA-N 2 2 336.476 3.196 20 10 EGCDLP CC[C@@H](C)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675711 1302115776 /nfs/dbraw/zinc/11/57/76/1302115776.db2.gz HIMALDCVLFGJPZ-MSOLQXFVSA-N 2 2 333.520 3.232 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000882971985 1302187465 /nfs/dbraw/zinc/18/74/65/1302187465.db2.gz ZDWGTLJBMCCHED-MRXNPFEDSA-N 2 2 346.421 3.325 20 10 EGCDLP Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000882971985 1302187471 /nfs/dbraw/zinc/18/74/71/1302187471.db2.gz ZDWGTLJBMCCHED-MRXNPFEDSA-N 2 2 346.421 3.325 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC=C(C)CC3)CC2)cc1 ZINC000788504176 1305958876 /nfs/dbraw/zinc/95/88/76/1305958876.db2.gz GJIPLXDBFOHXRK-IBGZPJMESA-N 2 2 343.515 3.296 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3[N@H+](C)CCCC3(C)C)CC2)cc1 ZINC000790499693 1306338894 /nfs/dbraw/zinc/33/88/94/1306338894.db2.gz YPFOXCLGYZGCET-FQEVSTJZSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)cc1 ZINC000790499693 1306338906 /nfs/dbraw/zinc/33/89/06/1306338906.db2.gz YPFOXCLGYZGCET-FQEVSTJZSA-N 2 2 345.531 3.374 20 10 EGCDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792170715 1309136076 /nfs/dbraw/zinc/13/60/76/1309136076.db2.gz WFRYOGQJXLQGRM-ZDUSSCGKSA-N 2 2 344.858 3.117 20 10 EGCDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000792170715 1309136082 /nfs/dbraw/zinc/13/60/82/1309136082.db2.gz WFRYOGQJXLQGRM-ZDUSSCGKSA-N 2 2 344.858 3.117 20 10 EGCDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cc1O ZINC000825089512 1320308418 /nfs/dbraw/zinc/30/84/18/1320308418.db2.gz DNQIIIAHNXRYCT-NSHDSACASA-N 2 2 338.249 3.086 20 10 EGCDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000817897968 1319455074 /nfs/dbraw/zinc/45/50/74/1319455074.db2.gz YEPCWSWSWDVFAT-HKUYNNGSSA-N 2 2 345.531 3.312 20 10 EGCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938586 1319465917 /nfs/dbraw/zinc/46/59/17/1319465917.db2.gz NPQRMZISORFZEM-VQTJNVASSA-N 2 2 339.483 3.428 20 10 EGCDLP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940245 1319468046 /nfs/dbraw/zinc/46/80/46/1319468046.db2.gz DZHGGQVNZOMXFW-ROUUACIJSA-N 2 2 343.446 3.177 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941130 1319470047 /nfs/dbraw/zinc/47/00/47/1319470047.db2.gz JDAHEYZTNWQKDY-JLTOFOAXSA-N 2 2 325.456 3.133 20 10 EGCDLP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000817946972 1319473667 /nfs/dbraw/zinc/47/36/67/1319473667.db2.gz IYKLQQRSRATSLC-XNWIYYODSA-N 2 2 331.229 3.214 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)c(F)cc1O ZINC000817981236 1319485613 /nfs/dbraw/zinc/48/56/13/1319485613.db2.gz HTZXIJHTDPIETH-AEJSXWLSSA-N 2 2 331.229 3.072 20 10 EGCDLP Cc1cc(Br)cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843123738 1321473375 /nfs/dbraw/zinc/47/33/75/1321473375.db2.gz OXRDFPPZHYUQJJ-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843123738 1321473378 /nfs/dbraw/zinc/47/33/78/1321473378.db2.gz OXRDFPPZHYUQJJ-MRXNPFEDSA-N 2 2 339.277 3.039 20 10 EGCDLP C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)[C@H]1CC[NH3+] ZINC000844902319 1321656059 /nfs/dbraw/zinc/65/60/59/1321656059.db2.gz PGTKXOCCFKXLDA-FZMZJTMJSA-N 2 2 327.266 3.104 20 10 EGCDLP CC[N@H+](Cc1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC001203642491 1370198657 /nfs/dbraw/zinc/19/86/57/1370198657.db2.gz JXXXZPHCRDSXIS-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP CC[N@@H+](Cc1cc(Br)ccc1O)C1CC[NH+](C)CC1 ZINC001203642491 1370198658 /nfs/dbraw/zinc/19/86/58/1370198658.db2.gz JXXXZPHCRDSXIS-UHFFFAOYSA-N 2 2 327.266 3.071 20 10 EGCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001203655718 1370203844 /nfs/dbraw/zinc/20/38/44/1370203844.db2.gz BHUUKMPKRKVVAP-IRXDYDNUSA-N 2 2 343.858 3.004 20 10 EGCDLP C[C@H]1C[N@H+](Cc2c(O)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012746 1370937793 /nfs/dbraw/zinc/93/77/93/1370937793.db2.gz NKVWVATVXJOOBL-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@H]1C[N@@H+](Cc2c(O)cc(Br)cc2F)CCC[C@@H]1C[NH3+] ZINC001206012746 1370937796 /nfs/dbraw/zinc/93/77/96/1370937796.db2.gz NKVWVATVXJOOBL-WDEREUQCSA-N 2 2 345.256 3.101 20 10 EGCDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1O ZINC001233776459 1376715137 /nfs/dbraw/zinc/71/51/37/1376715137.db2.gz SVQLTVKCONBXDA-UHFFFAOYSA-N 2 2 329.322 3.009 20 10 EGCDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(OC(F)(F)F)c1O ZINC001233776459 1376715145 /nfs/dbraw/zinc/71/51/45/1376715145.db2.gz SVQLTVKCONBXDA-UHFFFAOYSA-N 2 2 329.322 3.009 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)c(F)cc1O)C1CC[NH2+]CC1 ZINC001236183135 1376940392 /nfs/dbraw/zinc/94/03/92/1376940392.db2.gz VBLQBFVGMGBTEZ-UHFFFAOYSA-N 2 2 345.256 3.258 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)c(F)cc1O)C1CC[NH2+]CC1 ZINC001236183135 1376940398 /nfs/dbraw/zinc/94/03/98/1376940398.db2.gz VBLQBFVGMGBTEZ-UHFFFAOYSA-N 2 2 345.256 3.258 20 10 EGCDLP CCN(CC)c1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(OC)c1 ZINC001138389500 1377714322 /nfs/dbraw/zinc/71/43/22/1377714322.db2.gz OWVGCPNIEFMEBM-UHFFFAOYSA-N 2 2 333.520 3.459 20 10 EGCDLP CCN(CC)c1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(OC)c1 ZINC001138389500 1377714323 /nfs/dbraw/zinc/71/43/23/1377714323.db2.gz OWVGCPNIEFMEBM-UHFFFAOYSA-N 2 2 333.520 3.459 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3Cc4cnc(C)cc4C3)cc2)CC1 ZINC001140306181 1378043757 /nfs/dbraw/zinc/04/37/57/1378043757.db2.gz NTNBMZZXTCGNGH-UHFFFAOYSA-N 2 2 336.483 3.048 20 10 EGCDLP CC[NH+]1CCN(c2ccc(C[N@H+]3Cc4cnc(C)cc4C3)cc2)CC1 ZINC001140306181 1378043758 /nfs/dbraw/zinc/04/37/58/1378043758.db2.gz NTNBMZZXTCGNGH-UHFFFAOYSA-N 2 2 336.483 3.048 20 10 EGCDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140340538 1378048971 /nfs/dbraw/zinc/04/89/71/1378048971.db2.gz YBUZEXKJZZCNFX-UHFFFAOYSA-N 2 2 331.847 3.488 20 10 EGCDLP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc(C(C)C)[nH+]1 ZINC001156657476 1380606116 /nfs/dbraw/zinc/60/61/16/1380606116.db2.gz LCFBVBYTHXBYBD-UHFFFAOYSA-N 2 2 339.487 3.272 20 10 EGCDLP Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071297 454516383 /nfs/dbraw/zinc/51/63/83/454516383.db2.gz RUCHNTQMSCILDL-LLVKDONJSA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092071297 454516387 /nfs/dbraw/zinc/51/63/87/454516387.db2.gz RUCHNTQMSCILDL-LLVKDONJSA-N 2 2 336.233 3.257 20 10 EGCDLP Oc1cc2c(cc1C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)OCO2 ZINC000238129114 455255394 /nfs/dbraw/zinc/25/53/94/455255394.db2.gz WVOMEPDPDWQDBE-QGZVFWFLSA-N 2 2 340.423 3.048 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1O ZINC000185053708 455493256 /nfs/dbraw/zinc/49/32/56/455493256.db2.gz NEEXYOLVFXPGMV-AWEZNQCLSA-N 2 2 329.419 3.242 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1O ZINC000155200587 454973746 /nfs/dbraw/zinc/97/37/46/454973746.db2.gz KJIOCWLTYWXRDM-IBGZPJMESA-N 2 2 325.456 3.493 20 10 EGCDLP COc1cccc(C[NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)c1O ZINC000237382642 455179726 /nfs/dbraw/zinc/17/97/26/455179726.db2.gz CZSRIFTXGRGODO-SFHVURJKSA-N 2 2 326.440 3.328 20 10 EGCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000264996326 455298167 /nfs/dbraw/zinc/29/81/67/455298167.db2.gz YHUQVEVGLMHHKV-UHFFFAOYSA-N 2 2 331.847 3.195 20 10 EGCDLP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(Cl)c1O ZINC000287174956 456062669 /nfs/dbraw/zinc/06/26/69/456062669.db2.gz UTZSDHJRTRZQNN-MRXNPFEDSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1O ZINC000287174956 456062673 /nfs/dbraw/zinc/06/26/73/456062673.db2.gz UTZSDHJRTRZQNN-MRXNPFEDSA-N 2 2 339.911 3.112 20 10 EGCDLP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1O ZINC000287603345 456073828 /nfs/dbraw/zinc/07/38/28/456073828.db2.gz ISWKZGAGQPDCAG-YOEHRIQHSA-N 2 2 340.895 3.323 20 10 EGCDLP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1O ZINC000287603345 456073830 /nfs/dbraw/zinc/07/38/30/456073830.db2.gz ISWKZGAGQPDCAG-YOEHRIQHSA-N 2 2 340.895 3.323 20 10 EGCDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000289353967 456122146 /nfs/dbraw/zinc/12/21/46/456122146.db2.gz XWLMZGWKGMSDPZ-UHFFFAOYSA-N 2 2 343.446 3.088 20 10 EGCDLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273594161 456240476 /nfs/dbraw/zinc/24/04/76/456240476.db2.gz QBIPYVDTYPDZGS-CQSZACIVSA-N 2 2 334.460 3.094 20 10 EGCDLP Cc1cccn2c(CN(C)c3ccc(OCC[NH+](C)C)cc3)c[nH+]c12 ZINC000761221161 1301423216 /nfs/dbraw/zinc/42/32/16/1301423216.db2.gz BCQUHOYVMKAMDM-UHFFFAOYSA-N 2 2 338.455 3.220 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C3CCCC3)CC2)cc1 ZINC000764685403 1302117170 /nfs/dbraw/zinc/11/71/70/1302117170.db2.gz VCOIPBUMGJSAAQ-GOSISDBHSA-N 2 2 345.531 3.376 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938296 1319466300 /nfs/dbraw/zinc/46/63/00/1319466300.db2.gz IJRVEYUGQHCNOP-FZKQIMNGSA-N 2 2 328.416 3.011 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938026 1319466437 /nfs/dbraw/zinc/46/64/37/1319466437.db2.gz BRNPMBVXZCQYNB-KUHUBIRLSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938898 1319466962 /nfs/dbraw/zinc/46/69/62/1319466962.db2.gz VHBRYNXREVJTTI-FZKQIMNGSA-N 2 2 328.416 3.011 20 10 EGCDLP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940273 1319468835 /nfs/dbraw/zinc/46/88/35/1319468835.db2.gz FHXQBWWQAARFTC-XPGWFJOJSA-N 2 2 327.472 3.118 20 10 EGCDLP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939312 1319469183 /nfs/dbraw/zinc/46/91/83/1319469183.db2.gz BBIPHVHXZMHHAX-CVEARBPZSA-N 2 2 344.528 3.439 20 10 EGCDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)ccc1O ZINC000817980814 1319484224 /nfs/dbraw/zinc/48/42/24/1319484224.db2.gz DVHGEUBBKKAVEE-HZMBPMFUSA-N 2 2 327.266 3.323 20 10 EGCDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000824549035 1320264781 /nfs/dbraw/zinc/26/47/81/1320264781.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(Br)cc2O)CC1 ZINC000824549035 1320264776 /nfs/dbraw/zinc/26/47/76/1320264776.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 2 2 341.293 3.459 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C/C=C/c2ccc(F)cc2F)cc1 ZINC000841046224 1321209451 /nfs/dbraw/zinc/20/94/51/1321209451.db2.gz YBWVVYOLIOSPSH-RTLBZRNLSA-N 2 2 331.410 3.334 20 10 EGCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841745590 1321305847 /nfs/dbraw/zinc/30/58/47/1321305847.db2.gz QNICVCNBHHYFQB-HNNXBMFYSA-N 2 2 339.911 3.114 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CC[NH2+]C1 ZINC000843052972 1321462022 /nfs/dbraw/zinc/46/20/22/1321462022.db2.gz RIWGSORVORZVGR-AWEZNQCLSA-N 2 2 327.266 3.037 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CC[NH2+]C1 ZINC000843052972 1321462025 /nfs/dbraw/zinc/46/20/25/1321462025.db2.gz RIWGSORVORZVGR-AWEZNQCLSA-N 2 2 327.266 3.037 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249462 1329470875 /nfs/dbraw/zinc/47/08/75/1329470875.db2.gz PWSHCAOSBVQQBY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249462 1329470876 /nfs/dbraw/zinc/47/08/76/1329470876.db2.gz PWSHCAOSBVQQBY-ZDUSSCGKSA-N 2 2 341.293 3.318 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118431322 1371181100 /nfs/dbraw/zinc/18/11/00/1371181100.db2.gz RDXVXWCIAZWWQA-OIISXLGYSA-N 2 2 330.472 3.092 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233290790 1376605911 /nfs/dbraw/zinc/60/59/11/1376605911.db2.gz WHLGENKOYUCBHC-HNNXBMFYSA-N 2 2 334.803 3.103 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1O ZINC001233290790 1376605916 /nfs/dbraw/zinc/60/59/16/1376605916.db2.gz WHLGENKOYUCBHC-HNNXBMFYSA-N 2 2 334.803 3.103 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629151 /nfs/dbraw/zinc/62/91/51/1377629151.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629154 /nfs/dbraw/zinc/62/91/54/1377629154.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629156 /nfs/dbraw/zinc/62/91/56/1377629156.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001137839585 1377629159 /nfs/dbraw/zinc/62/91/59/1377629159.db2.gz DXSKMFSRHCPOGM-MSOLQXFVSA-N 2 2 340.442 3.485 20 10 EGCDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672677 1377931046 /nfs/dbraw/zinc/93/10/46/1377931046.db2.gz AZISHPPTIAIXMB-FQEVSTJZSA-N 2 2 345.531 3.136 20 10 EGCDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672677 1377931047 /nfs/dbraw/zinc/93/10/47/1377931047.db2.gz AZISHPPTIAIXMB-FQEVSTJZSA-N 2 2 345.531 3.136 20 10 EGCDLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185116504 455504503 /nfs/dbraw/zinc/50/45/03/455504503.db2.gz PKHNSMGJBZPJQT-LLVKDONJSA-N 2 2 347.286 3.196 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000185144944 455510227 /nfs/dbraw/zinc/51/02/27/455510227.db2.gz KPCSOKPDEUYVSY-HNNXBMFYSA-N 2 2 328.456 3.307 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000376470345 458310938 /nfs/dbraw/zinc/31/09/38/458310938.db2.gz BPFYNGZOPZJRRG-HXUWFJFHSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000376470345 458310943 /nfs/dbraw/zinc/31/09/43/458310943.db2.gz BPFYNGZOPZJRRG-HXUWFJFHSA-N 2 2 343.515 3.271 20 10 EGCDLP C[C@@H](C[NH2+]Cc1cc(-c2ccccc2)ccc1O)C[NH+]1CCOCC1 ZINC000738438807 576326194 /nfs/dbraw/zinc/32/61/94/576326194.db2.gz FSYBJXXDVOLCBH-KRWDZBQOSA-N 2 2 340.467 3.117 20 10 EGCDLP CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048795384 1291618717 /nfs/dbraw/zinc/61/87/17/1291618717.db2.gz BZIQUHOXAWDJAC-UHFFFAOYSA-N 2 2 327.266 3.119 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[NH+]3CCCCC3)CC2)cc1 ZINC000765257425 1302231259 /nfs/dbraw/zinc/23/12/59/1302231259.db2.gz YECTXVAOEQZIFB-QGZVFWFLSA-N 2 2 331.504 3.128 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450903 1302265929 /nfs/dbraw/zinc/26/59/29/1302265929.db2.gz SEYCILYUIRTIRW-CABCVRRESA-N 2 2 339.911 3.167 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cc(Cl)ccc1O ZINC000775488992 1303971619 /nfs/dbraw/zinc/97/16/19/1303971619.db2.gz LOUCYQKENZPHRZ-INIZCTEOSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)cc1O ZINC000779067382 1304524709 /nfs/dbraw/zinc/52/47/09/1304524709.db2.gz WNPQBYPQRNJNOO-ZYHUDNBSSA-N 2 2 336.233 3.017 20 10 EGCDLP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938380 1319466782 /nfs/dbraw/zinc/46/67/82/1319466782.db2.gz JQDAEYLULBOFNB-UGSOOPFHSA-N 2 2 331.435 3.251 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939308 1319468244 /nfs/dbraw/zinc/46/82/44/1319468244.db2.gz BAWGMGZGQGYSHR-RTBURBONSA-N 2 2 343.446 3.395 20 10 EGCDLP COc1ncc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000817944078 1319471582 /nfs/dbraw/zinc/47/15/82/1319471582.db2.gz XGDDANOYEQRGQG-PXAZEXFGSA-N 2 2 348.878 3.160 20 10 EGCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000817949659 1319473394 /nfs/dbraw/zinc/47/33/94/1319473394.db2.gz LNMMHJVWBGYLSK-WCQYABFASA-N 2 2 327.266 3.256 20 10 EGCDLP CC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(C(F)(F)F)cc1O ZINC000817973894 1319482161 /nfs/dbraw/zinc/48/21/61/1319482161.db2.gz HGAFOFJKACSMLJ-GDBMZVCRSA-N 2 2 346.393 3.220 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3ccc4c(c3)CCC[NH2+]4)cc2)CC1 ZINC000841037510 1321206039 /nfs/dbraw/zinc/20/60/39/1321206039.db2.gz ULAVFBOCVKNHMK-UHFFFAOYSA-N 2 2 336.483 3.409 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000841040850 1321207449 /nfs/dbraw/zinc/20/74/49/1321207449.db2.gz APFWFKCRZKRJEL-INIZCTEOSA-N 2 2 348.834 3.104 20 10 EGCDLP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000844925028 1321658221 /nfs/dbraw/zinc/65/82/21/1321658221.db2.gz PBAWWRAAWPVAHF-JTQLQIEISA-N 2 2 345.256 3.334 20 10 EGCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000850556752 1322266476 /nfs/dbraw/zinc/26/64/76/1322266476.db2.gz JBAPUGWPTPVTBS-UZLBHIALSA-N 2 2 331.504 3.047 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001118431320 1371181290 /nfs/dbraw/zinc/18/12/90/1371181290.db2.gz RDXVXWCIAZWWQA-DJIMGWMZSA-N 2 2 330.472 3.092 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118431323 1371181410 /nfs/dbraw/zinc/18/14/10/1371181410.db2.gz RDXVXWCIAZWWQA-PVAVHDDUSA-N 2 2 330.472 3.092 20 10 EGCDLP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903025 1376915096 /nfs/dbraw/zinc/91/50/96/1376915096.db2.gz HRWPTZAQTQPOEC-MAUKXSAKSA-N 2 2 326.440 3.283 20 10 EGCDLP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001235903025 1376915103 /nfs/dbraw/zinc/91/51/03/1376915103.db2.gz HRWPTZAQTQPOEC-MAUKXSAKSA-N 2 2 326.440 3.283 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)c(C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323984 1376949557 /nfs/dbraw/zinc/94/95/57/1376949557.db2.gz MNKUOOABTLGABP-CYBMUJFWSA-N 2 2 327.266 3.037 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)c(C)cc1O)[C@@H]1CC[NH2+]C1 ZINC001236323984 1376949562 /nfs/dbraw/zinc/94/95/62/1376949562.db2.gz MNKUOOABTLGABP-CYBMUJFWSA-N 2 2 327.266 3.037 20 10 EGCDLP CN1CCOc2cc(C[N@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001141146080 1378248536 /nfs/dbraw/zinc/24/85/36/1378248536.db2.gz JTLPMJRCPOZBQO-UHFFFAOYSA-N 2 2 343.515 3.354 20 10 EGCDLP CN1CCOc2cc(C[N@@H+](C3CCCC3)C3CC[NH+](C)CC3)ccc21 ZINC001141146080 1378248538 /nfs/dbraw/zinc/24/85/38/1378248538.db2.gz JTLPMJRCPOZBQO-UHFFFAOYSA-N 2 2 343.515 3.354 20 10 EGCDLP Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142524953 1378453401 /nfs/dbraw/zinc/45/34/01/1378453401.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 2 2 344.405 3.234 20 10 EGCDLP Oc1cc(F)c(F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001142524953 1378453403 /nfs/dbraw/zinc/45/34/03/1378453403.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 2 2 344.405 3.234 20 10 EGCDLP Oc1cc(F)c(F)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001142524953 1378453405 /nfs/dbraw/zinc/45/34/05/1378453405.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 2 2 344.405 3.234 20 10 EGCDLP Oc1cc(F)c(F)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001142524953 1378453407 /nfs/dbraw/zinc/45/34/07/1378453407.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 2 2 344.405 3.234 20 10 EGCDLP C[NH+]1CCN(c2cccc(NCc3cc4ccccc4cc3O)[nH+]2)CC1 ZINC001160206489 1382033842 /nfs/dbraw/zinc/03/38/42/1382033842.db2.gz JQLSFLAJYABIAZ-UHFFFAOYSA-N 2 2 348.450 3.304 20 10 EGCDLP Cc1ccc(O)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)c1 ZINC000273497390 456234385 /nfs/dbraw/zinc/23/43/85/456234385.db2.gz PMADAZOXZGQLOK-DOTOQJQBSA-N 2 2 340.471 3.409 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842660 1293156541 /nfs/dbraw/zinc/15/65/41/1293156541.db2.gz BETJFACJIRHJCR-WIYYLYMNSA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842660 1293156542 /nfs/dbraw/zinc/15/65/42/1293156542.db2.gz BETJFACJIRHJCR-WIYYLYMNSA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1O ZINC000185063479 1295237977 /nfs/dbraw/zinc/23/79/77/1295237977.db2.gz QYEASPDHOYHVTN-HNNXBMFYSA-N 2 2 344.430 3.214 20 10 EGCDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715830096 1298288422 /nfs/dbraw/zinc/28/84/22/1298288422.db2.gz WTDDRPGRXFZAOV-NSHDSACASA-N 2 2 345.256 3.114 20 10 EGCDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715830096 1298288431 /nfs/dbraw/zinc/28/84/31/1298288431.db2.gz WTDDRPGRXFZAOV-NSHDSACASA-N 2 2 345.256 3.114 20 10 EGCDLP Cc1ccc2[nH+]cc(CN(C)c3ccc(OCC[NH+](C)C)cc3)n2c1 ZINC000761223373 1301424169 /nfs/dbraw/zinc/42/41/69/1301424169.db2.gz QCGYWYYHDFUOSL-UHFFFAOYSA-N 2 2 338.455 3.220 20 10 EGCDLP CC[C@H](C)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000764675714 1302115753 /nfs/dbraw/zinc/11/57/53/1302115753.db2.gz HIMALDCVLFGJPZ-ZWKOTPCHSA-N 2 2 333.520 3.232 20 10 EGCDLP CSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC[NH+](C)CC1 ZINC000810252533 1317986502 /nfs/dbraw/zinc/98/65/02/1317986502.db2.gz QRMVBZFYSONRSS-LLVKDONJSA-N 2 2 330.444 3.148 20 10 EGCDLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938766 1319467317 /nfs/dbraw/zinc/46/73/17/1319467317.db2.gz RQIUROHJZZFHTQ-PMACEKPBSA-N 2 2 325.456 3.038 20 10 EGCDLP C[C@@H]1C[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c2c1c(F)ccc2O ZINC000817939599 1319468796 /nfs/dbraw/zinc/46/87/96/1319468796.db2.gz CSNPIYXYMYHSDE-DQYPLSBCSA-N 2 2 343.446 3.435 20 10 EGCDLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000817961269 1319477847 /nfs/dbraw/zinc/47/78/47/1319477847.db2.gz ZVVZPUFMYGHAAS-SECBINFHSA-N 2 2 333.245 3.462 20 10 EGCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)cc(F)c1O ZINC000817981724 1319485938 /nfs/dbraw/zinc/48/59/38/1319485938.db2.gz NFKBNCAGCNINSB-LKFCYVNXSA-N 2 2 345.256 3.462 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc(Br)c(F)cc1O ZINC000818615413 1319571768 /nfs/dbraw/zinc/57/17/68/1319571768.db2.gz NXJXEURRDGADOX-ZEGGKSINSA-N 2 2 331.229 3.214 20 10 EGCDLP Cc1cc(Br)cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1O ZINC000841037398 1321206096 /nfs/dbraw/zinc/20/60/96/1321206096.db2.gz PSHFRSDRDJFRKZ-HNNXBMFYSA-N 2 2 335.245 3.253 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000841042437 1321207401 /nfs/dbraw/zinc/20/74/01/1321207401.db2.gz JPPHBIRLOMZTFF-QGZVFWFLSA-N 2 2 335.398 3.144 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]CCSCc2ccccc2)cc1 ZINC000841043266 1321208473 /nfs/dbraw/zinc/20/84/73/1321208473.db2.gz QBNRUTSLYCCCRF-IBGZPJMESA-N 2 2 329.513 3.275 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000841046196 1321209573 /nfs/dbraw/zinc/20/95/73/1321209573.db2.gz XUDHGQGMFXLIFR-QGZVFWFLSA-N 2 2 330.501 3.266 20 10 EGCDLP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000841081177 1321215561 /nfs/dbraw/zinc/21/55/61/1321215561.db2.gz XNCXTWYNQOOBAW-HAQNSBGRSA-N 2 2 327.266 3.009 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841750777 1321306266 /nfs/dbraw/zinc/30/62/66/1321306266.db2.gz JCEMODURPFZWBF-VUCTXSBTSA-N 2 2 338.879 3.074 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000848568314 1321977886 /nfs/dbraw/zinc/97/78/86/1321977886.db2.gz FNTRXCAYSYVDEV-LEWJYISDSA-N 2 2 343.515 3.271 20 10 EGCDLP COc1ccc(N2CCC([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000848568314 1321977890 /nfs/dbraw/zinc/97/78/90/1321977890.db2.gz FNTRXCAYSYVDEV-LEWJYISDSA-N 2 2 343.515 3.271 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1O ZINC000850558430 1322267278 /nfs/dbraw/zinc/26/72/78/1322267278.db2.gz WSTGTZHDWLVWOJ-NVXWUHKLSA-N 2 2 338.879 3.340 20 10 EGCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)CC2 ZINC000854221959 1325229951 /nfs/dbraw/zinc/22/99/51/1325229951.db2.gz CHJBEVITXKXDKH-KZNAEPCWSA-N 2 2 326.415 3.254 20 10 EGCDLP Oc1cccc2c1[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)CC2 ZINC000854223487 1325232213 /nfs/dbraw/zinc/23/22/13/1325232213.db2.gz GHPVTJADLQLLPP-KZNAEPCWSA-N 2 2 326.415 3.254 20 10 EGCDLP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2O)CCC[C@@H]1C[NH3+] ZINC001206021732 1370940695 /nfs/dbraw/zinc/94/06/95/1370940695.db2.gz AVDSFXQEKXRPKU-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2O)CCC[C@@H]1C[NH3+] ZINC001206021732 1370940699 /nfs/dbraw/zinc/94/06/99/1370940699.db2.gz AVDSFXQEKXRPKU-GHMZBOCLSA-N 2 2 345.256 3.101 20 10 EGCDLP CC[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC[NH+](C)CC1 ZINC001233111046 1376571163 /nfs/dbraw/zinc/57/11/63/1376571163.db2.gz YVXAUCOXEYAPBQ-UHFFFAOYSA-N 2 2 341.293 3.379 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912847 1370908516 /nfs/dbraw/zinc/90/85/16/1370908516.db2.gz DBIWQEHHVBAZAR-NEPJUHHUSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H]2C)c1 ZINC001205912847 1370908519 /nfs/dbraw/zinc/90/85/19/1370908519.db2.gz DBIWQEHHVBAZAR-NEPJUHHUSA-N 2 2 327.266 3.022 20 10 EGCDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001326474161 1388207217 /nfs/dbraw/zinc/20/72/17/1388207217.db2.gz SXWVQFOGIHSTHK-GDBMZVCRSA-N 2 2 338.455 3.166 20 10 EGCDLP Oc1ccc(OCc2ccccc2)cc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112638 1376845923 /nfs/dbraw/zinc/84/59/23/1376845923.db2.gz YZTMMJRZLODNCM-NRFANRHFSA-N 2 2 338.451 3.299 20 10 EGCDLP Oc1ccc(OCc2ccccc2)cc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112638 1376845931 /nfs/dbraw/zinc/84/59/31/1376845931.db2.gz YZTMMJRZLODNCM-NRFANRHFSA-N 2 2 338.451 3.299 20 10 EGCDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672678 1377930958 /nfs/dbraw/zinc/93/09/58/1377930958.db2.gz AZISHPPTIAIXMB-HXUWFJFHSA-N 2 2 345.531 3.136 20 10 EGCDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC001139672678 1377930959 /nfs/dbraw/zinc/93/09/59/1377930959.db2.gz AZISHPPTIAIXMB-HXUWFJFHSA-N 2 2 345.531 3.136 20 10 EGCDLP CC[N@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC[NH+](C)CC1 ZINC001141075914 1378232985 /nfs/dbraw/zinc/23/29/85/1378232985.db2.gz GFOCWJHJQBFZMV-UHFFFAOYSA-N 2 2 327.516 3.302 20 10 EGCDLP CC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CC[NH+](C)CC1 ZINC001141075914 1378232987 /nfs/dbraw/zinc/23/29/87/1378232987.db2.gz GFOCWJHJQBFZMV-UHFFFAOYSA-N 2 2 327.516 3.302 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001328659454 1388799769 /nfs/dbraw/zinc/79/97/69/1388799769.db2.gz KIVZZRNOGBGHDN-QGZVFWFLSA-N 2 2 326.488 3.249 20 10 EGCDLP Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001328659454 1388799777 /nfs/dbraw/zinc/79/97/77/1388799777.db2.gz KIVZZRNOGBGHDN-QGZVFWFLSA-N 2 2 326.488 3.249 20 10 EGCDLP CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000091960796 454495289 /nfs/dbraw/zinc/49/52/89/454495289.db2.gz HJLXZKVRWGRMDC-MAUKXSAKSA-N 2 2 329.444 3.461 20 10 EGCDLP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000091960796 454495293 /nfs/dbraw/zinc/49/52/93/454495293.db2.gz HJLXZKVRWGRMDC-MAUKXSAKSA-N 2 2 329.444 3.461 20 10 EGCDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184226 455545726 /nfs/dbraw/zinc/54/57/26/455545726.db2.gz IKPNZHXEKFEXNS-LJQANCHMSA-N 2 2 331.504 3.128 20 10 EGCDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161184226 455545731 /nfs/dbraw/zinc/54/57/31/455545731.db2.gz IKPNZHXEKFEXNS-LJQANCHMSA-N 2 2 331.504 3.128 20 10 EGCDLP C[NH+](C)C1CCN(c2ccc(NCc3cc(F)ccc3O)[nH+]c2)CC1 ZINC000272524113 455981753 /nfs/dbraw/zinc/98/17/53/455981753.db2.gz YTMDSDQMYCBHCW-UHFFFAOYSA-N 2 2 344.434 3.069 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(Cl)c1O ZINC000287546111 456072085 /nfs/dbraw/zinc/07/20/85/456072085.db2.gz FISPLIIBTGTZOC-INIZCTEOSA-N 2 2 326.868 3.197 20 10 EGCDLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000273369814 456225443 /nfs/dbraw/zinc/22/54/43/456225443.db2.gz FTXWEXBKEAZMAI-NSHDSACASA-N 2 2 327.266 3.290 20 10 EGCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc(Cl)ccc1O ZINC000363855632 457457258 /nfs/dbraw/zinc/45/72/58/457457258.db2.gz NKQSSIRWWCFRCJ-GFCCVEGCSA-N 2 2 328.803 3.477 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842655 1293156623 /nfs/dbraw/zinc/15/66/23/1293156623.db2.gz BETJFACJIRHJCR-NQIIRXRSSA-N 2 2 345.531 3.174 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1ccc(N2CCCCC2)cc1 ZINC000834842655 1293156625 /nfs/dbraw/zinc/15/66/25/1293156625.db2.gz BETJFACJIRHJCR-NQIIRXRSSA-N 2 2 345.531 3.174 20 10 EGCDLP Cc1cccc(O)c1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000877114755 1299162562 /nfs/dbraw/zinc/16/25/62/1299162562.db2.gz ABJAFWLAPSVEOE-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(O)c1 ZINC000877115959 1299162660 /nfs/dbraw/zinc/16/26/60/1299162660.db2.gz XWIMOJLQAXFAJS-MRXNPFEDSA-N 2 2 325.456 3.411 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939300 1319465953 /nfs/dbraw/zinc/46/59/53/1319465953.db2.gz BAWGMGZGQGYSHR-OALUTQOASA-N 2 2 343.446 3.395 20 10 EGCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938897 1319466926 /nfs/dbraw/zinc/46/69/26/1319466926.db2.gz VHBRYNXREVJTTI-ACJLOTCBSA-N 2 2 328.416 3.011 20 10 EGCDLP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940807 1319468260 /nfs/dbraw/zinc/46/82/60/1319468260.db2.gz HUTFHCPPQMOEJU-VQTJNVASSA-N 2 2 339.483 3.428 20 10 EGCDLP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940272 1319468275 /nfs/dbraw/zinc/46/82/75/1319468275.db2.gz FHXQBWWQAARFTC-BEVDRBHNSA-N 2 2 327.472 3.118 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942601 1319469695 /nfs/dbraw/zinc/46/96/95/1319469695.db2.gz PUZBYLFZUKRYMZ-RBUKOAKNSA-N 2 2 331.410 3.308 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Br)cc(F)c1O ZINC000817981795 1319485186 /nfs/dbraw/zinc/48/51/86/1319485186.db2.gz NSWQCZXNBYTRDP-QXEWZRGKSA-N 2 2 331.229 3.072 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000841044951 1321208457 /nfs/dbraw/zinc/20/84/57/1321208457.db2.gz GQDKNJQVOZLHLR-OAQYLSRUSA-N 2 2 338.499 3.011 20 10 EGCDLP CCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1O ZINC000849349605 1322116011 /nfs/dbraw/zinc/11/60/11/1322116011.db2.gz CFAKSXFDQPVTQP-QZTJIDSGSA-N 2 2 344.430 3.165 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278167 1373823828 /nfs/dbraw/zinc/82/38/28/1373823828.db2.gz XLMGTEZBYAEZBX-INIZCTEOSA-N 2 2 344.377 3.256 20 10 EGCDLP Oc1cccc(OC(F)(F)F)c1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222278167 1373823831 /nfs/dbraw/zinc/82/38/31/1373823831.db2.gz XLMGTEZBYAEZBX-INIZCTEOSA-N 2 2 344.377 3.256 20 10 EGCDLP CCC[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1CC[NH2+]C1 ZINC001236843239 1376966818 /nfs/dbraw/zinc/96/68/18/1376966818.db2.gz MDYCTPWOOBNNHW-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP CCC[N@H+](Cc1cc(Br)cc(F)c1O)C[C@H]1CC[NH2+]C1 ZINC001236843239 1376966822 /nfs/dbraw/zinc/96/68/22/1376966822.db2.gz MDYCTPWOOBNNHW-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP Oc1cccc(F)c1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628702 /nfs/dbraw/zinc/62/87/02/1377628702.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628705 /nfs/dbraw/zinc/62/87/05/1377628705.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628707 /nfs/dbraw/zinc/62/87/07/1377628707.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 2 2 340.442 3.485 20 10 EGCDLP Oc1cccc(F)c1C[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001137839589 1377628710 /nfs/dbraw/zinc/62/87/10/1377628710.db2.gz DXSKMFSRHCPOGM-ZWKOTPCHSA-N 2 2 340.442 3.485 20 10 EGCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358969 1377709497 /nfs/dbraw/zinc/70/94/97/1377709497.db2.gz FPYGGRYKYZVKPO-IBGZPJMESA-N 2 2 337.467 3.426 20 10 EGCDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358969 1377709498 /nfs/dbraw/zinc/70/94/98/1377709498.db2.gz FPYGGRYKYZVKPO-IBGZPJMESA-N 2 2 337.467 3.426 20 10 EGCDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837942 1378188841 /nfs/dbraw/zinc/18/88/41/1378188841.db2.gz JYHGNISQMKPLGR-INIZCTEOSA-N 2 2 328.378 3.329 20 10 EGCDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837942 1378188844 /nfs/dbraw/zinc/18/88/44/1378188844.db2.gz JYHGNISQMKPLGR-INIZCTEOSA-N 2 2 328.378 3.329 20 10 EGCDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837942 1378188849 /nfs/dbraw/zinc/18/88/49/1378188849.db2.gz JYHGNISQMKPLGR-INIZCTEOSA-N 2 2 328.378 3.329 20 10 EGCDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276837942 1378188853 /nfs/dbraw/zinc/18/88/53/1378188853.db2.gz JYHGNISQMKPLGR-INIZCTEOSA-N 2 2 328.378 3.329 20 10 EGCDLP c1c(C[NH+]2CCC([NH+]3CCC3)CC2)cc2c3c1CCCN3CCC2 ZINC001141079225 1378234018 /nfs/dbraw/zinc/23/40/18/1378234018.db2.gz XOBFLNDQYZDYNL-UHFFFAOYSA-N 2 2 325.500 3.056 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000190784725 455381971 /nfs/dbraw/zinc/38/19/71/455381971.db2.gz GDLDVIFOGSGGEY-UHFFFAOYSA-N 2 2 349.837 3.334 20 10 EGCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000190784725 455381978 /nfs/dbraw/zinc/38/19/78/455381978.db2.gz GDLDVIFOGSGGEY-UHFFFAOYSA-N 2 2 349.837 3.334 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836058 455524802 /nfs/dbraw/zinc/52/48/02/455524802.db2.gz USUNDLOVQRIQNW-IEBWSBKVSA-N 2 2 340.467 3.334 20 10 EGCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccccc1O ZINC000191836058 455524808 /nfs/dbraw/zinc/52/48/08/455524808.db2.gz USUNDLOVQRIQNW-IEBWSBKVSA-N 2 2 340.467 3.334 20 10 EGCDLP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3O)CC2)nc(C)[nH+]1 ZINC000185654783 455590449 /nfs/dbraw/zinc/59/04/49/455590449.db2.gz FFGBYINOROYRGR-ZDUSSCGKSA-N 2 2 344.434 3.258 20 10 EGCDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(O)cccc3Cl)[nH+]c2)C1 ZINC000269511766 455848897 /nfs/dbraw/zinc/84/88/97/455848897.db2.gz OQCAWMPUBZLXTP-AWEZNQCLSA-N 2 2 346.862 3.193 20 10 EGCDLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000286328783 456025419 /nfs/dbraw/zinc/02/54/19/456025419.db2.gz XWKRFBBYGWGSIS-KBXCAEBGSA-N 2 2 336.451 3.073 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1O ZINC000286328789 456025484 /nfs/dbraw/zinc/02/54/84/456025484.db2.gz XWKRFBBYGWGSIS-KDOFPFPSSA-N 2 2 336.451 3.073 20 10 EGCDLP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287306077 456066955 /nfs/dbraw/zinc/06/69/55/456066955.db2.gz CSEOUYIQQVABSP-CQSZACIVSA-N 2 2 347.286 3.196 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1O ZINC000273363626 456225382 /nfs/dbraw/zinc/22/53/82/456225382.db2.gz DJSPMWOJGXABDG-NILFDRSVSA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1O ZINC000273363626 456225385 /nfs/dbraw/zinc/22/53/85/456225385.db2.gz DJSPMWOJGXABDG-NILFDRSVSA-N 2 2 339.277 3.432 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000274316484 456255334 /nfs/dbraw/zinc/25/53/34/456255334.db2.gz WMTCQEMKXXBJSV-CRAIPNDOSA-N 2 2 326.440 3.011 20 10 EGCDLP COc1cccc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000274316484 456255340 /nfs/dbraw/zinc/25/53/40/456255340.db2.gz WMTCQEMKXXBJSV-CRAIPNDOSA-N 2 2 326.440 3.011 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325762002 456686266 /nfs/dbraw/zinc/68/62/66/456686266.db2.gz BFBXSRBYXNVDJW-XIRDDKMYSA-N 2 2 326.440 3.059 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2ccccc2c1O ZINC000325762002 456686274 /nfs/dbraw/zinc/68/62/74/456686274.db2.gz BFBXSRBYXNVDJW-XIRDDKMYSA-N 2 2 326.440 3.059 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000365665111 457768692 /nfs/dbraw/zinc/76/86/92/457768692.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 2 2 347.846 3.361 20 10 EGCDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000365665111 457768699 /nfs/dbraw/zinc/76/86/99/457768699.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 2 2 347.846 3.361 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217168 457800549 /nfs/dbraw/zinc/80/05/49/457800549.db2.gz DSFUMCUDNPSHFM-YYWHXJBOSA-N 2 2 343.515 3.191 20 10 EGCDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217168 457800553 /nfs/dbraw/zinc/80/05/53/457800553.db2.gz DSFUMCUDNPSHFM-YYWHXJBOSA-N 2 2 343.515 3.191 20 10 EGCDLP Oc1c(Br)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000048795126 1291619066 /nfs/dbraw/zinc/61/90/66/1291619066.db2.gz ZOCQHGBPSKDSBD-UHFFFAOYSA-N 2 2 327.266 3.120 20 10 EGCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827949855 1292410832 /nfs/dbraw/zinc/41/08/32/1292410832.db2.gz OKSQYQKUDGJJMG-CYBMUJFWSA-N 2 2 326.843 3.396 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000155964612 1294121013 /nfs/dbraw/zinc/12/10/13/1294121013.db2.gz VQBGNMBRCNYTTR-MSOLQXFVSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000155964612 1294121017 /nfs/dbraw/zinc/12/10/17/1294121017.db2.gz VQBGNMBRCNYTTR-MSOLQXFVSA-N 2 2 345.531 3.374 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccoc3)CC2)cc1 ZINC000178423334 1294733154 /nfs/dbraw/zinc/73/31/54/1294733154.db2.gz ATRCOSUSGWCYFU-QGZVFWFLSA-N 2 2 343.471 3.151 20 10 EGCDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000765450909 1302266225 /nfs/dbraw/zinc/26/62/25/1302266225.db2.gz SEYCILYUIRTIRW-HUUCEWRRSA-N 2 2 339.911 3.167 20 10 EGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c(O)cccc1F ZINC000886506442 1303480592 /nfs/dbraw/zinc/48/05/92/1303480592.db2.gz SOFRBFMATPNOBV-OAHLLOKOSA-N 2 2 344.430 3.214 20 10 EGCDLP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817964632 1319479496 /nfs/dbraw/zinc/47/94/96/1319479496.db2.gz GPFFXFAXODYZSM-JTQLQIEISA-N 2 2 345.256 3.334 20 10 EGCDLP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938024 1319466529 /nfs/dbraw/zinc/46/65/29/1319466529.db2.gz BRNPMBVXZCQYNB-AUUYWEPGSA-N 2 2 343.471 3.120 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938638 1319466865 /nfs/dbraw/zinc/46/68/65/1319466865.db2.gz OTFHQGMKORQCOI-HRAATJIYSA-N 2 2 349.482 3.289 20 10 EGCDLP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817938505 1319467227 /nfs/dbraw/zinc/46/72/27/1319467227.db2.gz LTUUGVUOVJDPOW-LEWJYISDSA-N 2 2 339.483 3.428 20 10 EGCDLP C[C@H](CCCc1cccnc1)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940279 1319468845 /nfs/dbraw/zinc/46/88/45/1319468845.db2.gz FIQGCHWUOOUOLX-UZLBHIALSA-N 2 2 326.488 3.148 20 10 EGCDLP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942743 1319470015 /nfs/dbraw/zinc/47/00/15/1319470015.db2.gz QSMLQSSXPRAOKL-MLGOLLRUSA-N 2 2 332.517 3.431 20 10 EGCDLP CC(C)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944031 1319471760 /nfs/dbraw/zinc/47/17/60/1319471760.db2.gz WUNNYDJLOKUTDK-HKUYNNGSSA-N 2 2 330.451 3.273 20 10 EGCDLP CCN(C)c1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC000817947544 1319473909 /nfs/dbraw/zinc/47/39/09/1319473909.db2.gz ALWVSYNONQSVKB-INIZCTEOSA-N 2 2 339.487 3.120 20 10 EGCDLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cc(Br)ccc1O ZINC000817950784 1319475485 /nfs/dbraw/zinc/47/54/85/1319475485.db2.gz YULRBVLULMLHLI-JSGCOSHPSA-N 2 2 327.266 3.338 20 10 EGCDLP COc1ccc2oc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)cc2c1 ZINC000841046253 1321209208 /nfs/dbraw/zinc/20/92/08/1321209208.db2.gz YOTUJVXEWSALLP-IBGZPJMESA-N 2 2 339.439 3.297 20 10 EGCDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841086396 1321215856 /nfs/dbraw/zinc/21/58/56/1321215856.db2.gz AEEFADODQWYIJY-KRWDZBQOSA-N 2 2 334.464 3.048 20 10 EGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Cl)cc1O ZINC000841750773 1321306945 /nfs/dbraw/zinc/30/69/45/1321306945.db2.gz JCEMODURPFZWBF-JCURWCKSSA-N 2 2 338.879 3.074 20 10 EGCDLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cc(Br)c(F)cc1O ZINC000854222812 1325230515 /nfs/dbraw/zinc/23/05/15/1325230515.db2.gz KYSBXZLLMZYHSL-VIFPVBQESA-N 2 2 331.229 3.216 20 10 EGCDLP Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880855 1370298041 /nfs/dbraw/zinc/29/80/41/1370298041.db2.gz JFPSFAOUPKEIMF-MOPGFXCFSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880855 1370298042 /nfs/dbraw/zinc/29/80/42/1370298042.db2.gz JFPSFAOUPKEIMF-MOPGFXCFSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880855 1370298044 /nfs/dbraw/zinc/29/80/44/1370298044.db2.gz JFPSFAOUPKEIMF-MOPGFXCFSA-N 2 2 338.451 3.052 20 10 EGCDLP Oc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001203880855 1370298050 /nfs/dbraw/zinc/29/80/50/1370298050.db2.gz JFPSFAOUPKEIMF-MOPGFXCFSA-N 2 2 338.451 3.052 20 10 EGCDLP COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001116445522 1370912910 /nfs/dbraw/zinc/91/29/10/1370912910.db2.gz SYCQIMSGUJGWNK-OAHLLOKOSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1cccc(O)c1C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001116445522 1370912913 /nfs/dbraw/zinc/91/29/13/1370912913.db2.gz SYCQIMSGUJGWNK-OAHLLOKOSA-N 2 2 327.428 3.181 20 10 EGCDLP [NH3+][C@@H]1CCCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001205931171 1370915489 /nfs/dbraw/zinc/91/54/89/1370915489.db2.gz HREMCKVXOJRSOF-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP [NH3+][C@@H]1CCCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001205931171 1370915494 /nfs/dbraw/zinc/91/54/94/1370915494.db2.gz HREMCKVXOJRSOF-GOSISDBHSA-N 2 2 326.440 3.284 20 10 EGCDLP Cc1ccccc1/N=N/c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C)c1 ZINC001219205271 1373694088 /nfs/dbraw/zinc/69/40/88/1373694088.db2.gz ARQMPXJYLSYBAT-VBPMHHAGSA-N 2 2 337.427 3.204 20 10 EGCDLP COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc(C[NH+](C)C)c1O ZINC001139253526 1377857997 /nfs/dbraw/zinc/85/79/97/1377857997.db2.gz XCYIPSLMNUZSRW-KRWDZBQOSA-N 2 2 345.443 3.096 20 10 EGCDLP COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc(C[NH+](C)C)c1O ZINC001139253526 1377858001 /nfs/dbraw/zinc/85/80/01/1377858001.db2.gz XCYIPSLMNUZSRW-KRWDZBQOSA-N 2 2 345.443 3.096 20 10 EGCDLP CSCc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001156659385 1380605926 /nfs/dbraw/zinc/60/59/26/1380605926.db2.gz LAAOXGLJBQIQPY-UHFFFAOYSA-N 2 2 342.512 3.309 20 10 EGCDLP Cc1ccc(C)n1-c1ccc([NH2+]CC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001163088291 1382961833 /nfs/dbraw/zinc/96/18/33/1382961833.db2.gz CBEJQFQNNWQFOR-QGZVFWFLSA-N 2 2 325.456 3.275 20 10 EGCDLP Cc1occc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320493615 1386625888 /nfs/dbraw/zinc/62/58/88/1386625888.db2.gz BRPKHLQRVOYKAF-UHFFFAOYSA-N 2 2 331.435 3.111 20 10 EGCDLP Cc1occc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320493615 1386625894 /nfs/dbraw/zinc/62/58/94/1386625894.db2.gz BRPKHLQRVOYKAF-UHFFFAOYSA-N 2 2 331.435 3.111 20 10 EGCDLP Oc1ccc(Br)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648312 454599928 /nfs/dbraw/zinc/59/99/28/454599928.db2.gz MWJYLGZCQZLHSI-UHFFFAOYSA-N 2 2 336.233 3.188 20 10 EGCDLP Cc1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000185063192 455494448 /nfs/dbraw/zinc/49/44/48/455494448.db2.gz GELJSUUDYOYNOH-KRWDZBQOSA-N 2 2 340.467 3.384 20 10 EGCDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192737864 455683035 /nfs/dbraw/zinc/68/30/35/455683035.db2.gz YRNGDTJBYDKJBI-NSHDSACASA-N 2 2 347.286 3.460 20 10 EGCDLP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000287760571 456077940 /nfs/dbraw/zinc/07/79/40/456077940.db2.gz QVRQAEAUNGNELZ-WMLDXEAASA-N 2 2 339.911 3.112 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(Br)cc1O ZINC000273363630 456225218 /nfs/dbraw/zinc/22/52/18/456225218.db2.gz DJSPMWOJGXABDG-TUKIKUTGSA-N 2 2 339.277 3.432 20 10 EGCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1O ZINC000273363630 456225226 /nfs/dbraw/zinc/22/52/26/456225226.db2.gz DJSPMWOJGXABDG-TUKIKUTGSA-N 2 2 339.277 3.432 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CCC3CC3)CC2)cc1 ZINC000769406262 1303108838 /nfs/dbraw/zinc/10/88/38/1303108838.db2.gz IMDBFUIMXXJBRK-GOSISDBHSA-N 2 2 345.531 3.376 20 10 EGCDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715828977 1298289343 /nfs/dbraw/zinc/28/93/43/1298289343.db2.gz QTIFIXKRTFJVQZ-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715828977 1298289350 /nfs/dbraw/zinc/28/93/50/1298289350.db2.gz QTIFIXKRTFJVQZ-NSHDSACASA-N 2 2 345.256 3.115 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000761191894 1301417388 /nfs/dbraw/zinc/41/73/88/1301417388.db2.gz ZOCVEEBARBDRDP-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1O ZINC000761191894 1301417390 /nfs/dbraw/zinc/41/73/90/1301417390.db2.gz ZOCVEEBARBDRDP-UHFFFAOYSA-N 2 2 326.868 3.359 20 10 EGCDLP C[NH+]1CCN(c2ccc(C[NH2+]CC(F)(F)c3ccccc3)cc2)CC1 ZINC000788968949 1306052698 /nfs/dbraw/zinc/05/26/98/1306052698.db2.gz DFKGYUPPVGIIQV-UHFFFAOYSA-N 2 2 345.437 3.320 20 10 EGCDLP CN(C)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(C(F)(F)F)c1 ZINC000793098817 1309295484 /nfs/dbraw/zinc/29/54/84/1309295484.db2.gz MPICQWNNNGYABO-ZDUSSCGKSA-N 2 2 338.377 3.073 20 10 EGCDLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1O ZINC000796764910 1310082332 /nfs/dbraw/zinc/08/23/32/1310082332.db2.gz UZVSNZRYTANTTJ-WMZOPIPTSA-N 2 2 336.451 3.215 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC34CCC4)CC2)cc1 ZINC000800473271 1310765683 /nfs/dbraw/zinc/76/56/83/1310765683.db2.gz PXSCHDLLPLPFHV-FQEVSTJZSA-N 2 2 343.515 3.130 20 10 EGCDLP C[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1O)C[NH+](C)C ZINC000813878554 1318648978 /nfs/dbraw/zinc/64/89/78/1318648978.db2.gz PFBQWTHFABYNPJ-NXEZZACHSA-N 2 2 333.245 3.142 20 10 EGCDLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817938508 1319465799 /nfs/dbraw/zinc/46/57/99/1319465799.db2.gz LTUUGVUOVJDPOW-SFTDATJTSA-N 2 2 339.483 3.428 20 10 EGCDLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938767 1319466821 /nfs/dbraw/zinc/46/68/21/1319466821.db2.gz RQIUROHJZZFHTQ-UXHICEINSA-N 2 2 325.456 3.038 20 10 EGCDLP COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939102 1319467270 /nfs/dbraw/zinc/46/72/70/1319467270.db2.gz YWVUXMIWZXWCRF-HNAYVOBHSA-N 2 2 327.472 3.420 20 10 EGCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938899 1319467301 /nfs/dbraw/zinc/46/73/01/1319467301.db2.gz VHBRYNXREVJTTI-SCLBCKFNSA-N 2 2 328.416 3.011 20 10 EGCDLP Cc1c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942845 1319471068 /nfs/dbraw/zinc/47/10/68/1319471068.db2.gz RFQPTFLLROHOTK-LIRRHRJNSA-N 2 2 329.492 3.189 20 10 EGCDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)ccc1O ZINC000817980815 1319484004 /nfs/dbraw/zinc/48/40/04/1319484004.db2.gz DVHGEUBBKKAVEE-IINYFYTJSA-N 2 2 327.266 3.323 20 10 EGCDLP C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000817976246 1319484182 /nfs/dbraw/zinc/48/41/82/1319484182.db2.gz ISFNGPCEMFBCFP-NXEZZACHSA-N 2 2 333.245 3.462 20 10 EGCDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)cc(F)c1O ZINC000817981725 1319485274 /nfs/dbraw/zinc/48/52/74/1319485274.db2.gz NFKBNCAGCNINSB-OTYXRUKQSA-N 2 2 345.256 3.462 20 10 EGCDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000825265947 1320322730 /nfs/dbraw/zinc/32/27/30/1320322730.db2.gz GQISSBUFHWCUFR-INIZCTEOSA-N 2 2 338.879 3.087 20 10 EGCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841745591 1321305579 /nfs/dbraw/zinc/30/55/79/1321305579.db2.gz QNICVCNBHHYFQB-OAHLLOKOSA-N 2 2 339.911 3.114 20 10 EGCDLP Oc1ccc(C[NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)c(O)c1 ZINC001204281076 1370431483 /nfs/dbraw/zinc/43/14/83/1370431483.db2.gz PPEWFWCVEMHHEP-UHFFFAOYSA-N 2 2 338.451 3.121 20 10 EGCDLP Oc1ccc(C[NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)c(O)c1 ZINC001204281076 1370431490 /nfs/dbraw/zinc/43/14/90/1370431490.db2.gz PPEWFWCVEMHHEP-UHFFFAOYSA-N 2 2 338.451 3.121 20 10 EGCDLP Oc1c(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cccc1OC(F)(F)F ZINC001222394760 1373834931 /nfs/dbraw/zinc/83/49/31/1373834931.db2.gz AKKFYLSKIGJDNK-MRXNPFEDSA-N 2 2 344.377 3.399 20 10 EGCDLP Oc1c(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)cccc1OC(F)(F)F ZINC001222394760 1373834935 /nfs/dbraw/zinc/83/49/35/1373834935.db2.gz AKKFYLSKIGJDNK-MRXNPFEDSA-N 2 2 344.377 3.399 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@@H+]3CC[C@]4(C3)CCCC[NH2+]4)ccc2O1 ZINC001222441269 1373846405 /nfs/dbraw/zinc/84/64/05/1373846405.db2.gz IBGZWNAPIHAWPV-FQEVSTJZSA-N 2 2 328.456 3.294 20 10 EGCDLP CC1(C)C=Cc2c(O)c(C[N@H+]3CC[C@]4(C3)CCCC[NH2+]4)ccc2O1 ZINC001222441269 1373846409 /nfs/dbraw/zinc/84/64/09/1373846409.db2.gz IBGZWNAPIHAWPV-FQEVSTJZSA-N 2 2 328.456 3.294 20 10 EGCDLP CCOc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC001172127015 1384736856 /nfs/dbraw/zinc/73/68/56/1384736856.db2.gz FZZDFLIQKBCVLL-PMOLBWCYSA-N 2 2 343.515 3.223 20 10 EGCDLP CCOc1ccc(N2CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172127015 1384736860 /nfs/dbraw/zinc/73/68/60/1384736860.db2.gz FZZDFLIQKBCVLL-PMOLBWCYSA-N 2 2 343.515 3.223 20 10 EGCDLP Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797033 454145874 /nfs/dbraw/zinc/14/58/74/454145874.db2.gz MFXBAXDBQKBIKO-KRWDZBQOSA-N 2 2 340.467 3.090 20 10 EGCDLP Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069797033 454145876 /nfs/dbraw/zinc/14/58/76/454145876.db2.gz MFXBAXDBQKBIKO-KRWDZBQOSA-N 2 2 340.467 3.090 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464878 454420443 /nfs/dbraw/zinc/42/04/43/454420443.db2.gz JBFHRAGGAUNCMQ-OAHLLOKOSA-N 2 2 334.435 3.042 20 10 EGCDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000079464878 454420448 /nfs/dbraw/zinc/42/04/48/454420448.db2.gz JBFHRAGGAUNCMQ-OAHLLOKOSA-N 2 2 334.435 3.042 20 10 EGCDLP CN(C)c1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1F ZINC000264970545 455298195 /nfs/dbraw/zinc/29/81/95/455298195.db2.gz QROJPGZJIVZKQW-UHFFFAOYSA-N 2 2 338.430 3.426 20 10 EGCDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000184699006 455429951 /nfs/dbraw/zinc/42/99/51/455429951.db2.gz LZNGIQYXZRTLHW-AWEZNQCLSA-N 2 2 338.879 3.362 20 10 EGCDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000184699006 455429960 /nfs/dbraw/zinc/42/99/60/455429960.db2.gz LZNGIQYXZRTLHW-AWEZNQCLSA-N 2 2 338.879 3.362 20 10 EGCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279956698 455878965 /nfs/dbraw/zinc/87/89/65/455878965.db2.gz OWVLCIXDLQYTHJ-LBPRGKRZSA-N 2 2 326.366 3.146 20 10 EGCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1cc(Cl)ccc1O ZINC000363855637 457456696 /nfs/dbraw/zinc/45/66/96/457456696.db2.gz NKQSSIRWWCFRCJ-LBPRGKRZSA-N 2 2 328.803 3.477 20 10 EGCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000371665164 458025252 /nfs/dbraw/zinc/02/52/52/458025252.db2.gz KXBHSOHKHWQPTK-HNNXBMFYSA-N 2 2 330.451 3.080 20 10 EGCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000371665164 458025257 /nfs/dbraw/zinc/02/52/57/458025257.db2.gz KXBHSOHKHWQPTK-HNNXBMFYSA-N 2 2 330.451 3.080 20 10 EGCDLP COc1cccc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1O ZINC000362086134 458030211 /nfs/dbraw/zinc/03/02/11/458030211.db2.gz KROWDIROXACGSY-MRXNPFEDSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1cccc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1O ZINC000362086134 458030215 /nfs/dbraw/zinc/03/02/15/458030215.db2.gz KROWDIROXACGSY-MRXNPFEDSA-N 2 2 327.428 3.181 20 10 EGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CCC3CC3)CC2)cc1 ZINC000769406263 1303108776 /nfs/dbraw/zinc/10/87/76/1303108776.db2.gz IMDBFUIMXXJBRK-SFHVURJKSA-N 2 2 345.531 3.376 20 10 EGCDLP C[NH+](Cc1c(O)cccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000707165861 1298226244 /nfs/dbraw/zinc/22/62/44/1298226244.db2.gz LWJQYYGTBPYHTO-FUNVUKJBSA-N 2 2 339.277 3.212 20 10 EGCDLP C[NH+](Cc1c(O)cccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000707165861 1298226249 /nfs/dbraw/zinc/22/62/49/1298226249.db2.gz LWJQYYGTBPYHTO-FUNVUKJBSA-N 2 2 339.277 3.212 20 10 EGCDLP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756791746 1300566772 /nfs/dbraw/zinc/56/67/72/1300566772.db2.gz UXMDUDMZSUBSRO-SNVBAGLBSA-N 2 2 343.240 3.206 20 10 EGCDLP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648600 1301721409 /nfs/dbraw/zinc/72/14/09/1301721409.db2.gz JYTWLMIZZZQCMS-KGLIPLIRSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762648600 1301721414 /nfs/dbraw/zinc/72/14/14/1301721414.db2.gz JYTWLMIZZZQCMS-KGLIPLIRSA-N 2 2 326.868 3.197 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470314 1303120298 /nfs/dbraw/zinc/12/02/98/1303120298.db2.gz LIRWDWMAHVITFF-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470314 1303120281 /nfs/dbraw/zinc/12/02/81/1303120281.db2.gz LIRWDWMAHVITFF-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470314 1303120289 /nfs/dbraw/zinc/12/02/89/1303120289.db2.gz LIRWDWMAHVITFF-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2O)C[C@@H]1C ZINC000769470314 1303120293 /nfs/dbraw/zinc/12/02/93/1303120293.db2.gz LIRWDWMAHVITFF-SWLSCSKDSA-N 2 2 341.293 3.459 20 10 EGCDLP CN(C)c1ccc([C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)N(C)C)cc1 ZINC000898450281 1310742410 /nfs/dbraw/zinc/74/24/10/1310742410.db2.gz PTMDLPCABHEKFK-FQEVSTJZSA-N 2 2 346.563 3.208 20 10 EGCDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016077 1320378555 /nfs/dbraw/zinc/37/85/55/1320378555.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016077 1320378558 /nfs/dbraw/zinc/37/85/58/1320378558.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016077 1320378561 /nfs/dbraw/zinc/37/85/61/1320378561.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Br)cc3O)C2)C1 ZINC000826016077 1320378563 /nfs/dbraw/zinc/37/85/63/1320378563.db2.gz GTJJTYRTIUDBGH-INIZCTEOSA-N 2 2 339.277 3.072 20 10 EGCDLP CN(C)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000809752753 1317890170 /nfs/dbraw/zinc/89/01/70/1317890170.db2.gz IEMQFKVRYFYTDO-UHFFFAOYSA-N 2 2 340.393 3.490 20 10 EGCDLP CN(C)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000809752753 1317890173 /nfs/dbraw/zinc/89/01/73/1317890173.db2.gz IEMQFKVRYFYTDO-UHFFFAOYSA-N 2 2 340.393 3.490 20 10 EGCDLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000817960415 1319478162 /nfs/dbraw/zinc/47/81/62/1319478162.db2.gz YRQCNIBIYZCKNY-VHSXEESVSA-N 2 2 333.245 3.318 20 10 EGCDLP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc(Br)c(F)cc1O ZINC000817946815 1319471839 /nfs/dbraw/zinc/47/18/39/1319471839.db2.gz FKBNUDKASGFOGM-DCAQKATOSA-N 2 2 345.256 3.333 20 10 EGCDLP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000817976248 1319484094 /nfs/dbraw/zinc/48/40/94/1319484094.db2.gz ISFNGPCEMFBCFP-UWVGGRQHSA-N 2 2 333.245 3.462 20 10 EGCDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2O)C1 ZINC000824889664 1320293982 /nfs/dbraw/zinc/29/39/82/1320293982.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2O)C1 ZINC000824889664 1320293985 /nfs/dbraw/zinc/29/39/85/1320293985.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824889664 1320293986 /nfs/dbraw/zinc/29/39/86/1320293986.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824889664 1320293989 /nfs/dbraw/zinc/29/39/89/1320293989.db2.gz SPDYBSGMVDMWCR-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc(F)cc3cccnc32)cc1 ZINC000841041725 1321207583 /nfs/dbraw/zinc/20/75/83/1321207583.db2.gz AXNPJVKRPKHLJV-IBGZPJMESA-N 2 2 338.430 3.230 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000841040851 1321207764 /nfs/dbraw/zinc/20/77/64/1321207764.db2.gz APFWFKCRZKRJEL-MRXNPFEDSA-N 2 2 348.834 3.104 20 10 EGCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc3cc(F)ccc3o2)cc1 ZINC000841044710 1321208729 /nfs/dbraw/zinc/20/87/29/1321208729.db2.gz XRTLJGDQAQOARF-GOSISDBHSA-N 2 2 327.403 3.428 20 10 EGCDLP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841046173 1321209098 /nfs/dbraw/zinc/20/90/98/1321209098.db2.gz XJXUYUIOGSKXEH-LJQANCHMSA-N 2 2 343.519 3.111 20 10 EGCDLP CC(C)(C)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(O)c(C(C)(C)C)c1 ZINC000841101646 1321218659 /nfs/dbraw/zinc/21/86/59/1321218659.db2.gz XZXBHIZEKPJECQ-INIZCTEOSA-N 2 2 334.504 3.065 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841751271 1321306715 /nfs/dbraw/zinc/30/67/15/1321306715.db2.gz HAFZDWKJOHJUID-UONOGXRCSA-N 2 2 326.868 3.197 20 10 EGCDLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841751271 1321306718 /nfs/dbraw/zinc/30/67/18/1321306718.db2.gz HAFZDWKJOHJUID-UONOGXRCSA-N 2 2 326.868 3.197 20 10 EGCDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862249538 1329471313 /nfs/dbraw/zinc/47/13/13/1329471313.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(O)cccc2Br)C1 ZINC000862249538 1329471314 /nfs/dbraw/zinc/47/13/14/1329471314.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249538 1329471315 /nfs/dbraw/zinc/47/13/15/1329471315.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862249538 1329471318 /nfs/dbraw/zinc/47/13/18/1329471318.db2.gz SULSDGXMIQWYIY-CYBMUJFWSA-N 2 2 341.293 3.318 20 10 EGCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232270463 1376427686 /nfs/dbraw/zinc/42/76/86/1376427686.db2.gz BWHYXGYESXFRKT-OAHLLOKOSA-N 2 2 348.830 3.493 20 10 EGCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC001232270463 1376427703 /nfs/dbraw/zinc/42/77/03/1376427703.db2.gz BWHYXGYESXFRKT-OAHLLOKOSA-N 2 2 348.830 3.493 20 10 EGCDLP C[NH+]1CCN(c2ccc(CNc3cc4[nH+]c[nH]c4cc3F)cc2)CC1 ZINC001167437189 1383633170 /nfs/dbraw/zinc/63/31/70/1383633170.db2.gz OMECSODDKQTTII-UHFFFAOYSA-N 2 2 339.418 3.066 20 10 EGCDLP CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC001173265203 1384946960 /nfs/dbraw/zinc/94/69/60/1384946960.db2.gz QRQRVZQGYSWFAD-OALUTQOASA-N 2 2 345.531 3.376 20 10 EGCDLP