smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC001656293685 1126257191 /nfs/dbraw/zinc/25/71/91/1126257191.db2.gz PVVRIJNAUNCPTM-HSZRJFAPSA-N 2 2 395.503 3.281 10 0 GGAELP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000035967642 205000473 /nfs/dbraw/zinc/00/04/73/205000473.db2.gz ZXBGDMYNCLFGDV-AWEZNQCLSA-N 2 2 385.339 3.485 10 0 GGAELP C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000035967642 205000475 /nfs/dbraw/zinc/00/04/75/205000475.db2.gz ZXBGDMYNCLFGDV-AWEZNQCLSA-N 2 2 385.339 3.485 10 0 GGAELP Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000036316566 205010905 /nfs/dbraw/zinc/01/09/05/205010905.db2.gz PWDXPLFLLUWWIP-UHFFFAOYSA-N 2 2 382.552 3.194 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](O)C(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340621 205011063 /nfs/dbraw/zinc/01/10/63/205011063.db2.gz VCNXQJXWXYFFPO-QHCPKHFHSA-N 2 2 396.579 3.386 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340623 205011135 /nfs/dbraw/zinc/01/11/35/205011135.db2.gz VCNXQJXWXYFFPO-HSZRJFAPSA-N 2 2 396.579 3.386 10 0 GGAELP CC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340300 205011494 /nfs/dbraw/zinc/01/14/94/205011494.db2.gz LMUFGNBIJOISGW-NRFANRHFSA-N 2 2 382.552 3.194 10 0 GGAELP CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340447 205011510 /nfs/dbraw/zinc/01/15/10/205011510.db2.gz QORZXCBRLUVTSH-OAQYLSRUSA-N 2 2 382.552 3.357 10 0 GGAELP C[C@@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057270652 205154926 /nfs/dbraw/zinc/15/49/26/205154926.db2.gz NNGMAGISELJELI-HXUWFJFHSA-N 2 2 392.547 3.432 10 0 GGAELP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCc1ccc(F)cc1 ZINC000058160812 205166534 /nfs/dbraw/zinc/16/65/34/205166534.db2.gz QZTHOANGPIWTPZ-GOSISDBHSA-N 2 2 383.511 3.127 10 0 GGAELP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000060112846 205179388 /nfs/dbraw/zinc/17/93/88/205179388.db2.gz VVGKYCBVMBKPSW-UHFFFAOYSA-N 2 2 375.476 3.291 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[NH+](CC[C@H]2CCC[N@H+]2C)CCO3)n1 ZINC000067677141 205254725 /nfs/dbraw/zinc/25/47/25/205254725.db2.gz ZXUJUSVIULZSHP-LJQANCHMSA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[NH+](CC[C@H]2CCC[N@@H+]2C)CCO3)n1 ZINC000067677141 205254730 /nfs/dbraw/zinc/25/47/30/205254730.db2.gz ZXUJUSVIULZSHP-LJQANCHMSA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](CC[C@H]2CCC[NH+]2C)CCO3)n1 ZINC000067677141 205254735 /nfs/dbraw/zinc/25/47/35/205254735.db2.gz ZXUJUSVIULZSHP-LJQANCHMSA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](CC[C@H]2CCC[NH+]2C)CCO3)n1 ZINC000067677141 205254737 /nfs/dbraw/zinc/25/47/37/205254737.db2.gz ZXUJUSVIULZSHP-LJQANCHMSA-N 2 2 382.508 3.145 10 0 GGAELP C[C@H](c1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)cc1)[NH+]1CCCC1 ZINC000067834406 205261660 /nfs/dbraw/zinc/26/16/60/205261660.db2.gz MDMFOJAGKIPFQD-GOSISDBHSA-N 2 2 378.520 3.293 10 0 GGAELP Cc1cc2[nH+]cn(Cc3nc(C4CC[NH+](C(C)C)CC4)cc(=O)[nH]3)c2cc1C ZINC000067820131 205262434 /nfs/dbraw/zinc/26/24/34/205262434.db2.gz USKQPKMVFFYCQT-UHFFFAOYSA-N 2 2 379.508 3.373 10 0 GGAELP Cc1ccsc1C[N@H+](C)Cc1cc2n(n1)CCCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000072143009 205311358 /nfs/dbraw/zinc/31/13/58/205311358.db2.gz IWMFOTXJMOYXBH-GOSISDBHSA-N 2 2 387.597 3.090 10 0 GGAELP Cc1ccsc1C[N@@H+](C)Cc1cc2n(n1)CCCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000072143009 205311362 /nfs/dbraw/zinc/31/13/62/205311362.db2.gz IWMFOTXJMOYXBH-GOSISDBHSA-N 2 2 387.597 3.090 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876523 205376137 /nfs/dbraw/zinc/37/61/37/205376137.db2.gz OLVIIGDRYVWUFM-PBHICJAKSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876523 205376142 /nfs/dbraw/zinc/37/61/42/205376142.db2.gz OLVIIGDRYVWUFM-PBHICJAKSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876523 205376146 /nfs/dbraw/zinc/37/61/46/205376146.db2.gz OLVIIGDRYVWUFM-PBHICJAKSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876523 205376151 /nfs/dbraw/zinc/37/61/51/205376151.db2.gz OLVIIGDRYVWUFM-PBHICJAKSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820798 206107391 /nfs/dbraw/zinc/10/73/91/206107391.db2.gz OLVIIGDRYVWUFM-YOEHRIQHSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820798 206107393 /nfs/dbraw/zinc/10/73/93/206107393.db2.gz OLVIIGDRYVWUFM-YOEHRIQHSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820798 206107398 /nfs/dbraw/zinc/10/73/98/206107398.db2.gz OLVIIGDRYVWUFM-YOEHRIQHSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820798 206107401 /nfs/dbraw/zinc/10/74/01/206107401.db2.gz OLVIIGDRYVWUFM-YOEHRIQHSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820789 206108149 /nfs/dbraw/zinc/10/81/49/206108149.db2.gz OLVIIGDRYVWUFM-WMLDXEAASA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820789 206108153 /nfs/dbraw/zinc/10/81/53/206108153.db2.gz OLVIIGDRYVWUFM-WMLDXEAASA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820789 206108156 /nfs/dbraw/zinc/10/81/56/206108156.db2.gz OLVIIGDRYVWUFM-WMLDXEAASA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc(=O)oc2c1 ZINC000229820789 206108159 /nfs/dbraw/zinc/10/81/59/206108159.db2.gz OLVIIGDRYVWUFM-WMLDXEAASA-N 2 2 387.480 3.276 10 0 GGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427202 206147308 /nfs/dbraw/zinc/14/73/08/206147308.db2.gz DORMKVKLVIABCW-WBVHZDCISA-N 2 2 386.471 3.075 10 0 GGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427202 206147314 /nfs/dbraw/zinc/14/73/14/206147314.db2.gz DORMKVKLVIABCW-WBVHZDCISA-N 2 2 386.471 3.075 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000015779521 221344141 /nfs/dbraw/zinc/34/41/41/221344141.db2.gz YTAVRANNWBNZKE-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(Cl)c2)C3)CC1 ZINC000015779521 221344144 /nfs/dbraw/zinc/34/41/44/221344144.db2.gz YTAVRANNWBNZKE-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138699 564255847 /nfs/dbraw/zinc/25/58/47/564255847.db2.gz AVJNMBBBYDLCFF-IUODEOHRSA-N 2 2 378.318 3.054 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138699 564255850 /nfs/dbraw/zinc/25/58/50/564255850.db2.gz AVJNMBBBYDLCFF-IUODEOHRSA-N 2 2 378.318 3.054 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138525 564256027 /nfs/dbraw/zinc/25/60/27/564256027.db2.gz AVJNMBBBYDLCFF-DOMZBBRYSA-N 2 2 378.318 3.054 10 0 GGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H](C)C1 ZINC000119138525 564256030 /nfs/dbraw/zinc/25/60/30/564256030.db2.gz AVJNMBBBYDLCFF-DOMZBBRYSA-N 2 2 378.318 3.054 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420701 564270291 /nfs/dbraw/zinc/27/02/91/564270291.db2.gz BPOIICHZSOFWFZ-SFHVURJKSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420701 564270295 /nfs/dbraw/zinc/27/02/95/564270295.db2.gz BPOIICHZSOFWFZ-SFHVURJKSA-N 2 2 386.367 3.474 10 0 GGAELP Brc1ccc2ncc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812450 564880738 /nfs/dbraw/zinc/88/07/38/564880738.db2.gz SBKDOSSQXWRAOD-CQSZACIVSA-N 2 2 386.297 3.426 10 0 GGAELP Brc1ccc2ncc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812450 564880744 /nfs/dbraw/zinc/88/07/44/564880744.db2.gz SBKDOSSQXWRAOD-CQSZACIVSA-N 2 2 386.297 3.426 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147729 564884995 /nfs/dbraw/zinc/88/49/95/564884995.db2.gz GANAOAUORHXGDW-INIZCTEOSA-N 2 2 376.595 3.474 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147729 564884998 /nfs/dbraw/zinc/88/49/98/564884998.db2.gz GANAOAUORHXGDW-INIZCTEOSA-N 2 2 376.595 3.474 10 0 GGAELP O[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281204 564913692 /nfs/dbraw/zinc/91/36/92/564913692.db2.gz BTENYRKOSHBBTK-PBHICJAKSA-N 2 2 383.330 3.099 10 0 GGAELP O[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323374 564914944 /nfs/dbraw/zinc/91/49/44/564914944.db2.gz QXKBKQZDSBJGBK-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP C[N@H+](Cc1ccc(Br)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128668 564979047 /nfs/dbraw/zinc/97/90/47/564979047.db2.gz KUCZYWNCQDWXPJ-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP C[N@@H+](Cc1ccc(Br)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128668 564979051 /nfs/dbraw/zinc/97/90/51/564979051.db2.gz KUCZYWNCQDWXPJ-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000109789049 565032110 /nfs/dbraw/zinc/03/21/10/565032110.db2.gz MLDCFWBEBDVVMD-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(Cl)s1 ZINC000154535759 565043391 /nfs/dbraw/zinc/04/33/91/565043391.db2.gz OTKYFCGXAJMFCP-JZWPEALZSA-N 2 2 381.973 3.274 10 0 GGAELP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc(Cl)s1 ZINC000154535759 565043394 /nfs/dbraw/zinc/04/33/94/565043394.db2.gz OTKYFCGXAJMFCP-JZWPEALZSA-N 2 2 381.973 3.274 10 0 GGAELP CCC[N@H+](Cc1nnsc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197887 565072650 /nfs/dbraw/zinc/07/26/50/565072650.db2.gz DLSKUVNGSBNGMR-UHFFFAOYSA-N 2 2 380.949 3.479 10 0 GGAELP CCC[N@@H+](Cc1nnsc1Cl)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197887 565072651 /nfs/dbraw/zinc/07/26/51/565072651.db2.gz DLSKUVNGSBNGMR-UHFFFAOYSA-N 2 2 380.949 3.479 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185004054 565170792 /nfs/dbraw/zinc/17/07/92/565170792.db2.gz UVKNYRVDKOCLJF-KRWDZBQOSA-N 2 2 396.304 3.310 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000371847238 565213247 /nfs/dbraw/zinc/21/32/47/565213247.db2.gz SMHYXDXNDDNLPH-KRWDZBQOSA-N 2 2 394.357 3.046 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000371847238 565213253 /nfs/dbraw/zinc/21/32/53/565213253.db2.gz SMHYXDXNDDNLPH-KRWDZBQOSA-N 2 2 394.357 3.046 10 0 GGAELP Brc1ccc([C@@H]([NH2+]CCC[NH+]2CCCC2)c2cncnc2)cc1 ZINC000186089618 565239270 /nfs/dbraw/zinc/23/92/70/565239270.db2.gz BJRVHDYCSVRYGB-GOSISDBHSA-N 2 2 375.314 3.404 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000187078482 565308966 /nfs/dbraw/zinc/30/89/66/565308966.db2.gz FAYKPEFRRJSUET-INIZCTEOSA-N 2 2 381.929 3.303 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000187078482 565308969 /nfs/dbraw/zinc/30/89/69/565308969.db2.gz FAYKPEFRRJSUET-INIZCTEOSA-N 2 2 381.929 3.303 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125815 565311339 /nfs/dbraw/zinc/31/13/39/565311339.db2.gz ORKLMHRUCKREHF-PBHICJAKSA-N 2 2 382.277 3.291 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125815 565311345 /nfs/dbraw/zinc/31/13/45/565311345.db2.gz ORKLMHRUCKREHF-PBHICJAKSA-N 2 2 382.277 3.291 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209401 565325331 /nfs/dbraw/zinc/32/53/31/565325331.db2.gz QFUOLTYFABBUCY-GFCCVEGCSA-N 2 2 377.286 3.379 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209403 565325912 /nfs/dbraw/zinc/32/59/12/565325912.db2.gz QFUOLTYFABBUCY-LBPRGKRZSA-N 2 2 377.286 3.379 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198039 565325946 /nfs/dbraw/zinc/32/59/46/565325946.db2.gz GHXVTVOKCWIPPI-UHFFFAOYSA-N 2 2 377.286 3.299 10 0 GGAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301147158 565467076 /nfs/dbraw/zinc/46/70/76/565467076.db2.gz BEUSJXWKVIZKML-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301147158 565467081 /nfs/dbraw/zinc/46/70/81/565467081.db2.gz BEUSJXWKVIZKML-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799491 565499546 /nfs/dbraw/zinc/49/95/46/565499546.db2.gz VIELJCARBFOHFA-RISCZKNCSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799491 565499550 /nfs/dbraw/zinc/49/95/50/565499550.db2.gz VIELJCARBFOHFA-RISCZKNCSA-N 2 2 377.286 3.036 10 0 GGAELP Cc1nc(N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)cc[nH+]1 ZINC000302135919 565532787 /nfs/dbraw/zinc/53/27/87/565532787.db2.gz BAYXBYURMOEOGB-UHFFFAOYSA-N 2 2 384.281 3.422 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382028645 565541399 /nfs/dbraw/zinc/54/13/99/565541399.db2.gz CHHBDNQGFYAKPB-INIZCTEOSA-N 2 2 377.330 3.184 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382028645 565541402 /nfs/dbraw/zinc/54/14/02/565541402.db2.gz CHHBDNQGFYAKPB-INIZCTEOSA-N 2 2 377.330 3.184 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000383871741 565544577 /nfs/dbraw/zinc/54/45/77/565544577.db2.gz HWZMOENBHDMWKG-LZLYRXPVSA-N 2 2 389.341 3.183 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000383871741 565544580 /nfs/dbraw/zinc/54/45/80/565544580.db2.gz HWZMOENBHDMWKG-LZLYRXPVSA-N 2 2 389.341 3.183 10 0 GGAELP C[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328326 565552031 /nfs/dbraw/zinc/55/20/31/565552031.db2.gz FRCVVLNZYYIFNK-HOCLYGCPSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000278328326 565552036 /nfs/dbraw/zinc/55/20/36/565552036.db2.gz FRCVVLNZYYIFNK-HOCLYGCPSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328319 565552251 /nfs/dbraw/zinc/55/22/51/565552251.db2.gz FRCVVLNZYYIFNK-GOEBONIOSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000278328319 565552254 /nfs/dbraw/zinc/55/22/54/565552254.db2.gz FRCVVLNZYYIFNK-GOEBONIOSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328308 565552316 /nfs/dbraw/zinc/55/23/16/565552316.db2.gz FRCVVLNZYYIFNK-GDBMZVCRSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@@H]1C[C@H]([NH2+]Cc2c(Br)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000278328308 565552319 /nfs/dbraw/zinc/55/23/19/565552319.db2.gz FRCVVLNZYYIFNK-GDBMZVCRSA-N 2 2 377.330 3.325 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139309 565560461 /nfs/dbraw/zinc/56/04/61/565560461.db2.gz QRRXURDPUGLOMA-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139309 565560463 /nfs/dbraw/zinc/56/04/63/565560463.db2.gz QRRXURDPUGLOMA-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580828 565566817 /nfs/dbraw/zinc/56/68/17/565566817.db2.gz YNIRIDSVEWWAQI-PBHICJAKSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580828 565566820 /nfs/dbraw/zinc/56/68/20/565566820.db2.gz YNIRIDSVEWWAQI-PBHICJAKSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710258 565574472 /nfs/dbraw/zinc/57/44/72/565574472.db2.gz KHXCKBVAJKUZAB-GDBMZVCRSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710258 565574474 /nfs/dbraw/zinc/57/44/74/565574474.db2.gz KHXCKBVAJKUZAB-GDBMZVCRSA-N 2 2 377.330 3.183 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128701 565604357 /nfs/dbraw/zinc/60/43/57/565604357.db2.gz FKMVFXNPEMQSTJ-BBRMVZONSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128701 565604361 /nfs/dbraw/zinc/60/43/61/565604361.db2.gz FKMVFXNPEMQSTJ-BBRMVZONSA-N 2 2 381.314 3.184 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293459 565605314 /nfs/dbraw/zinc/60/53/14/565605314.db2.gz KTWUEWFJWCTJJR-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293459 565605321 /nfs/dbraw/zinc/60/53/21/565605321.db2.gz KTWUEWFJWCTJJR-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827369 565606541 /nfs/dbraw/zinc/60/65/41/565606541.db2.gz BQKYAKRTTIIXMK-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827369 565606545 /nfs/dbraw/zinc/60/65/45/565606545.db2.gz BQKYAKRTTIIXMK-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827369 565606551 /nfs/dbraw/zinc/60/65/51/565606551.db2.gz BQKYAKRTTIIXMK-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(Br)c1O ZINC000321827369 565606553 /nfs/dbraw/zinc/60/65/53/565606553.db2.gz BQKYAKRTTIIXMK-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770701 565657562 /nfs/dbraw/zinc/65/75/62/565657562.db2.gz NFIQGSGXGGCEPJ-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770701 565657565 /nfs/dbraw/zinc/65/75/65/565657565.db2.gz NFIQGSGXGGCEPJ-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770701 565657569 /nfs/dbraw/zinc/65/75/69/565657569.db2.gz NFIQGSGXGGCEPJ-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770701 565657571 /nfs/dbraw/zinc/65/75/71/565657571.db2.gz NFIQGSGXGGCEPJ-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP Cn1c2ccc(C[NH2+]CC3([NH+]4CCSCC4)CCCC3)cc2sc1=O ZINC000192472272 565693557 /nfs/dbraw/zinc/69/35/57/565693557.db2.gz BIRSEAPAOACHPW-UHFFFAOYSA-N 2 2 377.579 3.051 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721536 565719098 /nfs/dbraw/zinc/71/90/98/565719098.db2.gz YXNXEDHLVNIHBJ-QAPCUYQASA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721536 565719104 /nfs/dbraw/zinc/71/91/04/565719104.db2.gz YXNXEDHLVNIHBJ-QAPCUYQASA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721536 565719109 /nfs/dbraw/zinc/71/91/09/565719109.db2.gz YXNXEDHLVNIHBJ-QAPCUYQASA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721536 565719116 /nfs/dbraw/zinc/71/91/16/565719116.db2.gz YXNXEDHLVNIHBJ-QAPCUYQASA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721557 565719411 /nfs/dbraw/zinc/71/94/11/565719411.db2.gz YXNXEDHLVNIHBJ-CRAIPNDOSA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721557 565719416 /nfs/dbraw/zinc/71/94/16/565719416.db2.gz YXNXEDHLVNIHBJ-CRAIPNDOSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721557 565719419 /nfs/dbraw/zinc/71/94/19/565719419.db2.gz YXNXEDHLVNIHBJ-CRAIPNDOSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@H](C)C1 ZINC000175721557 565719422 /nfs/dbraw/zinc/71/94/22/565719422.db2.gz YXNXEDHLVNIHBJ-CRAIPNDOSA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729099 565720441 /nfs/dbraw/zinc/72/04/41/565720441.db2.gz VZCAKALRVKXAJY-NEPJUHHUSA-N 2 2 383.290 3.254 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729099 565720446 /nfs/dbraw/zinc/72/04/46/565720446.db2.gz VZCAKALRVKXAJY-NEPJUHHUSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729099 565720449 /nfs/dbraw/zinc/72/04/49/565720449.db2.gz VZCAKALRVKXAJY-NEPJUHHUSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729099 565720454 /nfs/dbraw/zinc/72/04/54/565720454.db2.gz VZCAKALRVKXAJY-NEPJUHHUSA-N 2 2 383.290 3.254 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193637115 565766868 /nfs/dbraw/zinc/76/68/68/565766868.db2.gz YYFGPAYRICAWPS-UTUOFQBUSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193637115 565766875 /nfs/dbraw/zinc/76/68/75/565766875.db2.gz YYFGPAYRICAWPS-UTUOFQBUSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193637115 565766880 /nfs/dbraw/zinc/76/68/80/565766880.db2.gz YYFGPAYRICAWPS-UTUOFQBUSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193637115 565766884 /nfs/dbraw/zinc/76/68/84/565766884.db2.gz YYFGPAYRICAWPS-UTUOFQBUSA-N 2 2 375.822 3.179 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287340 565911109 /nfs/dbraw/zinc/91/11/09/565911109.db2.gz IJWNXNVKCGGLCF-HNNXBMFYSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287340 565911112 /nfs/dbraw/zinc/91/11/12/565911112.db2.gz IJWNXNVKCGGLCF-HNNXBMFYSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Br ZINC000178328407 565912285 /nfs/dbraw/zinc/91/22/85/565912285.db2.gz GNOPACSRLRFKOW-DZGCQCFKSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Br ZINC000178328407 565912287 /nfs/dbraw/zinc/91/22/87/565912287.db2.gz GNOPACSRLRFKOW-DZGCQCFKSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000178751830 565936380 /nfs/dbraw/zinc/93/63/80/565936380.db2.gz RTQMGZXMUXSNJT-OAHLLOKOSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000178751830 565936384 /nfs/dbraw/zinc/93/63/84/565936384.db2.gz RTQMGZXMUXSNJT-OAHLLOKOSA-N 2 2 391.313 3.366 10 0 GGAELP COc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)cc(Br)c1O ZINC000237167263 565952566 /nfs/dbraw/zinc/95/25/66/565952566.db2.gz ZALCYWZMBKMMNN-UHFFFAOYSA-N 2 2 379.298 3.385 10 0 GGAELP COc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)cc(Br)c1O ZINC000237167263 565952572 /nfs/dbraw/zinc/95/25/72/565952572.db2.gz ZALCYWZMBKMMNN-UHFFFAOYSA-N 2 2 379.298 3.385 10 0 GGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414744958 565957443 /nfs/dbraw/zinc/95/74/43/565957443.db2.gz KBEHTJFFZIHAGU-MRXNPFEDSA-N 2 2 382.346 3.473 10 0 GGAELP [NH3+][C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000414825973 565962210 /nfs/dbraw/zinc/96/22/10/565962210.db2.gz DKUNQCAWAKFMSN-GOSISDBHSA-N 2 2 390.325 3.075 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059497 565971435 /nfs/dbraw/zinc/97/14/35/565971435.db2.gz XAPQYEFLDRACBY-CJNGLKHVSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059497 565971438 /nfs/dbraw/zinc/97/14/38/565971438.db2.gz XAPQYEFLDRACBY-CJNGLKHVSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059499 565972053 /nfs/dbraw/zinc/97/20/53/565972053.db2.gz XAPQYEFLDRACBY-CZUORRHYSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415059499 565972054 /nfs/dbraw/zinc/97/20/54/565972054.db2.gz XAPQYEFLDRACBY-CZUORRHYSA-N 2 2 383.330 3.430 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050950 565972072 /nfs/dbraw/zinc/97/20/72/565972072.db2.gz FBILNSAQLWGCOH-RDTXWAMCSA-N 2 2 385.346 3.281 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050950 565972074 /nfs/dbraw/zinc/97/20/74/565972074.db2.gz FBILNSAQLWGCOH-RDTXWAMCSA-N 2 2 385.346 3.281 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437401 565990532 /nfs/dbraw/zinc/99/05/32/565990532.db2.gz RMVFVLCDBXLXOJ-BLLLJJGKSA-N 2 2 386.309 3.189 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437401 565990534 /nfs/dbraw/zinc/99/05/34/565990534.db2.gz RMVFVLCDBXLXOJ-BLLLJJGKSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437401 565990537 /nfs/dbraw/zinc/99/05/37/565990537.db2.gz RMVFVLCDBXLXOJ-BLLLJJGKSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437401 565990538 /nfs/dbraw/zinc/99/05/38/565990538.db2.gz RMVFVLCDBXLXOJ-BLLLJJGKSA-N 2 2 386.309 3.189 10 0 GGAELP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1n1cc[nH+]c1 ZINC000245696994 566001833 /nfs/dbraw/zinc/00/18/33/566001833.db2.gz RAXZHWARCTUUAY-VXGBXAGGSA-N 2 2 392.257 3.372 10 0 GGAELP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1n1cc[nH+]c1 ZINC000245696994 566001838 /nfs/dbraw/zinc/00/18/38/566001838.db2.gz RAXZHWARCTUUAY-VXGBXAGGSA-N 2 2 392.257 3.372 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000180124622 566035514 /nfs/dbraw/zinc/03/55/14/566035514.db2.gz ZDZRXOPCHSKHTI-OAHLLOKOSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000180124622 566035518 /nfs/dbraw/zinc/03/55/18/566035518.db2.gz ZDZRXOPCHSKHTI-OAHLLOKOSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137737 566053528 /nfs/dbraw/zinc/05/35/28/566053528.db2.gz SSWARQJNBDKYHL-JKSUJKDBSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137737 566053532 /nfs/dbraw/zinc/05/35/32/566053532.db2.gz SSWARQJNBDKYHL-JKSUJKDBSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150740 566053771 /nfs/dbraw/zinc/05/37/71/566053771.db2.gz UGSXXXSYJITOEJ-LSDHHAIUSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150740 566053776 /nfs/dbraw/zinc/05/37/76/566053776.db2.gz UGSXXXSYJITOEJ-LSDHHAIUSA-N 2 2 384.307 3.403 10 0 GGAELP Brc1ccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000180451303 566062872 /nfs/dbraw/zinc/06/28/72/566062872.db2.gz SUOOUTHVMSLYMR-UHFFFAOYSA-N 2 2 390.325 3.477 10 0 GGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970486 566069997 /nfs/dbraw/zinc/06/99/97/566069997.db2.gz HGNBHXMGGAGPOE-CZUORRHYSA-N 2 2 391.313 3.415 10 0 GGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970486 566070000 /nfs/dbraw/zinc/07/00/00/566070000.db2.gz HGNBHXMGGAGPOE-CZUORRHYSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970486 566070004 /nfs/dbraw/zinc/07/00/04/566070004.db2.gz HGNBHXMGGAGPOE-CZUORRHYSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970486 566070008 /nfs/dbraw/zinc/07/00/08/566070008.db2.gz HGNBHXMGGAGPOE-CZUORRHYSA-N 2 2 391.313 3.415 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248571116 566080838 /nfs/dbraw/zinc/08/08/38/566080838.db2.gz RAEVKBDXWMMJKN-KBXCAEBGSA-N 2 2 375.314 3.260 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248571116 566080841 /nfs/dbraw/zinc/08/08/41/566080841.db2.gz RAEVKBDXWMMJKN-KBXCAEBGSA-N 2 2 375.314 3.260 10 0 GGAELP C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709274 566130141 /nfs/dbraw/zinc/13/01/41/566130141.db2.gz DIRJNDSGQOQNTP-QFBILLFUSA-N 2 2 397.357 3.438 10 0 GGAELP C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709274 566130148 /nfs/dbraw/zinc/13/01/48/566130148.db2.gz DIRJNDSGQOQNTP-QFBILLFUSA-N 2 2 397.357 3.438 10 0 GGAELP Clc1cnc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000181340495 566133604 /nfs/dbraw/zinc/13/36/04/566133604.db2.gz YTKQVQGYLJNYAE-UHFFFAOYSA-N 2 2 381.307 3.416 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181861430 566169150 /nfs/dbraw/zinc/16/91/50/566169150.db2.gz WDNZFTRCPRMZRV-LJQANCHMSA-N 2 2 394.401 3.484 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181861430 566169154 /nfs/dbraw/zinc/16/91/54/566169154.db2.gz WDNZFTRCPRMZRV-LJQANCHMSA-N 2 2 394.401 3.484 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290920266 566196158 /nfs/dbraw/zinc/19/61/58/566196158.db2.gz QLOOWPAKEGFURK-SNVBAGLBSA-N 2 2 377.124 3.038 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290920266 566196163 /nfs/dbraw/zinc/19/61/63/566196163.db2.gz QLOOWPAKEGFURK-SNVBAGLBSA-N 2 2 377.124 3.038 10 0 GGAELP COc1cc(Br)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368075164 566229454 /nfs/dbraw/zinc/22/94/54/566229454.db2.gz KTYUGLIHNGTVQQ-SOLBZPMBSA-N 2 2 383.330 3.141 10 0 GGAELP COc1cc(Br)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368075164 566229459 /nfs/dbraw/zinc/22/94/59/566229459.db2.gz KTYUGLIHNGTVQQ-SOLBZPMBSA-N 2 2 383.330 3.141 10 0 GGAELP O[C@H]1CC[N@@H+](C2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)C1 ZINC000668741546 566262013 /nfs/dbraw/zinc/26/20/13/566262013.db2.gz UFGRHEOMUNWKSW-KRWDZBQOSA-N 2 2 383.319 3.300 10 0 GGAELP O[C@H]1CC[N@H+](C2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)C1 ZINC000668741546 566262019 /nfs/dbraw/zinc/26/20/19/566262019.db2.gz UFGRHEOMUNWKSW-KRWDZBQOSA-N 2 2 383.319 3.300 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393571 566275650 /nfs/dbraw/zinc/27/56/50/566275650.db2.gz JYMGSCVOZGYWHB-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420393571 566275654 /nfs/dbraw/zinc/27/56/54/566275654.db2.gz JYMGSCVOZGYWHB-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000482045262 566279425 /nfs/dbraw/zinc/27/94/25/566279425.db2.gz HPJJQZPTEJJKQK-OLZOCXBDSA-N 2 2 388.375 3.104 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000482045262 566279432 /nfs/dbraw/zinc/27/94/32/566279432.db2.gz HPJJQZPTEJJKQK-OLZOCXBDSA-N 2 2 388.375 3.104 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000482241771 566295731 /nfs/dbraw/zinc/29/57/31/566295731.db2.gz JFVGFAURTGPOAA-KBPBESRZSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000482241771 566295734 /nfs/dbraw/zinc/29/57/34/566295734.db2.gz JFVGFAURTGPOAA-KBPBESRZSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000482240435 566296750 /nfs/dbraw/zinc/29/67/50/566296750.db2.gz GFPGHYXHMZYWRC-BBRMVZONSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000482240435 566296752 /nfs/dbraw/zinc/29/67/52/566296752.db2.gz GFPGHYXHMZYWRC-BBRMVZONSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482256617 566298390 /nfs/dbraw/zinc/29/83/90/566298390.db2.gz MWEWWGRMZRSODU-RHSMWYFYSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482256617 566298396 /nfs/dbraw/zinc/29/83/96/566298396.db2.gz MWEWWGRMZRSODU-RHSMWYFYSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000482256619 566298469 /nfs/dbraw/zinc/29/84/69/566298469.db2.gz MWEWWGRMZRSODU-YOEHRIQHSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000482256619 566298476 /nfs/dbraw/zinc/29/84/76/566298476.db2.gz MWEWWGRMZRSODU-YOEHRIQHSA-N 2 2 383.330 3.363 10 0 GGAELP CN(C(=O)c1csc(C(F)(F)F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502683 566330007 /nfs/dbraw/zinc/33/00/07/566330007.db2.gz CWFOUWRXPNDQRD-AWEZNQCLSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1csc(C(F)(F)F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502683 566330016 /nfs/dbraw/zinc/33/00/16/566330016.db2.gz CWFOUWRXPNDQRD-AWEZNQCLSA-N 2 2 375.460 3.007 10 0 GGAELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1Br ZINC000482883718 566341633 /nfs/dbraw/zinc/34/16/33/566341633.db2.gz DYVLZCQQUWGCJH-CQSZACIVSA-N 2 2 382.346 3.042 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000556939071 566348446 /nfs/dbraw/zinc/34/84/46/566348446.db2.gz APFVLESPGNQICG-ZANVPECISA-N 2 2 392.135 3.308 10 0 GGAELP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2Br)CC1 ZINC000483210045 566363956 /nfs/dbraw/zinc/36/39/56/566363956.db2.gz LAZWGZNQJUOSDZ-UHFFFAOYSA-N 2 2 392.297 3.054 10 0 GGAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)CC2 ZINC000626615209 566429463 /nfs/dbraw/zinc/42/94/63/566429463.db2.gz WHOAYNBIYXSTRM-CYBMUJFWSA-N 2 2 391.313 3.217 10 0 GGAELP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000422642352 566461167 /nfs/dbraw/zinc/46/11/67/566461167.db2.gz ZINJIDPJZRIGJQ-KRWDZBQOSA-N 2 2 382.335 3.485 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422871591 566463412 /nfs/dbraw/zinc/46/34/12/566463412.db2.gz DEAKSGRXOZLQKJ-ZLDLUXBVSA-N 2 2 376.854 3.453 10 0 GGAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000422952273 566466880 /nfs/dbraw/zinc/46/68/80/566466880.db2.gz BZZVCIYCYCMQPM-DQYPLSBCSA-N 2 2 385.371 3.286 10 0 GGAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000577886278 566472187 /nfs/dbraw/zinc/47/21/87/566472187.db2.gz GHSCDACRVPMWLY-UHFFFAOYSA-N 2 2 384.293 3.120 10 0 GGAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000577886278 566472196 /nfs/dbraw/zinc/47/21/96/566472196.db2.gz GHSCDACRVPMWLY-UHFFFAOYSA-N 2 2 384.293 3.120 10 0 GGAELP Fc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Br ZINC000423093483 566475573 /nfs/dbraw/zinc/47/55/73/566475573.db2.gz HRWGFDAGGITRLA-DTTOXWODSA-N 2 2 383.305 3.191 10 0 GGAELP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236522 566483880 /nfs/dbraw/zinc/48/38/80/566483880.db2.gz HLPFGAHIIHRNQG-KBXCAEBGSA-N 2 2 392.341 3.412 10 0 GGAELP Fc1ccc2c(c1Br)CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242092 566484794 /nfs/dbraw/zinc/48/47/94/566484794.db2.gz YKNZPFRQZWWDLC-INIZCTEOSA-N 2 2 391.288 3.492 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)sc3Cl)CC2)CC1 ZINC000449022923 566522127 /nfs/dbraw/zinc/52/21/27/566522127.db2.gz LUTNRJWSVHHTHV-UHFFFAOYSA-N 2 2 390.380 3.431 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801732 566527882 /nfs/dbraw/zinc/52/78/82/566527882.db2.gz YMABDFLDJHYKBF-XJKSGUPXSA-N 2 2 379.346 3.498 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801732 566527887 /nfs/dbraw/zinc/52/78/87/566527887.db2.gz YMABDFLDJHYKBF-XJKSGUPXSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801732 566527893 /nfs/dbraw/zinc/52/78/93/566527893.db2.gz YMABDFLDJHYKBF-XJKSGUPXSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801732 566527900 /nfs/dbraw/zinc/52/79/00/566527900.db2.gz YMABDFLDJHYKBF-XJKSGUPXSA-N 2 2 379.346 3.498 10 0 GGAELP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1c(Cl)cccc1Cl ZINC000578740573 566550110 /nfs/dbraw/zinc/55/01/10/566550110.db2.gz NGHLGEPQYGVHHP-CQSZACIVSA-N 2 2 380.275 3.213 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393735 566555854 /nfs/dbraw/zinc/55/58/54/566555854.db2.gz CWHVAXZLWBCYSH-BCLQGDPASA-N 2 2 385.321 3.271 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393735 566555864 /nfs/dbraw/zinc/55/58/64/566555864.db2.gz CWHVAXZLWBCYSH-BCLQGDPASA-N 2 2 385.321 3.271 10 0 GGAELP COC(=O)C[C@](C)([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000513133728 566582613 /nfs/dbraw/zinc/58/26/13/566582613.db2.gz NJRUBIZSLDEXNL-KRWDZBQOSA-N 2 2 380.286 3.104 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322020 566585660 /nfs/dbraw/zinc/58/56/60/566585660.db2.gz GZONTFRWMOQURC-HNNXBMFYSA-N 2 2 377.286 3.230 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674322020 566585664 /nfs/dbraw/zinc/58/56/64/566585664.db2.gz GZONTFRWMOQURC-HNNXBMFYSA-N 2 2 377.286 3.230 10 0 GGAELP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000628969152 566600801 /nfs/dbraw/zinc/60/08/01/566600801.db2.gz OJTNCJSGYRLUOV-WBMJQRKESA-N 2 2 390.380 3.150 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000486954014 566637400 /nfs/dbraw/zinc/63/74/00/566637400.db2.gz HLKVCDPGXLTURL-UHFFFAOYSA-N 2 2 377.330 3.458 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000514076937 566641789 /nfs/dbraw/zinc/64/17/89/566641789.db2.gz HXKFCNJPGWBJSL-LBPRGKRZSA-N 2 2 378.270 3.338 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000514076937 566641795 /nfs/dbraw/zinc/64/17/95/566641795.db2.gz HXKFCNJPGWBJSL-LBPRGKRZSA-N 2 2 378.270 3.338 10 0 GGAELP COc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc(Br)c1OC(F)F ZINC000629385164 566652273 /nfs/dbraw/zinc/65/22/73/566652273.db2.gz QPXHWPHHRDMDEP-CYBMUJFWSA-N 2 2 391.256 3.433 10 0 GGAELP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCc1cccc(Cl)c1Cl ZINC000675620495 566655760 /nfs/dbraw/zinc/65/57/60/566655760.db2.gz CNDAEPXILIQFLQ-HNNXBMFYSA-N 2 2 381.307 3.186 10 0 GGAELP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCCc1cccc(Cl)c1Cl ZINC000675620495 566655765 /nfs/dbraw/zinc/65/57/65/566655765.db2.gz CNDAEPXILIQFLQ-HNNXBMFYSA-N 2 2 381.307 3.186 10 0 GGAELP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487267526 566660298 /nfs/dbraw/zinc/66/02/98/566660298.db2.gz DUCOFXXAYITNIE-CQSZACIVSA-N 2 2 377.330 3.498 10 0 GGAELP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487267116 566660800 /nfs/dbraw/zinc/66/08/00/566660800.db2.gz DUCOFXXAYITNIE-AWEZNQCLSA-N 2 2 377.330 3.498 10 0 GGAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629524352 566663919 /nfs/dbraw/zinc/66/39/19/566663919.db2.gz PEGVDPZWIFNJSW-IRXDYDNUSA-N 2 2 376.298 3.436 10 0 GGAELP Fc1c(Br)ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000629591556 566669187 /nfs/dbraw/zinc/66/91/87/566669187.db2.gz JGNMPTMHDLXLEI-CQSZACIVSA-N 2 2 389.284 3.318 10 0 GGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000629654961 566676651 /nfs/dbraw/zinc/67/66/51/566676651.db2.gz UTGFNKRNARHHQW-ZWKOTPCHSA-N 2 2 377.330 3.482 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1Br ZINC000580329737 566684623 /nfs/dbraw/zinc/68/46/23/566684623.db2.gz LECHJDHVRLZHBN-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000488583676 566736702 /nfs/dbraw/zinc/73/67/02/566736702.db2.gz CUIFJKWFPBCJLC-QGZVFWFLSA-N 2 2 382.346 3.029 10 0 GGAELP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000515885229 566737286 /nfs/dbraw/zinc/73/72/86/566737286.db2.gz LTHHXOBWGMCAGG-UHFFFAOYSA-N 2 2 394.357 3.014 10 0 GGAELP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1Br ZINC000515885229 566737292 /nfs/dbraw/zinc/73/72/92/566737292.db2.gz LTHHXOBWGMCAGG-UHFFFAOYSA-N 2 2 394.357 3.014 10 0 GGAELP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c2ccsc2S1 ZINC000542156985 566778436 /nfs/dbraw/zinc/77/84/36/566778436.db2.gz IZPADBVYRHOWPW-NWANDNLSSA-N 2 2 376.551 3.188 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208056 566790941 /nfs/dbraw/zinc/79/09/41/566790941.db2.gz XXMBHGXIAFWYCH-INIZCTEOSA-N 2 2 389.341 3.469 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208056 566790945 /nfs/dbraw/zinc/79/09/45/566790945.db2.gz XXMBHGXIAFWYCH-INIZCTEOSA-N 2 2 389.341 3.469 10 0 GGAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000517037868 566802972 /nfs/dbraw/zinc/80/29/72/566802972.db2.gz VCFYVRITVQZRCW-GDBMZVCRSA-N 2 2 377.838 3.103 10 0 GGAELP CC(C)[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000517037868 566802976 /nfs/dbraw/zinc/80/29/76/566802976.db2.gz VCFYVRITVQZRCW-GDBMZVCRSA-N 2 2 377.838 3.103 10 0 GGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711135 566837966 /nfs/dbraw/zinc/83/79/66/566837966.db2.gz HCODPUQWYBXNIB-DYVFJYSZSA-N 2 2 385.321 3.362 10 0 GGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711136 566838228 /nfs/dbraw/zinc/83/82/28/566838228.db2.gz HCODPUQWYBXNIB-GUYCJALGSA-N 2 2 385.321 3.362 10 0 GGAELP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959596 566838982 /nfs/dbraw/zinc/83/89/82/566838982.db2.gz YSAPPUSWYMYGKX-OWCLPIDISA-N 2 2 390.329 3.245 10 0 GGAELP C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235389 566842512 /nfs/dbraw/zinc/84/25/12/566842512.db2.gz CHCAZGJYGOHDJD-QITLCBANSA-N 2 2 389.297 3.146 10 0 GGAELP C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235391 566842935 /nfs/dbraw/zinc/84/29/35/566842935.db2.gz CHCAZGJYGOHDJD-XLWVJDPXSA-N 2 2 389.297 3.146 10 0 GGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757749 566844686 /nfs/dbraw/zinc/84/46/86/566844686.db2.gz KQIXVLNLYPWJCQ-BBRMVZONSA-N 2 2 383.330 3.362 10 0 GGAELP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757752 566844934 /nfs/dbraw/zinc/84/49/34/566844934.db2.gz KQIXVLNLYPWJCQ-XJKSGUPXSA-N 2 2 383.330 3.362 10 0 GGAELP C[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490652070 566873418 /nfs/dbraw/zinc/87/34/18/566873418.db2.gz QICQTFNTNUJCPO-CRAIPNDOSA-N 2 2 386.367 3.330 10 0 GGAELP C[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490652070 566873423 /nfs/dbraw/zinc/87/34/23/566873423.db2.gz QICQTFNTNUJCPO-CRAIPNDOSA-N 2 2 386.367 3.330 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005704 566899377 /nfs/dbraw/zinc/89/93/77/566899377.db2.gz SFAYJCKHCSRJEI-KDOFPFPSSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005704 566899381 /nfs/dbraw/zinc/89/93/81/566899381.db2.gz SFAYJCKHCSRJEI-KDOFPFPSSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005704 566899388 /nfs/dbraw/zinc/89/93/88/566899388.db2.gz SFAYJCKHCSRJEI-KDOFPFPSSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000429005704 566899392 /nfs/dbraw/zinc/89/93/92/566899392.db2.gz SFAYJCKHCSRJEI-KDOFPFPSSA-N 2 2 380.330 3.112 10 0 GGAELP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041396 566904971 /nfs/dbraw/zinc/90/49/71/566904971.db2.gz OZFDBHDJOLVJFR-IBGZPJMESA-N 2 2 387.325 3.434 10 0 GGAELP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041396 566904977 /nfs/dbraw/zinc/90/49/77/566904977.db2.gz OZFDBHDJOLVJFR-IBGZPJMESA-N 2 2 387.325 3.434 10 0 GGAELP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041396 566904982 /nfs/dbraw/zinc/90/49/82/566904982.db2.gz OZFDBHDJOLVJFR-IBGZPJMESA-N 2 2 387.325 3.434 10 0 GGAELP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041396 566904985 /nfs/dbraw/zinc/90/49/85/566904985.db2.gz OZFDBHDJOLVJFR-IBGZPJMESA-N 2 2 387.325 3.434 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@H]21 ZINC000563691015 566909262 /nfs/dbraw/zinc/90/92/62/566909262.db2.gz CNBQUYDNELYQAL-HRCADAONSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@H]21 ZINC000563691015 566909273 /nfs/dbraw/zinc/90/92/73/566909273.db2.gz CNBQUYDNELYQAL-HRCADAONSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]2CCC[C@H]21 ZINC000563691015 566909275 /nfs/dbraw/zinc/90/92/75/566909275.db2.gz CNBQUYDNELYQAL-HRCADAONSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]2CCC[C@H]21 ZINC000563691015 566909281 /nfs/dbraw/zinc/90/92/81/566909281.db2.gz CNBQUYDNELYQAL-HRCADAONSA-N 2 2 390.329 3.197 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000656716257 566937129 /nfs/dbraw/zinc/93/71/29/566937129.db2.gz UHIQJNUTDASVLH-OAHLLOKOSA-N 2 2 383.355 3.402 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000656716257 566937137 /nfs/dbraw/zinc/93/71/37/566937137.db2.gz UHIQJNUTDASVLH-OAHLLOKOSA-N 2 2 383.355 3.402 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210850 566955340 /nfs/dbraw/zinc/95/53/40/566955340.db2.gz JXXKDRLBAULRQF-WMZOPIPTSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210850 566955343 /nfs/dbraw/zinc/95/53/43/566955343.db2.gz JXXKDRLBAULRQF-WMZOPIPTSA-N 2 2 391.357 3.355 10 0 GGAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962078 566998947 /nfs/dbraw/zinc/99/89/47/566998947.db2.gz CWNSIQQPYKJOEX-CXAGYDPISA-N 2 2 380.323 3.490 10 0 GGAELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962078 566998955 /nfs/dbraw/zinc/99/89/55/566998955.db2.gz CWNSIQQPYKJOEX-CXAGYDPISA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962078 566998965 /nfs/dbraw/zinc/99/89/65/566998965.db2.gz CWNSIQQPYKJOEX-CXAGYDPISA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962078 566998973 /nfs/dbraw/zinc/99/89/73/566998973.db2.gz CWNSIQQPYKJOEX-CXAGYDPISA-N 2 2 380.323 3.490 10 0 GGAELP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962079 566999504 /nfs/dbraw/zinc/99/95/04/566999504.db2.gz CWNSIQQPYKJOEX-DYVFJYSZSA-N 2 2 380.323 3.490 10 0 GGAELP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962079 566999512 /nfs/dbraw/zinc/99/95/12/566999512.db2.gz CWNSIQQPYKJOEX-DYVFJYSZSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962079 566999517 /nfs/dbraw/zinc/99/95/17/566999517.db2.gz CWNSIQQPYKJOEX-DYVFJYSZSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962079 566999523 /nfs/dbraw/zinc/99/95/23/566999523.db2.gz CWNSIQQPYKJOEX-DYVFJYSZSA-N 2 2 380.323 3.490 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000520424716 567005071 /nfs/dbraw/zinc/00/50/71/567005071.db2.gz BIBPTQVAVMRYAS-AWEZNQCLSA-N 2 2 384.351 3.416 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000520424716 567005076 /nfs/dbraw/zinc/00/50/76/567005076.db2.gz BIBPTQVAVMRYAS-AWEZNQCLSA-N 2 2 384.351 3.416 10 0 GGAELP Fc1cncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000657292889 567045295 /nfs/dbraw/zinc/04/52/95/567045295.db2.gz FKPXBCIGQNDOBN-UHFFFAOYSA-N 2 2 394.288 3.105 10 0 GGAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3c(F)cncc3Br)[nH+]c2)C1 ZINC000657412982 567054270 /nfs/dbraw/zinc/05/42/70/567054270.db2.gz FPYKFTQFUMEMFF-ZDUSSCGKSA-N 2 2 394.292 3.131 10 0 GGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2c(F)cncc2Br)[C@H](c2ccccc2)C1 ZINC000657500710 567063159 /nfs/dbraw/zinc/06/31/59/567063159.db2.gz QZEWPDRYTHECRK-ZBFHGGJFSA-N 2 2 378.289 3.418 10 0 GGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2c(F)cncc2Br)[C@H](c2ccccc2)C1 ZINC000657500710 567063168 /nfs/dbraw/zinc/06/31/68/567063168.db2.gz QZEWPDRYTHECRK-ZBFHGGJFSA-N 2 2 378.289 3.418 10 0 GGAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527640 567065657 /nfs/dbraw/zinc/06/56/57/567065657.db2.gz WYQNAEMLVDBUJO-KRWDZBQOSA-N 2 2 396.373 3.248 10 0 GGAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527640 567065665 /nfs/dbraw/zinc/06/56/65/567065665.db2.gz WYQNAEMLVDBUJO-KRWDZBQOSA-N 2 2 396.373 3.248 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248051 567067690 /nfs/dbraw/zinc/06/76/90/567067690.db2.gz ISDJSWCRGPRECL-KOLCDFICSA-N 2 2 385.224 3.362 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453248051 567067697 /nfs/dbraw/zinc/06/76/97/567067697.db2.gz ISDJSWCRGPRECL-KOLCDFICSA-N 2 2 385.224 3.362 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267749 567069228 /nfs/dbraw/zinc/06/92/28/567069228.db2.gz PQOPGQGLUMCLQM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267749 567069231 /nfs/dbraw/zinc/06/92/31/567069231.db2.gz PQOPGQGLUMCLQM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266982 567069748 /nfs/dbraw/zinc/06/97/48/567069748.db2.gz OVHCDUNOUIZAEM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266982 567069753 /nfs/dbraw/zinc/06/97/53/567069753.db2.gz OVHCDUNOUIZAEM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255298 567069832 /nfs/dbraw/zinc/06/98/32/567069832.db2.gz FKFKNHGAFYJRJT-YOEHRIQHSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255298 567069834 /nfs/dbraw/zinc/06/98/34/567069834.db2.gz FKFKNHGAFYJRJT-YOEHRIQHSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255294 567069853 /nfs/dbraw/zinc/06/98/53/567069853.db2.gz FKFKNHGAFYJRJT-WMLDXEAASA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255294 567069855 /nfs/dbraw/zinc/06/98/55/567069855.db2.gz FKFKNHGAFYJRJT-WMLDXEAASA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266986 567069992 /nfs/dbraw/zinc/06/99/92/567069992.db2.gz OVHCDUNOUIZAEM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453266986 567069995 /nfs/dbraw/zinc/06/99/95/567069995.db2.gz OVHCDUNOUIZAEM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270780 567071406 /nfs/dbraw/zinc/07/14/06/567071406.db2.gz SPEVSIAIPCVHHM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270780 567071409 /nfs/dbraw/zinc/07/14/09/567071409.db2.gz SPEVSIAIPCVHHM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267753 567071552 /nfs/dbraw/zinc/07/15/52/567071552.db2.gz PQOPGQGLUMCLQM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267753 567071557 /nfs/dbraw/zinc/07/15/57/567071557.db2.gz PQOPGQGLUMCLQM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1Br ZINC000682898314 567081479 /nfs/dbraw/zinc/08/14/79/567081479.db2.gz AABUTOKTUDEJIR-UHFFFAOYSA-N 2 2 396.373 3.164 10 0 GGAELP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1Br ZINC000682898314 567081486 /nfs/dbraw/zinc/08/14/86/567081486.db2.gz AABUTOKTUDEJIR-UHFFFAOYSA-N 2 2 396.373 3.164 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000545912720 567086905 /nfs/dbraw/zinc/08/69/05/567086905.db2.gz ICSWXSTYIWOOEZ-HNNXBMFYSA-N 2 2 397.357 3.387 10 0 GGAELP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061469 567118447 /nfs/dbraw/zinc/11/84/47/567118447.db2.gz OKKBJUBVTZDMEM-GDBMZVCRSA-N 2 2 387.977 3.162 10 0 GGAELP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061475 567119370 /nfs/dbraw/zinc/11/93/70/567119370.db2.gz OKKBJUBVTZDMEM-ZBFHGGJFSA-N 2 2 387.977 3.162 10 0 GGAELP C[NH+]1CCN([C@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000566598625 567171354 /nfs/dbraw/zinc/17/13/54/567171354.db2.gz DZGWXLCAAIUENW-GFCCVEGCSA-N 2 2 390.500 3.302 10 0 GGAELP C[NH+]1CCN([C@@H](C[NH2+]Cc2ncc(C(F)(F)F)s2)c2cccs2)CC1 ZINC000566598626 567171592 /nfs/dbraw/zinc/17/15/92/567171592.db2.gz DZGWXLCAAIUENW-LBPRGKRZSA-N 2 2 390.500 3.302 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595831 567181406 /nfs/dbraw/zinc/18/14/06/567181406.db2.gz DTKHGCTWMOVIRY-QKPAOTATSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595831 567181412 /nfs/dbraw/zinc/18/14/12/567181412.db2.gz DTKHGCTWMOVIRY-QKPAOTATSA-N 2 2 383.989 3.426 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(Cl)c3Cl)CC2)CC1 ZINC000432742400 567184665 /nfs/dbraw/zinc/18/46/65/567184665.db2.gz NQPRIYVCJVFYHH-UHFFFAOYSA-N 2 2 390.380 3.431 10 0 GGAELP Brc1cccc2c(N3CC[N@@H+]4CCOC[C@@H]4C3)cc(C3CC3)[nH+]c12 ZINC000432837789 567195895 /nfs/dbraw/zinc/19/58/95/567195895.db2.gz WFLZPMCNJKBRHS-AWEZNQCLSA-N 2 2 388.309 3.396 10 0 GGAELP Brc1cccc2c(N3CC[N@H+]4CCOC[C@@H]4C3)cc(C3CC3)[nH+]c12 ZINC000432837789 567195901 /nfs/dbraw/zinc/19/59/01/567195901.db2.gz WFLZPMCNJKBRHS-AWEZNQCLSA-N 2 2 388.309 3.396 10 0 GGAELP C[N@@H+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C2(CCCCC2)C1 ZINC000659283624 567200779 /nfs/dbraw/zinc/20/07/79/567200779.db2.gz ABRUEEUVWWHUPI-UHFFFAOYSA-N 2 2 398.370 3.204 10 0 GGAELP C[N@H+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C2(CCCCC2)C1 ZINC000659283624 567200787 /nfs/dbraw/zinc/20/07/87/567200787.db2.gz ABRUEEUVWWHUPI-UHFFFAOYSA-N 2 2 398.370 3.204 10 0 GGAELP OCC[N@@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433019543 567217468 /nfs/dbraw/zinc/21/74/68/567217468.db2.gz OASHQVJTZFEWQS-UHFFFAOYSA-N 2 2 390.325 3.379 10 0 GGAELP OCC[N@H+]1CCCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433019543 567217470 /nfs/dbraw/zinc/21/74/70/567217470.db2.gz OASHQVJTZFEWQS-UHFFFAOYSA-N 2 2 390.325 3.379 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659980720 567244070 /nfs/dbraw/zinc/24/40/70/567244070.db2.gz YPHUAZDOIZNZBG-AWEZNQCLSA-N 2 2 390.753 3.430 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659980720 567244072 /nfs/dbraw/zinc/24/40/72/567244072.db2.gz YPHUAZDOIZNZBG-AWEZNQCLSA-N 2 2 390.753 3.430 10 0 GGAELP Brc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc2c1OCCO2 ZINC000475551159 567256250 /nfs/dbraw/zinc/25/62/50/567256250.db2.gz JRXAOGIHDWFUJY-UHFFFAOYSA-N 2 2 381.314 3.327 10 0 GGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000475624275 567262821 /nfs/dbraw/zinc/26/28/21/567262821.db2.gz JDKGLBYEQNYKJN-UHFFFAOYSA-N 2 2 380.261 3.314 10 0 GGAELP COc1cc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126320 567264676 /nfs/dbraw/zinc/26/46/76/567264676.db2.gz WEACJYPNZOHGKS-CYBMUJFWSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126320 567264683 /nfs/dbraw/zinc/26/46/83/567264683.db2.gz WEACJYPNZOHGKS-CYBMUJFWSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126320 567264690 /nfs/dbraw/zinc/26/46/90/567264690.db2.gz WEACJYPNZOHGKS-CYBMUJFWSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126320 567264697 /nfs/dbraw/zinc/26/46/97/567264697.db2.gz WEACJYPNZOHGKS-CYBMUJFWSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(Br)ccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457721 567275540 /nfs/dbraw/zinc/27/55/40/567275540.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 2 396.373 3.058 10 0 GGAELP COc1cc(Br)ccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457721 567275544 /nfs/dbraw/zinc/27/55/44/567275544.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 2 396.373 3.058 10 0 GGAELP COC(=O)CC1([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCCC1 ZINC000526989667 567303161 /nfs/dbraw/zinc/30/31/61/567303161.db2.gz HQVIBLSLCQAKSJ-UHFFFAOYSA-N 2 2 380.286 3.371 10 0 GGAELP Cc1c2cc(Br)ccc2oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768599 567333226 /nfs/dbraw/zinc/33/32/26/567333226.db2.gz LMIDRYLQJOZHBX-UHFFFAOYSA-N 2 2 396.329 3.117 10 0 GGAELP Cc1c2cc(Br)ccc2oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768599 567333231 /nfs/dbraw/zinc/33/32/31/567333231.db2.gz LMIDRYLQJOZHBX-UHFFFAOYSA-N 2 2 396.329 3.117 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sc2ccccc2c1Br ZINC000617763915 567333347 /nfs/dbraw/zinc/33/33/47/567333347.db2.gz BEIQPUGBLPEYBZ-UHFFFAOYSA-N 2 2 398.370 3.277 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sc2ccccc2c1Br ZINC000617763915 567333353 /nfs/dbraw/zinc/33/33/53/567333353.db2.gz BEIQPUGBLPEYBZ-UHFFFAOYSA-N 2 2 398.370 3.277 10 0 GGAELP Fc1ccc(I)c(F)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000592433556 567337537 /nfs/dbraw/zinc/33/75/37/567337537.db2.gz BTVXGFAHMSMOHA-PHIMTYICSA-N 2 2 392.231 3.001 10 0 GGAELP Fc1ccc(I)c(F)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000592433556 567337544 /nfs/dbraw/zinc/33/75/44/567337544.db2.gz BTVXGFAHMSMOHA-PHIMTYICSA-N 2 2 392.231 3.001 10 0 GGAELP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000527663895 567358072 /nfs/dbraw/zinc/35/80/72/567358072.db2.gz GJJCHRSACDWWNO-IAGOWNOFSA-N 2 2 395.366 3.483 10 0 GGAELP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000527663895 567358077 /nfs/dbraw/zinc/35/80/77/567358077.db2.gz GJJCHRSACDWWNO-IAGOWNOFSA-N 2 2 395.366 3.483 10 0 GGAELP O[C@]1(C[NH2+]Cc2ccsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000527665801 567358778 /nfs/dbraw/zinc/35/87/78/567358778.db2.gz QAHQVFSBAWOTCB-KRWDZBQOSA-N 2 2 381.339 3.237 10 0 GGAELP O[C@]1(C[NH2+]Cc2ccsc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000527665801 567358782 /nfs/dbraw/zinc/35/87/82/567358782.db2.gz QAHQVFSBAWOTCB-KRWDZBQOSA-N 2 2 381.339 3.237 10 0 GGAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccsc3Br)[nH+]c2)C1 ZINC000527681220 567360018 /nfs/dbraw/zinc/36/00/18/567360018.db2.gz MKAGHETYLPVOHG-AWEZNQCLSA-N 2 2 381.343 3.080 10 0 GGAELP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662284312 567423613 /nfs/dbraw/zinc/42/36/13/567423613.db2.gz XDLLQYUWFJXADL-HOCLYGCPSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662284308 567423539 /nfs/dbraw/zinc/42/35/39/567423539.db2.gz XDLLQYUWFJXADL-GOEBONIOSA-N 2 2 388.737 3.216 10 0 GGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280155 567424215 /nfs/dbraw/zinc/42/42/15/567424215.db2.gz CXUATVOHQGVONH-RISCZKNCSA-N 2 2 382.327 3.212 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285007 567424589 /nfs/dbraw/zinc/42/45/89/567424589.db2.gz TZQFMURESZRBLI-KCXAZCMYSA-N 2 2 388.737 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285007 567424592 /nfs/dbraw/zinc/42/45/92/567424592.db2.gz TZQFMURESZRBLI-KCXAZCMYSA-N 2 2 388.737 3.358 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321815 567426957 /nfs/dbraw/zinc/42/69/57/567426957.db2.gz DONPPPYDHAHBCD-AWEZNQCLSA-N 2 2 382.302 3.133 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321815 567426961 /nfs/dbraw/zinc/42/69/61/567426961.db2.gz DONPPPYDHAHBCD-AWEZNQCLSA-N 2 2 382.302 3.133 10 0 GGAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320718 567427050 /nfs/dbraw/zinc/42/70/50/567427050.db2.gz DMWOGOSXCYEGJM-MRXNPFEDSA-N 2 2 391.309 3.395 10 0 GGAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320718 567427056 /nfs/dbraw/zinc/42/70/56/567427056.db2.gz DMWOGOSXCYEGJM-MRXNPFEDSA-N 2 2 391.309 3.395 10 0 GGAELP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000569746752 567428071 /nfs/dbraw/zinc/42/80/71/567428071.db2.gz DKDBHKVSVHGSFN-WFASDCNBSA-N 2 2 395.288 3.483 10 0 GGAELP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000569746752 567428076 /nfs/dbraw/zinc/42/80/76/567428076.db2.gz DKDBHKVSVHGSFN-WFASDCNBSA-N 2 2 395.288 3.483 10 0 GGAELP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000528501551 567430249 /nfs/dbraw/zinc/43/02/49/567430249.db2.gz LWRRCPGPQVSKRN-UHFFFAOYSA-N 2 2 381.307 3.279 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000569939015 567444868 /nfs/dbraw/zinc/44/48/68/567444868.db2.gz GZRXVULWXIOPNG-AWEZNQCLSA-N 2 2 384.351 3.416 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000569939015 567444873 /nfs/dbraw/zinc/44/48/73/567444873.db2.gz GZRXVULWXIOPNG-AWEZNQCLSA-N 2 2 384.351 3.416 10 0 GGAELP Cc1ccc(NCCCNC(=O)c2sc3c(c2Br)C[NH2+]C3)[nH+]c1 ZINC000662737229 567459694 /nfs/dbraw/zinc/45/96/94/567459694.db2.gz WXRASTMGWBONIL-UHFFFAOYSA-N 2 2 395.326 3.049 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000551271373 567493005 /nfs/dbraw/zinc/49/30/05/567493005.db2.gz XCDUKKAJTKOBKD-RHSMWYFYSA-N 2 2 384.362 3.099 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000551271371 567493136 /nfs/dbraw/zinc/49/31/36/567493136.db2.gz XCDUKKAJTKOBKD-PBHICJAKSA-N 2 2 384.362 3.099 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(Nc3nc(C4CC4)ncc3Br)CC2)CC1 ZINC000663481928 567510829 /nfs/dbraw/zinc/51/08/29/567510829.db2.gz OXCFHZOPCNAFTP-UHFFFAOYSA-N 2 2 394.361 3.087 10 0 GGAELP CCOc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc(Br)c1OC(F)F ZINC000663501187 567511618 /nfs/dbraw/zinc/51/16/18/567511618.db2.gz CJWCURSVQIOECQ-UHFFFAOYSA-N 2 2 391.256 3.291 10 0 GGAELP COc1c(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1Br ZINC000663501999 567512596 /nfs/dbraw/zinc/51/25/96/567512596.db2.gz NIZJEHKAYTZJHA-UHFFFAOYSA-N 2 2 390.119 3.062 10 0 GGAELP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)ccc2I)n1C ZINC000594957055 567529505 /nfs/dbraw/zinc/52/95/05/567529505.db2.gz MPWBULYPIORJKB-UHFFFAOYSA-N 2 2 375.641 3.276 10 0 GGAELP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000479393763 567532057 /nfs/dbraw/zinc/53/20/57/567532057.db2.gz MXVWCXKUKJRSIX-OAHLLOKOSA-N 2 2 375.519 3.194 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)(F)F)c(Br)s1 ZINC000664244829 567559644 /nfs/dbraw/zinc/55/96/44/567559644.db2.gz KZGQWNXQRMKGOP-UHFFFAOYSA-N 2 2 389.285 3.220 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)(F)F)c(Br)s1 ZINC000664244829 567559646 /nfs/dbraw/zinc/55/96/46/567559646.db2.gz KZGQWNXQRMKGOP-UHFFFAOYSA-N 2 2 389.285 3.220 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031459 567561516 /nfs/dbraw/zinc/56/15/16/567561516.db2.gz JWWUSQLLGUSJDF-BBRMVZONSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031235 567562279 /nfs/dbraw/zinc/56/22/79/567562279.db2.gz DAGUYTYOTAMQBP-BBRMVZONSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031853 567563887 /nfs/dbraw/zinc/56/38/87/567563887.db2.gz CTOLTVONUHJALI-CXAGYDPISA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031855 567564096 /nfs/dbraw/zinc/56/40/96/567564096.db2.gz CTOLTVONUHJALI-DYVFJYSZSA-N 2 2 381.307 3.171 10 0 GGAELP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000664601805 567578521 /nfs/dbraw/zinc/57/85/21/567578521.db2.gz XUFUYYGXGUQVBT-AWEZNQCLSA-N 2 2 376.298 3.033 10 0 GGAELP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000664601805 567578529 /nfs/dbraw/zinc/57/85/29/567578529.db2.gz XUFUYYGXGUQVBT-AWEZNQCLSA-N 2 2 376.298 3.033 10 0 GGAELP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223026 567584574 /nfs/dbraw/zinc/58/45/74/567584574.db2.gz JBZNDMAQFLFUFW-HIFRSBDPSA-N 2 2 389.284 3.446 10 0 GGAELP Fc1cc(Br)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1F ZINC000530239422 567585809 /nfs/dbraw/zinc/58/58/09/567585809.db2.gz FSNIPNCNCRYEKF-OAHLLOKOSA-N 2 2 389.284 3.318 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1Br ZINC000530334198 567594077 /nfs/dbraw/zinc/59/40/77/567594077.db2.gz WGRNJHISJRRAMA-UHFFFAOYSA-N 2 2 391.313 3.225 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559725 567612332 /nfs/dbraw/zinc/61/23/32/567612332.db2.gz VXQDINWPYUSQNG-HNNXBMFYSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559725 567612335 /nfs/dbraw/zinc/61/23/35/567612335.db2.gz VXQDINWPYUSQNG-HNNXBMFYSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000480559725 567612337 /nfs/dbraw/zinc/61/23/37/567612337.db2.gz VXQDINWPYUSQNG-HNNXBMFYSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000480559725 567612340 /nfs/dbraw/zinc/61/23/40/567612340.db2.gz VXQDINWPYUSQNG-HNNXBMFYSA-N 2 2 395.345 3.258 10 0 GGAELP Brc1ccc(CC2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000665264815 567615912 /nfs/dbraw/zinc/61/59/12/567615912.db2.gz IMBBXIAUKDZMCH-ZWKOTPCHSA-N 2 2 379.342 3.128 10 0 GGAELP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459337997 567616358 /nfs/dbraw/zinc/61/63/58/567616358.db2.gz KGGRWAXSPAONEJ-OAHLLOKOSA-N 2 2 377.330 3.104 10 0 GGAELP CN(C(=O)c1cscc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621914996 567621125 /nfs/dbraw/zinc/62/11/25/567621125.db2.gz OSQHCFBHMPDLDL-CYBMUJFWSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1cscc1C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621914996 567621130 /nfs/dbraw/zinc/62/11/30/567621130.db2.gz OSQHCFBHMPDLDL-CYBMUJFWSA-N 2 2 375.460 3.007 10 0 GGAELP C[NH+]1CCC2(CC1)CN(c1[nH+]ccc3cc(Br)ccc31)CCO2 ZINC000645385780 567622027 /nfs/dbraw/zinc/62/20/27/567622027.db2.gz QRJJXSRLLPCCIH-UHFFFAOYSA-N 2 2 376.298 3.298 10 0 GGAELP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Br)c1O ZINC000459550641 567636059 /nfs/dbraw/zinc/63/60/59/567636059.db2.gz KKHXLWMFJHXOHO-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(Br)c1O ZINC000459550641 567636062 /nfs/dbraw/zinc/63/60/62/567636062.db2.gz KKHXLWMFJHXOHO-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550641 567636066 /nfs/dbraw/zinc/63/60/66/567636066.db2.gz KKHXLWMFJHXOHO-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550641 567636068 /nfs/dbraw/zinc/63/60/68/567636068.db2.gz KKHXLWMFJHXOHO-GDBMZVCRSA-N 2 2 383.330 3.470 10 0 GGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000531427485 567658408 /nfs/dbraw/zinc/65/84/08/567658408.db2.gz VYFNDBKHIKIWRR-CYBMUJFWSA-N 2 2 391.313 3.229 10 0 GGAELP CCc1cc(Br)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666356039 567669072 /nfs/dbraw/zinc/66/90/72/567669072.db2.gz ZTDVQQDFXITRIO-UHFFFAOYSA-N 2 2 385.350 3.017 10 0 GGAELP CCc1cc(Br)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666356039 567669078 /nfs/dbraw/zinc/66/90/78/567669078.db2.gz ZTDVQQDFXITRIO-UHFFFAOYSA-N 2 2 385.350 3.017 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313624 567670482 /nfs/dbraw/zinc/67/04/82/567670482.db2.gz SPPKIGVYFYHATD-DZGCQCFKSA-N 2 2 392.345 3.331 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313624 567670486 /nfs/dbraw/zinc/67/04/86/567670486.db2.gz SPPKIGVYFYHATD-DZGCQCFKSA-N 2 2 392.345 3.331 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313633 567670710 /nfs/dbraw/zinc/67/07/10/567670710.db2.gz SPPKIGVYFYHATD-ZFWWWQNUSA-N 2 2 392.345 3.331 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313633 567670715 /nfs/dbraw/zinc/67/07/15/567670715.db2.gz SPPKIGVYFYHATD-ZFWWWQNUSA-N 2 2 392.345 3.331 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961922 567689865 /nfs/dbraw/zinc/68/98/65/567689865.db2.gz CIYDTVBJQSGDQR-YOEHRIQHSA-N 2 2 382.346 3.042 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961922 567689871 /nfs/dbraw/zinc/68/98/71/567689871.db2.gz CIYDTVBJQSGDQR-YOEHRIQHSA-N 2 2 382.346 3.042 10 0 GGAELP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ncc1Br ZINC000623341918 567703570 /nfs/dbraw/zinc/70/35/70/567703570.db2.gz YNVOGPXEDGCMBH-UHFFFAOYSA-N 2 2 390.325 3.275 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)[nH+]c12 ZINC000623491184 567714842 /nfs/dbraw/zinc/71/48/42/567714842.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 3 2 379.346 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)[nH+]c12 ZINC000623491184 567714846 /nfs/dbraw/zinc/71/48/46/567714846.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 3 2 379.346 3.410 10 0 GGAELP OC[C@]1([NH2+]Cc2cccc3[nH+]ccn32)CCc2cc(Br)ccc2C1 ZINC000623645334 567727625 /nfs/dbraw/zinc/72/76/25/567727625.db2.gz YAJZRTUPSQDJHU-IBGZPJMESA-N 2 2 386.293 3.106 10 0 GGAELP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)[nH+]cc1Br ZINC000667203464 567733984 /nfs/dbraw/zinc/73/39/84/567733984.db2.gz OVSSNLFWAKQMIM-LBPRGKRZSA-N 2 2 398.349 3.152 10 0 GGAELP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)[nH+]cc1Br ZINC000667203464 567733987 /nfs/dbraw/zinc/73/39/87/567733987.db2.gz OVSSNLFWAKQMIM-LBPRGKRZSA-N 2 2 398.349 3.152 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885848 567744161 /nfs/dbraw/zinc/74/41/61/567744161.db2.gz KIDYDXCATKTOMZ-JSGCOSHPSA-N 2 2 379.854 3.385 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885848 567744168 /nfs/dbraw/zinc/74/41/68/567744168.db2.gz KIDYDXCATKTOMZ-JSGCOSHPSA-N 2 2 379.854 3.385 10 0 GGAELP COC1CC[NH+](CC[NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623904207 567745522 /nfs/dbraw/zinc/74/55/22/567745522.db2.gz YDBFNQAFRSZRGL-GFCCVEGCSA-N 2 2 379.854 3.385 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000623991568 567751832 /nfs/dbraw/zinc/75/18/32/567751832.db2.gz KRBOJTDRBLWADK-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000623991568 567751838 /nfs/dbraw/zinc/75/18/38/567751838.db2.gz KRBOJTDRBLWADK-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](c1ccccc1Br)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099958 567752185 /nfs/dbraw/zinc/75/21/85/567752185.db2.gz HLHSMDNTJMNRRV-AWEZNQCLSA-N 2 2 394.357 3.185 10 0 GGAELP C[C@@H](c1ccccc1Br)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099958 567752188 /nfs/dbraw/zinc/75/21/88/567752188.db2.gz HLHSMDNTJMNRRV-AWEZNQCLSA-N 2 2 394.357 3.185 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000623991866 567752262 /nfs/dbraw/zinc/75/22/62/567752262.db2.gz SWDFQRILVKMWAY-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000623991866 567752269 /nfs/dbraw/zinc/75/22/69/567752269.db2.gz SWDFQRILVKMWAY-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP Fc1ccc(Br)c2[nH+]ccc(NCCCC[NH+]3CCOCC3)c12 ZINC000443516362 567764326 /nfs/dbraw/zinc/76/43/26/567764326.db2.gz MRPAUTUTJDSWLT-UHFFFAOYSA-N 2 2 382.277 3.083 10 0 GGAELP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1Br ZINC000624160765 567764946 /nfs/dbraw/zinc/76/49/46/567764946.db2.gz KFJXVSWFPDTMNG-AWEZNQCLSA-N 2 2 389.284 3.460 10 0 GGAELP Brc1ccccc1-n1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)nn1 ZINC000555092993 567768269 /nfs/dbraw/zinc/76/82/69/567768269.db2.gz MAYCSTFQOWAVGF-UHFFFAOYSA-N 2 2 387.285 3.133 10 0 GGAELP COc1ccc(Br)cc1C1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000647223886 567772438 /nfs/dbraw/zinc/77/24/38/567772438.db2.gz ZUSZTZBBTKKECB-UHFFFAOYSA-N 2 2 379.302 3.036 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480663 567788041 /nfs/dbraw/zinc/78/80/41/567788041.db2.gz XCGIBTILENSPNF-GOEBONIOSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480663 567788047 /nfs/dbraw/zinc/78/80/47/567788047.db2.gz XCGIBTILENSPNF-GOEBONIOSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000668114709 567796931 /nfs/dbraw/zinc/79/69/31/567796931.db2.gz AQTWQXNUWUCHJI-UHFFFAOYSA-N 2 2 398.308 3.352 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902698 567806156 /nfs/dbraw/zinc/80/61/56/567806156.db2.gz BIPJQIYQXBGZBP-YJBOKZPZSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902698 567806157 /nfs/dbraw/zinc/80/61/57/567806157.db2.gz BIPJQIYQXBGZBP-YJBOKZPZSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900531 567806225 /nfs/dbraw/zinc/80/62/25/567806225.db2.gz CSKRLPGKAMNGGY-QAPCUYQASA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900531 567806227 /nfs/dbraw/zinc/80/62/27/567806227.db2.gz CSKRLPGKAMNGGY-QAPCUYQASA-N 2 2 384.351 3.416 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899588 567806260 /nfs/dbraw/zinc/80/62/60/567806260.db2.gz PWZDEMOWVGFWME-CKEIUWERSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899588 567806262 /nfs/dbraw/zinc/80/62/62/567806262.db2.gz PWZDEMOWVGFWME-CKEIUWERSA-N 2 2 380.330 3.240 10 0 GGAELP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874909 570283009 /nfs/dbraw/zinc/28/30/09/570283009.db2.gz HBQCRQWHQJYIFE-UHFFFAOYSA-N 2 2 392.927 3.298 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3cccn3C)n2)C1 ZINC000023431130 570323600 /nfs/dbraw/zinc/32/36/00/570323600.db2.gz KOHQPBFQIZJJEP-UHFFFAOYSA-N 2 2 389.463 3.035 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3cccn3C)n2)C1 ZINC000023431130 570323604 /nfs/dbraw/zinc/32/36/04/570323604.db2.gz KOHQPBFQIZJJEP-UHFFFAOYSA-N 2 2 389.463 3.035 10 0 GGAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022936958 570338621 /nfs/dbraw/zinc/33/86/21/570338621.db2.gz UWYHFPGNBRFKFI-LJQANCHMSA-N 2 2 378.480 3.029 10 0 GGAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022936958 570338622 /nfs/dbraw/zinc/33/86/22/570338622.db2.gz UWYHFPGNBRFKFI-LJQANCHMSA-N 2 2 378.480 3.029 10 0 GGAELP C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000033071016 570401235 /nfs/dbraw/zinc/40/12/35/570401235.db2.gz BCWPNYSMGGQLHJ-KRWDZBQOSA-N 2 2 383.540 3.018 10 0 GGAELP C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000033071016 570401238 /nfs/dbraw/zinc/40/12/38/570401238.db2.gz BCWPNYSMGGQLHJ-KRWDZBQOSA-N 2 2 383.540 3.018 10 0 GGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000222020283 570406022 /nfs/dbraw/zinc/40/60/22/570406022.db2.gz PQCGSWLXBDABCF-PMACEKPBSA-N 2 2 394.563 3.126 10 0 GGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000222020283 570406025 /nfs/dbraw/zinc/40/60/25/570406025.db2.gz PQCGSWLXBDABCF-PMACEKPBSA-N 2 2 394.563 3.126 10 0 GGAELP Cc1cccn2cc(CCNC(=O)c3ccc(C[NH+]4CCSCC4)cc3)[nH+]c12 ZINC000072309259 570530365 /nfs/dbraw/zinc/53/03/65/570530365.db2.gz XCFMIGVCDXDOGN-UHFFFAOYSA-N 2 2 394.544 3.164 10 0 GGAELP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000170615870 570873352 /nfs/dbraw/zinc/87/33/52/570873352.db2.gz ICACSGIKIKKWSI-MSOLQXFVSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000170615870 570873356 /nfs/dbraw/zinc/87/33/56/570873356.db2.gz ICACSGIKIKKWSI-MSOLQXFVSA-N 2 2 379.907 3.359 10 0 GGAELP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069708705 1409679300 /nfs/dbraw/zinc/67/93/00/1409679300.db2.gz FZVFOCRUESUCGK-UHFFFAOYSA-N 2 2 395.547 3.275 10 0 GGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095446745 1410311352 /nfs/dbraw/zinc/31/13/52/1410311352.db2.gz PQCGSWLXBDABCF-WOJBJXKFSA-N 2 2 394.563 3.126 10 0 GGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095446745 1410311358 /nfs/dbraw/zinc/31/13/58/1410311358.db2.gz PQCGSWLXBDABCF-WOJBJXKFSA-N 2 2 394.563 3.126 10 0 GGAELP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000095986459 1410318396 /nfs/dbraw/zinc/31/83/96/1410318396.db2.gz SJRQXUMPXCMFDE-XLIONFOSSA-N 2 2 383.517 3.156 10 0 GGAELP COc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096178651 1410325231 /nfs/dbraw/zinc/32/52/31/1410325231.db2.gz ILXNTVCVEYRCIO-RBUKOAKNSA-N 2 2 381.520 3.079 10 0 GGAELP C[NH+]1CCN(c2cc(C[NH2+]Cc3c(Cl)cccc3OC(F)F)ccn2)CC1 ZINC000112709736 1412200979 /nfs/dbraw/zinc/20/09/79/1412200979.db2.gz BRRZNIDMMDSKOD-UHFFFAOYSA-N 2 2 396.869 3.378 10 0 GGAELP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000118766119 1413217411 /nfs/dbraw/zinc/21/74/11/1413217411.db2.gz MRGNATKXKLSRFK-UHFFFAOYSA-N 2 2 375.476 3.267 10 0 GGAELP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000118775619 1413218489 /nfs/dbraw/zinc/21/84/89/1413218489.db2.gz FPSBRELORUOGLO-UHFFFAOYSA-N 2 2 378.476 3.051 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000121177450 1414034573 /nfs/dbraw/zinc/03/45/73/1414034573.db2.gz BNONSQWJSXEXCI-NRFANRHFSA-N 2 2 378.476 3.423 10 0 GGAELP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000122309038 1414419813 /nfs/dbraw/zinc/41/98/13/1414419813.db2.gz BYTOOCDFXYFUDS-UHFFFAOYSA-N 3 2 381.564 3.424 10 0 GGAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]Cc2cccc3cccnc32)c1 ZINC000126747521 1415545625 /nfs/dbraw/zinc/54/56/25/1415545625.db2.gz CEKKXJINFTUSKY-UHFFFAOYSA-N 2 2 377.488 3.236 10 0 GGAELP CCCOc1c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cccc1OCC ZINC000128401871 1415979528 /nfs/dbraw/zinc/97/95/28/1415979528.db2.gz CQBIQKBEQTXWKB-UHFFFAOYSA-N 2 2 398.551 3.311 10 0 GGAELP COc1ccc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000128997958 1416122597 /nfs/dbraw/zinc/12/25/97/1416122597.db2.gz CZPKAKNURZXYHW-RTBURBONSA-N 2 2 397.357 3.315 10 0 GGAELP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000130009095 1416301898 /nfs/dbraw/zinc/30/18/98/1416301898.db2.gz CCILKLLUZZFROU-HXUWFJFHSA-N 2 2 384.480 3.097 10 0 GGAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000136576410 1417328017 /nfs/dbraw/zinc/32/80/17/1417328017.db2.gz AQHYHKDTPREMIT-QZTJIDSGSA-N 2 2 385.321 3.446 10 0 GGAELP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000151538346 1418017410 /nfs/dbraw/zinc/01/74/10/1418017410.db2.gz DIIHPKARCLJWJO-OAQYLSRUSA-N 2 2 393.531 3.097 10 0 GGAELP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151558764 1418023726 /nfs/dbraw/zinc/02/37/26/1418023726.db2.gz FBDINENEIWAQNE-NHCUHLMSSA-N 2 2 380.492 3.081 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000152153821 1418159224 /nfs/dbraw/zinc/15/92/24/1418159224.db2.gz DRIIKCIKCZEXHF-FQEVSTJZSA-N 2 2 392.507 3.237 10 0 GGAELP C[C@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@H+](C)Cc1ccccc1 ZINC000154206969 1422855206 /nfs/dbraw/zinc/85/52/06/1422855206.db2.gz HAXCICBMHPANOI-SFHLNBCPSA-N 2 2 383.540 3.386 10 0 GGAELP C[C@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000154206969 1422855210 /nfs/dbraw/zinc/85/52/10/1422855210.db2.gz HAXCICBMHPANOI-SFHLNBCPSA-N 2 2 383.540 3.386 10 0 GGAELP C[C@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[N@H+](C)Cc1ccccc1 ZINC000154206776 1422855225 /nfs/dbraw/zinc/85/52/25/1422855225.db2.gz HAXCICBMHPANOI-SBHAEUEKSA-N 2 2 383.540 3.386 10 0 GGAELP C[C@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000154206776 1422855229 /nfs/dbraw/zinc/85/52/29/1422855229.db2.gz HAXCICBMHPANOI-SBHAEUEKSA-N 2 2 383.540 3.386 10 0 GGAELP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154277857 1422865867 /nfs/dbraw/zinc/86/58/67/1422865867.db2.gz DWXPNLJSFJLFIM-OAQYLSRUSA-N 2 2 398.482 3.048 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000155322869 1423316657 /nfs/dbraw/zinc/31/66/57/1423316657.db2.gz BZIQEFZTMQURNV-XYJFISCASA-N 2 2 388.581 3.321 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)c1nc2ccccc2s1 ZINC000155322869 1423316667 /nfs/dbraw/zinc/31/66/67/1423316667.db2.gz BZIQEFZTMQURNV-XYJFISCASA-N 2 2 388.581 3.321 10 0 GGAELP c1ccc(CC[NH+]2CCC([NH2+][C@H](CN3CCOCC3)c3ccccc3)CC2)cc1 ZINC000163692058 1425034520 /nfs/dbraw/zinc/03/45/20/1425034520.db2.gz BRGHNMSWPDXHMU-RUZDIDTESA-N 2 2 393.575 3.357 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000186309679 1431378679 /nfs/dbraw/zinc/37/86/79/1431378679.db2.gz HQWWGBCKVBFWQP-KRWDZBQOSA-N 2 2 384.524 3.119 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000186309679 1431378682 /nfs/dbraw/zinc/37/86/82/1431378682.db2.gz HQWWGBCKVBFWQP-KRWDZBQOSA-N 2 2 384.524 3.119 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000186328497 1431384182 /nfs/dbraw/zinc/38/41/82/1431384182.db2.gz DZNUXDSEQVQVQY-UHFFFAOYSA-N 2 2 384.524 3.263 10 0 GGAELP COc1ccccc1[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000237202194 1433392128 /nfs/dbraw/zinc/39/21/28/1433392128.db2.gz GOGRHACESMCQAL-FCHUYYIVSA-N 2 2 393.531 3.053 10 0 GGAELP COc1cc2c(c(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)c1)O[C@@H](C)C2 ZINC000237408281 1433401262 /nfs/dbraw/zinc/40/12/62/1433401262.db2.gz FYCLFVPPZFACDS-SFHVURJKSA-N 2 2 395.547 3.056 10 0 GGAELP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)c1)O[C@@H](C)C2 ZINC000237408281 1433401270 /nfs/dbraw/zinc/40/12/70/1433401270.db2.gz FYCLFVPPZFACDS-SFHVURJKSA-N 2 2 395.547 3.056 10 0 GGAELP COc1cc2c(c(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)c1)O[C@H](C)C2 ZINC000237408311 1433401411 /nfs/dbraw/zinc/40/14/11/1433401411.db2.gz FYCLFVPPZFACDS-GOSISDBHSA-N 2 2 395.547 3.056 10 0 GGAELP COc1cc2c(c(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)c1)O[C@H](C)C2 ZINC000237408311 1433401412 /nfs/dbraw/zinc/40/14/12/1433401412.db2.gz FYCLFVPPZFACDS-GOSISDBHSA-N 2 2 395.547 3.056 10 0 GGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000246200542 1433581119 /nfs/dbraw/zinc/58/11/19/1433581119.db2.gz XMAJWYWMJLFZPP-FDDCHVKYSA-N 2 2 378.520 3.391 10 0 GGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000246200542 1433581123 /nfs/dbraw/zinc/58/11/23/1433581123.db2.gz XMAJWYWMJLFZPP-FDDCHVKYSA-N 2 2 378.520 3.391 10 0 GGAELP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCCC1 ZINC000246870663 1433680507 /nfs/dbraw/zinc/68/05/07/1433680507.db2.gz AXWQZUDBEAJUGR-HOJAQTOUSA-N 2 2 375.561 3.376 10 0 GGAELP CCC(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCCC1 ZINC000246870706 1433680595 /nfs/dbraw/zinc/68/05/95/1433680595.db2.gz AXWQZUDBEAJUGR-IHPCNDPISA-N 2 2 375.561 3.376 10 0 GGAELP C[N@H+](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000253437174 1433867487 /nfs/dbraw/zinc/86/74/87/1433867487.db2.gz ZMSGDSZVWDAJRX-MDWZMJQESA-N 2 2 377.532 3.366 10 0 GGAELP C[N@@H+](CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000253437174 1433867489 /nfs/dbraw/zinc/86/74/89/1433867489.db2.gz ZMSGDSZVWDAJRX-MDWZMJQESA-N 2 2 377.532 3.366 10 0 GGAELP COc1cccc(C[N@@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)c1OC ZINC000257177573 1433893604 /nfs/dbraw/zinc/89/36/04/1433893604.db2.gz XEZFHUULSKWBDD-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cccc(C[N@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)c1OC ZINC000257177573 1433893607 /nfs/dbraw/zinc/89/36/07/1433893607.db2.gz XEZFHUULSKWBDD-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cccc(C[NH+]2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1OC ZINC000257177573 1433893608 /nfs/dbraw/zinc/89/36/08/1433893608.db2.gz XEZFHUULSKWBDD-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cccc(C[NH+]2CC[C@]3(CO)C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1OC ZINC000257177573 1433893609 /nfs/dbraw/zinc/89/36/09/1433893609.db2.gz XEZFHUULSKWBDD-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801707 1434558932 /nfs/dbraw/zinc/55/89/32/1434558932.db2.gz AQRQIZKZIZMBED-WBVHZDCISA-N 2 2 379.570 3.010 10 0 GGAELP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801707 1434558936 /nfs/dbraw/zinc/55/89/36/1434558936.db2.gz AQRQIZKZIZMBED-WBVHZDCISA-N 2 2 379.570 3.010 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798783 1435093446 /nfs/dbraw/zinc/09/34/46/1435093446.db2.gz DWVRKWLXKBWVKO-WIYYLYMNSA-N 2 2 395.551 3.437 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798783 1435093450 /nfs/dbraw/zinc/09/34/50/1435093450.db2.gz DWVRKWLXKBWVKO-WIYYLYMNSA-N 2 2 395.551 3.437 10 0 GGAELP COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)cc1OC ZINC001656293686 1126257258 /nfs/dbraw/zinc/25/72/58/1126257258.db2.gz PVVRIJNAUNCPTM-QHCPKHFHSA-N 2 2 395.503 3.281 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000328631360 206235567 /nfs/dbraw/zinc/23/55/67/206235567.db2.gz KKIRFOHXTCXTPH-NZQKXSOJSA-N 2 2 382.552 3.303 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000328631360 206235572 /nfs/dbraw/zinc/23/55/72/206235572.db2.gz KKIRFOHXTCXTPH-NZQKXSOJSA-N 2 2 382.552 3.303 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000328631360 206235574 /nfs/dbraw/zinc/23/55/74/206235574.db2.gz KKIRFOHXTCXTPH-NZQKXSOJSA-N 2 2 382.552 3.303 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCc2ccc3c(c2)CCO3)[C@@H]1c1cnn(C)c1 ZINC000328631360 206235578 /nfs/dbraw/zinc/23/55/78/206235578.db2.gz KKIRFOHXTCXTPH-NZQKXSOJSA-N 2 2 382.552 3.303 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000328637364 206236777 /nfs/dbraw/zinc/23/67/77/206236777.db2.gz OPIVWDZVFCYSHU-FXAWDEMLSA-N 2 2 386.588 3.356 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000328637364 206236782 /nfs/dbraw/zinc/23/67/82/206236782.db2.gz OPIVWDZVFCYSHU-FXAWDEMLSA-N 2 2 386.588 3.356 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000328637364 206236783 /nfs/dbraw/zinc/23/67/83/206236783.db2.gz OPIVWDZVFCYSHU-FXAWDEMLSA-N 2 2 386.588 3.356 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cn(C)nc2C(C)(C)C)[C@@H]1c1cnn(C)c1 ZINC000328637364 206236788 /nfs/dbraw/zinc/23/67/88/206236788.db2.gz OPIVWDZVFCYSHU-FXAWDEMLSA-N 2 2 386.588 3.356 10 0 GGAELP C[C@H]1C[N@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc2O1 ZINC000015003709 207040868 /nfs/dbraw/zinc/04/08/68/207040868.db2.gz BMVVTZGCQKKFLJ-SIKLNZKXSA-N 2 2 393.531 3.050 10 0 GGAELP C[C@H]1C[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)Cc2ccccc2O1 ZINC000015003709 207040870 /nfs/dbraw/zinc/04/08/70/207040870.db2.gz BMVVTZGCQKKFLJ-SIKLNZKXSA-N 2 2 393.531 3.050 10 0 GGAELP C[C@H]1C[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)Cc2ccccc2O1 ZINC000015003709 207040872 /nfs/dbraw/zinc/04/08/72/207040872.db2.gz BMVVTZGCQKKFLJ-SIKLNZKXSA-N 2 2 393.531 3.050 10 0 GGAELP C[C@H]1C[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)Cc2ccccc2O1 ZINC000015003709 207040877 /nfs/dbraw/zinc/04/08/77/207040877.db2.gz BMVVTZGCQKKFLJ-SIKLNZKXSA-N 2 2 393.531 3.050 10 0 GGAELP c1cncc(C[NH+]2CCC([N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072036 207044312 /nfs/dbraw/zinc/04/43/12/207044312.db2.gz WCFJAGPGYWUBLA-FQEVSTJZSA-N 2 2 394.519 3.351 10 0 GGAELP c1cncc(C[NH+]2CCC([N@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072036 207044318 /nfs/dbraw/zinc/04/43/18/207044318.db2.gz WCFJAGPGYWUBLA-FQEVSTJZSA-N 2 2 394.519 3.351 10 0 GGAELP c1cncc(C[NH+]2CCC([N@@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072034 207044349 /nfs/dbraw/zinc/04/43/49/207044349.db2.gz WCFJAGPGYWUBLA-HXUWFJFHSA-N 2 2 394.519 3.351 10 0 GGAELP c1cncc(C[NH+]2CCC([N@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)CC2)c1 ZINC000015072034 207044353 /nfs/dbraw/zinc/04/43/53/207044353.db2.gz WCFJAGPGYWUBLA-HXUWFJFHSA-N 2 2 394.519 3.351 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccccc2Cl)C3)CC1 ZINC000015779553 207060565 /nfs/dbraw/zinc/06/05/65/207060565.db2.gz MHVKQJYHKAWYES-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccccc2Cl)C3)CC1 ZINC000015779553 207060568 /nfs/dbraw/zinc/06/05/68/207060568.db2.gz MHVKQJYHKAWYES-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc(Cl)c1OC ZINC000017318301 207090306 /nfs/dbraw/zinc/09/03/06/207090306.db2.gz KICYCEGJUAMZMU-UHFFFAOYSA-N 2 2 390.911 3.479 10 0 GGAELP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000023819183 207283079 /nfs/dbraw/zinc/28/30/79/207283079.db2.gz HLXUCDCRCVECJH-VMPITWQZSA-N 2 2 378.501 3.291 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000089735564 208107184 /nfs/dbraw/zinc/10/71/84/208107184.db2.gz JWPIVJNZHKXKKS-AWEZNQCLSA-N 2 2 395.276 3.196 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000089735564 208107186 /nfs/dbraw/zinc/10/71/86/208107186.db2.gz JWPIVJNZHKXKKS-AWEZNQCLSA-N 2 2 395.276 3.196 10 0 GGAELP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000095986458 208248252 /nfs/dbraw/zinc/24/82/52/208248252.db2.gz SJRQXUMPXCMFDE-PXNSSMCTSA-N 2 2 383.517 3.156 10 0 GGAELP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058407476 136155454 /nfs/dbraw/zinc/15/54/54/136155454.db2.gz NESUSEXICDHCRU-FQEVSTJZSA-N 2 2 384.568 3.459 10 0 GGAELP C[NH+](C)[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccs1 ZINC000047832282 564527011 /nfs/dbraw/zinc/52/70/11/564527011.db2.gz UCADGPAXKJFDBQ-AWEZNQCLSA-N 2 2 377.901 3.151 10 0 GGAELP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccc(Cl)cc1 ZINC000061781437 564708989 /nfs/dbraw/zinc/70/89/89/564708989.db2.gz QACHCZZZLMGVJC-UHFFFAOYSA-N 2 2 377.941 3.178 10 0 GGAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccc(Cl)cc1 ZINC000061781437 564708992 /nfs/dbraw/zinc/70/89/92/564708992.db2.gz QACHCZZZLMGVJC-UHFFFAOYSA-N 2 2 377.941 3.178 10 0 GGAELP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000134695083 564812793 /nfs/dbraw/zinc/81/27/93/564812793.db2.gz KVVQECNPMNGSTJ-MAUKXSAKSA-N 2 2 394.357 3.044 10 0 GGAELP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000134695083 564812797 /nfs/dbraw/zinc/81/27/97/564812797.db2.gz KVVQECNPMNGSTJ-MAUKXSAKSA-N 2 2 394.357 3.044 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478326 564833621 /nfs/dbraw/zinc/83/36/21/564833621.db2.gz CLUINTGQHDSLSZ-APWZRJJASA-N 2 2 386.367 3.129 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478326 564833624 /nfs/dbraw/zinc/83/36/24/564833624.db2.gz CLUINTGQHDSLSZ-APWZRJJASA-N 2 2 386.367 3.129 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091669359 564871410 /nfs/dbraw/zinc/87/14/10/564871410.db2.gz VOWREYISSDVPPZ-UHFFFAOYSA-N 2 2 377.330 3.469 10 0 GGAELP O[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151304035 564914483 /nfs/dbraw/zinc/91/44/83/564914483.db2.gz XVTFZJNHDBJLEB-GDBMZVCRSA-N 2 2 385.371 3.422 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000106165581 564979372 /nfs/dbraw/zinc/97/93/72/564979372.db2.gz PCBYLHQMZAJBNC-QGZVFWFLSA-N 2 2 378.314 3.171 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2cccc(Br)c2)CC1 ZINC000106165579 564979621 /nfs/dbraw/zinc/97/96/21/564979621.db2.gz PCBYLHQMZAJBNC-KRWDZBQOSA-N 2 2 378.314 3.171 10 0 GGAELP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(Cl)s1 ZINC000154535648 565043215 /nfs/dbraw/zinc/04/32/15/565043215.db2.gz OTKYFCGXAJMFCP-LSVZVQIISA-N 2 2 381.973 3.274 10 0 GGAELP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc(Cl)s1 ZINC000154535648 565043217 /nfs/dbraw/zinc/04/32/17/565043217.db2.gz OTKYFCGXAJMFCP-LSVZVQIISA-N 2 2 381.973 3.274 10 0 GGAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351831 565066473 /nfs/dbraw/zinc/06/64/73/565066473.db2.gz HIPDDKZEUIYKHE-IAGOWNOFSA-N 2 2 381.973 3.409 10 0 GGAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351831 565066474 /nfs/dbraw/zinc/06/64/74/565066474.db2.gz HIPDDKZEUIYKHE-IAGOWNOFSA-N 2 2 381.973 3.409 10 0 GGAELP O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000155822538 565071885 /nfs/dbraw/zinc/07/18/85/565071885.db2.gz YPNMTGJXVKTMFH-QGZVFWFLSA-N 2 2 393.300 3.097 10 0 GGAELP O[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000155822538 565071886 /nfs/dbraw/zinc/07/18/86/565071886.db2.gz YPNMTGJXVKTMFH-QGZVFWFLSA-N 2 2 393.300 3.097 10 0 GGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000183615881 565082292 /nfs/dbraw/zinc/08/22/92/565082292.db2.gz RSAVGPHZZCGMLL-CQSZACIVSA-N 2 2 376.492 3.072 10 0 GGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000183615881 565082298 /nfs/dbraw/zinc/08/22/98/565082298.db2.gz RSAVGPHZZCGMLL-CQSZACIVSA-N 2 2 376.492 3.072 10 0 GGAELP C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000156518436 565092167 /nfs/dbraw/zinc/09/21/67/565092167.db2.gz HZRFLIXCLRHLTR-BBRMVZONSA-N 2 2 392.297 3.500 10 0 GGAELP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000156518436 565092171 /nfs/dbraw/zinc/09/21/71/565092171.db2.gz HZRFLIXCLRHLTR-BBRMVZONSA-N 2 2 392.297 3.500 10 0 GGAELP C[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1F ZINC000292765302 565132813 /nfs/dbraw/zinc/13/28/13/565132813.db2.gz JEPOINUHYJGSRL-KRWDZBQOSA-N 2 2 382.277 3.329 10 0 GGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185118 /nfs/dbraw/zinc/18/51/18/565185118.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 2 391.313 3.415 10 0 GGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185122 /nfs/dbraw/zinc/18/51/22/565185122.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185127 /nfs/dbraw/zinc/18/51/27/565185127.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185129 /nfs/dbraw/zinc/18/51/29/565185129.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 2 391.313 3.415 10 0 GGAELP Brc1ccc([C@H]([NH2+]CCC[NH+]2CCCC2)c2cncnc2)cc1 ZINC000186089598 565239978 /nfs/dbraw/zinc/23/99/78/565239978.db2.gz BJRVHDYCSVRYGB-SFHVURJKSA-N 2 2 375.314 3.404 10 0 GGAELP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105112 565241091 /nfs/dbraw/zinc/24/10/91/565241091.db2.gz MFSGABCZFXSWNE-LIRRHRJNSA-N 2 2 387.325 3.402 10 0 GGAELP Brc1ccc([C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105112 565241095 /nfs/dbraw/zinc/24/10/95/565241095.db2.gz MFSGABCZFXSWNE-LIRRHRJNSA-N 2 2 387.325 3.402 10 0 GGAELP Ic1cccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000375196833 565375145 /nfs/dbraw/zinc/37/51/45/565375145.db2.gz XOMQOEJPRSDTIW-UHFFFAOYSA-N 2 2 390.228 3.162 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644820 565441704 /nfs/dbraw/zinc/44/17/04/565441704.db2.gz YUQAMVBKOZSVPD-CQSZACIVSA-N 2 2 378.929 3.189 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171644820 565441707 /nfs/dbraw/zinc/44/17/07/565441707.db2.gz YUQAMVBKOZSVPD-CQSZACIVSA-N 2 2 378.929 3.189 10 0 GGAELP Brc1ccccc1CN1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377780201 565498152 /nfs/dbraw/zinc/49/81/52/565498152.db2.gz LVJSYQOSTLNONS-MRXNPFEDSA-N 2 2 389.341 3.284 10 0 GGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc(Br)c1OC ZINC000377769612 565498748 /nfs/dbraw/zinc/49/87/48/565498748.db2.gz AVLKFXWRPBMCCO-LBPRGKRZSA-N 2 2 380.286 3.227 10 0 GGAELP CCOc1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc(Br)c1OC ZINC000377769612 565498752 /nfs/dbraw/zinc/49/87/52/565498752.db2.gz AVLKFXWRPBMCCO-LBPRGKRZSA-N 2 2 380.286 3.227 10 0 GGAELP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190464362 565534485 /nfs/dbraw/zinc/53/44/85/565534485.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 2 2 381.977 3.355 10 0 GGAELP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190464362 565534489 /nfs/dbraw/zinc/53/44/89/565534489.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 2 2 381.977 3.355 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190464362 565534491 /nfs/dbraw/zinc/53/44/91/565534491.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 2 2 381.977 3.355 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000383871745 565544497 /nfs/dbraw/zinc/54/44/97/565544497.db2.gz HWZMOENBHDMWKG-SOLBZPMBSA-N 2 2 389.341 3.183 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000383871745 565544503 /nfs/dbraw/zinc/54/45/03/565544503.db2.gz HWZMOENBHDMWKG-SOLBZPMBSA-N 2 2 389.341 3.183 10 0 GGAELP C[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000278328336 565552329 /nfs/dbraw/zinc/55/23/29/565552329.db2.gz FRCVVLNZYYIFNK-ZBFHGGJFSA-N 2 2 377.330 3.325 10 0 GGAELP C[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000278328336 565552332 /nfs/dbraw/zinc/55/23/32/565552332.db2.gz FRCVVLNZYYIFNK-ZBFHGGJFSA-N 2 2 377.330 3.325 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281806 565553210 /nfs/dbraw/zinc/55/32/10/565553210.db2.gz UTRUDPBMQQRZTH-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281806 565553215 /nfs/dbraw/zinc/55/32/15/565553215.db2.gz UTRUDPBMQQRZTH-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP CC[N@@H+](Cc1c(Br)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278478554 565561247 /nfs/dbraw/zinc/56/12/47/565561247.db2.gz RNWJHDWRXUZEPH-UHFFFAOYSA-N 2 2 392.345 3.316 10 0 GGAELP CC[N@H+](Cc1c(Br)cnn1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000278478554 565561251 /nfs/dbraw/zinc/56/12/51/565561251.db2.gz RNWJHDWRXUZEPH-UHFFFAOYSA-N 2 2 392.345 3.316 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580831 565566879 /nfs/dbraw/zinc/56/68/79/565566879.db2.gz YNIRIDSVEWWAQI-RHSMWYFYSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580831 565566885 /nfs/dbraw/zinc/56/68/85/565566885.db2.gz YNIRIDSVEWWAQI-RHSMWYFYSA-N 2 2 377.330 3.183 10 0 GGAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)c1 ZINC000313256763 565584103 /nfs/dbraw/zinc/58/41/03/565584103.db2.gz ZSKDWOKFCJOGRQ-UHFFFAOYSA-N 2 2 378.192 3.414 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(Cl)c(Cl)cn3)CC2)CC1 ZINC000408257587 565600406 /nfs/dbraw/zinc/60/04/06/565600406.db2.gz UJUNLZJUKIVCAG-UHFFFAOYSA-N 2 2 386.327 3.069 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293448 565605751 /nfs/dbraw/zinc/60/57/51/565605751.db2.gz KTWUEWFJWCTJJR-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293448 565605756 /nfs/dbraw/zinc/60/57/56/565605756.db2.gz KTWUEWFJWCTJJR-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955703 565608185 /nfs/dbraw/zinc/60/81/85/565608185.db2.gz HSMITTXHVFFVGX-CJNGLKHVSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955703 565608187 /nfs/dbraw/zinc/60/81/87/565608187.db2.gz HSMITTXHVFFVGX-CJNGLKHVSA-N 2 2 383.330 3.430 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156559 565616421 /nfs/dbraw/zinc/61/64/21/565616421.db2.gz AJDOGNZGDRIWFY-ZBFHGGJFSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156559 565616425 /nfs/dbraw/zinc/61/64/25/565616425.db2.gz AJDOGNZGDRIWFY-ZBFHGGJFSA-N 2 2 391.313 3.463 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769604 565657172 /nfs/dbraw/zinc/65/71/72/565657172.db2.gz RMVFVLCDBXLXOJ-WBMJQRKESA-N 2 2 386.309 3.189 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769604 565657176 /nfs/dbraw/zinc/65/71/76/565657176.db2.gz RMVFVLCDBXLXOJ-WBMJQRKESA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769604 565657183 /nfs/dbraw/zinc/65/71/83/565657183.db2.gz RMVFVLCDBXLXOJ-WBMJQRKESA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769604 565657187 /nfs/dbraw/zinc/65/71/87/565657187.db2.gz RMVFVLCDBXLXOJ-WBMJQRKESA-N 2 2 386.309 3.189 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193637097 565766985 /nfs/dbraw/zinc/76/69/85/565766985.db2.gz YYFGPAYRICAWPS-SDDRHHMPSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193637097 565766991 /nfs/dbraw/zinc/76/69/91/565766991.db2.gz YYFGPAYRICAWPS-SDDRHHMPSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193637097 565766996 /nfs/dbraw/zinc/76/69/96/565766996.db2.gz YYFGPAYRICAWPS-SDDRHHMPSA-N 2 2 375.822 3.179 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193637097 565767002 /nfs/dbraw/zinc/76/70/02/565767002.db2.gz YYFGPAYRICAWPS-SDDRHHMPSA-N 2 2 375.822 3.179 10 0 GGAELP COCCC[NH+]1CCC(Nc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413117348 565834070 /nfs/dbraw/zinc/83/40/70/565834070.db2.gz RBWDUUTVWMVSJZ-UHFFFAOYSA-N 2 2 378.314 3.332 10 0 GGAELP Brc1ccc2c(cc[nH+]c2NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000413157642 565836979 /nfs/dbraw/zinc/83/69/79/565836979.db2.gz QOGZMHJRIGKFMQ-CQSZACIVSA-N 2 2 390.325 3.332 10 0 GGAELP Brc1ccc2c(cc[nH+]c2N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000413176352 565838686 /nfs/dbraw/zinc/83/86/86/565838686.db2.gz RSHSWVGESCSLBG-AWEZNQCLSA-N 2 2 376.298 3.156 10 0 GGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000195249215 565869831 /nfs/dbraw/zinc/86/98/31/565869831.db2.gz QCJWBHUMCXASTR-CQSZACIVSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000195249215 565869837 /nfs/dbraw/zinc/86/98/37/565869837.db2.gz QCJWBHUMCXASTR-CQSZACIVSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000195249215 565869843 /nfs/dbraw/zinc/86/98/43/565869843.db2.gz QCJWBHUMCXASTR-CQSZACIVSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000195249215 565869847 /nfs/dbraw/zinc/86/98/47/565869847.db2.gz QCJWBHUMCXASTR-CQSZACIVSA-N 2 2 379.551 3.254 10 0 GGAELP Cc1ccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)[NH+](C)C)cc1 ZINC000414067203 565891870 /nfs/dbraw/zinc/89/18/70/565891870.db2.gz HUCAYGOYNNIRDO-CRAIPNDOSA-N 2 2 392.341 3.200 10 0 GGAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000414071395 565892119 /nfs/dbraw/zinc/89/21/19/565892119.db2.gz LSLHFBKMQVGYPV-ZDUSSCGKSA-N 2 2 389.297 3.098 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000333871872 565900501 /nfs/dbraw/zinc/90/05/01/565900501.db2.gz SBDKAYYMHIMKQD-SJORKVTESA-N 2 2 376.298 3.330 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287354 565910739 /nfs/dbraw/zinc/91/07/39/565910739.db2.gz IJWNXNVKCGGLCF-OAHLLOKOSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCCO2 ZINC000178287354 565910744 /nfs/dbraw/zinc/91/07/44/565910744.db2.gz IJWNXNVKCGGLCF-OAHLLOKOSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292042 565910865 /nfs/dbraw/zinc/91/08/65/565910865.db2.gz HJDAQPBIPPDKAB-CVEARBPZSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292042 565910868 /nfs/dbraw/zinc/91/08/68/565910868.db2.gz HJDAQPBIPPDKAB-CVEARBPZSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292024 565910882 /nfs/dbraw/zinc/91/08/82/565910882.db2.gz HJDAQPBIPPDKAB-HOTGVXAUSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000178292024 565910890 /nfs/dbraw/zinc/91/08/90/565910890.db2.gz HJDAQPBIPPDKAB-HOTGVXAUSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000178301886 565912774 /nfs/dbraw/zinc/91/27/74/565912774.db2.gz OXXKXEDXDADJJL-CQSZACIVSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000178301886 565912780 /nfs/dbraw/zinc/91/27/80/565912780.db2.gz OXXKXEDXDADJJL-CQSZACIVSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000178332708 565913485 /nfs/dbraw/zinc/91/34/85/565913485.db2.gz VUWLMUZAATWXBW-LBPRGKRZSA-N 2 2 392.257 3.262 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000178332708 565913494 /nfs/dbraw/zinc/91/34/94/565913494.db2.gz VUWLMUZAATWXBW-LBPRGKRZSA-N 2 2 392.257 3.262 10 0 GGAELP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)n1C ZINC000414355626 565915117 /nfs/dbraw/zinc/91/51/17/565915117.db2.gz CIYBHFAXWWSYCJ-UHFFFAOYSA-N 2 2 393.329 3.044 10 0 GGAELP C[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000178522590 565924760 /nfs/dbraw/zinc/92/47/60/565924760.db2.gz AKJHKAOWDVPKPF-WMLDXEAASA-N 2 2 383.330 3.221 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748662 565935581 /nfs/dbraw/zinc/93/55/81/565935581.db2.gz ZJNFINPWINJKTG-INIZCTEOSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748662 565935585 /nfs/dbraw/zinc/93/55/85/565935585.db2.gz ZJNFINPWINJKTG-INIZCTEOSA-N 2 2 391.313 3.366 10 0 GGAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414746686 565957811 /nfs/dbraw/zinc/95/78/11/565957811.db2.gz LXBYJKDHVXDNSQ-OAHLLOKOSA-N 2 2 382.346 3.473 10 0 GGAELP [NH3+][C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000414832798 565962009 /nfs/dbraw/zinc/96/20/09/565962009.db2.gz OYAKLPJFABQEGB-INIZCTEOSA-N 2 2 377.282 3.400 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825495 565962235 /nfs/dbraw/zinc/96/22/35/565962235.db2.gz CICIZKZVOUDGCM-DYVFJYSZSA-N 2 2 376.298 3.456 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825494 565962588 /nfs/dbraw/zinc/96/25/88/565962588.db2.gz CICIZKZVOUDGCM-CXAGYDPISA-N 2 2 376.298 3.456 10 0 GGAELP COc1cc(Br)c(C[NH2+]CCC[NH2+]Cc2cccnc2)c(OC)c1 ZINC000414879565 565964204 /nfs/dbraw/zinc/96/42/04/565964204.db2.gz PBMUXDLXLRUZPR-UHFFFAOYSA-N 2 2 394.313 3.131 10 0 GGAELP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC(F)F ZINC000414910932 565965531 /nfs/dbraw/zinc/96/55/31/565965531.db2.gz CXNNXPGQPOAUTE-BXKDBHETSA-N 2 2 379.245 3.147 10 0 GGAELP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC(F)F ZINC000414910935 565965650 /nfs/dbraw/zinc/96/56/50/565965650.db2.gz CXNNXPGQPOAUTE-CABZTGNLSA-N 2 2 379.245 3.147 10 0 GGAELP COC[C@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC[NH2+]1 ZINC000414945564 565966857 /nfs/dbraw/zinc/96/68/57/565966857.db2.gz QLQSTOPJMPILJR-QGZVFWFLSA-N 2 2 396.354 3.431 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988546 /nfs/dbraw/zinc/98/85/46/565988546.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988552 /nfs/dbraw/zinc/98/85/52/565988552.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988556 /nfs/dbraw/zinc/98/85/56/565988556.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988560 /nfs/dbraw/zinc/98/85/60/565988560.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431445 565990251 /nfs/dbraw/zinc/99/02/51/565990251.db2.gz OAIGBGSCBFVKRX-DAYGRLMNSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431445 565990255 /nfs/dbraw/zinc/99/02/55/565990255.db2.gz OAIGBGSCBFVKRX-DAYGRLMNSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431445 565990257 /nfs/dbraw/zinc/99/02/57/565990257.db2.gz OAIGBGSCBFVKRX-DAYGRLMNSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431445 565990261 /nfs/dbraw/zinc/99/02/61/565990261.db2.gz OAIGBGSCBFVKRX-DAYGRLMNSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000245431451 565990641 /nfs/dbraw/zinc/99/06/41/565990641.db2.gz OAIGBGSCBFVKRX-RKVPGOIHSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000245431451 565990645 /nfs/dbraw/zinc/99/06/45/565990645.db2.gz OAIGBGSCBFVKRX-RKVPGOIHSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000245431451 565990646 /nfs/dbraw/zinc/99/06/46/565990646.db2.gz OAIGBGSCBFVKRX-RKVPGOIHSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000245431451 565990651 /nfs/dbraw/zinc/99/06/51/565990651.db2.gz OAIGBGSCBFVKRX-RKVPGOIHSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H](C)C1 ZINC000246273181 566024013 /nfs/dbraw/zinc/02/40/13/566024013.db2.gz AVJNMBBBYDLCFF-SWLSCSKDSA-N 2 2 378.318 3.054 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H](C)C1 ZINC000246273181 566024017 /nfs/dbraw/zinc/02/40/17/566024017.db2.gz AVJNMBBBYDLCFF-SWLSCSKDSA-N 2 2 378.318 3.054 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936810 566047131 /nfs/dbraw/zinc/04/71/31/566047131.db2.gz HJDAQPBIPPDKAB-HZPDHXFCSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137718 566052953 /nfs/dbraw/zinc/05/29/53/566052953.db2.gz SSWARQJNBDKYHL-HZPDHXFCSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000247137718 566052956 /nfs/dbraw/zinc/05/29/56/566052956.db2.gz SSWARQJNBDKYHL-HZPDHXFCSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150717 566053596 /nfs/dbraw/zinc/05/35/96/566053596.db2.gz UGSXXXSYJITOEJ-HUUCEWRRSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000247150717 566053600 /nfs/dbraw/zinc/05/36/00/566053600.db2.gz UGSXXXSYJITOEJ-HUUCEWRRSA-N 2 2 384.307 3.403 10 0 GGAELP C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000247380143 566058877 /nfs/dbraw/zinc/05/88/77/566058877.db2.gz HZRFLIXCLRHLTR-XJKSGUPXSA-N 2 2 392.297 3.500 10 0 GGAELP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000247380143 566058881 /nfs/dbraw/zinc/05/88/81/566058881.db2.gz HZRFLIXCLRHLTR-XJKSGUPXSA-N 2 2 392.297 3.500 10 0 GGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000247694412 566065213 /nfs/dbraw/zinc/06/52/13/566065213.db2.gz TUDMQCUOHCYJKC-YOEHRIQHSA-N 2 2 391.313 3.476 10 0 GGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000247694412 566065218 /nfs/dbraw/zinc/06/52/18/566065218.db2.gz TUDMQCUOHCYJKC-YOEHRIQHSA-N 2 2 391.313 3.476 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247797263 566067038 /nfs/dbraw/zinc/06/70/38/566067038.db2.gz ZUGOHYWDZVKFJW-MLGOLLRUSA-N 2 2 395.276 3.306 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247797263 566067044 /nfs/dbraw/zinc/06/70/44/566067044.db2.gz ZUGOHYWDZVKFJW-MLGOLLRUSA-N 2 2 395.276 3.306 10 0 GGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ncc(Br)s2)nc[nH+]1 ZINC000180573601 566073917 /nfs/dbraw/zinc/07/39/17/566073917.db2.gz CIXJEMWBFYPHMG-GHMZBOCLSA-N 2 2 397.346 3.057 10 0 GGAELP C[NH+](Cc1ccc(Br)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261414523 566123970 /nfs/dbraw/zinc/12/39/70/566123970.db2.gz UIDQMYBAYCQPBX-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccc(Br)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261414523 566123976 /nfs/dbraw/zinc/12/39/76/566123976.db2.gz UIDQMYBAYCQPBX-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000261414523 566123978 /nfs/dbraw/zinc/12/39/78/566123978.db2.gz UIDQMYBAYCQPBX-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000261414523 566123985 /nfs/dbraw/zinc/12/39/85/566123985.db2.gz UIDQMYBAYCQPBX-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261851015 566138054 /nfs/dbraw/zinc/13/80/54/566138054.db2.gz VKTPCAPAKWJQBO-QAPCUYQASA-N 2 2 388.309 3.062 10 0 GGAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261851015 566138060 /nfs/dbraw/zinc/13/80/60/566138060.db2.gz VKTPCAPAKWJQBO-QAPCUYQASA-N 2 2 388.309 3.062 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181861457 566169227 /nfs/dbraw/zinc/16/92/27/566169227.db2.gz WDNZFTRCPRMZRV-IBGZPJMESA-N 2 2 394.401 3.484 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181861457 566169231 /nfs/dbraw/zinc/16/92/31/566169231.db2.gz WDNZFTRCPRMZRV-IBGZPJMESA-N 2 2 394.401 3.484 10 0 GGAELP OC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000291068752 566203993 /nfs/dbraw/zinc/20/39/93/566203993.db2.gz DXFQKTQIMDNGGW-OAHLLOKOSA-N 2 2 395.263 3.489 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098956 566230464 /nfs/dbraw/zinc/23/04/64/566230464.db2.gz DHRHBFZDVMRQRX-SMDDNHRTSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098956 566230466 /nfs/dbraw/zinc/23/04/66/566230466.db2.gz DHRHBFZDVMRQRX-SMDDNHRTSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098953 566230773 /nfs/dbraw/zinc/23/07/73/566230773.db2.gz DHRHBFZDVMRQRX-BXUZGUMPSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098953 566230775 /nfs/dbraw/zinc/23/07/75/566230775.db2.gz DHRHBFZDVMRQRX-BXUZGUMPSA-N 2 2 377.286 3.036 10 0 GGAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000368139584 566231423 /nfs/dbraw/zinc/23/14/23/566231423.db2.gz IIAASOMDJKTSEP-OAHLLOKOSA-N 2 2 384.977 3.104 10 0 GGAELP Cc1c(Br)cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000534871708 566261405 /nfs/dbraw/zinc/26/14/05/566261405.db2.gz APXWSMBJROVCON-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1c(Br)cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000534871708 566261415 /nfs/dbraw/zinc/26/14/15/566261415.db2.gz APXWSMBJROVCON-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923018 566264817 /nfs/dbraw/zinc/26/48/17/566264817.db2.gz JRHRRFBPVXEKNB-YJBOKZPZSA-N 2 2 380.374 3.397 10 0 GGAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923018 566264824 /nfs/dbraw/zinc/26/48/24/566264824.db2.gz JRHRRFBPVXEKNB-YJBOKZPZSA-N 2 2 380.374 3.397 10 0 GGAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923015 566265124 /nfs/dbraw/zinc/26/51/24/566265124.db2.gz JRHRRFBPVXEKNB-QAPCUYQASA-N 2 2 380.374 3.397 10 0 GGAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923015 566265133 /nfs/dbraw/zinc/26/51/33/566265133.db2.gz JRHRRFBPVXEKNB-QAPCUYQASA-N 2 2 380.374 3.397 10 0 GGAELP Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420352672 566273685 /nfs/dbraw/zinc/27/36/85/566273685.db2.gz ZNEMDRPFRKHGIA-IBGZPJMESA-N 2 2 387.325 3.482 10 0 GGAELP Brc1ccc(-c2nccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420352672 566273694 /nfs/dbraw/zinc/27/36/94/566273694.db2.gz ZNEMDRPFRKHGIA-IBGZPJMESA-N 2 2 387.325 3.482 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000556246221 566277876 /nfs/dbraw/zinc/27/78/76/566277876.db2.gz ITFOXJIVDWCTDW-SPYBWZPUSA-N 2 2 392.341 3.280 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236234 566296298 /nfs/dbraw/zinc/29/62/98/566296298.db2.gz GOKXTAXMAPAGLC-DOTOQJQBSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236234 566296302 /nfs/dbraw/zinc/29/63/02/566296302.db2.gz GOKXTAXMAPAGLC-DOTOQJQBSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247090 566296838 /nfs/dbraw/zinc/29/68/38/566296838.db2.gz RIEHRKBHRZXAIF-WBVHZDCISA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247090 566296845 /nfs/dbraw/zinc/29/68/45/566296845.db2.gz RIEHRKBHRZXAIF-WBVHZDCISA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000482241776 566297007 /nfs/dbraw/zinc/29/70/07/566297007.db2.gz JFVGFAURTGPOAA-ZIAGYGMSSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000482241776 566297017 /nfs/dbraw/zinc/29/70/17/566297017.db2.gz JFVGFAURTGPOAA-ZIAGYGMSSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000482256616 566297857 /nfs/dbraw/zinc/29/78/57/566297857.db2.gz MWEWWGRMZRSODU-PBHICJAKSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000482256616 566297862 /nfs/dbraw/zinc/29/78/62/566297862.db2.gz MWEWWGRMZRSODU-PBHICJAKSA-N 2 2 383.330 3.363 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600589 566315628 /nfs/dbraw/zinc/31/56/28/566315628.db2.gz HHJXNZNHAYSSEQ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600589 566315634 /nfs/dbraw/zinc/31/56/34/566315634.db2.gz HHJXNZNHAYSSEQ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600589 566315643 /nfs/dbraw/zinc/31/56/43/566315643.db2.gz HHJXNZNHAYSSEQ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600589 566315646 /nfs/dbraw/zinc/31/56/46/566315646.db2.gz HHJXNZNHAYSSEQ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600592 566315829 /nfs/dbraw/zinc/31/58/29/566315829.db2.gz HHJXNZNHAYSSEQ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600592 566315833 /nfs/dbraw/zinc/31/58/33/566315833.db2.gz HHJXNZNHAYSSEQ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600592 566315838 /nfs/dbraw/zinc/31/58/38/566315838.db2.gz HHJXNZNHAYSSEQ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600592 566315842 /nfs/dbraw/zinc/31/58/42/566315842.db2.gz HHJXNZNHAYSSEQ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Br)CCc1ccccc1 ZINC000576160667 566321021 /nfs/dbraw/zinc/32/10/21/566321021.db2.gz TTZTXMPJGHUERR-UHFFFAOYSA-N 2 2 390.325 3.281 10 0 GGAELP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Br)CCc1ccccc1 ZINC000576160667 566321028 /nfs/dbraw/zinc/32/10/28/566321028.db2.gz TTZTXMPJGHUERR-UHFFFAOYSA-N 2 2 390.325 3.281 10 0 GGAELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)s1 ZINC000482886400 566340949 /nfs/dbraw/zinc/34/09/49/566340949.db2.gz GPOAVPYMAOWUDR-GFCCVEGCSA-N 2 2 388.375 3.104 10 0 GGAELP CC(C)(CNc1cc[nH+]c2cc(Br)ccc12)[NH+]1CCS(=O)CC1 ZINC000446858052 566369464 /nfs/dbraw/zinc/36/94/64/566369464.db2.gz YGLXCARDYIGTHP-UHFFFAOYSA-N 2 2 396.354 3.252 10 0 GGAELP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000576883876 566386106 /nfs/dbraw/zinc/38/61/06/566386106.db2.gz ZDUGTJKDUZJTTF-UHFFFAOYSA-N 2 2 380.266 3.058 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626132616 566387475 /nfs/dbraw/zinc/38/74/75/566387475.db2.gz QYTXMXKSVTZWAN-UHFFFAOYSA-N 2 2 398.364 3.362 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(F)cc(Br)c3C2)CC1 ZINC000626132616 566387483 /nfs/dbraw/zinc/38/74/83/566387483.db2.gz QYTXMXKSVTZWAN-UHFFFAOYSA-N 2 2 398.364 3.362 10 0 GGAELP CCn1nccc1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510906960 566418493 /nfs/dbraw/zinc/41/84/93/566418493.db2.gz QOUPUZPTSWVKOG-UHFFFAOYSA-N 2 2 392.301 3.200 10 0 GGAELP CCn1nccc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510906960 566418498 /nfs/dbraw/zinc/41/84/98/566418498.db2.gz QOUPUZPTSWVKOG-UHFFFAOYSA-N 2 2 392.301 3.200 10 0 GGAELP C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422871590 566462532 /nfs/dbraw/zinc/46/25/32/566462532.db2.gz DEAKSGRXOZLQKJ-WHOFXGATSA-N 2 2 376.854 3.453 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871589 566462571 /nfs/dbraw/zinc/46/25/71/566462571.db2.gz DEAKSGRXOZLQKJ-UXIGCNINSA-N 2 2 376.854 3.453 10 0 GGAELP Brc1cccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)c1 ZINC000422742330 566462587 /nfs/dbraw/zinc/46/25/87/566462587.db2.gz RLQDBEDZBJPIEP-QZTJIDSGSA-N 2 2 379.342 3.227 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422746056 566463357 /nfs/dbraw/zinc/46/33/57/566463357.db2.gz YVYBWLVPRMFSOU-QZTJIDSGSA-N 2 2 379.342 3.227 10 0 GGAELP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876882 566464824 /nfs/dbraw/zinc/46/48/24/566464824.db2.gz QVXSFRBIJGVUNW-UONOGXRCSA-N 2 2 381.250 3.451 10 0 GGAELP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422876881 566465424 /nfs/dbraw/zinc/46/54/24/566465424.db2.gz QVXSFRBIJGVUNW-KGLIPLIRSA-N 2 2 381.250 3.451 10 0 GGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000422952272 566467019 /nfs/dbraw/zinc/46/70/19/566467019.db2.gz BZZVCIYCYCMQPM-CSMYWGQOSA-N 2 2 385.371 3.286 10 0 GGAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025474 566469234 /nfs/dbraw/zinc/46/92/34/566469234.db2.gz OJTOXHPNRNXKEE-MFKMUULPSA-N 2 2 381.236 3.325 10 0 GGAELP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423204040 566482203 /nfs/dbraw/zinc/48/22/03/566482203.db2.gz TYQKNZQXEGJCGD-MRXNPFEDSA-N 2 2 387.977 3.341 10 0 GGAELP COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1Br ZINC000423231074 566482598 /nfs/dbraw/zinc/48/25/98/566482598.db2.gz KQKSQJYLBYELPY-ZDUSSCGKSA-N 2 2 391.313 3.435 10 0 GGAELP Brc1cc2c(s1)CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242610 566484992 /nfs/dbraw/zinc/48/49/92/566484992.db2.gz YZPAVPXKJQXLCV-CYBMUJFWSA-N 2 2 379.327 3.415 10 0 GGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515285 566490777 /nfs/dbraw/zinc/49/07/77/566490777.db2.gz NATYVPFYXKJMOC-CMPLNLGQSA-N 2 2 392.135 3.241 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801729 566527215 /nfs/dbraw/zinc/52/72/15/566527215.db2.gz YMABDFLDJHYKBF-BBRMVZONSA-N 2 2 379.346 3.498 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801729 566527220 /nfs/dbraw/zinc/52/72/20/566527220.db2.gz YMABDFLDJHYKBF-BBRMVZONSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801729 566527226 /nfs/dbraw/zinc/52/72/26/566527226.db2.gz YMABDFLDJHYKBF-BBRMVZONSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@@H](C)C1 ZINC000485801729 566527233 /nfs/dbraw/zinc/52/72/33/566527233.db2.gz YMABDFLDJHYKBF-BBRMVZONSA-N 2 2 379.346 3.498 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449116559 566530236 /nfs/dbraw/zinc/53/02/36/566530236.db2.gz LWGVAUMTPVPNKI-OAHLLOKOSA-N 2 2 378.314 3.198 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449116559 566530242 /nfs/dbraw/zinc/53/02/42/566530242.db2.gz LWGVAUMTPVPNKI-OAHLLOKOSA-N 2 2 378.314 3.198 10 0 GGAELP CCOc1c(Br)cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626407 566540893 /nfs/dbraw/zinc/54/08/93/566540893.db2.gz NBPQLUIPBYHWMI-SFHVURJKSA-N 2 2 383.330 3.432 10 0 GGAELP CCOc1c(Br)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626407 566540901 /nfs/dbraw/zinc/54/09/01/566540901.db2.gz NBPQLUIPBYHWMI-SFHVURJKSA-N 2 2 383.330 3.432 10 0 GGAELP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1c(Cl)cccc1Cl ZINC000578740572 566550323 /nfs/dbraw/zinc/55/03/23/566550323.db2.gz NGHLGEPQYGVHHP-AWEZNQCLSA-N 2 2 380.275 3.213 10 0 GGAELP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000628969149 566600041 /nfs/dbraw/zinc/60/00/41/566600041.db2.gz OJTNCJSGYRLUOV-LRDDRELGSA-N 2 2 390.380 3.150 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1Br ZINC000513707431 566617890 /nfs/dbraw/zinc/61/78/90/566617890.db2.gz CUKLNOGKFJURGM-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000513707431 566617896 /nfs/dbraw/zinc/61/78/96/566617896.db2.gz CUKLNOGKFJURGM-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000560578105 566639305 /nfs/dbraw/zinc/63/93/05/566639305.db2.gz YHJRAGSTHLYJAB-UHFFFAOYSA-N 2 2 391.313 3.076 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096821 566641242 /nfs/dbraw/zinc/64/12/42/566641242.db2.gz UTFXBIZQEOEKDZ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096821 566641247 /nfs/dbraw/zinc/64/12/47/566641247.db2.gz UTFXBIZQEOEKDZ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096821 566641255 /nfs/dbraw/zinc/64/12/55/566641255.db2.gz UTFXBIZQEOEKDZ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096821 566641259 /nfs/dbraw/zinc/64/12/59/566641259.db2.gz UTFXBIZQEOEKDZ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096827 566641762 /nfs/dbraw/zinc/64/17/62/566641762.db2.gz UTFXBIZQEOEKDZ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096827 566641764 /nfs/dbraw/zinc/64/17/64/566641764.db2.gz UTFXBIZQEOEKDZ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096827 566641767 /nfs/dbraw/zinc/64/17/67/566641767.db2.gz UTFXBIZQEOEKDZ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096827 566641773 /nfs/dbraw/zinc/64/17/73/566641773.db2.gz UTFXBIZQEOEKDZ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1Br ZINC000629405486 566654239 /nfs/dbraw/zinc/65/42/39/566654239.db2.gz BVGYZIGIGAPDPE-TVQRCGJNSA-N 2 2 392.135 3.450 10 0 GGAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCc1cccc(Cl)c1Cl ZINC000675620498 566654727 /nfs/dbraw/zinc/65/47/27/566654727.db2.gz CNDAEPXILIQFLQ-OAHLLOKOSA-N 2 2 381.307 3.186 10 0 GGAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCCc1cccc(Cl)c1Cl ZINC000675620498 566654731 /nfs/dbraw/zinc/65/47/31/566654731.db2.gz CNDAEPXILIQFLQ-OAHLLOKOSA-N 2 2 381.307 3.186 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000487264050 566660963 /nfs/dbraw/zinc/66/09/63/566660963.db2.gz FZWFONJQNMMPFF-MLGOLLRUSA-N 2 2 383.359 3.417 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000487264050 566660970 /nfs/dbraw/zinc/66/09/70/566660970.db2.gz FZWFONJQNMMPFF-MLGOLLRUSA-N 2 2 383.359 3.417 10 0 GGAELP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450359115 566662592 /nfs/dbraw/zinc/66/25/92/566662592.db2.gz DYYOWKSFPAQXMN-LBPRGKRZSA-N 2 2 382.277 3.029 10 0 GGAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629524350 566664764 /nfs/dbraw/zinc/66/47/64/566664764.db2.gz PEGVDPZWIFNJSW-DLBZAZTESA-N 2 2 376.298 3.436 10 0 GGAELP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675929490 566670164 /nfs/dbraw/zinc/67/01/64/566670164.db2.gz IGLXYWWVYUBXRS-KRWDZBQOSA-N 2 2 383.330 3.363 10 0 GGAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000629598178 566671104 /nfs/dbraw/zinc/67/11/04/566671104.db2.gz VGUMMSHGPYRRBY-OAHLLOKOSA-N 2 2 399.279 3.310 10 0 GGAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000629598178 566671108 /nfs/dbraw/zinc/67/11/08/566671108.db2.gz VGUMMSHGPYRRBY-OAHLLOKOSA-N 2 2 399.279 3.310 10 0 GGAELP Clc1cc2c(s1)CCC[C@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000426298482 566703641 /nfs/dbraw/zinc/70/36/41/566703641.db2.gz MEBGDTQFZQMHEW-QGZVFWFLSA-N 2 2 383.989 3.165 10 0 GGAELP Clc1cc2c(s1)CCC[C@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000426298482 566703644 /nfs/dbraw/zinc/70/36/44/566703644.db2.gz MEBGDTQFZQMHEW-QGZVFWFLSA-N 2 2 383.989 3.165 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1sccc1Br ZINC000541226025 566704159 /nfs/dbraw/zinc/70/41/59/566704159.db2.gz QPZADBDGVKQEJC-AAEUAGOBSA-N 2 2 397.342 3.086 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(Br)c1 ZINC000541229075 566704504 /nfs/dbraw/zinc/70/45/04/566704504.db2.gz KIVNUBZSFDZXQQ-CZUORRHYSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230525 566706430 /nfs/dbraw/zinc/70/64/30/566706430.db2.gz XBJYZRYSBYADAG-CJNGLKHVSA-N 2 2 391.313 3.024 10 0 GGAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000654065312 566712490 /nfs/dbraw/zinc/71/24/90/566712490.db2.gz ZDMVYGFEALSBNQ-QGTPRVQTSA-N 2 2 394.357 3.042 10 0 GGAELP CC[NH+](CC)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000488583675 566736845 /nfs/dbraw/zinc/73/68/45/566736845.db2.gz CUIFJKWFPBCJLC-KRWDZBQOSA-N 2 2 382.346 3.029 10 0 GGAELP CCc1ccc(C[NH+]2CCN(C(=O)CSCC[NH+](CC)CC)CC2)s1 ZINC000469012852 566753611 /nfs/dbraw/zinc/75/36/11/566753611.db2.gz RPVSNIVLCGBEAY-UHFFFAOYSA-N 2 2 383.627 3.030 10 0 GGAELP C[NH+](C)CCCCC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000677976893 566773861 /nfs/dbraw/zinc/77/38/61/566773861.db2.gz OOTULVWBKKVMHQ-UHFFFAOYSA-N 2 2 386.367 3.412 10 0 GGAELP COCCc1ncc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000631123797 566782518 /nfs/dbraw/zinc/78/25/18/566782518.db2.gz ABQCDDLSIPPEID-UHFFFAOYSA-N 2 2 377.476 3.227 10 0 GGAELP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959581 566838801 /nfs/dbraw/zinc/83/88/01/566838801.db2.gz YSAPPUSWYMYGKX-ARFHVFGLSA-N 2 2 390.329 3.245 10 0 GGAELP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655763542 566846065 /nfs/dbraw/zinc/84/60/65/566846065.db2.gz PRSILKIXACWSJJ-PBHICJAKSA-N 2 2 381.314 3.116 10 0 GGAELP COc1ccc(Br)cc1C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655779676 566849391 /nfs/dbraw/zinc/84/93/91/566849391.db2.gz QIEONGDETIFFAI-INIZCTEOSA-N 2 2 395.341 3.290 10 0 GGAELP COc1ccc(Br)cc1C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655779677 566849875 /nfs/dbraw/zinc/84/98/75/566849875.db2.gz QIEONGDETIFFAI-MRXNPFEDSA-N 2 2 395.341 3.290 10 0 GGAELP CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1Cl ZINC000428536781 566854590 /nfs/dbraw/zinc/85/45/90/566854590.db2.gz MEEZAYQVUPSQSD-UHFFFAOYSA-N 2 2 381.910 3.281 10 0 GGAELP C[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490652080 566873668 /nfs/dbraw/zinc/87/36/68/566873668.db2.gz QICQTFNTNUJCPO-YJBOKZPZSA-N 2 2 386.367 3.330 10 0 GGAELP C[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490652080 566873673 /nfs/dbraw/zinc/87/36/73/566873673.db2.gz QICQTFNTNUJCPO-YJBOKZPZSA-N 2 2 386.367 3.330 10 0 GGAELP O[C@@H]1C[C@H]2CN(c3cc(C4CC4)[nH+]c4c(Br)cccc34)CC[N@@H+]2C1 ZINC000656219526 566886847 /nfs/dbraw/zinc/88/68/47/566886847.db2.gz ZHMKMKGEYUDBFS-UONOGXRCSA-N 2 2 388.309 3.130 10 0 GGAELP O[C@@H]1C[C@H]2CN(c3cc(C4CC4)[nH+]c4c(Br)cccc34)CC[N@H+]2C1 ZINC000656219526 566886850 /nfs/dbraw/zinc/88/68/50/566886850.db2.gz ZHMKMKGEYUDBFS-UONOGXRCSA-N 2 2 388.309 3.130 10 0 GGAELP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000656250093 566888660 /nfs/dbraw/zinc/88/86/60/566888660.db2.gz ILGBRZZFOJQAAY-UHFFFAOYSA-N 2 2 377.330 3.469 10 0 GGAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)s1 ZINC000680406885 566907995 /nfs/dbraw/zinc/90/79/95/566907995.db2.gz HDKJWXXFZVYBSE-ZDUSSCGKSA-N 2 2 383.970 3.458 10 0 GGAELP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000563778879 566916020 /nfs/dbraw/zinc/91/60/20/566916020.db2.gz ZZGKWGZMDGORHO-UHFFFAOYSA-N 2 2 375.314 3.302 10 0 GGAELP CCC[C@@H](CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552401 567044087 /nfs/dbraw/zinc/04/40/87/567044087.db2.gz GEFMUOXISVAKNF-SOUVJXGZSA-N 2 2 384.351 3.145 10 0 GGAELP CCC[C@@H](CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552401 567044092 /nfs/dbraw/zinc/04/40/92/567044092.db2.gz GEFMUOXISVAKNF-SOUVJXGZSA-N 2 2 384.351 3.145 10 0 GGAELP CCC[C@H](CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552399 567044921 /nfs/dbraw/zinc/04/49/21/567044921.db2.gz GEFMUOXISVAKNF-KFWWJZLASA-N 2 2 384.351 3.145 10 0 GGAELP CCC[C@H](CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552399 567044927 /nfs/dbraw/zinc/04/49/27/567044927.db2.gz GEFMUOXISVAKNF-KFWWJZLASA-N 2 2 384.351 3.145 10 0 GGAELP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(F)cncc2Br)c1 ZINC000657315708 567047365 /nfs/dbraw/zinc/04/73/65/567047365.db2.gz RGWRMWJWSMARMQ-UHFFFAOYSA-N 2 2 382.277 3.213 10 0 GGAELP Fc1cncc(Br)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000657314692 567047478 /nfs/dbraw/zinc/04/74/78/567047478.db2.gz AFIQKTVGVGYKCI-UHFFFAOYSA-N 2 2 394.288 3.105 10 0 GGAELP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000584604451 567057632 /nfs/dbraw/zinc/05/76/32/567057632.db2.gz UOSYXOBWUPZLGR-KRWDZBQOSA-N 2 2 392.297 3.158 10 0 GGAELP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266980 567068796 /nfs/dbraw/zinc/06/87/96/567068796.db2.gz OVHCDUNOUIZAEM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266980 567068804 /nfs/dbraw/zinc/06/88/04/567068804.db2.gz OVHCDUNOUIZAEM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866274 567081395 /nfs/dbraw/zinc/08/13/95/567081395.db2.gz UFYIOMKIUKIZQG-OAHLLOKOSA-N 2 2 380.330 3.408 10 0 GGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866274 567081402 /nfs/dbraw/zinc/08/14/02/567081402.db2.gz UFYIOMKIUKIZQG-OAHLLOKOSA-N 2 2 380.330 3.408 10 0 GGAELP CN(C)c1[nH+]cc(C[NH2+]CC2(Cc3ccc(Br)cc3)CC2)n1C ZINC000657660326 567082446 /nfs/dbraw/zinc/08/24/46/567082446.db2.gz JZNJGJQNCVNNQD-UHFFFAOYSA-N 2 2 377.330 3.361 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000545912721 567086605 /nfs/dbraw/zinc/08/66/05/567086605.db2.gz ICSWXSTYIWOOEZ-OAHLLOKOSA-N 2 2 397.357 3.387 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CC3(CC(N)=O)CCCCC3)c[nH+]c12 ZINC000657797817 567096900 /nfs/dbraw/zinc/09/69/00/567096900.db2.gz RVJYUMDFBQNVKP-UHFFFAOYSA-N 2 2 393.329 3.321 10 0 GGAELP Cn1cc[nH+]c1CN1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000522713814 567126554 /nfs/dbraw/zinc/12/65/54/567126554.db2.gz RXSDFMRNQSQOBH-RQOWECAXSA-N 2 2 389.341 3.404 10 0 GGAELP C[NH+](Cc1cccc(Br)c1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690899 567134446 /nfs/dbraw/zinc/13/44/46/567134446.db2.gz KQWTWPIBQOLARM-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1cccc(Br)c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690899 567134448 /nfs/dbraw/zinc/13/44/48/567134448.db2.gz KQWTWPIBQOLARM-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000588690899 567134452 /nfs/dbraw/zinc/13/44/52/567134452.db2.gz KQWTWPIBQOLARM-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000588690899 567134455 /nfs/dbraw/zinc/13/44/55/567134455.db2.gz KQWTWPIBQOLARM-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000546572554 567136975 /nfs/dbraw/zinc/13/69/75/567136975.db2.gz JIJORTAVPLQQLT-HNNXBMFYSA-N 2 2 380.330 3.408 10 0 GGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000546572554 567136980 /nfs/dbraw/zinc/13/69/80/567136980.db2.gz JIJORTAVPLQQLT-HNNXBMFYSA-N 2 2 380.330 3.408 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474490834 567176518 /nfs/dbraw/zinc/17/65/18/567176518.db2.gz PDRRUDJHZBTARE-SNVBAGLBSA-N 2 2 380.220 3.001 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474490834 567176526 /nfs/dbraw/zinc/17/65/26/567176526.db2.gz PDRRUDJHZBTARE-SNVBAGLBSA-N 2 2 380.220 3.001 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474490832 567176812 /nfs/dbraw/zinc/17/68/12/567176812.db2.gz PDRRUDJHZBTARE-JTQLQIEISA-N 2 2 380.220 3.001 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474490832 567176820 /nfs/dbraw/zinc/17/68/20/567176820.db2.gz PDRRUDJHZBTARE-JTQLQIEISA-N 2 2 380.220 3.001 10 0 GGAELP COc1c(O)cccc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000546973353 567177278 /nfs/dbraw/zinc/17/72/78/567177278.db2.gz YKAZLIKZGVXPEX-UHFFFAOYSA-N 2 2 390.281 3.452 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CC3(CO)CC4(CCC4)C3)c[nH+]c12 ZINC000433195939 567231049 /nfs/dbraw/zinc/23/10/49/567231049.db2.gz ZSXLPXGPLMTLEY-UHFFFAOYSA-N 2 2 378.314 3.438 10 0 GGAELP NC(=O)[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC000475440770 567248969 /nfs/dbraw/zinc/24/89/69/567248969.db2.gz BXGUTWYGVASHRN-HNNXBMFYSA-N 2 2 391.294 3.013 10 0 GGAELP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081503 567262979 /nfs/dbraw/zinc/26/29/79/567262979.db2.gz DKGWYNGNAIVOMM-BBRMVZONSA-N 2 2 377.286 3.310 10 0 GGAELP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081503 567262984 /nfs/dbraw/zinc/26/29/84/567262984.db2.gz DKGWYNGNAIVOMM-BBRMVZONSA-N 2 2 377.286 3.310 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1OC ZINC000591081904 567263256 /nfs/dbraw/zinc/26/32/56/567263256.db2.gz BIMWPPLRUFFMHO-CQSZACIVSA-N 2 2 380.286 3.500 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1OC ZINC000591081904 567263260 /nfs/dbraw/zinc/26/32/60/567263260.db2.gz BIMWPPLRUFFMHO-CQSZACIVSA-N 2 2 380.286 3.500 10 0 GGAELP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1c(Cl)cccc1Cl ZINC000567678606 567267734 /nfs/dbraw/zinc/26/77/34/567267734.db2.gz XDTBTXXVEVVPNA-CQSZACIVSA-N 2 2 384.307 3.098 10 0 GGAELP COc1cc(Br)ccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457720 567275110 /nfs/dbraw/zinc/27/51/10/567275110.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 2 396.373 3.058 10 0 GGAELP COc1cc(Br)ccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457720 567275117 /nfs/dbraw/zinc/27/51/17/567275117.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 2 396.373 3.058 10 0 GGAELP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192135 567294984 /nfs/dbraw/zinc/29/49/84/567294984.db2.gz PRGSFZUULGYKQO-JTDSTZFVSA-N 2 2 389.341 3.455 10 0 GGAELP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192135 567294987 /nfs/dbraw/zinc/29/49/87/567294987.db2.gz PRGSFZUULGYKQO-JTDSTZFVSA-N 2 2 389.341 3.455 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000639256008 567299873 /nfs/dbraw/zinc/29/98/73/567299873.db2.gz ROWIJGYCGHOJJM-SJLPKXTDSA-N 2 2 377.330 3.150 10 0 GGAELP FC1(F)C[C@H]1OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000660534999 567305970 /nfs/dbraw/zinc/30/59/70/567305970.db2.gz JALMJTPFWFUOQF-CYBMUJFWSA-N 2 2 390.228 3.165 10 0 GGAELP FC1(F)C[C@H]1OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000660534999 567305975 /nfs/dbraw/zinc/30/59/75/567305975.db2.gz JALMJTPFWFUOQF-CYBMUJFWSA-N 2 2 390.228 3.165 10 0 GGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCc1cccc(Cl)c1Cl ZINC000434988141 567338330 /nfs/dbraw/zinc/33/83/30/567338330.db2.gz XVQCEVPQCFQMCU-UHFFFAOYSA-N 2 2 381.307 3.255 10 0 GGAELP C[C@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C[NH+]1CCOCC1 ZINC000527861366 567379807 /nfs/dbraw/zinc/37/98/07/567379807.db2.gz DFUTZSMNOVQYOT-NEPJUHHUSA-N 2 2 377.273 3.346 10 0 GGAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cc(F)c(Br)cc1F ZINC000527861369 567379980 /nfs/dbraw/zinc/37/99/80/567379980.db2.gz DFUTZSMNOVQYOT-NWDGAFQWSA-N 2 2 377.273 3.346 10 0 GGAELP C[C@@H](C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F)C[NH+]1CCOCC1 ZINC000527861371 567380617 /nfs/dbraw/zinc/38/06/17/567380617.db2.gz DFUTZSMNOVQYOT-RYUDHWBXSA-N 2 2 377.273 3.346 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000569511069 567409263 /nfs/dbraw/zinc/40/92/63/567409263.db2.gz CCCINJKHNOTUMA-HZPDHXFCSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000569511069 567409267 /nfs/dbraw/zinc/40/92/67/567409267.db2.gz CCCINJKHNOTUMA-HZPDHXFCSA-N 2 2 392.341 3.109 10 0 GGAELP O[C@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153169 567411961 /nfs/dbraw/zinc/41/19/61/567411961.db2.gz ORYOZQYJINKNFV-PKOBYXMFSA-N 2 2 379.342 3.358 10 0 GGAELP O[C@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153169 567411972 /nfs/dbraw/zinc/41/19/72/567411972.db2.gz ORYOZQYJINKNFV-PKOBYXMFSA-N 2 2 379.342 3.358 10 0 GGAELP Cc1ccc2c(c1Br)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000662192810 567415893 /nfs/dbraw/zinc/41/58/93/567415893.db2.gz VADBOEKIZXGOAV-UHFFFAOYSA-N 2 2 380.374 3.489 10 0 GGAELP Cc1ccc2c(c1Br)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000662192810 567415895 /nfs/dbraw/zinc/41/58/95/567415895.db2.gz VADBOEKIZXGOAV-UHFFFAOYSA-N 2 2 380.374 3.489 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Br)c(F)c1F ZINC000528423547 567421859 /nfs/dbraw/zinc/42/18/59/567421859.db2.gz OBLVVMCOXYEJIA-UHFFFAOYSA-N 2 2 390.316 3.185 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(Br)c(F)c1F ZINC000528423547 567421863 /nfs/dbraw/zinc/42/18/63/567421863.db2.gz OBLVVMCOXYEJIA-UHFFFAOYSA-N 2 2 390.316 3.185 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693275 567423799 /nfs/dbraw/zinc/42/37/99/567423799.db2.gz FPMAFSBTFIAGFU-GOSISDBHSA-N 2 2 383.330 3.432 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693275 567423804 /nfs/dbraw/zinc/42/38/04/567423804.db2.gz FPMAFSBTFIAGFU-GOSISDBHSA-N 2 2 383.330 3.432 10 0 GGAELP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662284304 567423778 /nfs/dbraw/zinc/42/37/78/567423778.db2.gz XDLLQYUWFJXADL-GDBMZVCRSA-N 2 2 388.737 3.216 10 0 GGAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569843017 567435851 /nfs/dbraw/zinc/43/58/51/567435851.db2.gz HKTVJPVOBLDVIP-ZVZYQTTQSA-N 2 2 394.357 3.172 10 0 GGAELP O=C(NCCCCNc1cccc[nH+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662447064 567438556 /nfs/dbraw/zinc/43/85/56/567438556.db2.gz UJLPKYMFPAZQTB-UHFFFAOYSA-N 2 2 395.326 3.131 10 0 GGAELP C[N@@H+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)c2ccccc2C1 ZINC000662719883 567457283 /nfs/dbraw/zinc/45/72/83/567457283.db2.gz MGEWVYYNEYABPS-UHFFFAOYSA-N 2 2 392.322 3.206 10 0 GGAELP C[N@H+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)c2ccccc2C1 ZINC000662719883 567457290 /nfs/dbraw/zinc/45/72/90/567457290.db2.gz MGEWVYYNEYABPS-UHFFFAOYSA-N 2 2 392.322 3.206 10 0 GGAELP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000662731726 567459282 /nfs/dbraw/zinc/45/92/82/567459282.db2.gz IYRSJYIXWAOAME-SJORKVTESA-N 2 2 382.346 3.076 10 0 GGAELP Cc1nc(NCc2ccc(C[NH+]3CCOCC3)cc2)c(Br)c(C)[nH+]1 ZINC000663349637 567499954 /nfs/dbraw/zinc/49/99/54/567499954.db2.gz NVUCOKRIIFRYQL-UHFFFAOYSA-N 2 2 391.313 3.300 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000663527855 567514421 /nfs/dbraw/zinc/51/44/21/567514421.db2.gz PAUSCKLPNLERLS-MRXNPFEDSA-N 2 2 384.977 3.060 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000663527855 567514426 /nfs/dbraw/zinc/51/44/26/567514426.db2.gz PAUSCKLPNLERLS-MRXNPFEDSA-N 2 2 384.977 3.060 10 0 GGAELP Clc1cc(I)ccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594938145 567527105 /nfs/dbraw/zinc/52/71/05/567527105.db2.gz TYRABAIWJHAPIY-UHFFFAOYSA-N 2 2 387.652 3.377 10 0 GGAELP Brc1ccc(-n2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088114 567536696 /nfs/dbraw/zinc/53/66/96/567536696.db2.gz LFKHJIVVSUFVAR-GOSISDBHSA-N 2 2 375.314 3.210 10 0 GGAELP Brc1ccc(-n2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088114 567536702 /nfs/dbraw/zinc/53/67/02/567536702.db2.gz LFKHJIVVSUFVAR-GOSISDBHSA-N 2 2 375.314 3.210 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000595052778 567539546 /nfs/dbraw/zinc/53/95/46/567539546.db2.gz VVMQATMCPMOIEO-JSGCOSHPSA-N 2 2 379.245 3.149 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000595052778 567539554 /nfs/dbraw/zinc/53/95/54/567539554.db2.gz VVMQATMCPMOIEO-JSGCOSHPSA-N 2 2 379.245 3.149 10 0 GGAELP Cc1cc(Br)cn2cc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)[nH+]c12 ZINC000504941801 567552991 /nfs/dbraw/zinc/55/29/91/567552991.db2.gz GMZSRCCUQJJJBP-INIZCTEOSA-N 2 2 393.329 3.286 10 0 GGAELP Cc1cc(Br)cn2cc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)[nH+]c12 ZINC000504941801 567552998 /nfs/dbraw/zinc/55/29/98/567552998.db2.gz GMZSRCCUQJJJBP-INIZCTEOSA-N 2 2 393.329 3.286 10 0 GGAELP Cc1cc[nH+]c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000664238112 567559004 /nfs/dbraw/zinc/55/90/04/567559004.db2.gz WGBQVBPKQDMIMW-INIZCTEOSA-N 2 2 376.298 3.331 10 0 GGAELP Cc1cc[nH+]c(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000664238112 567559012 /nfs/dbraw/zinc/55/90/12/567559012.db2.gz WGBQVBPKQDMIMW-INIZCTEOSA-N 2 2 376.298 3.331 10 0 GGAELP Cc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(Br)c(C)[nH+]1 ZINC000664234744 567559475 /nfs/dbraw/zinc/55/94/75/567559475.db2.gz ACSHIXCVYRUPGB-INIZCTEOSA-N 2 2 391.313 3.035 10 0 GGAELP Cc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Br)c(C)[nH+]1 ZINC000664234744 567559476 /nfs/dbraw/zinc/55/94/76/567559476.db2.gz ACSHIXCVYRUPGB-INIZCTEOSA-N 2 2 391.313 3.035 10 0 GGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034770 567563870 /nfs/dbraw/zinc/56/38/70/567563870.db2.gz XRZFSFHSRBYOCW-XJKCOSOUSA-N 2 2 381.307 3.250 10 0 GGAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987612 567572720 /nfs/dbraw/zinc/57/27/20/567572720.db2.gz VWTOCQUQGCBZDY-GXFFZTMASA-N 2 2 381.236 3.386 10 0 GGAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987612 567572726 /nfs/dbraw/zinc/57/27/26/567572726.db2.gz VWTOCQUQGCBZDY-GXFFZTMASA-N 2 2 381.236 3.386 10 0 GGAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987609 567573171 /nfs/dbraw/zinc/57/31/71/567573171.db2.gz VWTOCQUQGCBZDY-GWCFXTLKSA-N 2 2 381.236 3.386 10 0 GGAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987609 567573176 /nfs/dbraw/zinc/57/31/76/567573176.db2.gz VWTOCQUQGCBZDY-GWCFXTLKSA-N 2 2 381.236 3.386 10 0 GGAELP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)C1 ZINC000664599165 567577126 /nfs/dbraw/zinc/57/71/26/567577126.db2.gz YKZAVRQCNUIUPV-ZDUSSCGKSA-N 2 2 394.288 3.172 10 0 GGAELP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)C1 ZINC000664599165 567577129 /nfs/dbraw/zinc/57/71/29/567577129.db2.gz YKZAVRQCNUIUPV-ZDUSSCGKSA-N 2 2 394.288 3.172 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223675 567584322 /nfs/dbraw/zinc/58/43/22/567584322.db2.gz UFWVNDLEGMLYKS-HOCLYGCPSA-N 2 2 398.288 3.379 10 0 GGAELP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226944 567585947 /nfs/dbraw/zinc/58/59/47/567585947.db2.gz VCOQPMRDLYVRBI-WMLDXEAASA-N 2 2 389.284 3.446 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000644895160 567588223 /nfs/dbraw/zinc/58/82/23/567588223.db2.gz PTDOBZSRSRDLIS-ZDUSSCGKSA-N 2 2 379.302 3.030 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559726 567612688 /nfs/dbraw/zinc/61/26/88/567612688.db2.gz VXQDINWPYUSQNG-OAHLLOKOSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(Br)ccc3[nH]2)C1 ZINC000480559726 567612690 /nfs/dbraw/zinc/61/26/90/567612690.db2.gz VXQDINWPYUSQNG-OAHLLOKOSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000480559726 567612691 /nfs/dbraw/zinc/61/26/91/567612691.db2.gz VXQDINWPYUSQNG-OAHLLOKOSA-N 2 2 395.345 3.258 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000480559726 567612692 /nfs/dbraw/zinc/61/26/92/567612692.db2.gz VXQDINWPYUSQNG-OAHLLOKOSA-N 2 2 395.345 3.258 10 0 GGAELP Cc1c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000665280535 567615856 /nfs/dbraw/zinc/61/58/56/567615856.db2.gz FPZQWOPXBQVMPT-BLLLJJGKSA-N 2 2 380.334 3.362 10 0 GGAELP Cc1c([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)nnn1-c1cccc(Br)c1 ZINC000665280536 567616064 /nfs/dbraw/zinc/61/60/64/567616064.db2.gz FPZQWOPXBQVMPT-MLGOLLRUSA-N 2 2 380.334 3.362 10 0 GGAELP CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459344872 567616971 /nfs/dbraw/zinc/61/69/71/567616971.db2.gz VFGUJLZQAXMANA-LJQANCHMSA-N 2 2 391.357 3.494 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000459363573 567618749 /nfs/dbraw/zinc/61/87/49/567618749.db2.gz RLZHFGVVWVZZIM-MRXNPFEDSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccc(I)cc1 ZINC000459363573 567618750 /nfs/dbraw/zinc/61/87/50/567618750.db2.gz RLZHFGVVWVZZIM-MRXNPFEDSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000459384652 567620028 /nfs/dbraw/zinc/62/00/28/567620028.db2.gz XZFYEFASXLUJOK-INIZCTEOSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000459384652 567620035 /nfs/dbraw/zinc/62/00/35/567620035.db2.gz XZFYEFASXLUJOK-INIZCTEOSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000459521073 567631975 /nfs/dbraw/zinc/63/19/75/567631975.db2.gz HCRGRSWBBMBJLO-MRXNPFEDSA-N 2 2 375.822 3.084 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000459521073 567631980 /nfs/dbraw/zinc/63/19/80/567631980.db2.gz HCRGRSWBBMBJLO-MRXNPFEDSA-N 2 2 375.822 3.084 10 0 GGAELP COc1c(Cl)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665927744 567644772 /nfs/dbraw/zinc/64/47/72/567644772.db2.gz ZZYOXXAOIVESDK-UHFFFAOYSA-N 2 2 377.316 3.007 10 0 GGAELP COc1c(Cl)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665927744 567644777 /nfs/dbraw/zinc/64/47/77/567644777.db2.gz ZZYOXXAOIVESDK-UHFFFAOYSA-N 2 2 377.316 3.007 10 0 GGAELP C[C@H](CCc1ccc(I)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667092 567648342 /nfs/dbraw/zinc/64/83/42/567648342.db2.gz RWOGVGXIJIKILJ-CYBMUJFWSA-N 2 2 383.277 3.178 10 0 GGAELP CC1(C)Oc2ccsc2[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)[C@@H]1O ZINC000459694295 567651338 /nfs/dbraw/zinc/65/13/38/567651338.db2.gz KZLPAWOXMRLUSU-HIFRSBDPSA-N 2 2 378.460 3.328 10 0 GGAELP C[C@H](NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000531427486 567658669 /nfs/dbraw/zinc/65/86/69/567658669.db2.gz VYFNDBKHIKIWRR-ZDUSSCGKSA-N 2 2 391.313 3.229 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313627 567671270 /nfs/dbraw/zinc/67/12/70/567671270.db2.gz SPPKIGVYFYHATD-HIFRSBDPSA-N 2 2 392.345 3.331 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313627 567671278 /nfs/dbraw/zinc/67/12/78/567671278.db2.gz SPPKIGVYFYHATD-HIFRSBDPSA-N 2 2 392.345 3.331 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705951 567674464 /nfs/dbraw/zinc/67/44/64/567674464.db2.gz DZBFKBPPKHUTOO-TZMCWYRMSA-N 2 2 388.375 3.104 10 0 GGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1C ZINC000597134504 567683559 /nfs/dbraw/zinc/68/35/59/567683559.db2.gz HIQVCRUQRTZFOL-OAHLLOKOSA-N 2 2 395.288 3.398 10 0 GGAELP Cc1[nH+]cc(C[N@H+]2CC[C@H](Cc3cccc(I)c3)C2)n1C ZINC000597134504 567683564 /nfs/dbraw/zinc/68/35/64/567683564.db2.gz HIQVCRUQRTZFOL-OAHLLOKOSA-N 2 2 395.288 3.398 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2sc(C)cc2Br)CC1 ZINC000597208756 567690249 /nfs/dbraw/zinc/69/02/49/567690249.db2.gz MYNADJAWPASBAD-UHFFFAOYSA-N 2 2 389.359 3.326 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106029 567695262 /nfs/dbraw/zinc/69/52/62/567695262.db2.gz DBDFCLRGSAGCPI-CYBMUJFWSA-N 2 2 386.323 3.117 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106029 567695265 /nfs/dbraw/zinc/69/52/65/567695265.db2.gz DBDFCLRGSAGCPI-CYBMUJFWSA-N 2 2 386.323 3.117 10 0 GGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351283 567702870 /nfs/dbraw/zinc/70/28/70/567702870.db2.gz KLQFTCGDWWFRKJ-LLVKDONJSA-N 2 2 375.826 3.364 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351283 567702874 /nfs/dbraw/zinc/70/28/74/567702874.db2.gz KLQFTCGDWWFRKJ-LLVKDONJSA-N 2 2 375.826 3.364 10 0 GGAELP Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493602 567715458 /nfs/dbraw/zinc/71/54/58/567715458.db2.gz LJRLKFXCLCYXAU-RHSMWYFYSA-N 2 2 394.357 3.325 10 0 GGAELP Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493602 567715466 /nfs/dbraw/zinc/71/54/66/567715466.db2.gz LJRLKFXCLCYXAU-RHSMWYFYSA-N 2 2 394.357 3.325 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1Br ZINC000666992492 567717246 /nfs/dbraw/zinc/71/72/46/567717246.db2.gz GNNDIDDCDCYVAF-LLVKDONJSA-N 2 2 392.135 3.452 10 0 GGAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000623883800 567743802 /nfs/dbraw/zinc/74/38/02/567743802.db2.gz MEDOSGHJHANJMD-YJBOKZPZSA-N 2 2 396.373 3.351 10 0 GGAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000623883800 567743806 /nfs/dbraw/zinc/74/38/06/567743806.db2.gz MEDOSGHJHANJMD-YJBOKZPZSA-N 2 2 396.373 3.351 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885849 567744434 /nfs/dbraw/zinc/74/44/34/567744434.db2.gz KIDYDXCATKTOMZ-OCCSQVGLSA-N 2 2 379.854 3.385 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885849 567744438 /nfs/dbraw/zinc/74/44/38/567744438.db2.gz KIDYDXCATKTOMZ-OCCSQVGLSA-N 2 2 379.854 3.385 10 0 GGAELP Brc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965776 567747702 /nfs/dbraw/zinc/74/77/02/567747702.db2.gz GOVNZVNKOBYFJP-GOSISDBHSA-N 2 2 381.314 3.186 10 0 GGAELP Brc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965776 567747706 /nfs/dbraw/zinc/74/77/06/567747706.db2.gz GOVNZVNKOBYFJP-GOSISDBHSA-N 2 2 381.314 3.186 10 0 GGAELP Brc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965779 567747766 /nfs/dbraw/zinc/74/77/66/567747766.db2.gz GOVNZVNKOBYFJP-SFHVURJKSA-N 2 2 381.314 3.186 10 0 GGAELP Brc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCCCO2 ZINC000573965779 567747769 /nfs/dbraw/zinc/74/77/69/567747769.db2.gz GOVNZVNKOBYFJP-SFHVURJKSA-N 2 2 381.314 3.186 10 0 GGAELP C[C@H](c1ccccc1Br)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099959 567751930 /nfs/dbraw/zinc/75/19/30/567751930.db2.gz HLHSMDNTJMNRRV-CQSZACIVSA-N 2 2 394.357 3.185 10 0 GGAELP C[C@H](c1ccccc1Br)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000533099959 567751933 /nfs/dbraw/zinc/75/19/33/567751933.db2.gz HLHSMDNTJMNRRV-CQSZACIVSA-N 2 2 394.357 3.185 10 0 GGAELP Cn1cc[nH+]c1CN1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667601109 567759373 /nfs/dbraw/zinc/75/93/73/567759373.db2.gz RRYWWZBYTBRDCJ-UHFFFAOYSA-N 2 2 389.297 3.247 10 0 GGAELP Brc1cnn(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667623074 567760776 /nfs/dbraw/zinc/76/07/76/567760776.db2.gz IJTAYKOURBBCGB-UHFFFAOYSA-N 2 2 387.285 3.063 10 0 GGAELP Fc1cncc(Br)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000667675182 567764509 /nfs/dbraw/zinc/76/45/09/567764509.db2.gz AEZZSOYWQXAVTK-UHFFFAOYSA-N 2 2 386.309 3.060 10 0 GGAELP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1Br ZINC000624160766 567764687 /nfs/dbraw/zinc/76/46/87/567764687.db2.gz KFJXVSWFPDTMNG-CQSZACIVSA-N 2 2 389.284 3.460 10 0 GGAELP Clc1ccc(CC[NH+]2CCN(Cc3c[nH+]c4n3CCC4)CC2)cc1Cl ZINC000667688647 567768014 /nfs/dbraw/zinc/76/80/14/567768014.db2.gz YWITWUUWDIVILN-UHFFFAOYSA-N 2 2 379.335 3.496 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902697 567805474 /nfs/dbraw/zinc/80/54/74/567805474.db2.gz BIPJQIYQXBGZBP-QAPCUYQASA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902697 567805481 /nfs/dbraw/zinc/80/54/81/567805481.db2.gz BIPJQIYQXBGZBP-QAPCUYQASA-N 2 2 384.351 3.416 10 0 GGAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901916 567805884 /nfs/dbraw/zinc/80/58/84/567805884.db2.gz XJRHYWPLFLRGNU-DOTOQJQBSA-N 2 2 384.351 3.116 10 0 GGAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901916 567805889 /nfs/dbraw/zinc/80/58/89/567805889.db2.gz XJRHYWPLFLRGNU-DOTOQJQBSA-N 2 2 384.351 3.116 10 0 GGAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901919 567805915 /nfs/dbraw/zinc/80/59/15/567805915.db2.gz XJRHYWPLFLRGNU-WBVHZDCISA-N 2 2 384.351 3.116 10 0 GGAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901919 567805919 /nfs/dbraw/zinc/80/59/19/567805919.db2.gz XJRHYWPLFLRGNU-WBVHZDCISA-N 2 2 384.351 3.116 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000647995822 567809792 /nfs/dbraw/zinc/80/97/92/567809792.db2.gz KCLKVTIUWJYWSI-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000647995822 567809795 /nfs/dbraw/zinc/80/97/95/567809795.db2.gz KCLKVTIUWJYWSI-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000647995825 567810050 /nfs/dbraw/zinc/81/00/50/567810050.db2.gz KEZXPOXFTDLFIL-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000647995825 567810053 /nfs/dbraw/zinc/81/00/53/567810053.db2.gz KEZXPOXFTDLFIL-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(Br)c1OC(F)F ZINC000668538411 567812985 /nfs/dbraw/zinc/81/29/85/567812985.db2.gz ZXJUQTROYCYIDB-UHFFFAOYSA-N 2 2 379.245 3.053 10 0 GGAELP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(Br)c1OC(F)F ZINC000668538411 567812986 /nfs/dbraw/zinc/81/29/86/567812986.db2.gz ZXJUQTROYCYIDB-UHFFFAOYSA-N 2 2 379.245 3.053 10 0 GGAELP COc1c(Br)cc(Br)cc1C[N@H+](C)CC1C[NH+](C)C1 ZINC000668538187 567813383 /nfs/dbraw/zinc/81/33/83/567813383.db2.gz VZIPSEDVONVSIO-UHFFFAOYSA-N 2 2 392.135 3.214 10 0 GGAELP COc1c(Br)cc(Br)cc1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668538187 567813386 /nfs/dbraw/zinc/81/33/86/567813386.db2.gz VZIPSEDVONVSIO-UHFFFAOYSA-N 2 2 392.135 3.214 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3cccnc3)n2)C1 ZINC000053654493 570327629 /nfs/dbraw/zinc/32/76/29/570327629.db2.gz XRSMGKPJSXSHCS-UHFFFAOYSA-N 2 2 387.447 3.092 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3cccnc3)n2)C1 ZINC000053654493 570327632 /nfs/dbraw/zinc/32/76/32/570327632.db2.gz XRSMGKPJSXSHCS-UHFFFAOYSA-N 2 2 387.447 3.092 10 0 GGAELP COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000005090400 570414915 /nfs/dbraw/zinc/41/49/15/570414915.db2.gz ILXNTVCVEYRCIO-RTBURBONSA-N 2 2 381.520 3.079 10 0 GGAELP CC[N@@H+](CC(=O)NCc1ccccc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305033 570515469 /nfs/dbraw/zinc/51/54/69/570515469.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[N@H+](CC(=O)NCc1ccccc1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305033 570515472 /nfs/dbraw/zinc/51/54/72/570515472.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[NH+](CC(=O)NCc1ccccc1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305033 570515476 /nfs/dbraw/zinc/51/54/76/570515476.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[NH+](CC(=O)NCc1ccccc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305033 570515478 /nfs/dbraw/zinc/51/54/78/570515478.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 2 379.548 3.455 10 0 GGAELP Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CC[NH+](C[C@H](O)C(C)C)CC2)c1 ZINC000036340290 570563533 /nfs/dbraw/zinc/56/35/33/570563533.db2.gz UYYAVJUWSNVTRF-QHCPKHFHSA-N 2 2 396.579 3.440 10 0 GGAELP O=C(NCC[NH+]1CCCC1)c1ccc(-c2ccc(N3CCSCC3)[nH+]c2)cc1 ZINC000065178367 570724125 /nfs/dbraw/zinc/72/41/25/570724125.db2.gz WLVGJZMRAWSVQY-UHFFFAOYSA-N 2 2 396.560 3.127 10 0 GGAELP CCN(CC)c1cc(CCC(=O)NCC[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000065270063 570772817 /nfs/dbraw/zinc/77/28/17/570772817.db2.gz CRVXWFVTUXLAKL-UHFFFAOYSA-N 2 2 380.536 3.035 10 0 GGAELP CCN(CC)c1cc(CCC(=O)NCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000065270063 570772818 /nfs/dbraw/zinc/77/28/18/570772818.db2.gz CRVXWFVTUXLAKL-UHFFFAOYSA-N 2 2 380.536 3.035 10 0 GGAELP C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000033071013 570802434 /nfs/dbraw/zinc/80/24/34/570802434.db2.gz BCWPNYSMGGQLHJ-QGZVFWFLSA-N 2 2 383.540 3.018 10 0 GGAELP C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000033071013 570802437 /nfs/dbraw/zinc/80/24/37/570802437.db2.gz BCWPNYSMGGQLHJ-QGZVFWFLSA-N 2 2 383.540 3.018 10 0 GGAELP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071785 570803139 /nfs/dbraw/zinc/80/31/39/570803139.db2.gz XVHRQSDIYHORQQ-GOSISDBHSA-N 2 2 383.540 3.162 10 0 GGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@@H](Cc3nnc[nH]3)c3ccccc3)CC2)c1 ZINC000170601645 570859864 /nfs/dbraw/zinc/85/98/64/570859864.db2.gz YLWAOTYKKUJKOV-NRFANRHFSA-N 2 2 379.483 3.482 10 0 GGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000108144661 570984631 /nfs/dbraw/zinc/98/46/31/570984631.db2.gz PQCGSWLXBDABCF-UXHICEINSA-N 2 2 394.563 3.126 10 0 GGAELP C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000108144661 570984633 /nfs/dbraw/zinc/98/46/33/570984633.db2.gz PQCGSWLXBDABCF-UXHICEINSA-N 2 2 394.563 3.126 10 0 GGAELP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000057170622 1407543001 /nfs/dbraw/zinc/54/30/01/1407543001.db2.gz BSEBCFQSLNVGSD-IBGZPJMESA-N 2 2 391.918 3.077 10 0 GGAELP CC(C)Oc1ccccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065014138 1408636000 /nfs/dbraw/zinc/63/60/00/1408636000.db2.gz AUUWOANXXBQCEA-UHFFFAOYSA-N 2 2 384.520 3.475 10 0 GGAELP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000066973298 1408969373 /nfs/dbraw/zinc/96/93/73/1408969373.db2.gz AIXHIEWITNIPAB-UHFFFAOYSA-N 2 2 377.536 3.001 10 0 GGAELP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000067449084 1409121889 /nfs/dbraw/zinc/12/18/89/1409121889.db2.gz HBMHPUOJKFUXOJ-UHFFFAOYSA-N 2 2 395.334 3.439 10 0 GGAELP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H](c3cccnc3)[NH+](C)C)cc2)CC1 ZINC000078986560 1409948332 /nfs/dbraw/zinc/94/83/32/1409948332.db2.gz LMIXXFZCHYDUKT-JOCHJYFZSA-N 2 2 395.551 3.101 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000079761704 1409987930 /nfs/dbraw/zinc/98/79/30/1409987930.db2.gz HQQDFLMDTLSJEY-HUUCEWRRSA-N 2 2 376.932 3.281 10 0 GGAELP Cc1oc2c(c1C(=O)NC1CC[NH+](C)CC1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000105047632 1411021040 /nfs/dbraw/zinc/02/10/40/1411021040.db2.gz AQGHQMRETUGRSF-UHFFFAOYSA-N 2 2 385.483 3.109 10 0 GGAELP Cc1oc2c(c1C(=O)NC1CC[NH+](C)CC1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000105047632 1411021048 /nfs/dbraw/zinc/02/10/48/1411021048.db2.gz AQGHQMRETUGRSF-UHFFFAOYSA-N 2 2 385.483 3.109 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107781117 1411410791 /nfs/dbraw/zinc/41/07/91/1411410791.db2.gz HITXMYGIVBZYSA-PKTZIBPZSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107781117 1411410801 /nfs/dbraw/zinc/41/08/01/1411410801.db2.gz HITXMYGIVBZYSA-PKTZIBPZSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795375 1411811168 /nfs/dbraw/zinc/81/11/68/1411811168.db2.gz GKRLYZZIUDSXKS-SFHVURJKSA-N 2 2 392.507 3.350 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000116336260 1412851117 /nfs/dbraw/zinc/85/11/17/1412851117.db2.gz FJXQXQOPTKDEBS-HNNXBMFYSA-N 2 2 376.932 3.146 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000116336260 1412851120 /nfs/dbraw/zinc/85/11/20/1412851120.db2.gz FJXQXQOPTKDEBS-HNNXBMFYSA-N 2 2 376.932 3.146 10 0 GGAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000120217987 1413736099 /nfs/dbraw/zinc/73/60/99/1413736099.db2.gz GQOOBVDTDLJVMK-NVXWUHKLSA-N 2 2 383.521 3.429 10 0 GGAELP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000120217987 1413736113 /nfs/dbraw/zinc/73/61/13/1413736113.db2.gz GQOOBVDTDLJVMK-NVXWUHKLSA-N 2 2 383.521 3.429 10 0 GGAELP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)CCO1 ZINC000121687607 1414223896 /nfs/dbraw/zinc/22/38/96/1414223896.db2.gz GICCPFSAZFVREG-INIZCTEOSA-N 2 2 384.911 3.498 10 0 GGAELP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)CCO1 ZINC000121687607 1414223900 /nfs/dbraw/zinc/22/39/00/1414223900.db2.gz GICCPFSAZFVREG-INIZCTEOSA-N 2 2 384.911 3.498 10 0 GGAELP C[NH+]1CCN(c2cc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)ccn2)CC1 ZINC000126068578 1415349911 /nfs/dbraw/zinc/34/99/11/1415349911.db2.gz HMTFUGLEPPQPSO-UHFFFAOYSA-N 2 2 397.523 3.386 10 0 GGAELP CC(C)Oc1ccccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000126763671 1415552302 /nfs/dbraw/zinc/55/23/02/1415552302.db2.gz CKHBABOXQVKQQI-UHFFFAOYSA-N 2 2 384.520 3.475 10 0 GGAELP O=C(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128757014 1416060166 /nfs/dbraw/zinc/06/01/66/1416060166.db2.gz AMRBPNWBXVEDQR-FCHUYYIVSA-N 2 2 392.547 3.121 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129559353 1416228470 /nfs/dbraw/zinc/22/84/70/1416228470.db2.gz HNTKVMPZFJGQKY-RXVVDRJESA-N 2 2 381.524 3.395 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129559353 1416228477 /nfs/dbraw/zinc/22/84/77/1416228477.db2.gz HNTKVMPZFJGQKY-RXVVDRJESA-N 2 2 381.524 3.395 10 0 GGAELP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129753062 1416258093 /nfs/dbraw/zinc/25/80/93/1416258093.db2.gz DMFSSDZEIXCDQJ-NQIIRXRSSA-N 2 2 384.524 3.007 10 0 GGAELP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129753062 1416258098 /nfs/dbraw/zinc/25/80/98/1416258098.db2.gz DMFSSDZEIXCDQJ-NQIIRXRSSA-N 2 2 384.524 3.007 10 0 GGAELP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129753267 1416258610 /nfs/dbraw/zinc/25/86/10/1416258610.db2.gz DMFSSDZEIXCDQJ-RXVVDRJESA-N 2 2 384.524 3.007 10 0 GGAELP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000129753267 1416258617 /nfs/dbraw/zinc/25/86/17/1416258617.db2.gz DMFSSDZEIXCDQJ-RXVVDRJESA-N 2 2 384.524 3.007 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000131010282 1416495730 /nfs/dbraw/zinc/49/57/30/1416495730.db2.gz CTJYJLKQVZUVEY-INIZCTEOSA-N 2 2 385.508 3.423 10 0 GGAELP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccc(F)cc3F)C(C)(C)C)cn2)CC1 ZINC000134410908 1417066514 /nfs/dbraw/zinc/06/65/14/1417066514.db2.gz FBCVABATMAOLEQ-LJQANCHMSA-N 2 2 389.494 3.384 10 0 GGAELP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000134412727 1417066725 /nfs/dbraw/zinc/06/67/25/1417066725.db2.gz DGQXHNDYCWVZBJ-MRXNPFEDSA-N 2 2 399.514 3.007 10 0 GGAELP Fc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(Cl)c1 ZINC000135965047 1417282322 /nfs/dbraw/zinc/28/23/22/1417282322.db2.gz HBEGUDCDQSVXLB-UHFFFAOYSA-N 2 2 378.875 3.480 10 0 GGAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000136576451 1417328251 /nfs/dbraw/zinc/32/82/51/1417328251.db2.gz AQHYHKDTPREMIT-ZWKOTPCHSA-N 2 2 385.321 3.446 10 0 GGAELP Fc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c2ncccc12 ZINC000151471633 1417988835 /nfs/dbraw/zinc/98/88/35/1417988835.db2.gz ATIXMVYFDCNWLH-UHFFFAOYSA-N 2 2 395.478 3.375 10 0 GGAELP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCCC1 ZINC000151974128 1418109794 /nfs/dbraw/zinc/10/97/94/1418109794.db2.gz AXWQZUDBEAJUGR-YZGWKJHDSA-N 2 2 375.561 3.376 10 0 GGAELP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)CC2)CC1 ZINC000152709182 1422218491 /nfs/dbraw/zinc/21/84/91/1422218491.db2.gz FWDXOETUISWVHG-GZNCHQMQSA-N 2 2 386.540 3.287 10 0 GGAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153835283 1422789500 /nfs/dbraw/zinc/78/95/00/1422789500.db2.gz DCLRMSKKQZSIJT-OAQYLSRUSA-N 2 2 380.492 3.040 10 0 GGAELP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338352 1423323458 /nfs/dbraw/zinc/32/34/58/1423323458.db2.gz AQRQIZKZIZMBED-DOTOQJQBSA-N 2 2 379.570 3.010 10 0 GGAELP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338352 1423323473 /nfs/dbraw/zinc/32/34/73/1423323473.db2.gz AQRQIZKZIZMBED-DOTOQJQBSA-N 2 2 379.570 3.010 10 0 GGAELP COc1cc(Cl)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1Cl ZINC000156975095 1423895741 /nfs/dbraw/zinc/89/57/41/1423895741.db2.gz CKVHINPWYDKWJT-UHFFFAOYSA-N 2 2 395.334 3.439 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159018592 1424397095 /nfs/dbraw/zinc/39/70/95/1424397095.db2.gz GDDIUKQFKOCAKR-QAPCUYQASA-N 2 2 392.450 3.026 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159018592 1424397105 /nfs/dbraw/zinc/39/71/05/1424397105.db2.gz GDDIUKQFKOCAKR-QAPCUYQASA-N 2 2 392.450 3.026 10 0 GGAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H](CN3CCOCC3)c3ccccc3)CC2)cc1 ZINC000163691927 1425034833 /nfs/dbraw/zinc/03/48/33/1425034833.db2.gz BRGHNMSWPDXHMU-VWLOTQADSA-N 2 2 393.575 3.357 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000171521913 1425713877 /nfs/dbraw/zinc/71/38/77/1425713877.db2.gz WRVLUJFRRXDHSU-AWEZNQCLSA-N 2 2 399.520 3.339 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000171521913 1425713890 /nfs/dbraw/zinc/71/38/90/1425713890.db2.gz WRVLUJFRRXDHSU-AWEZNQCLSA-N 2 2 399.520 3.339 10 0 GGAELP C[C@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181151521 1430228329 /nfs/dbraw/zinc/22/83/29/1430228329.db2.gz DDZJMQWPDFIYAG-KRWDZBQOSA-N 2 2 376.460 3.339 10 0 GGAELP CC[C@@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346784 1430875928 /nfs/dbraw/zinc/87/59/28/1430875928.db2.gz DJUNIBGCGBNIAG-BHIYHBOVSA-N 2 2 386.565 3.271 10 0 GGAELP CC[C@@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346784 1430875929 /nfs/dbraw/zinc/87/59/29/1430875929.db2.gz DJUNIBGCGBNIAG-BHIYHBOVSA-N 2 2 386.565 3.271 10 0 GGAELP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000185272572 1431097801 /nfs/dbraw/zinc/09/78/01/1431097801.db2.gz CHIFMLQJYJSGHT-LAUBAEHRSA-N 2 2 386.511 3.022 10 0 GGAELP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000185272572 1431097806 /nfs/dbraw/zinc/09/78/06/1431097806.db2.gz CHIFMLQJYJSGHT-LAUBAEHRSA-N 2 2 386.511 3.022 10 0 GGAELP Cc1cc(C)c(N2CC[C@@H]([NH+]3CCC(Cc4[nH+]ccn4C)CC3)C2=O)c(C)c1 ZINC000190525939 1432397997 /nfs/dbraw/zinc/39/79/97/1432397997.db2.gz VTPWFQSSYRVNPH-HXUWFJFHSA-N 2 2 380.536 3.405 10 0 GGAELP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000195191441 1433305362 /nfs/dbraw/zinc/30/53/62/1433305362.db2.gz ZSCKAXNOHCIWOG-QFIPXVFZSA-N 2 2 388.556 3.283 10 0 GGAELP COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000237204388 1433392594 /nfs/dbraw/zinc/39/25/94/1433392594.db2.gz GOGRHACESMCQAL-FGZHOGPDSA-N 2 2 393.531 3.053 10 0 GGAELP CN(C(=O)[C@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627438 1433492529 /nfs/dbraw/zinc/49/25/29/1433492529.db2.gz CNDONKNTIJRKCS-CEMLEFRQSA-N 2 2 399.579 3.033 10 0 GGAELP CN(C(=O)[C@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627438 1433492530 /nfs/dbraw/zinc/49/25/30/1433492530.db2.gz CNDONKNTIJRKCS-CEMLEFRQSA-N 2 2 399.579 3.033 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000245904767 1433539050 /nfs/dbraw/zinc/53/90/50/1433539050.db2.gz HITXMYGIVBZYSA-GOTSBHOMSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000245904767 1433539054 /nfs/dbraw/zinc/53/90/54/1433539054.db2.gz HITXMYGIVBZYSA-GOTSBHOMSA-N 2 2 379.548 3.428 10 0 GGAELP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)[C@@H]1CCCc2ccccc21 ZINC000246126486 1433572009 /nfs/dbraw/zinc/57/20/09/1433572009.db2.gz LVLBREYSOIIBJK-GHTZIAJQSA-N 2 2 378.520 3.351 10 0 GGAELP CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)[C@@H]1CCCc2ccccc21 ZINC000246126486 1433572011 /nfs/dbraw/zinc/57/20/11/1433572011.db2.gz LVLBREYSOIIBJK-GHTZIAJQSA-N 2 2 378.520 3.351 10 0 GGAELP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246409166 1433608858 /nfs/dbraw/zinc/60/88/58/1433608858.db2.gz BYCSFFDNQWZEDF-TYCQWZJGSA-N 2 2 388.471 3.251 10 0 GGAELP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246409166 1433608862 /nfs/dbraw/zinc/60/88/62/1433608862.db2.gz BYCSFFDNQWZEDF-TYCQWZJGSA-N 2 2 388.471 3.251 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512809 1433623800 /nfs/dbraw/zinc/62/38/00/1433623800.db2.gz IBYIPPAROZOVNW-JLSDUUJJSA-N 2 2 386.883 3.060 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512809 1433623801 /nfs/dbraw/zinc/62/38/01/1433623801.db2.gz IBYIPPAROZOVNW-JLSDUUJJSA-N 2 2 386.883 3.060 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000246924239 1433687802 /nfs/dbraw/zinc/68/78/02/1433687802.db2.gz BSDURJYCWWXUGE-UCNVEGJOSA-N 2 2 384.524 3.288 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000246924239 1433687805 /nfs/dbraw/zinc/68/78/05/1433687805.db2.gz BSDURJYCWWXUGE-UCNVEGJOSA-N 2 2 384.524 3.288 10 0 GGAELP COc1ccc(C[N@@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cc1Cn1cc[nH+]c1 ZINC000257175503 1433893376 /nfs/dbraw/zinc/89/33/76/1433893376.db2.gz AZQPANJRGOWKLI-RTWAWAEBSA-N 2 2 396.535 3.211 10 0 GGAELP COc1ccc(C[N@H+]2CCCCCNC(=O)[C@@H]3CCC[C@@H]32)cc1Cn1cc[nH+]c1 ZINC000257175503 1433893378 /nfs/dbraw/zinc/89/33/78/1433893378.db2.gz AZQPANJRGOWKLI-RTWAWAEBSA-N 2 2 396.535 3.211 10 0 GGAELP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000275200377 1435122467 /nfs/dbraw/zinc/12/24/67/1435122467.db2.gz GRXXLCQUKBJKBS-CRAIPNDOSA-N 2 2 396.938 3.209 10 0 GGAELP C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473839756 1126200038 /nfs/dbraw/zinc/20/00/38/1126200038.db2.gz IXFQLPQRHOPKJG-JOCHJYFZSA-N 2 2 388.939 3.256 10 0 GGAELP O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811500 210013085 /nfs/dbraw/zinc/01/30/85/210013085.db2.gz FNVCHDXPNYSLNN-QGZVFWFLSA-N 2 2 383.458 3.042 10 0 GGAELP O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811500 210013089 /nfs/dbraw/zinc/01/30/89/210013089.db2.gz FNVCHDXPNYSLNN-QGZVFWFLSA-N 2 2 383.458 3.042 10 0 GGAELP O=C(/C=C\c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000096861335 211349640 /nfs/dbraw/zinc/34/96/40/211349640.db2.gz HLXUCDCRCVECJH-YVMONPNESA-N 2 2 378.501 3.291 10 0 GGAELP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000095986460 211292944 /nfs/dbraw/zinc/29/29/44/211292944.db2.gz SJRQXUMPXCMFDE-FXAWDEMLSA-N 2 2 383.517 3.156 10 0 GGAELP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2oc3ccccc3c2C)c(C)[nH+]1 ZINC000072125699 211071343 /nfs/dbraw/zinc/07/13/43/211071343.db2.gz ZWBZRJXKWGKCNF-IRXDYDNUSA-N 2 2 380.492 3.297 10 0 GGAELP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2oc3ccccc3c2C)c(C)[nH+]1 ZINC000072125699 211071350 /nfs/dbraw/zinc/07/13/50/211071350.db2.gz ZWBZRJXKWGKCNF-IRXDYDNUSA-N 2 2 380.492 3.297 10 0 GGAELP CC(C)[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)CCC[NH+]1CC1CC1 ZINC000071589777 211048629 /nfs/dbraw/zinc/04/86/29/211048629.db2.gz JSOLLLFVIVBXEU-QFIPXVFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@@H]1C[N@H+](C2CCN(C(=O)c3cccnc3)CC2)CCC[NH+]1CC1CC1 ZINC000071589777 211048634 /nfs/dbraw/zinc/04/86/34/211048634.db2.gz JSOLLLFVIVBXEU-QFIPXVFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@@H]1C[NH+](C2CCN(C(=O)c3cccnc3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071589777 211048635 /nfs/dbraw/zinc/04/86/35/211048635.db2.gz JSOLLLFVIVBXEU-QFIPXVFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@@H]1C[NH+](C2CCN(C(=O)c3cccnc3)CC2)CCC[N@H+]1CC1CC1 ZINC000071589777 211048641 /nfs/dbraw/zinc/04/86/41/211048641.db2.gz JSOLLLFVIVBXEU-QFIPXVFZSA-N 2 2 384.568 3.129 10 0 GGAELP O=C(c1cccc2[nH]cc(C[NH+]3CCCC3)c21)N1CCN(c2cccc[nH+]2)CC1 ZINC000065135808 136159535 /nfs/dbraw/zinc/15/95/35/136159535.db2.gz XJSQAKNANZZUIF-UHFFFAOYSA-N 2 2 389.503 3.121 10 0 GGAELP COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(c3[nH+]cnc4[nH]ccc43)C1)CC2 ZINC000072149037 136167104 /nfs/dbraw/zinc/16/71/04/136167104.db2.gz VIPJENVMOJBLCL-QGZVFWFLSA-N 2 2 393.491 3.002 10 0 GGAELP COc1cc2c(cc1OC)C[N@H+]([C@@H]1CCCN(c3[nH+]cnc4[nH]ccc43)C1)CC2 ZINC000072149037 136167105 /nfs/dbraw/zinc/16/71/05/136167105.db2.gz VIPJENVMOJBLCL-QGZVFWFLSA-N 2 2 393.491 3.002 10 0 GGAELP C[NH+](C)[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccsc1 ZINC000048486219 564541422 /nfs/dbraw/zinc/54/14/22/564541422.db2.gz CYRQRNJHPPBQRD-OAHLLOKOSA-N 2 2 377.901 3.151 10 0 GGAELP O=C(C[N@@H+]1CCCSCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000129274382 564643863 /nfs/dbraw/zinc/64/38/63/564643863.db2.gz HEICOELSRBPLIS-SFHVURJKSA-N 2 2 381.973 3.032 10 0 GGAELP O=C(C[N@H+]1CCCSCC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000129274382 564643866 /nfs/dbraw/zinc/64/38/66/564643866.db2.gz HEICOELSRBPLIS-SFHVURJKSA-N 2 2 381.973 3.032 10 0 GGAELP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000057847112 564676619 /nfs/dbraw/zinc/67/66/19/564676619.db2.gz OJPJVLDMROMIJC-UHFFFAOYSA-N 2 2 382.346 3.441 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCO2 ZINC000131871908 564727015 /nfs/dbraw/zinc/72/70/15/564727015.db2.gz DJTXZYVYLXKNCL-CQSZACIVSA-N 2 2 377.238 3.226 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCO2 ZINC000131871908 564727020 /nfs/dbraw/zinc/72/70/20/564727020.db2.gz DJTXZYVYLXKNCL-CQSZACIVSA-N 2 2 377.238 3.226 10 0 GGAELP O[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281264 564913288 /nfs/dbraw/zinc/91/32/88/564913288.db2.gz BTENYRKOSHBBTK-RHSMWYFYSA-N 2 2 383.330 3.099 10 0 GGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281131 564913474 /nfs/dbraw/zinc/91/34/74/564913474.db2.gz BTENYRKOSHBBTK-WMLDXEAASA-N 2 2 383.330 3.099 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000106164809 564979427 /nfs/dbraw/zinc/97/94/27/564979427.db2.gz SMSPWRNXBBWSND-UHFFFAOYSA-N 2 2 391.313 3.076 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000106214849 564980205 /nfs/dbraw/zinc/98/02/05/564980205.db2.gz LHXMKCVTQFUQRV-AWEZNQCLSA-N 2 2 391.313 3.484 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000106214849 564980207 /nfs/dbraw/zinc/98/02/07/564980207.db2.gz LHXMKCVTQFUQRV-AWEZNQCLSA-N 2 2 391.313 3.484 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000110430408 565041009 /nfs/dbraw/zinc/04/10/09/565041009.db2.gz AIONCVBETCSZMR-MRXNPFEDSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000110430408 565041012 /nfs/dbraw/zinc/04/10/12/565041012.db2.gz AIONCVBETCSZMR-MRXNPFEDSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1cc(Br)cs1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110430408 565041014 /nfs/dbraw/zinc/04/10/14/565041014.db2.gz AIONCVBETCSZMR-MRXNPFEDSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1cc(Br)cs1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000110430408 565041015 /nfs/dbraw/zinc/04/10/15/565041015.db2.gz AIONCVBETCSZMR-MRXNPFEDSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000110430405 565041046 /nfs/dbraw/zinc/04/10/46/565041046.db2.gz AIONCVBETCSZMR-INIZCTEOSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1cc(Br)cs1 ZINC000110430405 565041050 /nfs/dbraw/zinc/04/10/50/565041050.db2.gz AIONCVBETCSZMR-INIZCTEOSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1cc(Br)cs1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000110430405 565041052 /nfs/dbraw/zinc/04/10/52/565041052.db2.gz AIONCVBETCSZMR-INIZCTEOSA-N 2 2 383.355 3.435 10 0 GGAELP C[NH+](Cc1cc(Br)cs1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000110430405 565041053 /nfs/dbraw/zinc/04/10/53/565041053.db2.gz AIONCVBETCSZMR-INIZCTEOSA-N 2 2 383.355 3.435 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231352 565051278 /nfs/dbraw/zinc/05/12/78/565051278.db2.gz GTMWPPBMBCRSLP-QGZVFWFLSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231352 565051282 /nfs/dbraw/zinc/05/12/82/565051282.db2.gz GTMWPPBMBCRSLP-QGZVFWFLSA-N 2 2 386.367 3.474 10 0 GGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccccc1Br ZINC000369341831 565087843 /nfs/dbraw/zinc/08/78/43/565087843.db2.gz FXDINIAUMJDPDE-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP C[C@@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1F ZINC000292670925 565127669 /nfs/dbraw/zinc/12/76/69/565127669.db2.gz BDVVXFYGWVOBHM-QGZVFWFLSA-N 2 2 382.277 3.398 10 0 GGAELP Cc1nn(C)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Br ZINC000370148621 565130541 /nfs/dbraw/zinc/13/05/41/565130541.db2.gz BOSUEWMVLGPHHY-AWEZNQCLSA-N 2 2 392.345 3.403 10 0 GGAELP Cc1nn(C)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1Br ZINC000370148621 565130543 /nfs/dbraw/zinc/13/05/43/565130543.db2.gz BOSUEWMVLGPHHY-AWEZNQCLSA-N 2 2 392.345 3.403 10 0 GGAELP C[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1F ZINC000292765305 565133417 /nfs/dbraw/zinc/13/34/17/565133417.db2.gz JEPOINUHYJGSRL-QGZVFWFLSA-N 2 2 382.277 3.329 10 0 GGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1cccc(Br)c1 ZINC000374199374 565325305 /nfs/dbraw/zinc/32/53/05/565325305.db2.gz HFAYLDGKBANUAA-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP C[C@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Br)cc1 ZINC000374198563 565325392 /nfs/dbraw/zinc/32/53/92/565325392.db2.gz OQTOEFNYQOFWTD-ZDUSSCGKSA-N 2 2 391.313 3.229 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210882 565325658 /nfs/dbraw/zinc/32/56/58/565325658.db2.gz WYVNACREBHBLAN-GFCCVEGCSA-N 2 2 377.286 3.379 10 0 GGAELP C[N@H+](Cc1csc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942226 565399556 /nfs/dbraw/zinc/39/95/56/565399556.db2.gz JLBBZIQGDYBHFG-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP C[N@@H+](Cc1csc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942226 565399558 /nfs/dbraw/zinc/39/95/58/565399558.db2.gz JLBBZIQGDYBHFG-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188402858 565399650 /nfs/dbraw/zinc/39/96/50/565399650.db2.gz MXTYAYCOGXELOR-GOSISDBHSA-N 2 2 386.297 3.496 10 0 GGAELP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188402858 565399654 /nfs/dbraw/zinc/39/96/54/565399654.db2.gz MXTYAYCOGXELOR-GOSISDBHSA-N 2 2 386.297 3.496 10 0 GGAELP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188402884 565399796 /nfs/dbraw/zinc/39/97/96/565399796.db2.gz MXTYAYCOGXELOR-SFHVURJKSA-N 2 2 386.297 3.496 10 0 GGAELP Brc1ccc(-n2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cn2)cc1 ZINC000188402884 565399800 /nfs/dbraw/zinc/39/98/00/565399800.db2.gz MXTYAYCOGXELOR-SFHVURJKSA-N 2 2 386.297 3.496 10 0 GGAELP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000298236096 565406460 /nfs/dbraw/zinc/40/64/60/565406460.db2.gz BVRVQAOEZUYIJH-UHFFFAOYSA-N 2 2 391.313 3.076 10 0 GGAELP C[NH+](C)C1CC[NH+](CCNc2ccc3cccc(Br)c3n2)CC1 ZINC000301629779 565501163 /nfs/dbraw/zinc/50/11/63/565501163.db2.gz AZUDYAYGMWDSNI-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000382028646 565541320 /nfs/dbraw/zinc/54/13/20/565541320.db2.gz CHHBDNQGFYAKPB-MRXNPFEDSA-N 2 2 377.330 3.184 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000382028646 565541325 /nfs/dbraw/zinc/54/13/25/565541325.db2.gz CHHBDNQGFYAKPB-MRXNPFEDSA-N 2 2 377.330 3.184 10 0 GGAELP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278306179 565550850 /nfs/dbraw/zinc/55/08/50/565550850.db2.gz CYTJUAAWQJBGPC-UHFFFAOYSA-N 2 2 377.330 3.245 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139321 565560086 /nfs/dbraw/zinc/56/00/86/565560086.db2.gz QRRXURDPUGLOMA-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139321 565560092 /nfs/dbraw/zinc/56/00/92/565560092.db2.gz QRRXURDPUGLOMA-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408257779 565601001 /nfs/dbraw/zinc/60/10/01/565601001.db2.gz VVVVXDZXZCTGEU-LBPRGKRZSA-N 2 2 386.327 3.021 10 0 GGAELP C[C@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408257779 565601004 /nfs/dbraw/zinc/60/10/04/565601004.db2.gz VVVVXDZXZCTGEU-LBPRGKRZSA-N 2 2 386.327 3.021 10 0 GGAELP C[NH+]1CCC(CNC(=O)NCc2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000174001797 565605010 /nfs/dbraw/zinc/60/50/10/565605010.db2.gz QFABPXKDZJLXQI-UHFFFAOYSA-N 2 2 384.977 3.151 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293477 565605893 /nfs/dbraw/zinc/60/58/93/565605893.db2.gz KTWUEWFJWCTJJR-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321293477 565605897 /nfs/dbraw/zinc/60/58/97/565605897.db2.gz KTWUEWFJWCTJJR-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827378 565607162 /nfs/dbraw/zinc/60/71/62/565607162.db2.gz BQKYAKRTTIIXMK-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827378 565607166 /nfs/dbraw/zinc/60/71/66/565607166.db2.gz BQKYAKRTTIIXMK-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827378 565607171 /nfs/dbraw/zinc/60/71/71/565607171.db2.gz BQKYAKRTTIIXMK-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(Br)c1O ZINC000321827378 565607176 /nfs/dbraw/zinc/60/71/76/565607176.db2.gz BQKYAKRTTIIXMK-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955699 565608217 /nfs/dbraw/zinc/60/82/17/565608217.db2.gz HSMITTXHVFFVGX-BBRMVZONSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955699 565608224 /nfs/dbraw/zinc/60/82/24/565608224.db2.gz HSMITTXHVFFVGX-BBRMVZONSA-N 2 2 383.330 3.430 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156556 565616997 /nfs/dbraw/zinc/61/69/97/565616997.db2.gz AJDOGNZGDRIWFY-HOCLYGCPSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156556 565617000 /nfs/dbraw/zinc/61/70/00/565617000.db2.gz AJDOGNZGDRIWFY-HOCLYGCPSA-N 2 2 391.313 3.463 10 0 GGAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595745 565618980 /nfs/dbraw/zinc/61/89/80/565618980.db2.gz FUZCMKLPHAIIIZ-LESCRADOSA-N 2 2 394.357 3.090 10 0 GGAELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595745 565618984 /nfs/dbraw/zinc/61/89/84/565618984.db2.gz FUZCMKLPHAIIIZ-LESCRADOSA-N 2 2 394.357 3.090 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657498 /nfs/dbraw/zinc/65/74/98/565657498.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657500 /nfs/dbraw/zinc/65/75/00/565657500.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657502 /nfs/dbraw/zinc/65/75/02/565657502.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657504 /nfs/dbraw/zinc/65/75/04/565657504.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657755 /nfs/dbraw/zinc/65/77/55/565657755.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657760 /nfs/dbraw/zinc/65/77/60/565657760.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657762 /nfs/dbraw/zinc/65/77/62/565657762.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657768 /nfs/dbraw/zinc/65/77/68/565657768.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000174903629 565665891 /nfs/dbraw/zinc/66/58/91/565665891.db2.gz ZOCBWBGDXLCCBF-SFHVURJKSA-N 2 2 376.595 3.474 10 0 GGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000174903629 565665897 /nfs/dbraw/zinc/66/58/97/565665897.db2.gz ZOCBWBGDXLCCBF-SFHVURJKSA-N 2 2 376.595 3.474 10 0 GGAELP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333647142 565889904 /nfs/dbraw/zinc/88/99/04/565889904.db2.gz JWZNBGOAMXVOPZ-CHWSQXEVSA-N 2 2 396.333 3.001 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000414071392 565891982 /nfs/dbraw/zinc/89/19/82/565891982.db2.gz LSLHFBKMQVGYPV-CYBMUJFWSA-N 2 2 389.297 3.098 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285848 565910799 /nfs/dbraw/zinc/91/07/99/565910799.db2.gz SSWARQJNBDKYHL-CVEARBPZSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285848 565910806 /nfs/dbraw/zinc/91/08/06/565910806.db2.gz SSWARQJNBDKYHL-CVEARBPZSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000178290265 565910950 /nfs/dbraw/zinc/91/09/50/565910950.db2.gz FCHUMQWQJDVLMQ-AWEZNQCLSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000178290265 565910954 /nfs/dbraw/zinc/91/09/54/565910954.db2.gz FCHUMQWQJDVLMQ-AWEZNQCLSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000178301869 565912539 /nfs/dbraw/zinc/91/25/39/565912539.db2.gz OXXKXEDXDADJJL-AWEZNQCLSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000178301869 565912545 /nfs/dbraw/zinc/91/25/45/565912545.db2.gz OXXKXEDXDADJJL-AWEZNQCLSA-N 2 2 378.270 3.347 10 0 GGAELP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000414375175 565918435 /nfs/dbraw/zinc/91/84/35/565918435.db2.gz DWTRDSJPUDCLTC-IBGZPJMESA-N 2 2 390.325 3.132 10 0 GGAELP OC1CC[NH+](CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178520509 565923363 /nfs/dbraw/zinc/92/33/63/565923363.db2.gz LVXYCTNNKXUSOP-QGZVFWFLSA-N 2 2 383.330 3.099 10 0 GGAELP O[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517896 565923566 /nfs/dbraw/zinc/92/35/66/565923566.db2.gz GQIKFFZTGDEWDR-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237087266 565950599 /nfs/dbraw/zinc/95/05/99/565950599.db2.gz SCWZGPLSUZFRNV-CQSZACIVSA-N 2 2 393.272 3.251 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237087266 565950605 /nfs/dbraw/zinc/95/06/05/565950605.db2.gz SCWZGPLSUZFRNV-CQSZACIVSA-N 2 2 393.272 3.251 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237093549 565950675 /nfs/dbraw/zinc/95/06/75/565950675.db2.gz SCWZGPLSUZFRNV-AWEZNQCLSA-N 2 2 393.272 3.251 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000237093549 565950679 /nfs/dbraw/zinc/95/06/79/565950679.db2.gz SCWZGPLSUZFRNV-AWEZNQCLSA-N 2 2 393.272 3.251 10 0 GGAELP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(Br)c1O ZINC000237363743 565957973 /nfs/dbraw/zinc/95/79/73/565957973.db2.gz BTMCJMDECOLLFJ-UHFFFAOYSA-N 2 2 392.297 3.317 10 0 GGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414744956 565958065 /nfs/dbraw/zinc/95/80/65/565958065.db2.gz KBEHTJFFZIHAGU-INIZCTEOSA-N 2 2 382.346 3.473 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825496 565962533 /nfs/dbraw/zinc/96/25/33/565962533.db2.gz CICIZKZVOUDGCM-GUYCJALGSA-N 2 2 376.298 3.456 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414833037 565962719 /nfs/dbraw/zinc/96/27/19/565962719.db2.gz OZFIDYREFHDVFY-SUMWQHHRSA-N 2 2 376.298 3.456 10 0 GGAELP COc1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc(Br)c1OC(F)F ZINC000414910950 565965613 /nfs/dbraw/zinc/96/56/13/565965613.db2.gz CXNNXPGQPOAUTE-SKDRFNHKSA-N 2 2 379.245 3.147 10 0 GGAELP Brc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035712 565970411 /nfs/dbraw/zinc/97/04/11/565970411.db2.gz FEAXBHKUHABNBQ-HOCLYGCPSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035712 565970416 /nfs/dbraw/zinc/97/04/16/565970416.db2.gz FEAXBHKUHABNBQ-HOCLYGCPSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1ccc(-c2ncc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415032770 565970755 /nfs/dbraw/zinc/97/07/55/565970755.db2.gz GPBJAIYRNSQHIN-AWEZNQCLSA-N 2 2 382.327 3.041 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c[nH+]c12 ZINC000415052752 565971805 /nfs/dbraw/zinc/97/18/05/565971805.db2.gz NPXLAKLVNGDMEV-PBHICJAKSA-N 2 2 377.330 3.369 10 0 GGAELP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415056032 565972195 /nfs/dbraw/zinc/97/21/95/565972195.db2.gz PBWHCDGUWFYUFT-QLJPJBMISA-N 2 2 393.272 3.476 10 0 GGAELP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415056032 565972198 /nfs/dbraw/zinc/97/21/98/565972198.db2.gz PBWHCDGUWFYUFT-QLJPJBMISA-N 2 2 393.272 3.476 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988486 /nfs/dbraw/zinc/98/84/86/565988486.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988489 /nfs/dbraw/zinc/98/84/89/565988489.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988493 /nfs/dbraw/zinc/98/84/93/565988493.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988495 /nfs/dbraw/zinc/98/84/95/565988495.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438011 565990593 /nfs/dbraw/zinc/99/05/93/565990593.db2.gz RYIKSJHQBNTAKC-BBRMVZONSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438011 565990597 /nfs/dbraw/zinc/99/05/97/565990597.db2.gz RYIKSJHQBNTAKC-BBRMVZONSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438011 565990600 /nfs/dbraw/zinc/99/06/00/565990600.db2.gz RYIKSJHQBNTAKC-BBRMVZONSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438011 565990602 /nfs/dbraw/zinc/99/06/02/565990602.db2.gz RYIKSJHQBNTAKC-BBRMVZONSA-N 2 2 383.330 3.382 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614176 565998603 /nfs/dbraw/zinc/99/86/03/565998603.db2.gz CLUINTGQHDSLSZ-VQIMIIECSA-N 2 2 386.367 3.129 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614176 565998608 /nfs/dbraw/zinc/99/86/08/565998608.db2.gz CLUINTGQHDSLSZ-VQIMIIECSA-N 2 2 386.367 3.129 10 0 GGAELP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246525247 566032956 /nfs/dbraw/zinc/03/29/56/566032956.db2.gz KVVQECNPMNGSTJ-QAPCUYQASA-N 2 2 394.357 3.044 10 0 GGAELP CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246525247 566032958 /nfs/dbraw/zinc/03/29/58/566032958.db2.gz KVVQECNPMNGSTJ-QAPCUYQASA-N 2 2 394.357 3.044 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000180124605 566035078 /nfs/dbraw/zinc/03/50/78/566035078.db2.gz ZDZRXOPCHSKHTI-HNNXBMFYSA-N 2 2 392.297 3.390 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(Br)c2c(c1)OCCO2 ZINC000180124605 566035082 /nfs/dbraw/zinc/03/50/82/566035082.db2.gz ZDZRXOPCHSKHTI-HNNXBMFYSA-N 2 2 392.297 3.390 10 0 GGAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970488 566068949 /nfs/dbraw/zinc/06/89/49/566068949.db2.gz HGNBHXMGGAGPOE-XJKSGUPXSA-N 2 2 391.313 3.415 10 0 GGAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970488 566068954 /nfs/dbraw/zinc/06/89/54/566068954.db2.gz HGNBHXMGGAGPOE-XJKSGUPXSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970488 566068957 /nfs/dbraw/zinc/06/89/57/566068957.db2.gz HGNBHXMGGAGPOE-XJKSGUPXSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@H]21 ZINC000247970488 566068963 /nfs/dbraw/zinc/06/89/63/566068963.db2.gz HGNBHXMGGAGPOE-XJKSGUPXSA-N 2 2 391.313 3.415 10 0 GGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ncc(Br)s2)nc[nH+]1 ZINC000180573568 566073968 /nfs/dbraw/zinc/07/39/68/566073968.db2.gz CIXJEMWBFYPHMG-MNOVXSKESA-N 2 2 397.346 3.057 10 0 GGAELP C[N@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261709269 566130676 /nfs/dbraw/zinc/13/06/76/566130676.db2.gz DIRJNDSGQOQNTP-LPHOPBHVSA-N 2 2 397.357 3.438 10 0 GGAELP C[N@@H+](Cc1cccc(Br)c1OC[C@@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261709269 566130681 /nfs/dbraw/zinc/13/06/81/566130681.db2.gz DIRJNDSGQOQNTP-LPHOPBHVSA-N 2 2 397.357 3.438 10 0 GGAELP COc1cc(Br)ccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182080974 566181749 /nfs/dbraw/zinc/18/17/49/566181749.db2.gz MJBMFTHEGZVZIA-UHFFFAOYSA-N 2 2 383.330 3.002 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290920263 566196105 /nfs/dbraw/zinc/19/61/05/566196105.db2.gz QLOOWPAKEGFURK-JTQLQIEISA-N 2 2 377.124 3.038 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000290920263 566196107 /nfs/dbraw/zinc/19/61/07/566196107.db2.gz QLOOWPAKEGFURK-JTQLQIEISA-N 2 2 377.124 3.038 10 0 GGAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCc3sc(Cl)cc32)CC1 ZINC000368139583 566231435 /nfs/dbraw/zinc/23/14/35/566231435.db2.gz IIAASOMDJKTSEP-HNNXBMFYSA-N 2 2 384.977 3.104 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)s1 ZINC000182958027 566232031 /nfs/dbraw/zinc/23/20/31/566232031.db2.gz ZEIGIPXFBCDLNK-CYBMUJFWSA-N 2 2 383.970 3.458 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000668739891 566262228 /nfs/dbraw/zinc/26/22/28/566262228.db2.gz PMUOTLNUZGHCKT-MRXNPFEDSA-N 2 2 379.298 3.226 10 0 GGAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000668739891 566262237 /nfs/dbraw/zinc/26/22/37/566262237.db2.gz PMUOTLNUZGHCKT-MRXNPFEDSA-N 2 2 379.298 3.226 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420380555 566276057 /nfs/dbraw/zinc/27/60/57/566276057.db2.gz CEKDOQZZCPJDGH-CJNGLKHVSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420380555 566276062 /nfs/dbraw/zinc/27/60/62/566276062.db2.gz CEKDOQZZCPJDGH-CJNGLKHVSA-N 2 2 381.314 3.184 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420395044 566276557 /nfs/dbraw/zinc/27/65/57/566276557.db2.gz KPTINIMCAKDYJH-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420395044 566276562 /nfs/dbraw/zinc/27/65/62/566276562.db2.gz KPTINIMCAKDYJH-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000482032566 566277253 /nfs/dbraw/zinc/27/72/53/566277253.db2.gz HIPDDKZEUIYKHE-DLBZAZTESA-N 2 2 381.973 3.409 10 0 GGAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000482032566 566277258 /nfs/dbraw/zinc/27/72/58/566277258.db2.gz HIPDDKZEUIYKHE-DLBZAZTESA-N 2 2 381.973 3.409 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000482241775 566296485 /nfs/dbraw/zinc/29/64/85/566296485.db2.gz JFVGFAURTGPOAA-UONOGXRCSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1I ZINC000482241775 566296495 /nfs/dbraw/zinc/29/64/95/566296495.db2.gz JFVGFAURTGPOAA-UONOGXRCSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482256618 566297485 /nfs/dbraw/zinc/29/74/85/566297485.db2.gz MWEWWGRMZRSODU-WMLDXEAASA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482256618 566297489 /nfs/dbraw/zinc/29/74/89/566297489.db2.gz MWEWWGRMZRSODU-WMLDXEAASA-N 2 2 383.330 3.363 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000576704583 566371794 /nfs/dbraw/zinc/37/17/94/566371794.db2.gz WZMQXJFGJDAPNS-QGZVFWFLSA-N 2 2 377.286 3.075 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000576704583 566371800 /nfs/dbraw/zinc/37/18/00/566371800.db2.gz WZMQXJFGJDAPNS-QGZVFWFLSA-N 2 2 377.286 3.075 10 0 GGAELP Clc1cc(Cl)c(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422837838 566462170 /nfs/dbraw/zinc/46/21/70/566462170.db2.gz NCHRQZKRZKZBEP-GJZGRUSLSA-N 2 2 379.715 3.382 10 0 GGAELP Brc1cccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)c1 ZINC000422742329 566462204 /nfs/dbraw/zinc/46/22/04/566462204.db2.gz RLQDBEDZBJPIEP-MSOLQXFVSA-N 2 2 379.342 3.227 10 0 GGAELP Brc1cccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)c1 ZINC000422742331 566462982 /nfs/dbraw/zinc/46/29/82/566462982.db2.gz RLQDBEDZBJPIEP-ROUUACIJSA-N 2 2 379.342 3.227 10 0 GGAELP Clc1cc(Cl)c(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422837837 566463376 /nfs/dbraw/zinc/46/33/76/566463376.db2.gz NCHRQZKRZKZBEP-CABCVRRESA-N 2 2 379.715 3.382 10 0 GGAELP Clc1cc(Cl)c(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422837839 566463461 /nfs/dbraw/zinc/46/34/61/566463461.db2.gz NCHRQZKRZKZBEP-HUUCEWRRSA-N 2 2 379.715 3.382 10 0 GGAELP Clc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cs2)cc1 ZINC000423018021 566468995 /nfs/dbraw/zinc/46/89/95/566468995.db2.gz XXPZHWFIHFQVIO-QZTJIDSGSA-N 2 2 377.941 3.363 10 0 GGAELP Clc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cs2)cc1 ZINC000423018022 566469914 /nfs/dbraw/zinc/46/99/14/566469914.db2.gz XXPZHWFIHFQVIO-ROUUACIJSA-N 2 2 377.941 3.363 10 0 GGAELP COc1ccc([C@@H]([NH2+]CCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423125179 566476219 /nfs/dbraw/zinc/47/62/19/566476219.db2.gz NFFMGCFWWSHLPZ-QZTJIDSGSA-N 2 2 393.329 3.127 10 0 GGAELP COc1ccc([C@H]([NH2+]CCCn2cc(Br)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423125178 566476793 /nfs/dbraw/zinc/47/67/93/566476793.db2.gz NFFMGCFWWSHLPZ-MSOLQXFVSA-N 2 2 393.329 3.127 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)s1 ZINC000423105111 566477010 /nfs/dbraw/zinc/47/70/10/566477010.db2.gz NDEFAYLSYJBKFH-CZUORRHYSA-N 2 2 385.371 3.289 10 0 GGAELP Brc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423134842 566478832 /nfs/dbraw/zinc/47/88/32/566478832.db2.gz SGKSCMNCAKJZLN-ROUUACIJSA-N 2 2 379.342 3.227 10 0 GGAELP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423200946 566481849 /nfs/dbraw/zinc/48/18/49/566481849.db2.gz NOVDOPDKCOEXFS-LLVKDONJSA-N 2 2 394.368 3.343 10 0 GGAELP Fc1cc(Br)cc2c1CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423235711 566482301 /nfs/dbraw/zinc/48/23/01/566482301.db2.gz RHWQKIIIIFSVDB-KRWDZBQOSA-N 2 2 391.288 3.492 10 0 GGAELP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423200947 566482350 /nfs/dbraw/zinc/48/23/50/566482350.db2.gz NOVDOPDKCOEXFS-NSHDSACASA-N 2 2 394.368 3.343 10 0 GGAELP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423204039 566482531 /nfs/dbraw/zinc/48/25/31/566482531.db2.gz TYQKNZQXEGJCGD-INIZCTEOSA-N 2 2 387.977 3.341 10 0 GGAELP COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1Br ZINC000423231073 566482934 /nfs/dbraw/zinc/48/29/34/566482934.db2.gz KQKSQJYLBYELPY-CYBMUJFWSA-N 2 2 391.313 3.435 10 0 GGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515302 566492072 /nfs/dbraw/zinc/49/20/72/566492072.db2.gz NATYVPFYXKJMOC-ZYHUDNBSSA-N 2 2 392.135 3.241 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801730 566527943 /nfs/dbraw/zinc/52/79/43/566527943.db2.gz YMABDFLDJHYKBF-CJNGLKHVSA-N 2 2 379.346 3.498 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801730 566527948 /nfs/dbraw/zinc/52/79/48/566527948.db2.gz YMABDFLDJHYKBF-CJNGLKHVSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801730 566527953 /nfs/dbraw/zinc/52/79/53/566527953.db2.gz YMABDFLDJHYKBF-CJNGLKHVSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801730 566527959 /nfs/dbraw/zinc/52/79/59/566527959.db2.gz YMABDFLDJHYKBF-CJNGLKHVSA-N 2 2 379.346 3.498 10 0 GGAELP FC(F)(F)CC[NH+]1CCC([NH2+]CCc2csc(N3CCCC3)n2)CC1 ZINC000513227211 566590023 /nfs/dbraw/zinc/59/00/23/566590023.db2.gz OSXKMCPDAGTXDZ-UHFFFAOYSA-N 2 2 376.492 3.292 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)Cc2cn3ccccc3[nH+]2)cc1Br ZINC000467062750 566622771 /nfs/dbraw/zinc/62/27/71/566622771.db2.gz HYQNUNYQZNYHRR-UHFFFAOYSA-N 2 2 387.281 3.340 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096825 566640983 /nfs/dbraw/zinc/64/09/83/566640983.db2.gz UTFXBIZQEOEKDZ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096825 566640987 /nfs/dbraw/zinc/64/09/87/566640987.db2.gz UTFXBIZQEOEKDZ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096825 566640993 /nfs/dbraw/zinc/64/09/93/566640993.db2.gz UTFXBIZQEOEKDZ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@H](C)C1 ZINC000514096825 566641000 /nfs/dbraw/zinc/64/10/00/566641000.db2.gz UTFXBIZQEOEKDZ-DYVFJYSZSA-N 2 2 383.330 3.398 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000629396968 566652258 /nfs/dbraw/zinc/65/22/58/566652258.db2.gz RVXVEWXPLIEKIN-GXSJLCMTSA-N 2 2 392.135 3.450 10 0 GGAELP CC1(C)C[NH+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000579970427 566655859 /nfs/dbraw/zinc/65/58/59/566655859.db2.gz DJHVYUGVVDFEIE-UHFFFAOYSA-N 2 2 384.351 3.416 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516850 566662507 /nfs/dbraw/zinc/66/25/07/566662507.db2.gz SMWZVMYLGYDYCL-KYJSFNMBSA-N 2 2 392.341 3.166 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516850 566662513 /nfs/dbraw/zinc/66/25/13/566662513.db2.gz SMWZVMYLGYDYCL-KYJSFNMBSA-N 2 2 392.341 3.166 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516851 566662933 /nfs/dbraw/zinc/66/29/33/566662933.db2.gz SMWZVMYLGYDYCL-LESCRADOSA-N 2 2 392.341 3.166 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000629516851 566662936 /nfs/dbraw/zinc/66/29/36/566662936.db2.gz SMWZVMYLGYDYCL-LESCRADOSA-N 2 2 392.341 3.166 10 0 GGAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000629571462 566667831 /nfs/dbraw/zinc/66/78/31/566667831.db2.gz MOPOBSFIRBXTNQ-UHFFFAOYSA-N 2 2 384.343 3.240 10 0 GGAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2cccc(Br)c2)n1 ZINC000629571462 566667834 /nfs/dbraw/zinc/66/78/34/566667834.db2.gz MOPOBSFIRBXTNQ-UHFFFAOYSA-N 2 2 384.343 3.240 10 0 GGAELP Fc1c(Br)ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC000629591555 566669559 /nfs/dbraw/zinc/66/95/59/566669559.db2.gz JGNMPTMHDLXLEI-AWEZNQCLSA-N 2 2 389.284 3.318 10 0 GGAELP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594090 566670738 /nfs/dbraw/zinc/67/07/38/566670738.db2.gz JQWHWCNYIDMPRQ-HOCLYGCPSA-N 2 2 385.371 3.421 10 0 GGAELP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594090 566670743 /nfs/dbraw/zinc/67/07/43/566670743.db2.gz JQWHWCNYIDMPRQ-HOCLYGCPSA-N 2 2 385.371 3.421 10 0 GGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000629603300 566672234 /nfs/dbraw/zinc/67/22/34/566672234.db2.gz LXEQYWSUTJXXDD-KRWDZBQOSA-N 2 2 380.330 3.384 10 0 GGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000629603300 566672242 /nfs/dbraw/zinc/67/22/42/566672242.db2.gz LXEQYWSUTJXXDD-KRWDZBQOSA-N 2 2 380.330 3.384 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629659596 566677142 /nfs/dbraw/zinc/67/71/42/566677142.db2.gz CUHDZZMOEPQHSZ-LRDDRELGSA-N 2 2 377.330 3.482 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1Br ZINC000541226423 566703953 /nfs/dbraw/zinc/70/39/53/566703953.db2.gz FRDNQUISXFGMHO-XJKSGUPXSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1Br ZINC000541226420 566705064 /nfs/dbraw/zinc/70/50/64/566705064.db2.gz FRDNQUISXFGMHO-BBRMVZONSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(Br)c1 ZINC000541229074 566705141 /nfs/dbraw/zinc/70/51/41/566705141.db2.gz KIVNUBZSFDZXQQ-CJNGLKHVSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230526 566706267 /nfs/dbraw/zinc/70/62/67/566706267.db2.gz XBJYZRYSBYADAG-CZUORRHYSA-N 2 2 391.313 3.024 10 0 GGAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000654065310 566711781 /nfs/dbraw/zinc/71/17/81/566711781.db2.gz ZDMVYGFEALSBNQ-FHLIZLRMSA-N 2 2 394.357 3.042 10 0 GGAELP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581129925 566751938 /nfs/dbraw/zinc/75/19/38/566751938.db2.gz CWFQXFWAPVHLPM-MAUKXSAKSA-N 2 2 394.357 3.092 10 0 GGAELP Cc1[nH+]cc(C[NH2+]Cc2ccc(I)cc2Cl)n1C ZINC000581261318 566762870 /nfs/dbraw/zinc/76/28/70/566762870.db2.gz PWVLYNWYGFXSFF-UHFFFAOYSA-N 2 2 375.641 3.276 10 0 GGAELP Ic1cccc(C[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451193115 566775915 /nfs/dbraw/zinc/77/59/15/566775915.db2.gz PQCRULQTAYVUAP-OAHLLOKOSA-N 2 2 381.261 3.052 10 0 GGAELP Ic1cccc(C[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451193115 566775917 /nfs/dbraw/zinc/77/59/17/566775917.db2.gz PQCRULQTAYVUAP-OAHLLOKOSA-N 2 2 381.261 3.052 10 0 GGAELP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c2ccsc2S1 ZINC000542156984 566777907 /nfs/dbraw/zinc/77/79/07/566777907.db2.gz IZPADBVYRHOWPW-CFVMTHIKSA-N 2 2 376.551 3.188 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1Br ZINC000581668038 566798287 /nfs/dbraw/zinc/79/82/87/566798287.db2.gz YUIBNFQCLTVZCM-SFHVURJKSA-N 2 2 388.309 3.164 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146979 566808334 /nfs/dbraw/zinc/80/83/34/566808334.db2.gz RGNRKFLGNSHDOW-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146979 566808341 /nfs/dbraw/zinc/80/83/41/566808341.db2.gz RGNRKFLGNSHDOW-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCO2 ZINC000655701572 566836588 /nfs/dbraw/zinc/83/65/88/566836588.db2.gz TVUAKVLIXLNQMX-RDJZCZTQSA-N 2 2 381.314 3.116 10 0 GGAELP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959595 566838763 /nfs/dbraw/zinc/83/87/63/566838763.db2.gz YSAPPUSWYMYGKX-HRCADAONSA-N 2 2 390.329 3.245 10 0 GGAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711133 566838752 /nfs/dbraw/zinc/83/87/52/566838752.db2.gz HCODPUQWYBXNIB-CXAGYDPISA-N 2 2 385.321 3.362 10 0 GGAELP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655763543 566845642 /nfs/dbraw/zinc/84/56/42/566845642.db2.gz PRSILKIXACWSJJ-RHSMWYFYSA-N 2 2 381.314 3.116 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc4n(n3)CCCC4)[nH+]c12 ZINC000655760651 566846031 /nfs/dbraw/zinc/84/60/31/566846031.db2.gz WHNGPGJHNBESLI-UHFFFAOYSA-N 2 2 388.313 3.270 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679336585 566850082 /nfs/dbraw/zinc/85/00/82/566850082.db2.gz AJVGPDLZGZBUMA-QRVBRYPASA-N 2 2 397.357 3.370 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679336585 566850087 /nfs/dbraw/zinc/85/00/87/566850087.db2.gz AJVGPDLZGZBUMA-QRVBRYPASA-N 2 2 397.357 3.370 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)s1 ZINC000543085526 566850542 /nfs/dbraw/zinc/85/05/42/566850542.db2.gz QUNYBWMZNDRZQV-NEPJUHHUSA-N 2 2 397.342 3.086 10 0 GGAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000655949284 566861539 /nfs/dbraw/zinc/86/15/39/566861539.db2.gz SGECKZJSLXPEIJ-HNNXBMFYSA-N 2 2 391.309 3.395 10 0 GGAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000655949284 566861544 /nfs/dbraw/zinc/86/15/44/566861544.db2.gz SGECKZJSLXPEIJ-HNNXBMFYSA-N 2 2 391.309 3.395 10 0 GGAELP O=S(=O)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(Cl)cc1 ZINC000543178454 566862240 /nfs/dbraw/zinc/86/22/40/566862240.db2.gz OJGFKGVTNKMFBM-UHFFFAOYSA-N 2 2 381.910 3.151 10 0 GGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000518279314 566873148 /nfs/dbraw/zinc/87/31/48/566873148.db2.gz NPESXUZUCDQJAI-KRWDZBQOSA-N 2 2 385.346 3.438 10 0 GGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000518279314 566873151 /nfs/dbraw/zinc/87/31/51/566873151.db2.gz NPESXUZUCDQJAI-KRWDZBQOSA-N 2 2 385.346 3.438 10 0 GGAELP COc1cc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1O ZINC000491063847 566891194 /nfs/dbraw/zinc/89/11/94/566891194.db2.gz DWZOTAVIOACQIZ-UHFFFAOYSA-N 2 2 383.330 3.471 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005710 566898429 /nfs/dbraw/zinc/89/84/29/566898429.db2.gz SFAYJCKHCSRJEI-RDTXWAMCSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005710 566898438 /nfs/dbraw/zinc/89/84/38/566898438.db2.gz SFAYJCKHCSRJEI-RDTXWAMCSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005710 566898446 /nfs/dbraw/zinc/89/84/46/566898446.db2.gz SFAYJCKHCSRJEI-RDTXWAMCSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000429005710 566898455 /nfs/dbraw/zinc/89/84/55/566898455.db2.gz SFAYJCKHCSRJEI-RDTXWAMCSA-N 2 2 380.330 3.112 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@H]21 ZINC000563691043 566908789 /nfs/dbraw/zinc/90/87/89/566908789.db2.gz CNBQUYDNELYQAL-OWCLPIDISA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@H]21 ZINC000563691043 566908795 /nfs/dbraw/zinc/90/87/95/566908795.db2.gz CNBQUYDNELYQAL-OWCLPIDISA-N 2 2 390.329 3.197 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]2CCC[C@H]21 ZINC000563691043 566908800 /nfs/dbraw/zinc/90/88/00/566908800.db2.gz CNBQUYDNELYQAL-OWCLPIDISA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]2CCC[C@H]21 ZINC000563691043 566908806 /nfs/dbraw/zinc/90/88/06/566908806.db2.gz CNBQUYDNELYQAL-OWCLPIDISA-N 2 2 390.329 3.197 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000563691038 566909471 /nfs/dbraw/zinc/90/94/71/566909471.db2.gz CNBQUYDNELYQAL-JYJNAYRXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000563691038 566909479 /nfs/dbraw/zinc/90/94/79/566909479.db2.gz CNBQUYDNELYQAL-JYJNAYRXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]2CCC[C@@H]21 ZINC000563691038 566909484 /nfs/dbraw/zinc/90/94/84/566909484.db2.gz CNBQUYDNELYQAL-JYJNAYRXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@@H]2CCC[C@@H]21 ZINC000563691038 566909486 /nfs/dbraw/zinc/90/94/86/566909486.db2.gz CNBQUYDNELYQAL-JYJNAYRXSA-N 2 2 390.329 3.197 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227997 566937776 /nfs/dbraw/zinc/93/77/76/566937776.db2.gz QPLDTAZRKYJCPH-RHSMWYFYSA-N 2 2 386.367 3.314 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227997 566937783 /nfs/dbraw/zinc/93/77/83/566937783.db2.gz QPLDTAZRKYJCPH-RHSMWYFYSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227997 566937789 /nfs/dbraw/zinc/93/77/89/566937789.db2.gz QPLDTAZRKYJCPH-RHSMWYFYSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227997 566937795 /nfs/dbraw/zinc/93/77/95/566937795.db2.gz QPLDTAZRKYJCPH-RHSMWYFYSA-N 2 2 386.367 3.314 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CC3(O)Cc4ccccc4C3)c[nH+]c12 ZINC000544171448 566945202 /nfs/dbraw/zinc/94/52/02/566945202.db2.gz NSXIWUZAFJFKEM-UHFFFAOYSA-N 2 2 386.293 3.025 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781990 566949705 /nfs/dbraw/zinc/94/97/05/566949705.db2.gz BWPHAUMXIDWSBX-INIZCTEOSA-N 2 2 384.973 3.345 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656781990 566949712 /nfs/dbraw/zinc/94/97/12/566949712.db2.gz BWPHAUMXIDWSBX-INIZCTEOSA-N 2 2 384.973 3.345 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210849 566955204 /nfs/dbraw/zinc/95/52/04/566955204.db2.gz JXXKDRLBAULRQF-SJLPKXTDSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210849 566955208 /nfs/dbraw/zinc/95/52/08/566955208.db2.gz JXXKDRLBAULRQF-SJLPKXTDSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210848 566955259 /nfs/dbraw/zinc/95/52/59/566955259.db2.gz JXXKDRLBAULRQF-FUHWJXTLSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000564210848 566955260 /nfs/dbraw/zinc/95/52/60/566955260.db2.gz JXXKDRLBAULRQF-FUHWJXTLSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210847 566955265 /nfs/dbraw/zinc/95/52/65/566955265.db2.gz JXXKDRLBAULRQF-AEFFLSMTSA-N 2 2 391.357 3.355 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000564210847 566955268 /nfs/dbraw/zinc/95/52/68/566955268.db2.gz JXXKDRLBAULRQF-AEFFLSMTSA-N 2 2 391.357 3.355 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000520424717 567004846 /nfs/dbraw/zinc/00/48/46/567004846.db2.gz BIBPTQVAVMRYAS-CQSZACIVSA-N 2 2 384.351 3.416 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000520424717 567004855 /nfs/dbraw/zinc/00/48/55/567004855.db2.gz BIBPTQVAVMRYAS-CQSZACIVSA-N 2 2 384.351 3.416 10 0 GGAELP Fc1cncc(Br)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000657293531 567045240 /nfs/dbraw/zinc/04/52/40/567045240.db2.gz PWHRYRLYXHBFRG-UHFFFAOYSA-N 2 2 394.288 3.105 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C4CCC4)nn3)[nH+]c12 ZINC000657436018 567057082 /nfs/dbraw/zinc/05/70/82/567057082.db2.gz RLZVRPVHQQKYFI-UHFFFAOYSA-N 2 2 389.301 3.054 10 0 GGAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527641 567065603 /nfs/dbraw/zinc/06/56/03/567065603.db2.gz WYQNAEMLVDBUJO-QGZVFWFLSA-N 2 2 396.373 3.248 10 0 GGAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000657527641 567065612 /nfs/dbraw/zinc/06/56/12/567065612.db2.gz WYQNAEMLVDBUJO-QGZVFWFLSA-N 2 2 396.373 3.248 10 0 GGAELP COCCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000453254277 567068618 /nfs/dbraw/zinc/06/86/18/567068618.db2.gz DKXIGPMZRFSLDA-RBUKOAKNSA-N 2 2 399.373 3.353 10 0 GGAELP COCCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000453254277 567068625 /nfs/dbraw/zinc/06/86/25/567068625.db2.gz DKXIGPMZRFSLDA-RBUKOAKNSA-N 2 2 399.373 3.353 10 0 GGAELP COCCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000453254273 567069383 /nfs/dbraw/zinc/06/93/83/567069383.db2.gz DKXIGPMZRFSLDA-MOPGFXCFSA-N 2 2 399.373 3.353 10 0 GGAELP COCCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000453254273 567069392 /nfs/dbraw/zinc/06/93/92/567069392.db2.gz DKXIGPMZRFSLDA-MOPGFXCFSA-N 2 2 399.373 3.353 10 0 GGAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CSCc3ccc(Br)cc32)n1C ZINC000657641415 567080142 /nfs/dbraw/zinc/08/01/42/567080142.db2.gz FCQIJBNQNSHNDE-OAHLLOKOSA-N 2 2 381.343 3.326 10 0 GGAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866273 567080806 /nfs/dbraw/zinc/08/08/06/567080806.db2.gz UFYIOMKIUKIZQG-HNNXBMFYSA-N 2 2 380.330 3.408 10 0 GGAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000545866273 567080814 /nfs/dbraw/zinc/08/08/14/567080814.db2.gz UFYIOMKIUKIZQG-HNNXBMFYSA-N 2 2 380.330 3.408 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136794 567124578 /nfs/dbraw/zinc/12/45/78/567124578.db2.gz IIUNHDLYOPEBOF-SWLSCSKDSA-N 2 2 396.354 3.323 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136794 567124586 /nfs/dbraw/zinc/12/45/86/567124586.db2.gz IIUNHDLYOPEBOF-SWLSCSKDSA-N 2 2 396.354 3.323 10 0 GGAELP Cc1ccc(CCC[NH+]2CCN(c3ccc(Br)cn3)CC2)c[nH+]1 ZINC000474106178 567134185 /nfs/dbraw/zinc/13/41/85/567134185.db2.gz SSUWVKSCXMYEGE-UHFFFAOYSA-N 2 2 375.314 3.302 10 0 GGAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000546572555 567137997 /nfs/dbraw/zinc/13/79/97/567137997.db2.gz JIJORTAVPLQQLT-OAHLLOKOSA-N 2 2 380.330 3.408 10 0 GGAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000546572555 567138005 /nfs/dbraw/zinc/13/80/05/567138005.db2.gz JIJORTAVPLQQLT-OAHLLOKOSA-N 2 2 380.330 3.408 10 0 GGAELP Brc1cccc2c(N3CC[N@@H+]4CCOC[C@H]4C3)cc(C3CC3)[nH+]c12 ZINC000432837790 567196447 /nfs/dbraw/zinc/19/64/47/567196447.db2.gz WFLZPMCNJKBRHS-CQSZACIVSA-N 2 2 388.309 3.396 10 0 GGAELP Brc1cccc2c(N3CC[N@H+]4CCOC[C@H]4C3)cc(C3CC3)[nH+]c12 ZINC000432837790 567196456 /nfs/dbraw/zinc/19/64/56/567196456.db2.gz WFLZPMCNJKBRHS-CQSZACIVSA-N 2 2 388.309 3.396 10 0 GGAELP C[NH+]1CCC(C(=O)N2CC[NH+](CCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000498798488 567202608 /nfs/dbraw/zinc/20/26/08/567202608.db2.gz KIPOISVUQYHRET-UHFFFAOYSA-N 2 2 384.351 3.022 10 0 GGAELP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1c(Cl)cccc1Cl ZINC000567678605 567266979 /nfs/dbraw/zinc/26/69/79/567266979.db2.gz XDTBTXXVEVVPNA-AWEZNQCLSA-N 2 2 384.307 3.098 10 0 GGAELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000500091240 567299010 /nfs/dbraw/zinc/29/90/10/567299010.db2.gz MHNLBDASINQESS-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1Br ZINC000500091240 567299018 /nfs/dbraw/zinc/29/90/18/567299018.db2.gz MHNLBDASINQESS-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP FC1(F)C[C@@H]1OCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000660535000 567306118 /nfs/dbraw/zinc/30/61/18/567306118.db2.gz JALMJTPFWFUOQF-ZDUSSCGKSA-N 2 2 390.228 3.165 10 0 GGAELP FC1(F)C[C@@H]1OCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000660535000 567306126 /nfs/dbraw/zinc/30/61/26/567306126.db2.gz JALMJTPFWFUOQF-ZDUSSCGKSA-N 2 2 390.228 3.165 10 0 GGAELP Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765104 567333089 /nfs/dbraw/zinc/33/30/89/567333089.db2.gz TZEYMAKTNXBFHE-UHFFFAOYSA-N 2 2 390.753 3.024 10 0 GGAELP Cc1cc(Br)cc(Cl)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765104 567333095 /nfs/dbraw/zinc/33/30/95/567333095.db2.gz TZEYMAKTNXBFHE-UHFFFAOYSA-N 2 2 390.753 3.024 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654967 567356228 /nfs/dbraw/zinc/35/62/28/567356228.db2.gz VKTCWLSCBJUUQG-CYBMUJFWSA-N 2 2 399.358 3.101 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654967 567356233 /nfs/dbraw/zinc/35/62/33/567356233.db2.gz VKTCWLSCBJUUQG-CYBMUJFWSA-N 2 2 399.358 3.101 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3c4ccccc4C(=O)N3C)c[nH+]c12 ZINC000527805452 567375579 /nfs/dbraw/zinc/37/55/79/567375579.db2.gz IXGIONFNOYONIH-KRWDZBQOSA-N 2 2 399.292 3.322 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)C(=O)N3CCCC3)c[nH+]c12 ZINC000527813937 567377352 /nfs/dbraw/zinc/37/73/52/567377352.db2.gz WYEGWUFHCMNLGD-UHFFFAOYSA-N 2 2 393.329 3.143 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153167 567413548 /nfs/dbraw/zinc/41/35/48/567413548.db2.gz ORYOZQYJINKNFV-IEBWSBKVSA-N 2 2 379.342 3.358 10 0 GGAELP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153167 567413552 /nfs/dbraw/zinc/41/35/52/567413552.db2.gz ORYOZQYJINKNFV-IEBWSBKVSA-N 2 2 379.342 3.358 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3cc(Br)ccc3C2)CC1 ZINC000662198354 567415909 /nfs/dbraw/zinc/41/59/09/567415909.db2.gz DZXKDWGULVROBF-UHFFFAOYSA-N 2 2 396.373 3.060 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCOc3cc(Br)ccc3C2)CC1 ZINC000662198354 567415911 /nfs/dbraw/zinc/41/59/11/567415911.db2.gz DZXKDWGULVROBF-UHFFFAOYSA-N 2 2 396.373 3.060 10 0 GGAELP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000662427580 567434910 /nfs/dbraw/zinc/43/49/10/567434910.db2.gz RFKQHTXSMGIQSN-JTQLQIEISA-N 2 2 381.299 3.204 10 0 GGAELP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000662731723 567459160 /nfs/dbraw/zinc/45/91/60/567459160.db2.gz IYRSJYIXWAOAME-IAGOWNOFSA-N 2 2 382.346 3.076 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000619779671 567480325 /nfs/dbraw/zinc/48/03/25/567480325.db2.gz OQCCYQUALBCFAL-UHFFFAOYSA-N 2 2 378.270 3.338 10 0 GGAELP Brc1ccc(OCc2ccccn2)c(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663498576 567512088 /nfs/dbraw/zinc/51/20/88/567512088.db2.gz QKLRBNUXNQFULD-UHFFFAOYSA-N 2 2 388.309 3.265 10 0 GGAELP Brc1ccc(-n2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088115 567536250 /nfs/dbraw/zinc/53/62/50/567536250.db2.gz LFKHJIVVSUFVAR-SFHVURJKSA-N 2 2 375.314 3.210 10 0 GGAELP Brc1ccc(-n2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cn2)cc1 ZINC000571088115 567536253 /nfs/dbraw/zinc/53/62/53/567536253.db2.gz LFKHJIVVSUFVAR-SFHVURJKSA-N 2 2 375.314 3.210 10 0 GGAELP Cc1cc[nH+]c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000664238113 567558960 /nfs/dbraw/zinc/55/89/60/567558960.db2.gz WGBQVBPKQDMIMW-MRXNPFEDSA-N 2 2 376.298 3.331 10 0 GGAELP Cc1cc[nH+]c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000664238113 567558969 /nfs/dbraw/zinc/55/89/69/567558969.db2.gz WGBQVBPKQDMIMW-MRXNPFEDSA-N 2 2 376.298 3.331 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031238 567561492 /nfs/dbraw/zinc/56/14/92/567561492.db2.gz DAGUYTYOTAMQBP-XJKSGUPXSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031265 567562084 /nfs/dbraw/zinc/56/20/84/567562084.db2.gz DMKMRTNRUNKZPA-SUMWQHHRSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031262 567562168 /nfs/dbraw/zinc/56/21/68/567562168.db2.gz DMKMRTNRUNKZPA-CXAGYDPISA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031461 567562578 /nfs/dbraw/zinc/56/25/78/567562578.db2.gz JWWUSQLLGUSJDF-CZUORRHYSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031462 567562709 /nfs/dbraw/zinc/56/27/09/567562709.db2.gz JWWUSQLLGUSJDF-XJKSGUPXSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032087 567563700 /nfs/dbraw/zinc/56/37/00/567563700.db2.gz FSLLOWKKHDFRJD-SJCJKPOMSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032087 567563705 /nfs/dbraw/zinc/56/37/05/567563705.db2.gz FSLLOWKKHDFRJD-SJCJKPOMSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032141 567564147 /nfs/dbraw/zinc/56/41/47/567564147.db2.gz FSLLOWKKHDFRJD-YVEFUNNKSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032141 567564154 /nfs/dbraw/zinc/56/41/54/567564154.db2.gz FSLLOWKKHDFRJD-YVEFUNNKSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031860 567564175 /nfs/dbraw/zinc/56/41/75/567564175.db2.gz CTOLTVONUHJALI-SUMWQHHRSA-N 2 2 381.307 3.171 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)[nH+]c12 ZINC000552283459 567572552 /nfs/dbraw/zinc/57/25/52/567572552.db2.gz DPSFTJIXWQPNTL-KSZLIROESA-N 3 2 391.357 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)[nH+]c12 ZINC000552283459 567572569 /nfs/dbraw/zinc/57/25/69/567572569.db2.gz DPSFTJIXWQPNTL-KSZLIROESA-N 3 2 391.357 3.410 10 0 GGAELP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(F)c(Br)cc43)CC2)C1 ZINC000664597946 567577560 /nfs/dbraw/zinc/57/75/60/567577560.db2.gz RFCNOJYWUPYUKN-ZDUSSCGKSA-N 2 2 394.288 3.172 10 0 GGAELP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(F)c(Br)cc43)CC2)C1 ZINC000664597946 567577567 /nfs/dbraw/zinc/57/75/67/567577567.db2.gz RFCNOJYWUPYUKN-ZDUSSCGKSA-N 2 2 394.288 3.172 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)C1 ZINC000664599163 567577582 /nfs/dbraw/zinc/57/75/82/567577582.db2.gz YKZAVRQCNUIUPV-CYBMUJFWSA-N 2 2 394.288 3.172 10 0 GGAELP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4c(Br)ccc(F)c34)CC2)C1 ZINC000664599163 567577589 /nfs/dbraw/zinc/57/75/89/567577589.db2.gz YKZAVRQCNUIUPV-CYBMUJFWSA-N 2 2 394.288 3.172 10 0 GGAELP Cc1cc(Br)cn2c(CNc3ccc4c(c3)OCC[NH2+]C4)c[nH+]c12 ZINC000530183653 567579860 /nfs/dbraw/zinc/57/98/60/567579860.db2.gz SLQAOMVOIWKSHO-UHFFFAOYSA-N 2 2 387.281 3.499 10 0 GGAELP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223022 567584645 /nfs/dbraw/zinc/58/46/45/567584645.db2.gz JBZNDMAQFLFUFW-DZGCQCFKSA-N 2 2 389.284 3.446 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223672 567584971 /nfs/dbraw/zinc/58/49/71/567584971.db2.gz UFWVNDLEGMLYKS-GOEBONIOSA-N 2 2 398.288 3.379 10 0 GGAELP Fc1cc(Br)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1F ZINC000530239419 567585619 /nfs/dbraw/zinc/58/56/19/567585619.db2.gz FSNIPNCNCRYEKF-HNNXBMFYSA-N 2 2 389.284 3.318 10 0 GGAELP Fc1ccc(Br)c(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242177 567586041 /nfs/dbraw/zinc/58/60/41/567586041.db2.gz NQHAMLIJUQRIBB-ZDUSSCGKSA-N 2 2 389.284 3.318 10 0 GGAELP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244945 567587815 /nfs/dbraw/zinc/58/78/15/567587815.db2.gz RLYUUUVQAMTHLQ-CRAIPNDOSA-N 2 2 385.321 3.402 10 0 GGAELP C[C@@](O)(C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244945 567587817 /nfs/dbraw/zinc/58/78/17/567587817.db2.gz RLYUUUVQAMTHLQ-CRAIPNDOSA-N 2 2 385.321 3.402 10 0 GGAELP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244946 567587848 /nfs/dbraw/zinc/58/78/48/567587848.db2.gz RLYUUUVQAMTHLQ-MAUKXSAKSA-N 2 2 385.321 3.402 10 0 GGAELP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244946 567587851 /nfs/dbraw/zinc/58/78/51/567587851.db2.gz RLYUUUVQAMTHLQ-MAUKXSAKSA-N 2 2 385.321 3.402 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ncc(Br)cn1 ZINC000644895159 567588287 /nfs/dbraw/zinc/58/82/87/567588287.db2.gz PTDOBZSRSRDLIS-CYBMUJFWSA-N 2 2 379.302 3.030 10 0 GGAELP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753373 567609183 /nfs/dbraw/zinc/60/91/83/567609183.db2.gz NFZMKGROFOANMB-MRXNPFEDSA-N 2 2 390.316 3.371 10 0 GGAELP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c1Br ZINC000459368931 567618631 /nfs/dbraw/zinc/61/86/31/567618631.db2.gz DSWGUPDDIJMDQN-UHFFFAOYSA-N 2 2 391.309 3.277 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000459384660 567619969 /nfs/dbraw/zinc/61/99/69/567619969.db2.gz XZFYEFASXLUJOK-MRXNPFEDSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000459384660 567619975 /nfs/dbraw/zinc/61/99/75/567619975.db2.gz XZFYEFASXLUJOK-MRXNPFEDSA-N 2 2 381.261 3.404 10 0 GGAELP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3c(Br)ccc(F)c13)CCO2 ZINC000645385146 567620717 /nfs/dbraw/zinc/62/07/17/567620717.db2.gz HJVZWCLPAKGXEM-UHFFFAOYSA-N 2 2 394.288 3.437 10 0 GGAELP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667093 567648181 /nfs/dbraw/zinc/64/81/81/567648181.db2.gz RWOGVGXIJIKILJ-ZDUSSCGKSA-N 2 2 383.277 3.178 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000553427960 567653788 /nfs/dbraw/zinc/65/37/88/567653788.db2.gz VIWWHWZIEQUFPV-UHFFFAOYSA-N 2 2 387.293 3.095 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313630 567670840 /nfs/dbraw/zinc/67/08/40/567670840.db2.gz SPPKIGVYFYHATD-UKRRQHHQSA-N 2 2 392.345 3.331 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)C1 ZINC000481313630 567670847 /nfs/dbraw/zinc/67/08/47/567670847.db2.gz SPPKIGVYFYHATD-UKRRQHHQSA-N 2 2 392.345 3.331 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106031 567695250 /nfs/dbraw/zinc/69/52/50/567695250.db2.gz DBDFCLRGSAGCPI-ZDUSSCGKSA-N 2 2 386.323 3.117 10 0 GGAELP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106031 567695251 /nfs/dbraw/zinc/69/52/51/567695251.db2.gz DBDFCLRGSAGCPI-ZDUSSCGKSA-N 2 2 386.323 3.117 10 0 GGAELP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1F ZINC000623418520 567708810 /nfs/dbraw/zinc/70/88/10/567708810.db2.gz UDXRYGWSTXVMEA-AWEZNQCLSA-N 2 2 389.284 3.460 10 0 GGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443577 567710652 /nfs/dbraw/zinc/71/06/52/567710652.db2.gz FUNBZHMJINNABR-CQSZACIVSA-N 2 2 378.318 3.197 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443577 567710653 /nfs/dbraw/zinc/71/06/53/567710653.db2.gz FUNBZHMJINNABR-CQSZACIVSA-N 2 2 378.318 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516721 567717192 /nfs/dbraw/zinc/71/71/92/567717192.db2.gz BYSOKXXUZHXMHS-AWEZNQCLSA-N 2 2 378.460 3.071 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508805 567717736 /nfs/dbraw/zinc/71/77/36/567717736.db2.gz JGULOSDAGMRZDS-GOEBONIOSA-N 2 2 380.330 3.017 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508805 567717740 /nfs/dbraw/zinc/71/77/40/567717740.db2.gz JGULOSDAGMRZDS-GOEBONIOSA-N 2 2 380.330 3.017 10 0 GGAELP COC1CC[NH+](CC[NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623904208 567745636 /nfs/dbraw/zinc/74/56/36/567745636.db2.gz YDBFNQAFRSZRGL-LBPRGKRZSA-N 2 2 379.854 3.385 10 0 GGAELP C[C@@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCOCC1 ZINC000623897156 567745643 /nfs/dbraw/zinc/74/56/43/567745643.db2.gz HSCWCSQEZJYMDR-STQMWFEESA-N 2 2 379.854 3.243 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000623991997 567752468 /nfs/dbraw/zinc/75/24/68/567752468.db2.gz YOTLCSLFMXKWCH-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000623991997 567752472 /nfs/dbraw/zinc/75/24/72/567752472.db2.gz YOTLCSLFMXKWCH-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](c1ccccc1Br)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533529775 567773260 /nfs/dbraw/zinc/77/32/60/567773260.db2.gz NZFYZOGGFIVTOQ-AWEZNQCLSA-N 2 2 390.329 3.188 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480665 567788072 /nfs/dbraw/zinc/78/80/72/567788072.db2.gz XCGIBTILENSPNF-ZBFHGGJFSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480665 567788077 /nfs/dbraw/zinc/78/80/77/567788077.db2.gz XCGIBTILENSPNF-ZBFHGGJFSA-N 2 2 381.314 3.184 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480746 567788597 /nfs/dbraw/zinc/78/85/97/567788597.db2.gz YKEQPOYLHZNWDV-SUMWQHHRSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480746 567788601 /nfs/dbraw/zinc/78/86/01/567788601.db2.gz YKEQPOYLHZNWDV-SUMWQHHRSA-N 2 2 383.330 3.430 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901377 567805549 /nfs/dbraw/zinc/80/55/49/567805549.db2.gz NJYQGYHYHGMYOO-JKIFEVAISA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901377 567805555 /nfs/dbraw/zinc/80/55/55/567805555.db2.gz NJYQGYHYHGMYOO-JKIFEVAISA-N 2 2 380.330 3.240 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900530 567805774 /nfs/dbraw/zinc/80/57/74/567805774.db2.gz CSKRLPGKAMNGGY-MAUKXSAKSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900530 567805780 /nfs/dbraw/zinc/80/57/80/567805780.db2.gz CSKRLPGKAMNGGY-MAUKXSAKSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902696 567806166 /nfs/dbraw/zinc/80/61/66/567806166.db2.gz BIPJQIYQXBGZBP-MAUKXSAKSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902696 567806167 /nfs/dbraw/zinc/80/61/67/567806167.db2.gz BIPJQIYQXBGZBP-MAUKXSAKSA-N 2 2 384.351 3.416 10 0 GGAELP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902921 567806200 /nfs/dbraw/zinc/80/62/00/567806200.db2.gz DLUPYOOPMLTWDH-JCGIZDLHSA-N 2 2 392.341 3.018 10 0 GGAELP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902921 567806201 /nfs/dbraw/zinc/80/62/01/567806201.db2.gz DLUPYOOPMLTWDH-JCGIZDLHSA-N 2 2 392.341 3.018 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000647995824 567810113 /nfs/dbraw/zinc/81/01/13/567810113.db2.gz KEZXPOXFTDLFIL-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000647995824 567810116 /nfs/dbraw/zinc/81/01/16/567810116.db2.gz KEZXPOXFTDLFIL-GOSISDBHSA-N 2 2 388.309 3.336 10 0 GGAELP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)CC1C[NH+](C)C1 ZINC000668537796 567813237 /nfs/dbraw/zinc/81/32/37/567813237.db2.gz PCDRAUZDAOMOGB-UHFFFAOYSA-N 2 2 390.325 3.417 10 0 GGAELP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)CC1C[NH+](C)C1 ZINC000668537796 567813240 /nfs/dbraw/zinc/81/32/40/567813240.db2.gz PCDRAUZDAOMOGB-UHFFFAOYSA-N 2 2 390.325 3.417 10 0 GGAELP CC[N@@H+](CC(=O)NCc1ccccc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305034 570515555 /nfs/dbraw/zinc/51/55/55/570515555.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[N@H+](CC(=O)NCc1ccccc1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305034 570515559 /nfs/dbraw/zinc/51/55/59/570515559.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[NH+](CC(=O)NCc1ccccc1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305034 570515561 /nfs/dbraw/zinc/51/55/61/570515561.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 2 379.548 3.455 10 0 GGAELP CC[NH+](CC(=O)NCc1ccccc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305034 570515563 /nfs/dbraw/zinc/51/55/63/570515563.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 2 379.548 3.455 10 0 GGAELP Cc1ccc(C)c(Cc2c(C)[nH+]c(C)nc2N2CC[NH+](C[C@@H](O)C(C)C)CC2)c1 ZINC000036340291 570563503 /nfs/dbraw/zinc/56/35/03/570563503.db2.gz UYYAVJUWSNVTRF-HSZRJFAPSA-N 2 2 396.579 3.440 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225565773 570588920 /nfs/dbraw/zinc/58/89/20/570588920.db2.gz PFOPCHLPKUBFQB-HZPDHXFCSA-N 2 2 378.517 3.190 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225565773 570588923 /nfs/dbraw/zinc/58/89/23/570588923.db2.gz PFOPCHLPKUBFQB-HZPDHXFCSA-N 2 2 378.517 3.190 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340747 570625001 /nfs/dbraw/zinc/62/50/01/570625001.db2.gz GPXZYGDZMGJVHB-OAHLLOKOSA-N 2 2 388.943 3.094 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](O)CC)CC2)c1Cc1ccc(C)cc1 ZINC000036340636 570625311 /nfs/dbraw/zinc/62/53/11/570625311.db2.gz GMRFJFZDTYCZLW-HXUWFJFHSA-N 2 2 382.552 3.140 10 0 GGAELP CC(=O)c1cccc(NC(=O)[C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000033040204 570678924 /nfs/dbraw/zinc/67/89/24/570678924.db2.gz BXCMFGLYXFNGME-NRFANRHFSA-N 2 2 376.460 3.445 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)[nH+]c2c1 ZINC000033070801 570802558 /nfs/dbraw/zinc/80/25/58/570802558.db2.gz COKITZUMKFZOCR-GOSISDBHSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)[nH+]c2c1 ZINC000033070801 570802560 /nfs/dbraw/zinc/80/25/60/570802560.db2.gz COKITZUMKFZOCR-GOSISDBHSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000033070801 570802562 /nfs/dbraw/zinc/80/25/62/570802562.db2.gz COKITZUMKFZOCR-GOSISDBHSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000033070801 570802564 /nfs/dbraw/zinc/80/25/64/570802564.db2.gz COKITZUMKFZOCR-GOSISDBHSA-N 2 2 397.567 3.468 10 0 GGAELP O=C(C[NH+]1CCC(CCc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032865347 570862672 /nfs/dbraw/zinc/86/26/72/570862672.db2.gz TVONZXRFFZEXDH-UHFFFAOYSA-N 2 2 392.547 3.075 10 0 GGAELP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000170615869 570873446 /nfs/dbraw/zinc/87/34/46/570873446.db2.gz ICACSGIKIKKWSI-QZTJIDSGSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000170615869 570873448 /nfs/dbraw/zinc/87/34/48/570873448.db2.gz ICACSGIKIKKWSI-QZTJIDSGSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000084425578 571017791 /nfs/dbraw/zinc/01/77/91/571017791.db2.gz LIOHAQLZKBGERU-UHFFFAOYSA-N 2 2 391.479 3.364 10 0 GGAELP O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007750243 571030891 /nfs/dbraw/zinc/03/08/91/571030891.db2.gz HRXJNAOGUPLDEY-QFIPXVFZSA-N 2 2 392.528 3.171 10 0 GGAELP C[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047885944 1404984026 /nfs/dbraw/zinc/98/40/26/1404984026.db2.gz HSWAIQRZGGVIQQ-KRWDZBQOSA-N 2 2 382.911 3.009 10 0 GGAELP CC[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047978927 1405014138 /nfs/dbraw/zinc/01/41/38/1405014138.db2.gz ADYRMRSQSGVTFO-GOSISDBHSA-N 2 2 396.938 3.400 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744842 1405278141 /nfs/dbraw/zinc/27/81/41/1405278141.db2.gz DTBZCRNJPBKFCU-QGZVFWFLSA-N 2 2 390.487 3.381 10 0 GGAELP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000061070306 1408073968 /nfs/dbraw/zinc/07/39/68/1408073968.db2.gz DDYBJKQWWSRDPA-UHFFFAOYSA-N 2 2 383.536 3.131 10 0 GGAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000065481328 1408676455 /nfs/dbraw/zinc/67/64/55/1408676455.db2.gz AFMMWKIZJPRXHE-HXUWFJFHSA-N 2 2 384.524 3.190 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971273 1408968713 /nfs/dbraw/zinc/96/87/13/1408968713.db2.gz DJKOJCIRMVGOJE-HDICACEKSA-N 2 2 378.520 3.472 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971273 1408968720 /nfs/dbraw/zinc/96/87/20/1408968720.db2.gz DJKOJCIRMVGOJE-HDICACEKSA-N 2 2 378.520 3.472 10 0 GGAELP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc4ccccc4n3C)cc2)C[C@H](C)O1 ZINC000066971274 1408968802 /nfs/dbraw/zinc/96/88/02/1408968802.db2.gz DJKOJCIRMVGOJE-ROUUACIJSA-N 2 2 378.520 3.472 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107781111 1411411072 /nfs/dbraw/zinc/41/10/72/1411411072.db2.gz HITXMYGIVBZYSA-DHIUTWEWSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107781111 1411411079 /nfs/dbraw/zinc/41/10/79/1411411079.db2.gz HITXMYGIVBZYSA-DHIUTWEWSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(Br)c1 ZINC000118952073 1413271435 /nfs/dbraw/zinc/27/14/35/1413271435.db2.gz COBSDFMHQMLEJE-UHFFFAOYSA-N 2 2 389.341 3.194 10 0 GGAELP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccncc4)cc3F)ccn2)CC1 ZINC000119143815 1413354214 /nfs/dbraw/zinc/35/42/14/1413354214.db2.gz ASGWLWBPXFFWCW-UHFFFAOYSA-N 2 2 391.494 3.324 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000121467303 1414138006 /nfs/dbraw/zinc/13/80/06/1414138006.db2.gz BAGSOMSFWTUHOG-UHFFFAOYSA-N 2 2 393.304 3.025 10 0 GGAELP O=C(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128756756 1416060428 /nfs/dbraw/zinc/06/04/28/1416060428.db2.gz AMRBPNWBXVEDQR-YADHBBJMSA-N 2 2 392.547 3.121 10 0 GGAELP O=C(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128756500 1416060540 /nfs/dbraw/zinc/06/05/40/1416060540.db2.gz AMRBPNWBXVEDQR-VXKWHMMOSA-N 2 2 392.547 3.121 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000129387530 1416201144 /nfs/dbraw/zinc/20/11/44/1416201144.db2.gz CIMFADQUIBKWON-XUEUYAKLSA-N 2 2 382.508 3.042 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000129387530 1416201149 /nfs/dbraw/zinc/20/11/49/1416201149.db2.gz CIMFADQUIBKWON-XUEUYAKLSA-N 2 2 382.508 3.042 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(OC)c1OC ZINC000131010523 1416495650 /nfs/dbraw/zinc/49/56/50/1416495650.db2.gz CTJYJLKQVZUVEY-MRXNPFEDSA-N 2 2 385.508 3.423 10 0 GGAELP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccc(F)cc3F)C(C)(C)C)cn2)CC1 ZINC000134410925 1417066767 /nfs/dbraw/zinc/06/67/67/1417066767.db2.gz FBCVABATMAOLEQ-IBGZPJMESA-N 2 2 389.494 3.384 10 0 GGAELP CCOc1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559525 1417326471 /nfs/dbraw/zinc/32/64/71/1417326471.db2.gz BITAHNLNAUQTCO-SFTDATJTSA-N 2 2 392.588 3.104 10 0 GGAELP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136602962 1417331015 /nfs/dbraw/zinc/33/10/15/1417331015.db2.gz COOCPPGICTUHRN-RTWAWAEBSA-N 2 2 388.943 3.383 10 0 GGAELP C[C@H]1CCc2nc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)sc2C1 ZINC000152214586 1418175730 /nfs/dbraw/zinc/17/57/30/1418175730.db2.gz BJULRMDFTIJNIU-KRWDZBQOSA-N 2 2 384.593 3.305 10 0 GGAELP C[C@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)sc2C1 ZINC000152214586 1418175738 /nfs/dbraw/zinc/17/57/38/1418175738.db2.gz BJULRMDFTIJNIU-KRWDZBQOSA-N 2 2 384.593 3.305 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OC(F)(F)F ZINC000155286747 1423301222 /nfs/dbraw/zinc/30/12/22/1423301222.db2.gz IDTGQMNSLKVTAV-GDBMZVCRSA-N 2 2 387.446 3.179 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OC(F)(F)F ZINC000155286747 1423301237 /nfs/dbraw/zinc/30/12/37/1423301237.db2.gz IDTGQMNSLKVTAV-GDBMZVCRSA-N 2 2 387.446 3.179 10 0 GGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298868 1423306047 /nfs/dbraw/zinc/30/60/47/1423306047.db2.gz HKBNZIMPULPLKT-NVXWUHKLSA-N 2 2 383.483 3.190 10 0 GGAELP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298868 1423306060 /nfs/dbraw/zinc/30/60/60/1423306060.db2.gz HKBNZIMPULPLKT-NVXWUHKLSA-N 2 2 383.483 3.190 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000156432153 1423810045 /nfs/dbraw/zinc/81/00/45/1423810045.db2.gz BSDURJYCWWXUGE-PIPMEXSNSA-N 2 2 384.524 3.288 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000156432153 1423810047 /nfs/dbraw/zinc/81/00/47/1423810047.db2.gz BSDURJYCWWXUGE-PIPMEXSNSA-N 2 2 384.524 3.288 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156511444 1423821268 /nfs/dbraw/zinc/82/12/68/1423821268.db2.gz BOQYGGIQNOBAEJ-KNQAVFIVSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156511444 1423821269 /nfs/dbraw/zinc/82/12/69/1423821269.db2.gz BOQYGGIQNOBAEJ-KNQAVFIVSA-N 2 2 380.536 3.247 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000157150093 1423938043 /nfs/dbraw/zinc/93/80/43/1423938043.db2.gz UHKKLNRKHAVPIC-GOSISDBHSA-N 2 2 390.890 3.273 10 0 GGAELP O=C(NC[C@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000166067062 1425205645 /nfs/dbraw/zinc/20/56/45/1425205645.db2.gz ABBHYLDKOGGCHG-JOCHJYFZSA-N 2 2 390.487 3.071 10 0 GGAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000171650263 1425772943 /nfs/dbraw/zinc/77/29/43/1425772943.db2.gz XMAJWYWMJLFZPP-MBSDFSHPSA-N 2 2 378.520 3.391 10 0 GGAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000171650263 1425772949 /nfs/dbraw/zinc/77/29/49/1425772949.db2.gz XMAJWYWMJLFZPP-MBSDFSHPSA-N 2 2 378.520 3.391 10 0 GGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000171650269 1425772976 /nfs/dbraw/zinc/77/29/76/1425772976.db2.gz XMAJWYWMJLFZPP-JPYJTQIMSA-N 2 2 378.520 3.391 10 0 GGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000171650269 1425772981 /nfs/dbraw/zinc/77/29/81/1425772981.db2.gz XMAJWYWMJLFZPP-JPYJTQIMSA-N 2 2 378.520 3.391 10 0 GGAELP COc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268736 1425976091 /nfs/dbraw/zinc/97/60/91/1425976091.db2.gz NTLVBTKVWXKMMV-NRFANRHFSA-N 2 2 384.520 3.031 10 0 GGAELP COc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268736 1425976097 /nfs/dbraw/zinc/97/60/97/1425976097.db2.gz NTLVBTKVWXKMMV-NRFANRHFSA-N 2 2 384.520 3.031 10 0 GGAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294438 1427089108 /nfs/dbraw/zinc/08/91/08/1427089108.db2.gz AGZIYOQYNDKINM-KRWDZBQOSA-N 2 2 383.540 3.279 10 0 GGAELP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000174301525 1427092308 /nfs/dbraw/zinc/09/23/08/1427092308.db2.gz HPQJWWRKBXPTTG-IBGZPJMESA-N 2 2 395.547 3.305 10 0 GGAELP C[C@@H]([NH2+]CCCN1C(=O)COc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181151540 1430228236 /nfs/dbraw/zinc/22/82/36/1430228236.db2.gz DDZJMQWPDFIYAG-QGZVFWFLSA-N 2 2 376.460 3.339 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921948 1430813625 /nfs/dbraw/zinc/81/36/25/1430813625.db2.gz CHQJBEISDTWZND-FUHWJXTLSA-N 2 2 386.565 3.055 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183921948 1430813628 /nfs/dbraw/zinc/81/36/28/1430813628.db2.gz CHQJBEISDTWZND-FUHWJXTLSA-N 2 2 386.565 3.055 10 0 GGAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000185272586 1431097740 /nfs/dbraw/zinc/09/77/40/1431097740.db2.gz CHIFMLQJYJSGHT-DYESRHJHSA-N 2 2 386.511 3.022 10 0 GGAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000185272586 1431097744 /nfs/dbraw/zinc/09/77/44/1431097744.db2.gz CHIFMLQJYJSGHT-DYESRHJHSA-N 2 2 386.511 3.022 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000186309766 1431378517 /nfs/dbraw/zinc/37/85/17/1431378517.db2.gz FTELLUDKBQHXNG-QGZVFWFLSA-N 2 2 384.524 3.261 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000186309766 1431378520 /nfs/dbraw/zinc/37/85/20/1431378520.db2.gz FTELLUDKBQHXNG-QGZVFWFLSA-N 2 2 384.524 3.261 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000186311112 1431378934 /nfs/dbraw/zinc/37/89/34/1431378934.db2.gz BOQUXPGPCPKLKY-HDICACEKSA-N 2 2 398.551 3.365 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000186311112 1431378940 /nfs/dbraw/zinc/37/89/40/1431378940.db2.gz BOQUXPGPCPKLKY-HDICACEKSA-N 2 2 398.551 3.365 10 0 GGAELP COc1ccccc1[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000237259631 1433394690 /nfs/dbraw/zinc/39/46/90/1433394690.db2.gz GOGRHACESMCQAL-VXKWHMMOSA-N 2 2 393.531 3.053 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245558276 1433485161 /nfs/dbraw/zinc/48/51/61/1433485161.db2.gz BDOHURDCXPATKE-SUMWQHHRSA-N 2 2 398.404 3.240 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245558276 1433485162 /nfs/dbraw/zinc/48/51/62/1433485162.db2.gz BDOHURDCXPATKE-SUMWQHHRSA-N 2 2 398.404 3.240 10 0 GGAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562848 1433485375 /nfs/dbraw/zinc/48/53/75/1433485375.db2.gz CTHLQZJYNFRUSE-JFIYKMOQSA-N 2 2 397.548 3.423 10 0 GGAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562848 1433485376 /nfs/dbraw/zinc/48/53/76/1433485376.db2.gz CTHLQZJYNFRUSE-JFIYKMOQSA-N 2 2 397.548 3.423 10 0 GGAELP CN(C(=O)[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627443 1433492579 /nfs/dbraw/zinc/49/25/79/1433492579.db2.gz CNDONKNTIJRKCS-KSEOMHKRSA-N 2 2 399.579 3.033 10 0 GGAELP CN(C(=O)[C@@H]1COc2ccccc2C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627443 1433492581 /nfs/dbraw/zinc/49/25/81/1433492581.db2.gz CNDONKNTIJRKCS-KSEOMHKRSA-N 2 2 399.579 3.033 10 0 GGAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000246200547 1433581193 /nfs/dbraw/zinc/58/11/93/1433581193.db2.gz XMAJWYWMJLFZPP-WZONZLPQSA-N 2 2 378.520 3.391 10 0 GGAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)[nH+]1 ZINC000246200547 1433581197 /nfs/dbraw/zinc/58/11/97/1433581197.db2.gz XMAJWYWMJLFZPP-WZONZLPQSA-N 2 2 378.520 3.391 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221287 1433583446 /nfs/dbraw/zinc/58/34/46/1433583446.db2.gz DNBNNEJLJYWHIN-GOTSBHOMSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221287 1433583448 /nfs/dbraw/zinc/58/34/48/1433583448.db2.gz DNBNNEJLJYWHIN-GOTSBHOMSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512819 1433623768 /nfs/dbraw/zinc/62/37/68/1433623768.db2.gz IBYIPPAROZOVNW-WBAXXEDZSA-N 2 2 386.883 3.060 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512819 1433623772 /nfs/dbraw/zinc/62/37/72/1433623772.db2.gz IBYIPPAROZOVNW-WBAXXEDZSA-N 2 2 386.883 3.060 10 0 GGAELP COc1cc(C[N@@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000257178317 1433893647 /nfs/dbraw/zinc/89/36/47/1433893647.db2.gz ZWTRUHDCBWVNSF-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cc(C[N@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000257178317 1433893648 /nfs/dbraw/zinc/89/36/48/1433893648.db2.gz ZWTRUHDCBWVNSF-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cc(C[NH+]2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000257178317 1433893649 /nfs/dbraw/zinc/89/36/49/1433893649.db2.gz ZWTRUHDCBWVNSF-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP COc1cc(C[NH+]2CC[C@]3(CO)C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1 ZINC000257178317 1433893650 /nfs/dbraw/zinc/89/36/50/1433893650.db2.gz ZWTRUHDCBWVNSF-XUZZJYLKSA-N 2 2 396.531 3.020 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798781 1435093505 /nfs/dbraw/zinc/09/35/05/1435093505.db2.gz DWVRKWLXKBWVKO-NQIIRXRSSA-N 2 2 395.551 3.437 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798781 1435093509 /nfs/dbraw/zinc/09/35/09/1435093509.db2.gz DWVRKWLXKBWVKO-NQIIRXRSSA-N 2 2 395.551 3.437 10 0 GGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798782 1435093553 /nfs/dbraw/zinc/09/35/53/1435093553.db2.gz DWVRKWLXKBWVKO-RXVVDRJESA-N 2 2 395.551 3.437 10 0 GGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798782 1435093555 /nfs/dbraw/zinc/09/35/55/1435093555.db2.gz DWVRKWLXKBWVKO-RXVVDRJESA-N 2 2 395.551 3.437 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000328652987 212088819 /nfs/dbraw/zinc/08/88/19/212088819.db2.gz WRVIBBMABRSXTC-PGRDOPGGSA-N 2 2 386.540 3.342 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000328652987 212088823 /nfs/dbraw/zinc/08/88/23/212088823.db2.gz WRVIBBMABRSXTC-PGRDOPGGSA-N 2 2 386.540 3.342 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000328652987 212088825 /nfs/dbraw/zinc/08/88/25/212088825.db2.gz WRVIBBMABRSXTC-PGRDOPGGSA-N 2 2 386.540 3.342 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000328652987 212088828 /nfs/dbraw/zinc/08/88/28/212088828.db2.gz WRVIBBMABRSXTC-PGRDOPGGSA-N 2 2 386.540 3.342 10 0 GGAELP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517064 221199848 /nfs/dbraw/zinc/19/98/48/221199848.db2.gz GAQMYXXCZHBJGH-MRXNPFEDSA-N 2 2 398.473 3.041 10 0 GGAELP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517064 221199851 /nfs/dbraw/zinc/19/98/51/221199851.db2.gz GAQMYXXCZHBJGH-MRXNPFEDSA-N 2 2 398.473 3.041 10 0 GGAELP CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000012919196 221245561 /nfs/dbraw/zinc/24/55/61/221245561.db2.gz LVHMNEXNUQACNG-OAQYLSRUSA-N 2 2 386.927 3.371 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(Cl)cc2)C3)CC1 ZINC000015779549 221344840 /nfs/dbraw/zinc/34/48/40/221344840.db2.gz IHDJPQPRBSFNLW-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(Cl)cc2)C3)CC1 ZINC000015779549 221344842 /nfs/dbraw/zinc/34/48/42/221344842.db2.gz IHDJPQPRBSFNLW-UHFFFAOYSA-N 2 2 385.943 3.220 10 0 GGAELP C[C@H](Nc1ccc([NH+]2CCCC2)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057270651 222029932 /nfs/dbraw/zinc/02/99/32/222029932.db2.gz NNGMAGISELJELI-FQEVSTJZSA-N 2 2 392.547 3.432 10 0 GGAELP CCCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000065210850 222110985 /nfs/dbraw/zinc/11/09/85/222110985.db2.gz MQKRRFOFCOZZCB-UHFFFAOYSA-N 2 2 394.563 3.141 10 0 GGAELP CCCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000065210850 222110989 /nfs/dbraw/zinc/11/09/89/222110989.db2.gz MQKRRFOFCOZZCB-UHFFFAOYSA-N 2 2 394.563 3.141 10 0 GGAELP O=C(CCc1cc[nH+]c(N2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065269594 222119068 /nfs/dbraw/zinc/11/90/68/222119068.db2.gz OGXKOLZRNRFZIJ-UHFFFAOYSA-N 2 2 392.547 3.395 10 0 GGAELP COc1ccc(CC[N@H+](C)[C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)cc1OC ZINC000072127293 222208453 /nfs/dbraw/zinc/20/84/53/222208453.db2.gz ZSAXDXQXWPGDSU-KRWDZBQOSA-N 2 2 395.507 3.118 10 0 GGAELP COc1ccc(CC[N@@H+](C)[C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)cc1OC ZINC000072127293 222208457 /nfs/dbraw/zinc/20/84/57/222208457.db2.gz ZSAXDXQXWPGDSU-KRWDZBQOSA-N 2 2 395.507 3.118 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccoc3)n2)C1 ZINC000082039629 222307345 /nfs/dbraw/zinc/30/73/45/222307345.db2.gz JFOFAAZVTXESHB-UHFFFAOYSA-N 2 2 376.420 3.290 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccoc3)n2)C1 ZINC000082039629 222307348 /nfs/dbraw/zinc/30/73/48/222307348.db2.gz JFOFAAZVTXESHB-UHFFFAOYSA-N 2 2 376.420 3.290 10 0 GGAELP C[N@H+](Cc1cc(Br)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000116878832 564219078 /nfs/dbraw/zinc/21/90/78/564219078.db2.gz LMNVXHSIWWEDQW-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP C[N@@H+](Cc1cc(Br)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000116878832 564219080 /nfs/dbraw/zinc/21/90/80/564219080.db2.gz LMNVXHSIWWEDQW-UHFFFAOYSA-N 2 2 383.359 3.304 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420566 564270050 /nfs/dbraw/zinc/27/00/50/564270050.db2.gz BPOIICHZSOFWFZ-GOSISDBHSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000119420566 564270053 /nfs/dbraw/zinc/27/00/53/564270053.db2.gz BPOIICHZSOFWFZ-GOSISDBHSA-N 2 2 386.367 3.474 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672957 564428287 /nfs/dbraw/zinc/42/82/87/564428287.db2.gz CNGYLIWDILQLRR-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672957 564428291 /nfs/dbraw/zinc/42/82/91/564428291.db2.gz CNGYLIWDILQLRR-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815421 564462592 /nfs/dbraw/zinc/46/25/92/564462592.db2.gz JJKFQDDPQHSSMA-DGCLKSJQSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000123815421 564462595 /nfs/dbraw/zinc/46/25/95/564462595.db2.gz JJKFQDDPQHSSMA-DGCLKSJQSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815421 564462597 /nfs/dbraw/zinc/46/25/97/564462597.db2.gz JJKFQDDPQHSSMA-DGCLKSJQSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815421 564462601 /nfs/dbraw/zinc/46/26/01/564462601.db2.gz JJKFQDDPQHSSMA-DGCLKSJQSA-N 2 2 375.847 3.294 10 0 GGAELP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000051953183 564567486 /nfs/dbraw/zinc/56/74/86/564567486.db2.gz BZMNKELMDVWSCH-UHFFFAOYSA-N 2 2 398.320 3.477 10 0 GGAELP Brc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2c1 ZINC000134188091 564796488 /nfs/dbraw/zinc/79/64/88/564796488.db2.gz JWALELWGMHUFHZ-UHFFFAOYSA-N 2 2 377.330 3.405 10 0 GGAELP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000134695059 564812905 /nfs/dbraw/zinc/81/29/05/564812905.db2.gz KVVQECNPMNGSTJ-CRAIPNDOSA-N 2 2 394.357 3.044 10 0 GGAELP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000134695059 564812909 /nfs/dbraw/zinc/81/29/09/564812909.db2.gz KVVQECNPMNGSTJ-CRAIPNDOSA-N 2 2 394.357 3.044 10 0 GGAELP C[NH+](C)C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000135437251 564830966 /nfs/dbraw/zinc/83/09/66/564830966.db2.gz NNRXLQUTZHRTFG-SFHVURJKSA-N 2 2 394.357 3.139 10 0 GGAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000095400277 564898933 /nfs/dbraw/zinc/89/89/33/564898933.db2.gz BWBCWGDOLIIYDN-AZUAARDMSA-N 2 2 389.337 3.422 10 0 GGAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000095400277 564898937 /nfs/dbraw/zinc/89/89/37/564898937.db2.gz BWBCWGDOLIIYDN-AZUAARDMSA-N 2 2 389.337 3.422 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000106217244 564980140 /nfs/dbraw/zinc/98/01/40/564980140.db2.gz PJCXWOYXICSSCI-MRXNPFEDSA-N 2 2 391.313 3.484 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000106217244 564980142 /nfs/dbraw/zinc/98/01/42/564980142.db2.gz PJCXWOYXICSSCI-MRXNPFEDSA-N 2 2 391.313 3.484 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000109790146 565032175 /nfs/dbraw/zinc/03/21/75/565032175.db2.gz CPAZLIPESVHBQG-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000111241487 565052114 /nfs/dbraw/zinc/05/21/14/565052114.db2.gz JILITFNSHVRTTB-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762836 565089852 /nfs/dbraw/zinc/08/98/52/565089852.db2.gz QNRLLBWCHUKZST-UHFFFAOYSA-N 2 2 391.313 3.010 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000157229050 565124072 /nfs/dbraw/zinc/12/40/72/565124072.db2.gz NPZKQTZYPDYYCY-RDJZCZTQSA-N 2 2 391.313 3.072 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000157229050 565124075 /nfs/dbraw/zinc/12/40/75/565124075.db2.gz NPZKQTZYPDYYCY-RDJZCZTQSA-N 2 2 391.313 3.072 10 0 GGAELP Cn1cc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000292810689 565135551 /nfs/dbraw/zinc/13/55/51/565135551.db2.gz CEBHZTURWHMCTR-CYBMUJFWSA-N 2 2 378.318 3.095 10 0 GGAELP Cn1cc(Br)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000292810689 565135555 /nfs/dbraw/zinc/13/55/55/565135555.db2.gz CEBHZTURWHMCTR-CYBMUJFWSA-N 2 2 378.318 3.095 10 0 GGAELP Cn1cc(Br)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000292810690 565135988 /nfs/dbraw/zinc/13/59/88/565135988.db2.gz CEBHZTURWHMCTR-ZDUSSCGKSA-N 2 2 378.318 3.095 10 0 GGAELP Cn1cc(Br)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000292810690 565135994 /nfs/dbraw/zinc/13/59/94/565135994.db2.gz CEBHZTURWHMCTR-ZDUSSCGKSA-N 2 2 378.318 3.095 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370730502 565158272 /nfs/dbraw/zinc/15/82/72/565158272.db2.gz OORCWTDTJFVVQG-OAHLLOKOSA-N 2 2 394.313 3.235 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370730502 565158278 /nfs/dbraw/zinc/15/82/78/565158278.db2.gz OORCWTDTJFVVQG-OAHLLOKOSA-N 2 2 394.313 3.235 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCCCO2 ZINC000188410159 565400332 /nfs/dbraw/zinc/40/03/32/565400332.db2.gz ILYDVXJIMIDZTB-OAHLLOKOSA-N 2 2 392.297 3.472 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCCCO2 ZINC000188410159 565400335 /nfs/dbraw/zinc/40/03/35/565400335.db2.gz ILYDVXJIMIDZTB-OAHLLOKOSA-N 2 2 392.297 3.472 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188415569 565400387 /nfs/dbraw/zinc/40/03/87/565400387.db2.gz WUSLPAZZLXRZOL-AWEZNQCLSA-N 2 2 378.270 3.081 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188415569 565400392 /nfs/dbraw/zinc/40/03/92/565400392.db2.gz WUSLPAZZLXRZOL-AWEZNQCLSA-N 2 2 378.270 3.081 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377729865 565495474 /nfs/dbraw/zinc/49/54/74/565495474.db2.gz ZDBUPTJVMQITJP-GFCCVEGCSA-N 2 2 380.286 3.227 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377729865 565495478 /nfs/dbraw/zinc/49/54/78/565495478.db2.gz ZDBUPTJVMQITJP-GFCCVEGCSA-N 2 2 380.286 3.227 10 0 GGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc(Br)c1OC ZINC000377769611 565498834 /nfs/dbraw/zinc/49/88/34/565498834.db2.gz AVLKFXWRPBMCCO-GFCCVEGCSA-N 2 2 380.286 3.227 10 0 GGAELP CCOc1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc(Br)c1OC ZINC000377769611 565498838 /nfs/dbraw/zinc/49/88/38/565498838.db2.gz AVLKFXWRPBMCCO-GFCCVEGCSA-N 2 2 380.286 3.227 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799492 565499352 /nfs/dbraw/zinc/49/93/52/565499352.db2.gz VIELJCARBFOHFA-SMDDNHRTSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799492 565499355 /nfs/dbraw/zinc/49/93/55/565499355.db2.gz VIELJCARBFOHFA-SMDDNHRTSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799490 565499678 /nfs/dbraw/zinc/49/96/78/565499678.db2.gz VIELJCARBFOHFA-FZMZJTMJSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799490 565499681 /nfs/dbraw/zinc/49/96/81/565499681.db2.gz VIELJCARBFOHFA-FZMZJTMJSA-N 2 2 377.286 3.036 10 0 GGAELP C[NH+]1CCC(CNC(=O)c2ccccc2Br)([NH+]2CCCCC2)CC1 ZINC000172751961 565502504 /nfs/dbraw/zinc/50/25/04/565502504.db2.gz ISTCDPLQFGCESB-UHFFFAOYSA-N 2 2 394.357 3.129 10 0 GGAELP C[NH+]1CCC(CNC(=O)CCc2cc(Cl)cs2)([NH+]2CCCCC2)CC1 ZINC000172749662 565502964 /nfs/dbraw/zinc/50/29/64/565502964.db2.gz RXZRHKUBURHYII-UHFFFAOYSA-N 2 2 383.989 3.401 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000383871747 565543996 /nfs/dbraw/zinc/54/39/96/565543996.db2.gz HWZMOENBHDMWKG-XYJFISCASA-N 2 2 389.341 3.183 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000383871747 565544003 /nfs/dbraw/zinc/54/40/03/565544003.db2.gz HWZMOENBHDMWKG-XYJFISCASA-N 2 2 389.341 3.183 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278357943 565553519 /nfs/dbraw/zinc/55/35/19/565553519.db2.gz IOEUHPLRGXODSD-ALOPSCKCSA-N 2 2 389.341 3.468 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278357943 565553523 /nfs/dbraw/zinc/55/35/23/565553523.db2.gz IOEUHPLRGXODSD-ALOPSCKCSA-N 2 2 389.341 3.468 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281803 565553575 /nfs/dbraw/zinc/55/35/75/565553575.db2.gz UTRUDPBMQQRZTH-LLVKDONJSA-N 2 2 392.135 3.404 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(Br)c2)C1 ZINC000389281803 565553579 /nfs/dbraw/zinc/55/35/79/565553579.db2.gz UTRUDPBMQQRZTH-LLVKDONJSA-N 2 2 392.135 3.404 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278346379 565553583 /nfs/dbraw/zinc/55/35/83/565553583.db2.gz HJFIVWBILDDTLQ-CYBMUJFWSA-N 2 2 383.359 3.246 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000278346379 565553587 /nfs/dbraw/zinc/55/35/87/565553587.db2.gz HJFIVWBILDDTLQ-CYBMUJFWSA-N 2 2 383.359 3.246 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139318 565560047 /nfs/dbraw/zinc/56/00/47/565560047.db2.gz QRRXURDPUGLOMA-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139318 565560053 /nfs/dbraw/zinc/56/00/53/565560053.db2.gz QRRXURDPUGLOMA-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139316 565560279 /nfs/dbraw/zinc/56/02/79/565560279.db2.gz QRRXURDPUGLOMA-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000391139316 565560283 /nfs/dbraw/zinc/56/02/83/565560283.db2.gz QRRXURDPUGLOMA-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1F ZINC000278554850 565565832 /nfs/dbraw/zinc/56/58/32/565565832.db2.gz VMGNWPBGBPBMMH-UHFFFAOYSA-N 2 2 378.249 3.106 10 0 GGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546215 565587416 /nfs/dbraw/zinc/58/74/16/565587416.db2.gz WLIXQLOXJQGLSV-LJWDBELGSA-N 2 2 376.669 3.114 10 0 GGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546215 565587421 /nfs/dbraw/zinc/58/74/21/565587421.db2.gz WLIXQLOXJQGLSV-LJWDBELGSA-N 2 2 376.669 3.114 10 0 GGAELP C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000408257778 565600476 /nfs/dbraw/zinc/60/04/76/565600476.db2.gz VVVVXDZXZCTGEU-GFCCVEGCSA-N 2 2 386.327 3.021 10 0 GGAELP C[C@@H]1CN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000408257778 565600481 /nfs/dbraw/zinc/60/04/81/565600481.db2.gz VVVVXDZXZCTGEU-GFCCVEGCSA-N 2 2 386.327 3.021 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128706 565604517 /nfs/dbraw/zinc/60/45/17/565604517.db2.gz FKMVFXNPEMQSTJ-CZUORRHYSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128706 565604519 /nfs/dbraw/zinc/60/45/19/565604519.db2.gz FKMVFXNPEMQSTJ-CZUORRHYSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128708 565604598 /nfs/dbraw/zinc/60/45/98/565604598.db2.gz FKMVFXNPEMQSTJ-XJKSGUPXSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128708 565604600 /nfs/dbraw/zinc/60/46/00/565604600.db2.gz FKMVFXNPEMQSTJ-XJKSGUPXSA-N 2 2 381.314 3.184 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955707 565608095 /nfs/dbraw/zinc/60/80/95/565608095.db2.gz HSMITTXHVFFVGX-CZUORRHYSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955707 565608099 /nfs/dbraw/zinc/60/80/99/565608099.db2.gz HSMITTXHVFFVGX-CZUORRHYSA-N 2 2 383.330 3.430 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156550 565616541 /nfs/dbraw/zinc/61/65/41/565616541.db2.gz AJDOGNZGDRIWFY-GDBMZVCRSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156550 565616546 /nfs/dbraw/zinc/61/65/46/565616546.db2.gz AJDOGNZGDRIWFY-GDBMZVCRSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156553 565616658 /nfs/dbraw/zinc/61/66/58/565616658.db2.gz AJDOGNZGDRIWFY-GOEBONIOSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000324156553 565616664 /nfs/dbraw/zinc/61/66/64/565616664.db2.gz AJDOGNZGDRIWFY-GOEBONIOSA-N 2 2 391.313 3.463 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770714 565657649 /nfs/dbraw/zinc/65/76/49/565657649.db2.gz NFIQGSGXGGCEPJ-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770714 565657652 /nfs/dbraw/zinc/65/76/52/565657652.db2.gz NFIQGSGXGGCEPJ-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770714 565657655 /nfs/dbraw/zinc/65/76/55/565657655.db2.gz NFIQGSGXGGCEPJ-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770714 565657658 /nfs/dbraw/zinc/65/76/58/565657658.db2.gz NFIQGSGXGGCEPJ-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769613 565657668 /nfs/dbraw/zinc/65/76/68/565657668.db2.gz RMVFVLCDBXLXOJ-MLGOLLRUSA-N 2 2 386.309 3.189 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769613 565657672 /nfs/dbraw/zinc/65/76/72/565657672.db2.gz RMVFVLCDBXLXOJ-MLGOLLRUSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769613 565657676 /nfs/dbraw/zinc/65/76/76/565657676.db2.gz RMVFVLCDBXLXOJ-MLGOLLRUSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769613 565657680 /nfs/dbraw/zinc/65/76/80/565657680.db2.gz RMVFVLCDBXLXOJ-MLGOLLRUSA-N 2 2 386.309 3.189 10 0 GGAELP Brc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)o2)o1 ZINC000193077411 565731878 /nfs/dbraw/zinc/73/18/78/565731878.db2.gz UOZYCGSSMOWSMS-UHFFFAOYSA-N 2 2 395.301 3.400 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282830085 565799764 /nfs/dbraw/zinc/79/97/64/565799764.db2.gz USMDIVUWBDYXNV-ZDUSSCGKSA-N 2 2 378.318 3.095 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282830085 565799769 /nfs/dbraw/zinc/79/97/69/565799769.db2.gz USMDIVUWBDYXNV-ZDUSSCGKSA-N 2 2 378.318 3.095 10 0 GGAELP CCN1CC[NH+](C[C@H](C)CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413082115 565833039 /nfs/dbraw/zinc/83/30/39/565833039.db2.gz QJJIXMXRUMOWFA-OAHLLOKOSA-N 2 2 391.357 3.105 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCOc3ccc(I)cc32)c1 ZINC000414120005 565896696 /nfs/dbraw/zinc/89/66/96/565896696.db2.gz AEFWXDMPYWQASQ-OAHLLOKOSA-N 2 2 397.260 3.071 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300162 565911140 /nfs/dbraw/zinc/91/11/40/565911140.db2.gz UGSXXXSYJITOEJ-CABCVRRESA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300162 565911143 /nfs/dbraw/zinc/91/11/43/565911143.db2.gz UGSXXXSYJITOEJ-CABCVRRESA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300146 565911305 /nfs/dbraw/zinc/91/13/05/565911305.db2.gz UGSXXXSYJITOEJ-GJZGRUSLSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1c(Cl)cccc1Cl ZINC000178300146 565911311 /nfs/dbraw/zinc/91/13/11/565911311.db2.gz UGSXXXSYJITOEJ-GJZGRUSLSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303023 565912413 /nfs/dbraw/zinc/91/24/13/565912413.db2.gz MBRVHSRNAUAZPC-MRXNPFEDSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303023 565912418 /nfs/dbraw/zinc/91/24/18/565912418.db2.gz MBRVHSRNAUAZPC-MRXNPFEDSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000178318894 565912435 /nfs/dbraw/zinc/91/24/35/565912435.db2.gz HWARPBTYRVUBNG-CQSZACIVSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000178318894 565912438 /nfs/dbraw/zinc/91/24/38/565912438.db2.gz HWARPBTYRVUBNG-CQSZACIVSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000178325584 565912608 /nfs/dbraw/zinc/91/26/08/565912608.db2.gz VIJNUVFCLHDJAQ-MRXNPFEDSA-N 2 2 381.261 3.461 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000178325584 565912614 /nfs/dbraw/zinc/91/26/14/565912614.db2.gz VIJNUVFCLHDJAQ-MRXNPFEDSA-N 2 2 381.261 3.461 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1Br ZINC000178318876 565912722 /nfs/dbraw/zinc/91/27/22/565912722.db2.gz HWARPBTYRVUBNG-AWEZNQCLSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1Br ZINC000178318876 565912725 /nfs/dbraw/zinc/91/27/25/565912725.db2.gz HWARPBTYRVUBNG-AWEZNQCLSA-N 2 2 377.286 3.057 10 0 GGAELP O[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517886 565922972 /nfs/dbraw/zinc/92/29/72/565922972.db2.gz GQIKFFZTGDEWDR-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178656457 565931697 /nfs/dbraw/zinc/93/16/97/565931697.db2.gz IYXXMZIIYMJWLG-KRWDZBQOSA-N 2 2 383.330 3.363 10 0 GGAELP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360017025 565955819 /nfs/dbraw/zinc/95/58/19/565955819.db2.gz CAFCSWQOAGIWFQ-UHFFFAOYSA-N 2 2 397.342 3.072 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415013040 565971017 /nfs/dbraw/zinc/97/10/17/565971017.db2.gz UMBNEEQQXGHGOD-RKDXNWHRSA-N 2 2 380.124 3.436 10 0 GGAELP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415101511 565973143 /nfs/dbraw/zinc/97/31/43/565973143.db2.gz CCMBAIRSYKFFSI-AWEZNQCLSA-N 2 2 382.327 3.122 10 0 GGAELP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415101511 565973147 /nfs/dbraw/zinc/97/31/47/565973147.db2.gz CCMBAIRSYKFFSI-AWEZNQCLSA-N 2 2 382.327 3.122 10 0 GGAELP COc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000415072572 565973547 /nfs/dbraw/zinc/97/35/47/565973547.db2.gz WVTCGQQDNACTJL-LLVKDONJSA-N 2 2 379.245 3.291 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437402 565989893 /nfs/dbraw/zinc/98/98/93/565989893.db2.gz RMVFVLCDBXLXOJ-LRDDRELGSA-N 2 2 386.309 3.189 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437402 565989897 /nfs/dbraw/zinc/98/98/97/565989897.db2.gz RMVFVLCDBXLXOJ-LRDDRELGSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437402 565989903 /nfs/dbraw/zinc/98/99/03/565989903.db2.gz RMVFVLCDBXLXOJ-LRDDRELGSA-N 2 2 386.309 3.189 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC000245437402 565989909 /nfs/dbraw/zinc/98/99/09/565989909.db2.gz RMVFVLCDBXLXOJ-LRDDRELGSA-N 2 2 386.309 3.189 10 0 GGAELP C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1n1cc[nH+]c1 ZINC000245696990 566001530 /nfs/dbraw/zinc/00/15/30/566001530.db2.gz RAXZHWARCTUUAY-NWDGAFQWSA-N 2 2 392.257 3.372 10 0 GGAELP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@H]1n1cc[nH+]c1 ZINC000245696990 566001536 /nfs/dbraw/zinc/00/15/36/566001536.db2.gz RAXZHWARCTUUAY-NWDGAFQWSA-N 2 2 392.257 3.372 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H](C)C1 ZINC000246273191 566024261 /nfs/dbraw/zinc/02/42/61/566024261.db2.gz AVJNMBBBYDLCFF-WFASDCNBSA-N 2 2 378.318 3.054 10 0 GGAELP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@@H](C)C1 ZINC000246273191 566024265 /nfs/dbraw/zinc/02/42/65/566024265.db2.gz AVJNMBBBYDLCFF-WFASDCNBSA-N 2 2 378.318 3.054 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246585282 566034191 /nfs/dbraw/zinc/03/41/91/566034191.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246585282 566034192 /nfs/dbraw/zinc/03/41/92/566034192.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246585282 566034197 /nfs/dbraw/zinc/03/41/97/566034197.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246585282 566034203 /nfs/dbraw/zinc/03/42/03/566034203.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920504 566045845 /nfs/dbraw/zinc/04/58/45/566045845.db2.gz GNOPACSRLRFKOW-HIFRSBDPSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920504 566045846 /nfs/dbraw/zinc/04/58/46/566045846.db2.gz GNOPACSRLRFKOW-HIFRSBDPSA-N 2 2 391.313 3.446 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056269 /nfs/dbraw/zinc/05/62/69/566056269.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 2 383.290 3.254 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056276 /nfs/dbraw/zinc/05/62/76/566056276.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056285 /nfs/dbraw/zinc/05/62/85/566056285.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056291 /nfs/dbraw/zinc/05/62/91/566056291.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 2 383.290 3.254 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248565383 566081082 /nfs/dbraw/zinc/08/10/82/566081082.db2.gz ORKLMHRUCKREHF-RHSMWYFYSA-N 2 2 382.277 3.291 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248565383 566081083 /nfs/dbraw/zinc/08/10/83/566081083.db2.gz ORKLMHRUCKREHF-RHSMWYFYSA-N 2 2 382.277 3.291 10 0 GGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248551617 566081577 /nfs/dbraw/zinc/08/15/77/566081577.db2.gz IRXFUFFGOFDQPR-RDTXWAMCSA-N 2 2 375.314 3.260 10 0 GGAELP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248551617 566081583 /nfs/dbraw/zinc/08/15/83/566081583.db2.gz IRXFUFFGOFDQPR-RDTXWAMCSA-N 2 2 375.314 3.260 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248571120 566082975 /nfs/dbraw/zinc/08/29/75/566082975.db2.gz RAEVKBDXWMMJKN-RDTXWAMCSA-N 2 2 375.314 3.260 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248571120 566082981 /nfs/dbraw/zinc/08/29/81/566082981.db2.gz RAEVKBDXWMMJKN-RDTXWAMCSA-N 2 2 375.314 3.260 10 0 GGAELP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000252476800 566114413 /nfs/dbraw/zinc/11/44/13/566114413.db2.gz BWBCWGDOLIIYDN-UYAOXDASSA-N 2 2 389.337 3.422 10 0 GGAELP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1Br ZINC000252476800 566114419 /nfs/dbraw/zinc/11/44/19/566114419.db2.gz BWBCWGDOLIIYDN-UYAOXDASSA-N 2 2 389.337 3.422 10 0 GGAELP C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261709264 566130752 /nfs/dbraw/zinc/13/07/52/566130752.db2.gz DIRJNDSGQOQNTP-APWZRJJASA-N 2 2 397.357 3.438 10 0 GGAELP C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@@]1(C)CC[NH2+]C1 ZINC000261709264 566130756 /nfs/dbraw/zinc/13/07/56/566130756.db2.gz DIRJNDSGQOQNTP-APWZRJJASA-N 2 2 397.357 3.438 10 0 GGAELP Brc1ccccc1-n1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC000290357134 566168396 /nfs/dbraw/zinc/16/83/96/566168396.db2.gz GFUHMNCFQWMKEL-UHFFFAOYSA-N 2 2 387.285 3.133 10 0 GGAELP Ic1cccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000367069738 566183526 /nfs/dbraw/zinc/18/35/26/566183526.db2.gz YPOCOPFTJWDEKN-UHFFFAOYSA-N 2 2 390.228 3.162 10 0 GGAELP COc1cc(Br)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368075160 566229683 /nfs/dbraw/zinc/22/96/83/566229683.db2.gz KTYUGLIHNGTVQQ-JFIYKMOQSA-N 2 2 383.330 3.141 10 0 GGAELP COc1cc(Br)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368075160 566229686 /nfs/dbraw/zinc/22/96/86/566229686.db2.gz KTYUGLIHNGTVQQ-JFIYKMOQSA-N 2 2 383.330 3.141 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368080678 566229848 /nfs/dbraw/zinc/22/98/48/566229848.db2.gz GUOJNTRYWDAEJG-OAHLLOKOSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368080678 566229850 /nfs/dbraw/zinc/22/98/50/566229850.db2.gz GUOJNTRYWDAEJG-OAHLLOKOSA-N 2 2 386.297 3.313 10 0 GGAELP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000419284698 566231631 /nfs/dbraw/zinc/23/16/31/566231631.db2.gz CVJOUXTZVZBSMQ-CYBMUJFWSA-N 2 2 380.330 3.383 10 0 GGAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(Cl)s1 ZINC000182958007 566231860 /nfs/dbraw/zinc/23/18/60/566231860.db2.gz ZEIGIPXFBCDLNK-ZDUSSCGKSA-N 2 2 383.970 3.458 10 0 GGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Br)cc1F ZINC000265469857 566237668 /nfs/dbraw/zinc/23/76/68/566237668.db2.gz HUKVRJRZMVBFEA-UHFFFAOYSA-N 2 2 381.249 3.129 10 0 GGAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc(Br)cc1 ZINC000265457523 566237888 /nfs/dbraw/zinc/23/78/88/566237888.db2.gz DQNKRFYTKMZSKA-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393570 566275560 /nfs/dbraw/zinc/27/55/60/566275560.db2.gz JYMGSCVOZGYWHB-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420393570 566275569 /nfs/dbraw/zinc/27/55/69/566275569.db2.gz JYMGSCVOZGYWHB-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000420380557 566276530 /nfs/dbraw/zinc/27/65/30/566276530.db2.gz CEKDOQZZCPJDGH-XJKSGUPXSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000420380557 566276536 /nfs/dbraw/zinc/27/65/36/566276536.db2.gz CEKDOQZZCPJDGH-XJKSGUPXSA-N 2 2 381.314 3.184 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420395046 566277125 /nfs/dbraw/zinc/27/71/25/566277125.db2.gz KPTINIMCAKDYJH-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420395046 566277131 /nfs/dbraw/zinc/27/71/31/566277131.db2.gz KPTINIMCAKDYJH-YOEHRIQHSA-N 2 2 380.330 3.160 10 0 GGAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000482032568 566277306 /nfs/dbraw/zinc/27/73/06/566277306.db2.gz HIPDDKZEUIYKHE-IRXDYDNUSA-N 2 2 381.973 3.409 10 0 GGAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000482032568 566277312 /nfs/dbraw/zinc/27/73/12/566277312.db2.gz HIPDDKZEUIYKHE-IRXDYDNUSA-N 2 2 381.973 3.409 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000482045265 566279347 /nfs/dbraw/zinc/27/93/47/566279347.db2.gz HPJJQZPTEJJKQK-STQMWFEESA-N 2 2 388.375 3.104 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000482045265 566279351 /nfs/dbraw/zinc/27/93/51/566279351.db2.gz HPJJQZPTEJJKQK-STQMWFEESA-N 2 2 388.375 3.104 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236236 566295641 /nfs/dbraw/zinc/29/56/41/566295641.db2.gz GOKXTAXMAPAGLC-NVXWUHKLSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000482236236 566295643 /nfs/dbraw/zinc/29/56/43/566295643.db2.gz GOKXTAXMAPAGLC-NVXWUHKLSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247088 566296406 /nfs/dbraw/zinc/29/64/06/566296406.db2.gz RIEHRKBHRZXAIF-NVXWUHKLSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247088 566296415 /nfs/dbraw/zinc/29/64/15/566296415.db2.gz RIEHRKBHRZXAIF-NVXWUHKLSA-N 2 2 383.330 3.363 10 0 GGAELP Brc1cnccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000625309144 566305410 /nfs/dbraw/zinc/30/54/10/566305410.db2.gz SEMOURICMUYZON-UHFFFAOYSA-N 2 2 382.346 3.169 10 0 GGAELP CN(C(=O)c1ccsc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502396 566329752 /nfs/dbraw/zinc/32/97/52/566329752.db2.gz YKXKBAMANKTXCQ-CYBMUJFWSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1ccsc1C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502396 566329756 /nfs/dbraw/zinc/32/97/56/566329756.db2.gz YKXKBAMANKTXCQ-CYBMUJFWSA-N 2 2 375.460 3.007 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000556939063 566348473 /nfs/dbraw/zinc/34/84/73/566348473.db2.gz APFVLESPGNQICG-NOZJJQNGSA-N 2 2 392.135 3.308 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000462774454 566350608 /nfs/dbraw/zinc/35/06/08/566350608.db2.gz CMJFLSUDHCNEGG-HNNXBMFYSA-N 2 2 387.307 3.434 10 0 GGAELP Cc1c[nH+]ccc1CC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796098 566360455 /nfs/dbraw/zinc/36/04/55/566360455.db2.gz FJJCZAZCCNYRKD-IBGZPJMESA-N 2 2 375.310 3.205 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951979 566370866 /nfs/dbraw/zinc/37/08/66/566370866.db2.gz HOIPLXUXUQMBAJ-SUNYJGFJSA-N 2 2 397.357 3.344 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951979 566370872 /nfs/dbraw/zinc/37/08/72/566370872.db2.gz HOIPLXUXUQMBAJ-SUNYJGFJSA-N 2 2 397.357 3.344 10 0 GGAELP CCC(C)(C)NC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933348 566420555 /nfs/dbraw/zinc/42/05/55/566420555.db2.gz CTCXTMWYCSWYOB-UHFFFAOYSA-N 2 2 397.317 3.046 10 0 GGAELP CCC(C)(C)NC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510933348 566420558 /nfs/dbraw/zinc/42/05/58/566420558.db2.gz CTCXTMWYCSWYOB-UHFFFAOYSA-N 2 2 397.317 3.046 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422562471 566456836 /nfs/dbraw/zinc/45/68/36/566456836.db2.gz QHIUYBSGFOTCCV-UHFFFAOYSA-N 2 2 383.330 3.192 10 0 GGAELP C[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871584 566462404 /nfs/dbraw/zinc/46/24/04/566462404.db2.gz DEAKSGRXOZLQKJ-CORIIIEPSA-N 2 2 376.854 3.453 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422746053 566463245 /nfs/dbraw/zinc/46/32/45/566463245.db2.gz YVYBWLVPRMFSOU-MSOLQXFVSA-N 2 2 379.342 3.227 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422746061 566463421 /nfs/dbraw/zinc/46/34/21/566463421.db2.gz YVYBWLVPRMFSOU-ZWKOTPCHSA-N 2 2 379.342 3.227 10 0 GGAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025475 566469692 /nfs/dbraw/zinc/46/96/92/566469692.db2.gz OJTOXHPNRNXKEE-ZWNOBZJWSA-N 2 2 381.236 3.325 10 0 GGAELP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1Br ZINC000423093482 566475315 /nfs/dbraw/zinc/47/53/15/566475315.db2.gz HRWGFDAGGITRLA-DTDBQYNISA-N 2 2 383.305 3.191 10 0 GGAELP C[C@@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122772 566477521 /nfs/dbraw/zinc/47/75/21/566477521.db2.gz CWYIGXHOOXHQJV-OLZOCXBDSA-N 2 2 394.313 3.430 10 0 GGAELP COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(Br)c1 ZINC000423233731 566483054 /nfs/dbraw/zinc/48/30/54/566483054.db2.gz ONGHJEQURQZIAU-CYBMUJFWSA-N 2 2 391.313 3.435 10 0 GGAELP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236524 566484019 /nfs/dbraw/zinc/48/40/19/566484019.db2.gz HLPFGAHIIHRNQG-KSSFIOAISA-N 2 2 392.341 3.412 10 0 GGAELP Fc1ccc2c(c1Br)CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242093 566484131 /nfs/dbraw/zinc/48/41/31/566484131.db2.gz YKNZPFRQZWWDLC-MRXNPFEDSA-N 2 2 391.288 3.492 10 0 GGAELP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236525 566484323 /nfs/dbraw/zinc/48/43/23/566484323.db2.gz HLPFGAHIIHRNQG-RDTXWAMCSA-N 2 2 392.341 3.412 10 0 GGAELP Cc1cc(N2CC[C@H]([NH2+]Cc3c[nH+]cn3C(C)C)C2=O)ccc1Br ZINC000424179073 566518371 /nfs/dbraw/zinc/51/83/71/566518371.db2.gz SHDXCZWUHXSBNP-KRWDZBQOSA-N 2 2 391.313 3.430 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801731 566527303 /nfs/dbraw/zinc/52/73/03/566527303.db2.gz YMABDFLDJHYKBF-CZUORRHYSA-N 2 2 379.346 3.498 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801731 566527310 /nfs/dbraw/zinc/52/73/10/566527310.db2.gz YMABDFLDJHYKBF-CZUORRHYSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801731 566527315 /nfs/dbraw/zinc/52/73/15/566527315.db2.gz YMABDFLDJHYKBF-CZUORRHYSA-N 2 2 379.346 3.498 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nc3ccc(Br)cc3n2C)[C@H](C)C1 ZINC000485801731 566527323 /nfs/dbraw/zinc/52/73/23/566527323.db2.gz YMABDFLDJHYKBF-CZUORRHYSA-N 2 2 379.346 3.498 10 0 GGAELP Cc1oc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000424699846 566560125 /nfs/dbraw/zinc/56/01/25/566560125.db2.gz WFDZLGAIOURSTP-UHFFFAOYSA-N 2 2 398.345 3.031 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1Br ZINC000651857763 566568784 /nfs/dbraw/zinc/56/87/84/566568784.db2.gz OMXIEYYCZDOCOU-UHFFFAOYSA-N 2 2 391.313 3.225 10 0 GGAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(Br)c1 ZINC000579163391 566584810 /nfs/dbraw/zinc/58/48/10/566584810.db2.gz JJDGCTJZNYJVCU-UHFFFAOYSA-N 2 2 392.297 3.184 10 0 GGAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCc1cccc(Cl)c1Cl ZINC000467129958 566628615 /nfs/dbraw/zinc/62/86/15/566628615.db2.gz QIJLNMVHEGRQMW-UHFFFAOYSA-N 2 2 381.307 3.255 10 0 GGAELP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450359113 566661464 /nfs/dbraw/zinc/66/14/64/566661464.db2.gz DYYOWKSFPAQXMN-GFCCVEGCSA-N 2 2 382.277 3.029 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000629516852 566662996 /nfs/dbraw/zinc/66/29/96/566662996.db2.gz SMWZVMYLGYDYCL-ZVZYQTTQSA-N 2 2 392.341 3.166 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000629516852 566663003 /nfs/dbraw/zinc/66/30/03/566663003.db2.gz SMWZVMYLGYDYCL-ZVZYQTTQSA-N 2 2 392.341 3.166 10 0 GGAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584837 566667435 /nfs/dbraw/zinc/66/74/35/566667435.db2.gz VHPYNZINRKCAMH-SPWGLZBTSA-N 2 2 384.351 3.491 10 0 GGAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584837 566667443 /nfs/dbraw/zinc/66/74/43/566667443.db2.gz VHPYNZINRKCAMH-SPWGLZBTSA-N 2 2 384.351 3.491 10 0 GGAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000629570746 566667471 /nfs/dbraw/zinc/66/74/71/566667471.db2.gz MENOIHLLNQTXPA-UHFFFAOYSA-N 2 2 384.343 3.240 10 0 GGAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccc(Br)cc2)n1 ZINC000629570746 566667480 /nfs/dbraw/zinc/66/74/80/566667480.db2.gz MENOIHLLNQTXPA-UHFFFAOYSA-N 2 2 384.343 3.240 10 0 GGAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584836 566667632 /nfs/dbraw/zinc/66/76/32/566667632.db2.gz VHPYNZINRKCAMH-BIPCEHGGSA-N 2 2 384.351 3.491 10 0 GGAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584836 566667636 /nfs/dbraw/zinc/66/76/36/566667636.db2.gz VHPYNZINRKCAMH-BIPCEHGGSA-N 2 2 384.351 3.491 10 0 GGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584839 566667846 /nfs/dbraw/zinc/66/78/46/566667846.db2.gz VHPYNZINRKCAMH-YRQNITAISA-N 2 2 384.351 3.491 10 0 GGAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584839 566667850 /nfs/dbraw/zinc/66/78/50/566667850.db2.gz VHPYNZINRKCAMH-YRQNITAISA-N 2 2 384.351 3.491 10 0 GGAELP Clc1cc(Br)cnc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591989 566669617 /nfs/dbraw/zinc/66/96/17/566669617.db2.gz XXSVGWROGIZSLR-AWEZNQCLSA-N 2 2 388.737 3.088 10 0 GGAELP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594085 566670609 /nfs/dbraw/zinc/67/06/09/566670609.db2.gz JQWHWCNYIDMPRQ-GOEBONIOSA-N 2 2 385.371 3.421 10 0 GGAELP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594085 566670616 /nfs/dbraw/zinc/67/06/16/566670616.db2.gz JQWHWCNYIDMPRQ-GOEBONIOSA-N 2 2 385.371 3.421 10 0 GGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000629595174 566671083 /nfs/dbraw/zinc/67/10/83/566671083.db2.gz NFYUMBPKZLOVKS-KDURUIRLSA-N 2 2 387.325 3.338 10 0 GGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000629595174 566671087 /nfs/dbraw/zinc/67/10/87/566671087.db2.gz NFYUMBPKZLOVKS-KDURUIRLSA-N 2 2 387.325 3.338 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629659595 566676575 /nfs/dbraw/zinc/67/65/75/566676575.db2.gz CUHDZZMOEPQHSZ-BLLLJJGKSA-N 2 2 377.330 3.482 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659597 566677094 /nfs/dbraw/zinc/67/70/94/566677094.db2.gz CUHDZZMOEPQHSZ-MLGOLLRUSA-N 2 2 377.330 3.482 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1Br ZINC000580329738 566684594 /nfs/dbraw/zinc/68/45/94/566684594.db2.gz LECHJDHVRLZHBN-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000487946218 566698370 /nfs/dbraw/zinc/69/83/70/566698370.db2.gz JXTVVRYWMMGZKO-OAHLLOKOSA-N 2 2 377.941 3.397 10 0 GGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000426298481 566703688 /nfs/dbraw/zinc/70/36/88/566703688.db2.gz MEBGDTQFZQMHEW-KRWDZBQOSA-N 2 2 383.989 3.165 10 0 GGAELP Clc1cc2c(s1)CCC[C@@H]2[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000426298481 566703690 /nfs/dbraw/zinc/70/36/90/566703690.db2.gz MEBGDTQFZQMHEW-KRWDZBQOSA-N 2 2 383.989 3.165 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230527 566705724 /nfs/dbraw/zinc/70/57/24/566705724.db2.gz XBJYZRYSBYADAG-XJKSGUPXSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)cc1 ZINC000541230524 566706721 /nfs/dbraw/zinc/70/67/21/566706721.db2.gz XBJYZRYSBYADAG-BBRMVZONSA-N 2 2 391.313 3.024 10 0 GGAELP Ic1cccc(C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451193113 566775291 /nfs/dbraw/zinc/77/52/91/566775291.db2.gz PQCRULQTAYVUAP-HNNXBMFYSA-N 2 2 381.261 3.052 10 0 GGAELP Ic1cccc(C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)c1 ZINC000451193113 566775295 /nfs/dbraw/zinc/77/52/95/566775295.db2.gz PQCRULQTAYVUAP-HNNXBMFYSA-N 2 2 381.261 3.052 10 0 GGAELP C[C@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c2ccsc2S1 ZINC000542156986 566778491 /nfs/dbraw/zinc/77/84/91/566778491.db2.gz IZPADBVYRHOWPW-QEJZJMRPSA-N 2 2 376.551 3.188 10 0 GGAELP C[NH+](C)CCOc1cc(C[NH2+]Cc2ncc(Br)cc2Cl)ccn1 ZINC000631102352 566779928 /nfs/dbraw/zinc/77/99/28/566779928.db2.gz RKBAPCINYIQBDX-UHFFFAOYSA-N 2 2 399.720 3.123 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000678234277 566788890 /nfs/dbraw/zinc/78/88/90/566788890.db2.gz CNDCFNKHFSVLHY-ZDUSSCGKSA-N 2 2 380.286 3.500 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000678234277 566788896 /nfs/dbraw/zinc/78/88/96/566788896.db2.gz CNDCFNKHFSVLHY-ZDUSSCGKSA-N 2 2 380.286 3.500 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000678234276 566789989 /nfs/dbraw/zinc/78/99/89/566789989.db2.gz CNDCFNKHFSVLHY-CYBMUJFWSA-N 2 2 380.286 3.500 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(OC)c1 ZINC000678234276 566790000 /nfs/dbraw/zinc/79/00/00/566790000.db2.gz CNDCFNKHFSVLHY-CYBMUJFWSA-N 2 2 380.286 3.500 10 0 GGAELP C[NH+]1CCC(n2cc(NCc3c[nH+]c4ccc(Br)cn34)cn2)CC1 ZINC000631224944 566793736 /nfs/dbraw/zinc/79/37/36/566793736.db2.gz DBRRFUZVPXDXKB-UHFFFAOYSA-N 2 2 389.301 3.172 10 0 GGAELP CC(C)[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517037870 566802809 /nfs/dbraw/zinc/80/28/09/566802809.db2.gz VCFYVRITVQZRCW-HOCLYGCPSA-N 2 2 377.838 3.103 10 0 GGAELP CC(C)[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517037870 566802812 /nfs/dbraw/zinc/80/28/12/566802812.db2.gz VCFYVRITVQZRCW-HOCLYGCPSA-N 2 2 377.838 3.103 10 0 GGAELP CC(C)[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000517037869 566803031 /nfs/dbraw/zinc/80/30/31/566803031.db2.gz VCFYVRITVQZRCW-GOEBONIOSA-N 2 2 377.838 3.103 10 0 GGAELP CC(C)[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000517037869 566803033 /nfs/dbraw/zinc/80/30/33/566803033.db2.gz VCFYVRITVQZRCW-GOEBONIOSA-N 2 2 377.838 3.103 10 0 GGAELP COC(=O)C(C)(C)[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000489893177 566815868 /nfs/dbraw/zinc/81/58/68/566815868.db2.gz BIJNCYZOUXOYIU-UHFFFAOYSA-N 2 2 392.297 3.071 10 0 GGAELP Brc1ccn2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc2c1 ZINC000582031994 566824453 /nfs/dbraw/zinc/82/44/53/566824453.db2.gz MACYOZVSZNETJC-UHFFFAOYSA-N 2 2 386.297 3.250 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887760 566831995 /nfs/dbraw/zinc/83/19/95/566831995.db2.gz UIIZHJPGDNSGPS-DZGCQCFKSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887760 566832004 /nfs/dbraw/zinc/83/20/04/566832004.db2.gz UIIZHJPGDNSGPS-DZGCQCFKSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCO2 ZINC000655701370 566835773 /nfs/dbraw/zinc/83/57/73/566835773.db2.gz TVUAKVLIXLNQMX-DOTOQJQBSA-N 2 2 381.314 3.116 10 0 GGAELP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCO2 ZINC000655701573 566836331 /nfs/dbraw/zinc/83/63/31/566836331.db2.gz TVUAKVLIXLNQMX-WBVHZDCISA-N 2 2 381.314 3.116 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)s1 ZINC000543085531 566850580 /nfs/dbraw/zinc/85/05/80/566850580.db2.gz QUNYBWMZNDRZQV-VXGBXAGGSA-N 2 2 397.342 3.086 10 0 GGAELP Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136148 566858748 /nfs/dbraw/zinc/85/87/48/566858748.db2.gz AUTQGRUDJVSYPP-GOSISDBHSA-N 2 2 375.314 3.415 10 0 GGAELP Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136148 566858752 /nfs/dbraw/zinc/85/87/52/566858752.db2.gz AUTQGRUDJVSYPP-GOSISDBHSA-N 2 2 375.314 3.415 10 0 GGAELP C[N@H+](Cc1cc2c(cc1Br)OCCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152536 566860686 /nfs/dbraw/zinc/86/06/86/566860686.db2.gz NFRVIUFPSUHZBD-YIONKMFJSA-N 2 2 381.314 3.325 10 0 GGAELP C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000563152536 566860689 /nfs/dbraw/zinc/86/06/89/566860689.db2.gz NFRVIUFPSUHZBD-YIONKMFJSA-N 2 2 381.314 3.325 10 0 GGAELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481832 566866828 /nfs/dbraw/zinc/86/68/28/566866828.db2.gz JCKVFXMKDLHZGX-CYBMUJFWSA-N 2 2 381.236 3.013 10 0 GGAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481832 566866835 /nfs/dbraw/zinc/86/68/35/566866835.db2.gz JCKVFXMKDLHZGX-CYBMUJFWSA-N 2 2 381.236 3.013 10 0 GGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000518279315 566873387 /nfs/dbraw/zinc/87/33/87/566873387.db2.gz NPESXUZUCDQJAI-QGZVFWFLSA-N 2 2 385.346 3.438 10 0 GGAELP CCCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000518279315 566873414 /nfs/dbraw/zinc/87/34/14/566873414.db2.gz NPESXUZUCDQJAI-QGZVFWFLSA-N 2 2 385.346 3.438 10 0 GGAELP Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ncn1 ZINC000428946902 566891187 /nfs/dbraw/zinc/89/11/87/566891187.db2.gz MCEUIEXBRHGTIK-UHFFFAOYSA-N 2 2 376.258 3.039 10 0 GGAELP Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ncn1 ZINC000428946902 566891195 /nfs/dbraw/zinc/89/11/95/566891195.db2.gz MCEUIEXBRHGTIK-UHFFFAOYSA-N 2 2 376.258 3.039 10 0 GGAELP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041397 566904550 /nfs/dbraw/zinc/90/45/50/566904550.db2.gz OZFDBHDJOLVJFR-LJQANCHMSA-N 2 2 387.325 3.434 10 0 GGAELP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041397 566904553 /nfs/dbraw/zinc/90/45/53/566904553.db2.gz OZFDBHDJOLVJFR-LJQANCHMSA-N 2 2 387.325 3.434 10 0 GGAELP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041397 566904557 /nfs/dbraw/zinc/90/45/57/566904557.db2.gz OZFDBHDJOLVJFR-LJQANCHMSA-N 2 2 387.325 3.434 10 0 GGAELP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccnc(-c4ccc(Br)cc4)n3)C2)C1 ZINC000429041397 566904559 /nfs/dbraw/zinc/90/45/59/566904559.db2.gz OZFDBHDJOLVJFR-LJQANCHMSA-N 2 2 387.325 3.434 10 0 GGAELP Brc1ccc2[nH+]cc(CNc3ccc([C@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656792028 566950635 /nfs/dbraw/zinc/95/06/35/566950635.db2.gz IHLAEOGHRUGIHV-QGZVFWFLSA-N 2 2 387.281 3.370 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnn4ccccc34)[nH+]c12 ZINC000544706300 566983689 /nfs/dbraw/zinc/98/36/89/566983689.db2.gz PTZFSZTUPLEORZ-UHFFFAOYSA-N 2 2 384.281 3.385 10 0 GGAELP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962081 566999892 /nfs/dbraw/zinc/99/98/92/566999892.db2.gz CWNSIQQPYKJOEX-SUMWQHHRSA-N 2 2 380.323 3.490 10 0 GGAELP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962081 566999898 /nfs/dbraw/zinc/99/98/98/566999898.db2.gz CWNSIQQPYKJOEX-SUMWQHHRSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962081 566999905 /nfs/dbraw/zinc/99/99/05/566999905.db2.gz CWNSIQQPYKJOEX-SUMWQHHRSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962081 566999910 /nfs/dbraw/zinc/99/99/10/566999910.db2.gz CWNSIQQPYKJOEX-SUMWQHHRSA-N 2 2 380.323 3.490 10 0 GGAELP Cc1c(Br)cncc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000657293297 567045042 /nfs/dbraw/zinc/04/50/42/567045042.db2.gz LHUGBTSVUXTHQO-UHFFFAOYSA-N 2 2 390.325 3.275 10 0 GGAELP Brc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)cc1 ZINC000657377111 567051761 /nfs/dbraw/zinc/05/17/61/567051761.db2.gz YMJPHGGZXWWIEH-UHFFFAOYSA-N 2 2 376.298 3.387 10 0 GGAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248059 567066502 /nfs/dbraw/zinc/06/65/02/567066502.db2.gz ISDJSWCRGPRECL-ONGXEEELSA-N 2 2 385.224 3.362 10 0 GGAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453248059 567066505 /nfs/dbraw/zinc/06/65/05/567066505.db2.gz ISDJSWCRGPRECL-ONGXEEELSA-N 2 2 385.224 3.362 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255286 567068539 /nfs/dbraw/zinc/06/85/39/567068539.db2.gz FKFKNHGAFYJRJT-PBHICJAKSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453255286 567068548 /nfs/dbraw/zinc/06/85/48/567068548.db2.gz FKFKNHGAFYJRJT-PBHICJAKSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270779 567071227 /nfs/dbraw/zinc/07/12/27/567071227.db2.gz SPEVSIAIPCVHHM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000453270779 567071232 /nfs/dbraw/zinc/07/12/32/567071232.db2.gz SPEVSIAIPCVHHM-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270776 567071265 /nfs/dbraw/zinc/07/12/65/567071265.db2.gz SPEVSIAIPCVHHM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270776 567071269 /nfs/dbraw/zinc/07/12/69/567071269.db2.gz SPEVSIAIPCVHHM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136795 567124251 /nfs/dbraw/zinc/12/42/51/567124251.db2.gz IIUNHDLYOPEBOF-WFASDCNBSA-N 2 2 396.354 3.323 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136795 567124258 /nfs/dbraw/zinc/12/42/58/567124258.db2.gz IIUNHDLYOPEBOF-WFASDCNBSA-N 2 2 396.354 3.323 10 0 GGAELP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432244041 567141462 /nfs/dbraw/zinc/14/14/62/567141462.db2.gz BKFWHQUFXDEZHA-UHFFFAOYSA-N 2 2 376.303 3.165 10 0 GGAELP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000566250534 567142018 /nfs/dbraw/zinc/14/20/18/567142018.db2.gz BCCOOPBTBHFOIE-KRWDZBQOSA-N 2 2 376.298 3.458 10 0 GGAELP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637166777 567183682 /nfs/dbraw/zinc/18/36/82/567183682.db2.gz IWKQHDAYMWVSNI-CQSZACIVSA-N 2 2 380.945 3.123 10 0 GGAELP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637166777 567183689 /nfs/dbraw/zinc/18/36/89/567183689.db2.gz IWKQHDAYMWVSNI-CQSZACIVSA-N 2 2 380.945 3.123 10 0 GGAELP CN(C)c1nc(NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc[nH+]1 ZINC000525356452 567243252 /nfs/dbraw/zinc/24/32/52/567243252.db2.gz CCGMAORZUPUVAE-UHFFFAOYSA-N 2 2 380.323 3.348 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588592 567260088 /nfs/dbraw/zinc/26/00/88/567260088.db2.gz AXVVKHGGJDDIMR-SFHVURJKSA-N 2 2 381.314 3.186 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588592 567260091 /nfs/dbraw/zinc/26/00/91/567260091.db2.gz AXVVKHGGJDDIMR-SFHVURJKSA-N 2 2 381.314 3.186 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1OC ZINC000591081903 567262110 /nfs/dbraw/zinc/26/21/10/567262110.db2.gz BIMWPPLRUFFMHO-AWEZNQCLSA-N 2 2 380.286 3.500 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1OC ZINC000591081903 567262114 /nfs/dbraw/zinc/26/21/14/567262114.db2.gz BIMWPPLRUFFMHO-AWEZNQCLSA-N 2 2 380.286 3.500 10 0 GGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000475621740 567262623 /nfs/dbraw/zinc/26/26/23/567262623.db2.gz HHRGAMWGSZYBRX-UHFFFAOYSA-N 2 2 380.261 3.314 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c1 ZINC000639256006 567298868 /nfs/dbraw/zinc/29/88/68/567298868.db2.gz ROWIJGYCGHOJJM-AEFFLSMTSA-N 2 2 377.330 3.150 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000617763092 567332960 /nfs/dbraw/zinc/33/29/60/567332960.db2.gz DYSPVNLEPKDUCD-UHFFFAOYSA-N 2 2 380.945 3.077 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2cccc(Cl)c2)s1 ZINC000617763092 567332964 /nfs/dbraw/zinc/33/29/64/567332964.db2.gz DYSPVNLEPKDUCD-UHFFFAOYSA-N 2 2 380.945 3.077 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000617767069 567333659 /nfs/dbraw/zinc/33/36/59/567333659.db2.gz GDXPQNKYYWAWOO-UHFFFAOYSA-N 2 2 380.945 3.077 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000617767069 567333666 /nfs/dbraw/zinc/33/36/66/567333666.db2.gz GDXPQNKYYWAWOO-UHFFFAOYSA-N 2 2 380.945 3.077 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000592894172 567372682 /nfs/dbraw/zinc/37/26/82/567372682.db2.gz MTMQHVJGZGDZBM-FQEVSTJZSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000592894172 567372689 /nfs/dbraw/zinc/37/26/89/567372689.db2.gz MTMQHVJGZGDZBM-FQEVSTJZSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](CCc1ccc(Br)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000592894172 567372694 /nfs/dbraw/zinc/37/26/94/567372694.db2.gz MTMQHVJGZGDZBM-FQEVSTJZSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](CCc1ccc(Br)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000592894172 567372700 /nfs/dbraw/zinc/37/27/00/567372700.db2.gz MTMQHVJGZGDZBM-FQEVSTJZSA-N 2 2 391.353 3.416 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3c4ccccc4C(=O)N3C)c[nH+]c12 ZINC000527805455 567374780 /nfs/dbraw/zinc/37/47/80/567374780.db2.gz IXGIONFNOYONIH-QGZVFWFLSA-N 2 2 399.292 3.322 10 0 GGAELP COC(=O)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(Br)c1 ZINC000569145056 567382065 /nfs/dbraw/zinc/38/20/65/567382065.db2.gz JLQJZCQOYZWIKN-UHFFFAOYSA-N 2 2 381.314 3.342 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000569511066 567409284 /nfs/dbraw/zinc/40/92/84/567409284.db2.gz CCCINJKHNOTUMA-CVEARBPZSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000569511066 567409290 /nfs/dbraw/zinc/40/92/90/567409290.db2.gz CCCINJKHNOTUMA-CVEARBPZSA-N 2 2 392.341 3.109 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccsc3C(F)(F)F)CC2)CC1 ZINC000528313795 567409942 /nfs/dbraw/zinc/40/99/42/567409942.db2.gz DRAIMBGYMWQCJI-UHFFFAOYSA-N 2 2 375.460 3.055 10 0 GGAELP Fc1c(Br)ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000528353094 567414958 /nfs/dbraw/zinc/41/49/58/567414958.db2.gz GUFHVQVUBDOOAR-UHFFFAOYSA-N 2 2 389.284 3.272 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285438 567423652 /nfs/dbraw/zinc/42/36/52/567423652.db2.gz JUCZOFWOBXUJRG-AXAPSJFSSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285438 567423661 /nfs/dbraw/zinc/42/36/61/567423661.db2.gz JUCZOFWOBXUJRG-AXAPSJFSSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281236 567423812 /nfs/dbraw/zinc/42/38/12/567423812.db2.gz KPZGJDCPJHMQCH-XJKSGUPXSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281234 567424058 /nfs/dbraw/zinc/42/40/58/567424058.db2.gz KPZGJDCPJHMQCH-CJNGLKHVSA-N 2 2 388.737 3.216 10 0 GGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280154 567424267 /nfs/dbraw/zinc/42/42/67/567424267.db2.gz CXUATVOHQGVONH-FZMZJTMJSA-N 2 2 382.327 3.212 10 0 GGAELP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000569746749 567427966 /nfs/dbraw/zinc/42/79/66/567427966.db2.gz DKDBHKVSVHGSFN-DOMZBBRYSA-N 2 2 395.288 3.483 10 0 GGAELP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000569746749 567427973 /nfs/dbraw/zinc/42/79/73/567427973.db2.gz DKDBHKVSVHGSFN-DOMZBBRYSA-N 2 2 395.288 3.483 10 0 GGAELP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000569746751 567428797 /nfs/dbraw/zinc/42/87/97/567428797.db2.gz DKDBHKVSVHGSFN-SWLSCSKDSA-N 2 2 395.288 3.483 10 0 GGAELP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000569746751 567428801 /nfs/dbraw/zinc/42/88/01/567428801.db2.gz DKDBHKVSVHGSFN-SWLSCSKDSA-N 2 2 395.288 3.483 10 0 GGAELP C[NH2+][C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000662443080 567436415 /nfs/dbraw/zinc/43/64/15/567436415.db2.gz ZLTQJPNWIWQPOY-CYBMUJFWSA-N 2 2 395.212 3.329 10 0 GGAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569843015 567436589 /nfs/dbraw/zinc/43/65/89/567436589.db2.gz HKTVJPVOBLDVIP-QILLFSRXSA-N 2 2 394.357 3.172 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000569939016 567445210 /nfs/dbraw/zinc/44/52/10/567445210.db2.gz GZRXVULWXIOPNG-CQSZACIVSA-N 2 2 384.351 3.416 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000569939016 567445215 /nfs/dbraw/zinc/44/52/15/567445215.db2.gz GZRXVULWXIOPNG-CQSZACIVSA-N 2 2 384.351 3.416 10 0 GGAELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000528729696 567451532 /nfs/dbraw/zinc/45/15/32/567451532.db2.gz ISGKOPFUQSZQTN-UHFFFAOYSA-N 2 2 383.330 3.015 10 0 GGAELP Cn1cc[nH+]c1[C@H]1N(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1(C)C ZINC000662756211 567461325 /nfs/dbraw/zinc/46/13/25/567461325.db2.gz IFTULNSGSHSDBB-CYBMUJFWSA-N 2 2 395.326 3.071 10 0 GGAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000551271376 567493630 /nfs/dbraw/zinc/49/36/30/567493630.db2.gz XCDUKKAJTKOBKD-WMLDXEAASA-N 2 2 384.362 3.099 10 0 GGAELP CCCOc1c(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000663502563 567511961 /nfs/dbraw/zinc/51/19/61/567511961.db2.gz VGGBZLNCVHPWPG-UHFFFAOYSA-N 2 2 383.330 3.478 10 0 GGAELP Clc1cnc(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c(Cl)c1 ZINC000570974357 567526698 /nfs/dbraw/zinc/52/66/98/567526698.db2.gz RNZOWBPZLCQMQQ-UHFFFAOYSA-N 2 2 377.319 3.356 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000595052780 567539097 /nfs/dbraw/zinc/53/90/97/567539097.db2.gz VVMQATMCPMOIEO-TZMCWYRMSA-N 2 2 379.245 3.149 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000595052780 567539099 /nfs/dbraw/zinc/53/90/99/567539099.db2.gz VVMQATMCPMOIEO-TZMCWYRMSA-N 2 2 379.245 3.149 10 0 GGAELP Cc1cc(Br)cn2cc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)[nH+]c12 ZINC000504941803 567553447 /nfs/dbraw/zinc/55/34/47/567553447.db2.gz GMZSRCCUQJJJBP-MRXNPFEDSA-N 2 2 393.329 3.286 10 0 GGAELP Cc1cc(Br)cn2cc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)[nH+]c12 ZINC000504941803 567553453 /nfs/dbraw/zinc/55/34/53/567553453.db2.gz GMZSRCCUQJJJBP-MRXNPFEDSA-N 2 2 393.329 3.286 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031264 567562099 /nfs/dbraw/zinc/56/20/99/567562099.db2.gz DMKMRTNRUNKZPA-GUYCJALGSA-N 2 2 381.307 3.171 10 0 GGAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000530034769 567563981 /nfs/dbraw/zinc/56/39/81/567563981.db2.gz XRZFSFHSRBYOCW-IOASZLSFSA-N 2 2 381.307 3.250 10 0 GGAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987614 567572701 /nfs/dbraw/zinc/57/27/01/567572701.db2.gz VWTOCQUQGCBZDY-MFKMUULPSA-N 2 2 381.236 3.386 10 0 GGAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987614 567572707 /nfs/dbraw/zinc/57/27/07/567572707.db2.gz VWTOCQUQGCBZDY-MFKMUULPSA-N 2 2 381.236 3.386 10 0 GGAELP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223028 567584248 /nfs/dbraw/zinc/58/42/48/567584248.db2.gz JBZNDMAQFLFUFW-ZFWWWQNUSA-N 2 2 389.284 3.446 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223671 567584578 /nfs/dbraw/zinc/58/45/78/567584578.db2.gz UFWVNDLEGMLYKS-GDBMZVCRSA-N 2 2 398.288 3.379 10 0 GGAELP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226945 567586187 /nfs/dbraw/zinc/58/61/87/567586187.db2.gz VCOQPMRDLYVRBI-YOEHRIQHSA-N 2 2 389.284 3.446 10 0 GGAELP Fc1ccc(Br)c(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242176 567586520 /nfs/dbraw/zinc/58/65/20/567586520.db2.gz NQHAMLIJUQRIBB-CYBMUJFWSA-N 2 2 389.284 3.318 10 0 GGAELP Brc1ccc(CC2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000665264813 567615412 /nfs/dbraw/zinc/61/54/12/567615412.db2.gz IMBBXIAUKDZMCH-QZTJIDSGSA-N 2 2 379.342 3.128 10 0 GGAELP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3c(Br)cccc13)CCO2 ZINC000645384857 567620600 /nfs/dbraw/zinc/62/06/00/567620600.db2.gz KOSKXANZQNYWGK-UHFFFAOYSA-N 2 2 376.298 3.298 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000459521071 567632271 /nfs/dbraw/zinc/63/22/71/567632271.db2.gz HCRGRSWBBMBJLO-INIZCTEOSA-N 2 2 375.822 3.084 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000459521071 567632273 /nfs/dbraw/zinc/63/22/73/567632273.db2.gz HCRGRSWBBMBJLO-INIZCTEOSA-N 2 2 375.822 3.084 10 0 GGAELP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)cc(Br)c1OC(F)F ZINC000459653851 567645843 /nfs/dbraw/zinc/64/58/43/567645843.db2.gz DOGWVESYIFMSCA-UHFFFAOYSA-N 2 2 390.228 3.125 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705950 567674559 /nfs/dbraw/zinc/67/45/59/567674559.db2.gz DZBFKBPPKHUTOO-OCCSQVGLSA-N 2 2 388.375 3.104 10 0 GGAELP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493604 567715926 /nfs/dbraw/zinc/71/59/26/567715926.db2.gz LJRLKFXCLCYXAU-YOEHRIQHSA-N 2 2 394.357 3.325 10 0 GGAELP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493604 567715931 /nfs/dbraw/zinc/71/59/31/567715931.db2.gz LJRLKFXCLCYXAU-YOEHRIQHSA-N 2 2 394.357 3.325 10 0 GGAELP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493601 567716509 /nfs/dbraw/zinc/71/65/09/567716509.db2.gz LJRLKFXCLCYXAU-PBHICJAKSA-N 2 2 394.357 3.325 10 0 GGAELP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493601 567716513 /nfs/dbraw/zinc/71/65/13/567716513.db2.gz LJRLKFXCLCYXAU-PBHICJAKSA-N 2 2 394.357 3.325 10 0 GGAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508954 567716952 /nfs/dbraw/zinc/71/69/52/567716952.db2.gz NMVYLHJCQYTWIP-CYBMUJFWSA-N 2 2 378.460 3.071 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508954 567716955 /nfs/dbraw/zinc/71/69/55/567716955.db2.gz NMVYLHJCQYTWIP-CYBMUJFWSA-N 2 2 378.460 3.071 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508806 567717058 /nfs/dbraw/zinc/71/70/58/567717058.db2.gz JGULOSDAGMRZDS-HOCLYGCPSA-N 2 2 380.330 3.017 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508806 567717063 /nfs/dbraw/zinc/71/70/63/567717063.db2.gz JGULOSDAGMRZDS-HOCLYGCPSA-N 2 2 380.330 3.017 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1(C)C ZINC000623516722 567717798 /nfs/dbraw/zinc/71/77/98/567717798.db2.gz BYSOKXXUZHXMHS-CQSZACIVSA-N 2 2 378.460 3.071 10 0 GGAELP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000623664771 567729039 /nfs/dbraw/zinc/72/90/39/567729039.db2.gz NOZPQDLCWWTCNY-UHFFFAOYSA-N 2 2 396.251 3.359 10 0 GGAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000623883799 567743563 /nfs/dbraw/zinc/74/35/63/567743563.db2.gz MEDOSGHJHANJMD-QAPCUYQASA-N 2 2 396.373 3.351 10 0 GGAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000623883799 567743566 /nfs/dbraw/zinc/74/35/66/567743566.db2.gz MEDOSGHJHANJMD-QAPCUYQASA-N 2 2 396.373 3.351 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885850 567743824 /nfs/dbraw/zinc/74/38/24/567743824.db2.gz KIDYDXCATKTOMZ-TZMCWYRMSA-N 2 2 379.854 3.385 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885850 567743830 /nfs/dbraw/zinc/74/38/30/567743830.db2.gz KIDYDXCATKTOMZ-TZMCWYRMSA-N 2 2 379.854 3.385 10 0 GGAELP Brc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553931 567791104 /nfs/dbraw/zinc/79/11/04/567791104.db2.gz NJNNQQRJXQWUCD-KRWDZBQOSA-N 2 2 375.314 3.399 10 0 GGAELP OCC[N@H+](Cc1ccc(Br)s1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668056430 567794542 /nfs/dbraw/zinc/79/45/42/567794542.db2.gz BUJFYHJAPFIGPI-UHFFFAOYSA-N 2 2 393.310 3.086 10 0 GGAELP OCC[N@@H+](Cc1ccc(Br)s1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668056430 567794544 /nfs/dbraw/zinc/79/45/44/567794544.db2.gz BUJFYHJAPFIGPI-UHFFFAOYSA-N 2 2 393.310 3.086 10 0 GGAELP Brc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2cnn3c2CCC3)o1 ZINC000668166677 567798861 /nfs/dbraw/zinc/79/88/61/567798861.db2.gz DOIDGYMOCRQNEW-UHFFFAOYSA-N 2 2 390.285 3.084 10 0 GGAELP Brc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2cnn3c2CCC3)o1 ZINC000668166677 567798864 /nfs/dbraw/zinc/79/88/64/567798864.db2.gz DOIDGYMOCRQNEW-UHFFFAOYSA-N 2 2 390.285 3.084 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900533 567805808 /nfs/dbraw/zinc/80/58/08/567805808.db2.gz CSKRLPGKAMNGGY-YJBOKZPZSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900533 567805811 /nfs/dbraw/zinc/80/58/11/567805811.db2.gz CSKRLPGKAMNGGY-YJBOKZPZSA-N 2 2 384.351 3.416 10 0 GGAELP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902923 567806043 /nfs/dbraw/zinc/80/60/43/567806043.db2.gz DLUPYOOPMLTWDH-ZTFGCOKTSA-N 2 2 392.341 3.018 10 0 GGAELP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902923 567806046 /nfs/dbraw/zinc/80/60/46/567806046.db2.gz DLUPYOOPMLTWDH-ZTFGCOKTSA-N 2 2 392.341 3.018 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902694 567806092 /nfs/dbraw/zinc/80/60/92/567806092.db2.gz BIPJQIYQXBGZBP-CRAIPNDOSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902694 567806096 /nfs/dbraw/zinc/80/60/96/567806096.db2.gz BIPJQIYQXBGZBP-CRAIPNDOSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900528 567806163 /nfs/dbraw/zinc/80/61/63/567806163.db2.gz CSKRLPGKAMNGGY-CRAIPNDOSA-N 2 2 384.351 3.416 10 0 GGAELP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900528 567806164 /nfs/dbraw/zinc/80/61/64/567806164.db2.gz CSKRLPGKAMNGGY-CRAIPNDOSA-N 2 2 384.351 3.416 10 0 GGAELP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902920 567806172 /nfs/dbraw/zinc/80/61/72/567806172.db2.gz DLUPYOOPMLTWDH-FHLIZLRMSA-N 2 2 392.341 3.018 10 0 GGAELP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902920 567806173 /nfs/dbraw/zinc/80/61/73/567806173.db2.gz DLUPYOOPMLTWDH-FHLIZLRMSA-N 2 2 392.341 3.018 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899589 567806181 /nfs/dbraw/zinc/80/61/81/567806181.db2.gz PWZDEMOWVGFWME-CPUCHLNUSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899589 567806182 /nfs/dbraw/zinc/80/61/82/567806182.db2.gz PWZDEMOWVGFWME-CPUCHLNUSA-N 2 2 380.330 3.240 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901563 567806273 /nfs/dbraw/zinc/80/62/73/567806273.db2.gz QMRRCTUNPYPYAC-DZGCQCFKSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901563 567806274 /nfs/dbraw/zinc/80/62/74/567806274.db2.gz QMRRCTUNPYPYAC-DZGCQCFKSA-N 2 2 383.330 3.430 10 0 GGAELP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+]1CCC1 ZINC000534311364 567807363 /nfs/dbraw/zinc/80/73/63/567807363.db2.gz PWBUPLYATXCJHL-UHFFFAOYSA-N 2 2 392.135 3.406 10 0 GGAELP CSc1cc(Br)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071528 567812778 /nfs/dbraw/zinc/81/27/78/567812778.db2.gz GSYJAVFJMGYRKR-UHFFFAOYSA-N 2 2 385.371 3.468 10 0 GGAELP CSc1cc(Br)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071528 567812780 /nfs/dbraw/zinc/81/27/80/567812780.db2.gz GSYJAVFJMGYRKR-UHFFFAOYSA-N 2 2 385.371 3.468 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnc3c(Br)cccc13)CCO2 ZINC000648072154 567812865 /nfs/dbraw/zinc/81/28/65/567812865.db2.gz PAXYJEPBBIHBDD-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnc3c(Br)cccc13)CCO2 ZINC000648072154 567812866 /nfs/dbraw/zinc/81/28/66/567812866.db2.gz PAXYJEPBBIHBDD-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP O=C(CN1CC[NH+](Cc2ccsc2)CC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000022801413 570328813 /nfs/dbraw/zinc/32/88/13/570328813.db2.gz OCCIQARMCKBPHS-UHFFFAOYSA-N 2 2 398.576 3.100 10 0 GGAELP CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+]2CCCC2)CC1 ZINC000034909962 570340387 /nfs/dbraw/zinc/34/03/87/570340387.db2.gz DBKSAHMOWCFBMT-UHFFFAOYSA-N 2 2 397.567 3.265 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccccn3)n2)C1 ZINC000023146036 570346893 /nfs/dbraw/zinc/34/68/93/570346893.db2.gz FBAUGKZIWSZGKP-UHFFFAOYSA-N 2 2 387.447 3.092 10 0 GGAELP Cc1[nH+]c[nH]c1C[N@H+]1CCc2c(cnc(C)c2-c2noc(-c3ccccn3)n2)C1 ZINC000023146036 570346897 /nfs/dbraw/zinc/34/68/97/570346897.db2.gz FBAUGKZIWSZGKP-UHFFFAOYSA-N 2 2 387.447 3.092 10 0 GGAELP O=C(C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000004955357 570381848 /nfs/dbraw/zinc/38/18/48/570381848.db2.gz OLMLNDCVHDQTRP-UHFFFAOYSA-N 2 2 395.551 3.256 10 0 GGAELP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572654 570385997 /nfs/dbraw/zinc/38/59/97/570385997.db2.gz CIQFWEWKLNMOAS-HXUWFJFHSA-N 2 2 399.560 3.034 10 0 GGAELP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572654 570386007 /nfs/dbraw/zinc/38/60/07/570386007.db2.gz CIQFWEWKLNMOAS-HXUWFJFHSA-N 2 2 399.560 3.034 10 0 GGAELP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572658 570386077 /nfs/dbraw/zinc/38/60/77/570386077.db2.gz CIQFWEWKLNMOAS-FQEVSTJZSA-N 2 2 399.560 3.034 10 0 GGAELP O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000024572658 570386080 /nfs/dbraw/zinc/38/60/80/570386080.db2.gz CIQFWEWKLNMOAS-FQEVSTJZSA-N 2 2 399.560 3.034 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000241590531 570687014 /nfs/dbraw/zinc/68/70/14/570687014.db2.gz PFOPCHLPKUBFQB-HOTGVXAUSA-N 2 2 378.517 3.190 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000241590531 570687015 /nfs/dbraw/zinc/68/70/15/570687015.db2.gz PFOPCHLPKUBFQB-HOTGVXAUSA-N 2 2 378.517 3.190 10 0 GGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1C ZINC000241884865 570688078 /nfs/dbraw/zinc/68/80/78/570688078.db2.gz SYKSCKJYZCLZKW-IBGZPJMESA-N 2 2 394.519 3.390 10 0 GGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1C ZINC000241884865 570688081 /nfs/dbraw/zinc/68/80/81/570688081.db2.gz SYKSCKJYZCLZKW-IBGZPJMESA-N 2 2 394.519 3.390 10 0 GGAELP Cc1[nH+]ccn1CC(=O)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C ZINC000065260133 570762178 /nfs/dbraw/zinc/76/21/78/570762178.db2.gz BTBJTWSCJDRXGI-QFIPXVFZSA-N 2 2 394.523 3.097 10 0 GGAELP Cc1[nH+]ccn1CC(=O)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C ZINC000065260132 570762319 /nfs/dbraw/zinc/76/23/19/570762319.db2.gz BTBJTWSCJDRXGI-JOCHJYFZSA-N 2 2 394.523 3.097 10 0 GGAELP Cc1oc2c(c1C(=O)NC1CC[NH+](C)CC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291956 570784390 /nfs/dbraw/zinc/78/43/90/570784390.db2.gz WEUIFJCNSDBWGF-UHFFFAOYSA-N 2 2 385.483 3.109 10 0 GGAELP Cc1oc2c(c1C(=O)NC1CC[NH+](C)CC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291956 570784396 /nfs/dbraw/zinc/78/43/96/570784396.db2.gz WEUIFJCNSDBWGF-UHFFFAOYSA-N 2 2 385.483 3.109 10 0 GGAELP CC[NH+]1CCN(C(=O)Cn2c(Cc3ccccc3)[nH+]c3cc(C)c(C)cc32)CC1 ZINC000037398481 571005672 /nfs/dbraw/zinc/00/56/72/571005672.db2.gz DBECUEMEGOAZJQ-UHFFFAOYSA-N 2 2 390.531 3.408 10 0 GGAELP C[NH+]1CCC(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047885946 1404983568 /nfs/dbraw/zinc/98/35/68/1404983568.db2.gz HSWAIQRZGGVIQQ-QGZVFWFLSA-N 2 2 382.911 3.009 10 0 GGAELP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000048745615 1405279927 /nfs/dbraw/zinc/27/99/27/1405279927.db2.gz BOWWJXOEDGFMQW-UHFFFAOYSA-N 2 2 392.503 3.207 10 0 GGAELP C#CC[NH+]1CCC(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000057170623 1407542700 /nfs/dbraw/zinc/54/27/00/1407542700.db2.gz BSEBCFQSLNVGSD-LJQANCHMSA-N 2 2 391.918 3.077 10 0 GGAELP CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000067668639 1409203145 /nfs/dbraw/zinc/20/31/45/1409203145.db2.gz BRFJJQZPZVSEEI-UHFFFAOYSA-N 2 2 381.520 3.151 10 0 GGAELP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccccc3C(F)(F)F)cc2)CC1 ZINC000067668679 1409203323 /nfs/dbraw/zinc/20/33/23/1409203323.db2.gz ATJYZQDXDIMNQZ-UHFFFAOYSA-N 2 2 391.437 3.383 10 0 GGAELP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1OC(F)F ZINC000069747616 1409690876 /nfs/dbraw/zinc/69/08/76/1409690876.db2.gz DZLLXEPQBYHLOU-UHFFFAOYSA-N 2 2 392.446 3.419 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000073803791 1409866001 /nfs/dbraw/zinc/86/60/01/1409866001.db2.gz DEUDOVRBMIMFRN-GJZGRUSLSA-N 2 2 376.932 3.281 10 0 GGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095446744 1410311051 /nfs/dbraw/zinc/31/10/51/1410311051.db2.gz PQCGSWLXBDABCF-VQTJNVASSA-N 2 2 394.563 3.126 10 0 GGAELP C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000095446744 1410311059 /nfs/dbraw/zinc/31/10/59/1410311059.db2.gz PQCGSWLXBDABCF-VQTJNVASSA-N 2 2 394.563 3.126 10 0 GGAELP O=C(Nc1nccs1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095457023 1410311902 /nfs/dbraw/zinc/31/19/02/1410311902.db2.gz BMHVSVLPWVVMSQ-SFHVURJKSA-N 2 2 384.549 3.458 10 0 GGAELP O=C(Nc1nccs1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095457023 1410311908 /nfs/dbraw/zinc/31/19/08/1410311908.db2.gz BMHVSVLPWVVMSQ-SFHVURJKSA-N 2 2 384.549 3.458 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[N@@H+](C)CC1)C[NH+](Cc1ccc(C)cc1)CC2 ZINC000105111476 1411030519 /nfs/dbraw/zinc/03/05/19/1411030519.db2.gz QTLJCFKXJWQKDP-UHFFFAOYSA-N 2 2 381.520 3.232 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[N@H+](C)CC1)C[NH+](Cc1ccc(C)cc1)CC2 ZINC000105111476 1411030529 /nfs/dbraw/zinc/03/05/29/1411030529.db2.gz QTLJCFKXJWQKDP-UHFFFAOYSA-N 2 2 381.520 3.232 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[NH+](C)CC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000105111476 1411030541 /nfs/dbraw/zinc/03/05/41/1411030541.db2.gz QTLJCFKXJWQKDP-UHFFFAOYSA-N 2 2 381.520 3.232 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[NH+](C)CC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000105111476 1411030549 /nfs/dbraw/zinc/03/05/49/1411030549.db2.gz QTLJCFKXJWQKDP-UHFFFAOYSA-N 2 2 381.520 3.232 10 0 GGAELP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000107371227 1411366343 /nfs/dbraw/zinc/36/63/43/1411366343.db2.gz HGWHMSBXQWYDCN-MAUKXSAKSA-N 2 2 389.931 3.163 10 0 GGAELP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000107371227 1411366348 /nfs/dbraw/zinc/36/63/48/1411366348.db2.gz HGWHMSBXQWYDCN-MAUKXSAKSA-N 2 2 389.931 3.163 10 0 GGAELP c1c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)nnn1-c1ccccc1 ZINC000111398874 1411940254 /nfs/dbraw/zinc/94/02/54/1411940254.db2.gz BYANRYCMSJNIAR-UHFFFAOYSA-N 2 2 377.492 3.032 10 0 GGAELP Cc1[nH+]cc(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037606 1413663256 /nfs/dbraw/zinc/66/32/56/1413663256.db2.gz DMVRWKVDHBQZOH-QFIPXVFZSA-N 2 2 389.503 3.243 10 0 GGAELP Cc1[nH+]cc(CNc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037606 1413663258 /nfs/dbraw/zinc/66/32/58/1413663258.db2.gz DMVRWKVDHBQZOH-QFIPXVFZSA-N 2 2 389.503 3.243 10 0 GGAELP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000120217826 1413735916 /nfs/dbraw/zinc/73/59/16/1413735916.db2.gz GQOOBVDTDLJVMK-DOTOQJQBSA-N 2 2 383.521 3.429 10 0 GGAELP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000120217826 1413735923 /nfs/dbraw/zinc/73/59/23/1413735923.db2.gz GQOOBVDTDLJVMK-DOTOQJQBSA-N 2 2 383.521 3.429 10 0 GGAELP NC(=O)C1CC[NH+](Cc2cccc(NCc3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC000122696470 1414541119 /nfs/dbraw/zinc/54/11/19/1414541119.db2.gz FSFXTRXLPKXUML-UHFFFAOYSA-N 2 2 389.503 3.182 10 0 GGAELP O=C(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128757208 1416060327 /nfs/dbraw/zinc/06/03/27/1416060327.db2.gz AMRBPNWBXVEDQR-FGZHOGPDSA-N 2 2 392.547 3.121 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000129387328 1416201052 /nfs/dbraw/zinc/20/10/52/1416201052.db2.gz CIMFADQUIBKWON-QGCDCVKKSA-N 2 2 382.508 3.042 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000129387328 1416201057 /nfs/dbraw/zinc/20/10/57/1416201057.db2.gz CIMFADQUIBKWON-QGCDCVKKSA-N 2 2 382.508 3.042 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129460707 1416213226 /nfs/dbraw/zinc/21/32/26/1416213226.db2.gz ATRXPYDRROUYMO-ZWOKBUDYSA-N 2 2 398.507 3.358 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129460707 1416213231 /nfs/dbraw/zinc/21/32/31/1416213231.db2.gz ATRXPYDRROUYMO-ZWOKBUDYSA-N 2 2 398.507 3.358 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000135969299 1417282341 /nfs/dbraw/zinc/28/23/41/1417282341.db2.gz DYRHFZONUCAARU-UHFFFAOYSA-N 2 2 393.304 3.025 10 0 GGAELP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000136576329 1417328034 /nfs/dbraw/zinc/32/80/34/1417328034.db2.gz AQHYHKDTPREMIT-MSOLQXFVSA-N 2 2 385.321 3.446 10 0 GGAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136603038 1417331549 /nfs/dbraw/zinc/33/15/49/1417331549.db2.gz COOCPPGICTUHRN-NHCUHLMSSA-N 2 2 388.943 3.383 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000157150260 1423937995 /nfs/dbraw/zinc/93/79/95/1423937995.db2.gz UHKKLNRKHAVPIC-SFHVURJKSA-N 2 2 390.890 3.273 10 0 GGAELP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000174301535 1427092426 /nfs/dbraw/zinc/09/24/26/1427092426.db2.gz HPQJWWRKBXPTTG-LJQANCHMSA-N 2 2 395.547 3.305 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921997 1430813673 /nfs/dbraw/zinc/81/36/73/1430813673.db2.gz CHQJBEISDTWZND-AEFFLSMTSA-N 2 2 386.565 3.055 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183921997 1430813674 /nfs/dbraw/zinc/81/36/74/1430813674.db2.gz CHQJBEISDTWZND-AEFFLSMTSA-N 2 2 386.565 3.055 10 0 GGAELP Cc1cc(C)c(N2CC[C@H]([NH+]3CCC(Cc4[nH+]ccn4C)CC3)C2=O)c(C)c1 ZINC000190525918 1432397984 /nfs/dbraw/zinc/39/79/84/1432397984.db2.gz VTPWFQSSYRVNPH-FQEVSTJZSA-N 2 2 380.536 3.405 10 0 GGAELP C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237497431 1433406540 /nfs/dbraw/zinc/40/65/40/1433406540.db2.gz AVNOMVBJDAUOCG-INIZCTEOSA-N 2 2 385.483 3.200 10 0 GGAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562852 1433485355 /nfs/dbraw/zinc/48/53/55/1433485355.db2.gz CTHLQZJYNFRUSE-SOLBZPMBSA-N 2 2 397.548 3.423 10 0 GGAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245562852 1433485356 /nfs/dbraw/zinc/48/53/56/1433485356.db2.gz CTHLQZJYNFRUSE-SOLBZPMBSA-N 2 2 397.548 3.423 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000245904773 1433538959 /nfs/dbraw/zinc/53/89/59/1433538959.db2.gz HITXMYGIVBZYSA-XZOQPEGZSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000245904773 1433538965 /nfs/dbraw/zinc/53/89/65/1433538965.db2.gz HITXMYGIVBZYSA-XZOQPEGZSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512798 1433623786 /nfs/dbraw/zinc/62/37/86/1433623786.db2.gz IBYIPPAROZOVNW-FHLIZLRMSA-N 2 2 386.883 3.060 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000246512798 1433623787 /nfs/dbraw/zinc/62/37/87/1433623787.db2.gz IBYIPPAROZOVNW-FHLIZLRMSA-N 2 2 386.883 3.060 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000246914998 1433686979 /nfs/dbraw/zinc/68/69/79/1433686979.db2.gz BOQYGGIQNOBAEJ-DENIHFKCSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000246914998 1433686980 /nfs/dbraw/zinc/68/69/80/1433686980.db2.gz BOQYGGIQNOBAEJ-DENIHFKCSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000246915047 1433686984 /nfs/dbraw/zinc/68/69/84/1433686984.db2.gz BOQYGGIQNOBAEJ-SIKLNZKXSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000246915047 1433686985 /nfs/dbraw/zinc/68/69/85/1433686985.db2.gz BOQYGGIQNOBAEJ-SIKLNZKXSA-N 2 2 380.536 3.247 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000246924220 1433687845 /nfs/dbraw/zinc/68/78/45/1433687845.db2.gz BSDURJYCWWXUGE-NQSCKRDGSA-N 2 2 384.524 3.288 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000246924220 1433687846 /nfs/dbraw/zinc/68/78/46/1433687846.db2.gz BSDURJYCWWXUGE-NQSCKRDGSA-N 2 2 384.524 3.288 10 0 GGAELP CCN(C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000247268338 1433698733 /nfs/dbraw/zinc/69/87/33/1433698733.db2.gz GQOOBVDTDLJVMK-RDJZCZTQSA-N 2 2 383.521 3.429 10 0 GGAELP CCN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000247268338 1433698735 /nfs/dbraw/zinc/69/87/35/1433698735.db2.gz GQOOBVDTDLJVMK-RDJZCZTQSA-N 2 2 383.521 3.429 10 0 GGAELP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[N@H+](C)Cc1ccccc1 ZINC000247352473 1433712171 /nfs/dbraw/zinc/71/21/71/1433712171.db2.gz HAXCICBMHPANOI-DYXWJJEUSA-N 2 2 383.540 3.386 10 0 GGAELP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000247352473 1433712182 /nfs/dbraw/zinc/71/21/82/1433712182.db2.gz HAXCICBMHPANOI-DYXWJJEUSA-N 2 2 383.540 3.386 10 0 GGAELP Cc1noc([C@@]23C[N@H+](Cc4cccnc4)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257195464 1433894859 /nfs/dbraw/zinc/89/48/59/1433894859.db2.gz WDVKEYLFJNPNTO-GMAHTHKFSA-N 2 2 389.503 3.049 10 0 GGAELP Cc1noc([C@@]23C[N@@H+](Cc4cccnc4)C[C@@H]2CC[NH+](Cc2ccccc2)C3)n1 ZINC000257195464 1433894861 /nfs/dbraw/zinc/89/48/61/1433894861.db2.gz WDVKEYLFJNPNTO-GMAHTHKFSA-N 2 2 389.503 3.049 10 0 GGAELP Cc1noc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2CC[N@H+](Cc2ccccc2)C3)n1 ZINC000257195464 1433894863 /nfs/dbraw/zinc/89/48/63/1433894863.db2.gz WDVKEYLFJNPNTO-GMAHTHKFSA-N 2 2 389.503 3.049 10 0 GGAELP Cc1noc([C@@]23C[NH+](Cc4cccnc4)C[C@@H]2CC[N@@H+](Cc2ccccc2)C3)n1 ZINC000257195464 1433894864 /nfs/dbraw/zinc/89/48/64/1433894864.db2.gz WDVKEYLFJNPNTO-GMAHTHKFSA-N 2 2 389.503 3.049 10 0 GGAELP O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000007750252 204248561 /nfs/dbraw/zinc/24/85/61/204248561.db2.gz HRXJNAOGUPLDEY-JOCHJYFZSA-N 2 2 392.528 3.171 10 0 GGAELP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000007805485 204251319 /nfs/dbraw/zinc/25/13/19/204251319.db2.gz SAUVDJRPMTXMGE-UHFFFAOYSA-N 2 2 381.476 3.082 10 0 GGAELP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000007805485 204251325 /nfs/dbraw/zinc/25/13/25/204251325.db2.gz SAUVDJRPMTXMGE-UHFFFAOYSA-N 2 2 381.476 3.082 10 0 GGAELP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cnc(C)nc4)C3)C2)c1OC ZINC000011874510 204359257 /nfs/dbraw/zinc/35/92/57/204359257.db2.gz IOHLCGYPFYAWRE-QHCPKHFHSA-N 2 2 396.535 3.290 10 0 GGAELP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cnc(C)nc4)C3)C2)c1OC ZINC000011874510 204359261 /nfs/dbraw/zinc/35/92/61/204359261.db2.gz IOHLCGYPFYAWRE-QHCPKHFHSA-N 2 2 396.535 3.290 10 0 GGAELP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cnc(C)nc4)C3)C2)c1OC ZINC000011874510 204359263 /nfs/dbraw/zinc/35/92/63/204359263.db2.gz IOHLCGYPFYAWRE-QHCPKHFHSA-N 2 2 396.535 3.290 10 0 GGAELP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cnc(C)nc4)C3)C2)c1OC ZINC000011874510 204359268 /nfs/dbraw/zinc/35/92/68/204359268.db2.gz IOHLCGYPFYAWRE-QHCPKHFHSA-N 2 2 396.535 3.290 10 0 GGAELP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)nc1 ZINC000011938555 204363878 /nfs/dbraw/zinc/36/38/78/204363878.db2.gz XWQFKYJEYHPBLK-FQEVSTJZSA-N 2 2 394.519 3.351 10 0 GGAELP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)CC2)nc1 ZINC000011938555 204363881 /nfs/dbraw/zinc/36/38/81/204363881.db2.gz XWQFKYJEYHPBLK-FQEVSTJZSA-N 2 2 394.519 3.351 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1cccc(C)c1 ZINC000036316577 205010319 /nfs/dbraw/zinc/01/03/19/205010319.db2.gz UOWJJHJSEWYFKX-UHFFFAOYSA-N 2 2 382.552 3.140 10 0 GGAELP CC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340266 205010499 /nfs/dbraw/zinc/01/04/99/205010499.db2.gz AUJMHOZXTMEVJU-IBGZPJMESA-N 2 2 388.943 3.231 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccc(Cl)cc1 ZINC000036340748 205011263 /nfs/dbraw/zinc/01/12/63/205011263.db2.gz GPXZYGDZMGJVHB-HNNXBMFYSA-N 2 2 388.943 3.094 10 0 GGAELP CCCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340445 205011293 /nfs/dbraw/zinc/01/12/93/205011293.db2.gz QORZXCBRLUVTSH-NRFANRHFSA-N 2 2 382.552 3.357 10 0 GGAELP CC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340267 205011413 /nfs/dbraw/zinc/01/14/13/205011413.db2.gz AUJMHOZXTMEVJU-LJQANCHMSA-N 2 2 388.943 3.231 10 0 GGAELP CN(c1nc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1N)C1CC[NH+](C)CC1 ZINC000040799912 205072586 /nfs/dbraw/zinc/07/25/86/205072586.db2.gz XLNZKCWKPJFXDR-UHFFFAOYSA-N 2 2 380.418 3.352 10 0 GGAELP CC(C)[C@H]1C[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)CCC[NH+]1CC1CC1 ZINC000071589778 205285259 /nfs/dbraw/zinc/28/52/59/205285259.db2.gz JSOLLLFVIVBXEU-JOCHJYFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@H]1C[N@H+](C2CCN(C(=O)c3cccnc3)CC2)CCC[NH+]1CC1CC1 ZINC000071589778 205285262 /nfs/dbraw/zinc/28/52/62/205285262.db2.gz JSOLLLFVIVBXEU-JOCHJYFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3cccnc3)CC2)CCC[N@@H+]1CC1CC1 ZINC000071589778 205285267 /nfs/dbraw/zinc/28/52/67/205285267.db2.gz JSOLLLFVIVBXEU-JOCHJYFZSA-N 2 2 384.568 3.129 10 0 GGAELP CC(C)[C@H]1C[NH+](C2CCN(C(=O)c3cccnc3)CC2)CCC[N@H+]1CC1CC1 ZINC000071589778 205285271 /nfs/dbraw/zinc/28/52/71/205285271.db2.gz JSOLLLFVIVBXEU-JOCHJYFZSA-N 2 2 384.568 3.129 10 0 GGAELP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427199 206147623 /nfs/dbraw/zinc/14/76/23/206147623.db2.gz DORMKVKLVIABCW-RDJZCZTQSA-N 2 2 386.471 3.075 10 0 GGAELP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427199 206147628 /nfs/dbraw/zinc/14/76/28/206147628.db2.gz DORMKVKLVIABCW-RDJZCZTQSA-N 2 2 386.471 3.075 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000121758692 564385685 /nfs/dbraw/zinc/38/56/85/564385685.db2.gz DKXRSKOKONBOBX-UHFFFAOYSA-N 2 2 388.313 3.285 10 0 GGAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817283 564428616 /nfs/dbraw/zinc/42/86/16/564428616.db2.gz UISPBBRWMDFZRV-QGZVFWFLSA-N 2 2 376.595 3.474 10 0 GGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817283 564428620 /nfs/dbraw/zinc/42/86/20/564428620.db2.gz UISPBBRWMDFZRV-QGZVFWFLSA-N 2 2 376.595 3.474 10 0 GGAELP C[C@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000123634672 564456598 /nfs/dbraw/zinc/45/65/98/564456598.db2.gz QAHRYYLIELPDDX-OAHLLOKOSA-N 2 2 396.373 3.085 10 0 GGAELP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123967302 564467642 /nfs/dbraw/zinc/46/76/42/564467642.db2.gz LRRCCWKAEWQCCJ-ZQIUZPCESA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123967302 564467646 /nfs/dbraw/zinc/46/76/46/564467646.db2.gz LRRCCWKAEWQCCJ-ZQIUZPCESA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123967302 564467650 /nfs/dbraw/zinc/46/76/50/564467650.db2.gz LRRCCWKAEWQCCJ-ZQIUZPCESA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123967302 564467657 /nfs/dbraw/zinc/46/76/57/564467657.db2.gz LRRCCWKAEWQCCJ-ZQIUZPCESA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123966904 564467789 /nfs/dbraw/zinc/46/77/89/564467789.db2.gz LRRCCWKAEWQCCJ-GRDNDAEWSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123966904 564467795 /nfs/dbraw/zinc/46/77/95/564467795.db2.gz LRRCCWKAEWQCCJ-GRDNDAEWSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123966904 564467799 /nfs/dbraw/zinc/46/77/99/564467799.db2.gz LRRCCWKAEWQCCJ-GRDNDAEWSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1 ZINC000123966904 564467804 /nfs/dbraw/zinc/46/78/04/564467804.db2.gz LRRCCWKAEWQCCJ-GRDNDAEWSA-N 2 2 382.346 3.041 10 0 GGAELP C[NH+](C)C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000135437235 564831353 /nfs/dbraw/zinc/83/13/53/564831353.db2.gz NNRXLQUTZHRTFG-GOSISDBHSA-N 2 2 394.357 3.139 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000089735567 564870080 /nfs/dbraw/zinc/87/00/80/564870080.db2.gz JWPIVJNZHKXKKS-CQSZACIVSA-N 2 2 395.276 3.196 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1F ZINC000089735567 564870082 /nfs/dbraw/zinc/87/00/82/564870082.db2.gz JWPIVJNZHKXKKS-CQSZACIVSA-N 2 2 395.276 3.196 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147727 564884976 /nfs/dbraw/zinc/88/49/76/564884976.db2.gz GANAOAUORHXGDW-MRXNPFEDSA-N 2 2 376.595 3.474 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000093147727 564884978 /nfs/dbraw/zinc/88/49/78/564884978.db2.gz GANAOAUORHXGDW-MRXNPFEDSA-N 2 2 376.595 3.474 10 0 GGAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000095400276 564899004 /nfs/dbraw/zinc/89/90/04/564899004.db2.gz BWBCWGDOLIIYDN-ICSRJNTNSA-N 2 2 389.337 3.422 10 0 GGAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000095400276 564899008 /nfs/dbraw/zinc/89/90/08/564899008.db2.gz BWBCWGDOLIIYDN-ICSRJNTNSA-N 2 2 389.337 3.422 10 0 GGAELP O[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323250 564915466 /nfs/dbraw/zinc/91/54/66/564915466.db2.gz QXKBKQZDSBJGBK-RDJZCZTQSA-N 2 2 383.330 3.099 10 0 GGAELP C[N@H+](Cc1ccc(Br)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130970 564978938 /nfs/dbraw/zinc/97/89/38/564978938.db2.gz RPKFKHVRWKBHIL-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@@H+](Cc1ccc(Br)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130970 564978942 /nfs/dbraw/zinc/97/89/42/564978942.db2.gz RPKFKHVRWKBHIL-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000106215560 564980107 /nfs/dbraw/zinc/98/01/07/564980107.db2.gz UTMKHCOXNNKTGN-AWEZNQCLSA-N 2 2 380.945 3.456 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000106215560 564980110 /nfs/dbraw/zinc/98/01/10/564980110.db2.gz UTMKHCOXNNKTGN-AWEZNQCLSA-N 2 2 380.945 3.456 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000106215557 564980237 /nfs/dbraw/zinc/98/02/37/564980237.db2.gz UTMKHCOXNNKTGN-CQSZACIVSA-N 2 2 380.945 3.456 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000106215557 564980240 /nfs/dbraw/zinc/98/02/40/564980240.db2.gz UTMKHCOXNNKTGN-CQSZACIVSA-N 2 2 380.945 3.456 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000106214847 564980408 /nfs/dbraw/zinc/98/04/08/564980408.db2.gz LHXMKCVTQFUQRV-CQSZACIVSA-N 2 2 391.313 3.484 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000106214847 564980411 /nfs/dbraw/zinc/98/04/11/564980411.db2.gz LHXMKCVTQFUQRV-CQSZACIVSA-N 2 2 391.313 3.484 10 0 GGAELP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000108084766 565005613 /nfs/dbraw/zinc/00/56/13/565005613.db2.gz BWBCWGDOLIIYDN-QUCCMNQESA-N 2 2 389.337 3.422 10 0 GGAELP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000108084766 565005616 /nfs/dbraw/zinc/00/56/16/565005616.db2.gz BWBCWGDOLIIYDN-QUCCMNQESA-N 2 2 389.337 3.422 10 0 GGAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752435 565030846 /nfs/dbraw/zinc/03/08/46/565030846.db2.gz PKERNUISNJTRKY-QGZVFWFLSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752435 565030849 /nfs/dbraw/zinc/03/08/49/565030849.db2.gz PKERNUISNJTRKY-QGZVFWFLSA-N 2 2 386.367 3.474 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295598 565065665 /nfs/dbraw/zinc/06/56/65/565065665.db2.gz HPJJQZPTEJJKQK-CHWSQXEVSA-N 2 2 388.375 3.104 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295598 565065667 /nfs/dbraw/zinc/06/56/67/565065667.db2.gz HPJJQZPTEJJKQK-CHWSQXEVSA-N 2 2 388.375 3.104 10 0 GGAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1cccc(Br)c1 ZINC000266765114 565090470 /nfs/dbraw/zinc/09/04/70/565090470.db2.gz RAKCTVDMCGMTCS-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP C[C@@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836415 565186864 /nfs/dbraw/zinc/18/68/64/565186864.db2.gz QECSLLIXUWWOFC-YVEFUNNKSA-N 2 2 382.277 3.398 10 0 GGAELP C[C@@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836415 565186868 /nfs/dbraw/zinc/18/68/68/565186868.db2.gz QECSLLIXUWWOFC-YVEFUNNKSA-N 2 2 382.277 3.398 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116803 565241229 /nfs/dbraw/zinc/24/12/29/565241229.db2.gz RAEVKBDXWMMJKN-KSSFIOAISA-N 2 2 375.314 3.260 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116803 565241235 /nfs/dbraw/zinc/24/12/35/565241235.db2.gz RAEVKBDXWMMJKN-KSSFIOAISA-N 2 2 375.314 3.260 10 0 GGAELP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105149 565241294 /nfs/dbraw/zinc/24/12/94/565241294.db2.gz MFSGABCZFXSWNE-KUHUBIRLSA-N 2 2 387.325 3.402 10 0 GGAELP Brc1ccc([C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105149 565241298 /nfs/dbraw/zinc/24/12/98/565241298.db2.gz MFSGABCZFXSWNE-KUHUBIRLSA-N 2 2 387.325 3.402 10 0 GGAELP CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372907903 565260061 /nfs/dbraw/zinc/26/00/61/565260061.db2.gz BFNSVTYVFJXYFL-AWEZNQCLSA-N 2 2 388.314 3.373 10 0 GGAELP CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372907903 565260063 /nfs/dbraw/zinc/26/00/63/565260063.db2.gz BFNSVTYVFJXYFL-AWEZNQCLSA-N 2 2 388.314 3.373 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125802 565311381 /nfs/dbraw/zinc/31/13/81/565311381.db2.gz ORKLMHRUCKREHF-YOEHRIQHSA-N 2 2 382.277 3.291 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187125802 565311385 /nfs/dbraw/zinc/31/13/85/565311385.db2.gz ORKLMHRUCKREHF-YOEHRIQHSA-N 2 2 382.277 3.291 10 0 GGAELP C[NH+](C)Cc1cc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)ccc1F ZINC000273503921 565323647 /nfs/dbraw/zinc/32/36/47/565323647.db2.gz ZCVYDFADGBJKQF-UHFFFAOYSA-N 2 2 384.904 3.234 10 0 GGAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000171648206 565441801 /nfs/dbraw/zinc/44/18/01/565441801.db2.gz PBTRNHPACSRDJQ-AWEZNQCLSA-N 2 2 389.297 3.217 10 0 GGAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000171648206 565441804 /nfs/dbraw/zinc/44/18/04/565441804.db2.gz PBTRNHPACSRDJQ-AWEZNQCLSA-N 2 2 389.297 3.217 10 0 GGAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000171648209 565442237 /nfs/dbraw/zinc/44/22/37/565442237.db2.gz PBTRNHPACSRDJQ-CQSZACIVSA-N 2 2 389.297 3.217 10 0 GGAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000171648209 565442242 /nfs/dbraw/zinc/44/22/42/565442242.db2.gz PBTRNHPACSRDJQ-CQSZACIVSA-N 2 2 389.297 3.217 10 0 GGAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301308679 565478218 /nfs/dbraw/zinc/47/82/18/565478218.db2.gz DBPPSWIAXOMXOE-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301308679 565478228 /nfs/dbraw/zinc/47/82/28/565478228.db2.gz DBPPSWIAXOMXOE-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377729869 565495457 /nfs/dbraw/zinc/49/54/57/565495457.db2.gz ZDBUPTJVMQITJP-LBPRGKRZSA-N 2 2 380.286 3.227 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377729869 565495462 /nfs/dbraw/zinc/49/54/62/565495462.db2.gz ZDBUPTJVMQITJP-LBPRGKRZSA-N 2 2 380.286 3.227 10 0 GGAELP C[NH+]1CCC(CNC(=O)CCc2ccc(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000172752220 565502218 /nfs/dbraw/zinc/50/22/18/565502218.db2.gz ZDWFWSROBPRJAV-UHFFFAOYSA-N 2 2 383.989 3.401 10 0 GGAELP Cc1nc(N2CC[NH+](Cc3ccc(Br)cc3)CC2)c(C)c(C)[nH+]1 ZINC000301727454 565508293 /nfs/dbraw/zinc/50/82/93/565508293.db2.gz VUBYPICLNJEKRT-UHFFFAOYSA-N 2 2 375.314 3.487 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000278346382 565553354 /nfs/dbraw/zinc/55/33/54/565553354.db2.gz HJFIVWBILDDTLQ-ZDUSSCGKSA-N 2 2 383.359 3.246 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000278346382 565553359 /nfs/dbraw/zinc/55/33/59/565553359.db2.gz HJFIVWBILDDTLQ-ZDUSSCGKSA-N 2 2 383.359 3.246 10 0 GGAELP C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710270 565574212 /nfs/dbraw/zinc/57/42/12/565574212.db2.gz KHXCKBVAJKUZAB-ZBFHGGJFSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710270 565574214 /nfs/dbraw/zinc/57/42/14/565574214.db2.gz KHXCKBVAJKUZAB-ZBFHGGJFSA-N 2 2 377.330 3.183 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955712 565608107 /nfs/dbraw/zinc/60/81/07/565608107.db2.gz HSMITTXHVFFVGX-XJKSGUPXSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000321955712 565608109 /nfs/dbraw/zinc/60/81/09/565608109.db2.gz HSMITTXHVFFVGX-XJKSGUPXSA-N 2 2 383.330 3.430 10 0 GGAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595747 565619247 /nfs/dbraw/zinc/61/92/47/565619247.db2.gz FUZCMKLPHAIIIZ-YXJHDRRASA-N 2 2 394.357 3.090 10 0 GGAELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595747 565619253 /nfs/dbraw/zinc/61/92/53/565619253.db2.gz FUZCMKLPHAIIIZ-YXJHDRRASA-N 2 2 394.357 3.090 10 0 GGAELP CC[NH+](CC)CCSCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000174211667 565621410 /nfs/dbraw/zinc/62/14/10/565621410.db2.gz FJEGFYCMNSLRJZ-UHFFFAOYSA-N 2 2 384.615 3.389 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777393 565658789 /nfs/dbraw/zinc/65/87/89/565658789.db2.gz DVTMKHMTYHIZGS-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777393 565658792 /nfs/dbraw/zinc/65/87/92/565658792.db2.gz DVTMKHMTYHIZGS-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777393 565658795 /nfs/dbraw/zinc/65/87/95/565658795.db2.gz DVTMKHMTYHIZGS-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777393 565658798 /nfs/dbraw/zinc/65/87/98/565658798.db2.gz DVTMKHMTYHIZGS-RHSMWYFYSA-N 2 2 382.346 3.358 10 0 GGAELP C[N@H+](CCCO)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413148339 565836251 /nfs/dbraw/zinc/83/62/51/565836251.db2.gz XSHZAHMZZYQDJE-UHFFFAOYSA-N 2 2 378.314 3.280 10 0 GGAELP C[N@@H+](CCCO)C1CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413148339 565836259 /nfs/dbraw/zinc/83/62/59/565836259.db2.gz XSHZAHMZZYQDJE-UHFFFAOYSA-N 2 2 378.314 3.280 10 0 GGAELP C[N@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177710655 565868710 /nfs/dbraw/zinc/86/87/10/565868710.db2.gz RCLSMCUIABONMA-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177710655 565868717 /nfs/dbraw/zinc/86/87/17/565868717.db2.gz RCLSMCUIABONMA-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP Brc1cccc(OCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000177927598 565881095 /nfs/dbraw/zinc/88/10/95/565881095.db2.gz SSMTUDNQKVSMBF-UHFFFAOYSA-N 2 2 390.325 3.477 10 0 GGAELP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333647146 565889958 /nfs/dbraw/zinc/88/99/58/565889958.db2.gz JWZNBGOAMXVOPZ-STQMWFEESA-N 2 2 396.333 3.001 10 0 GGAELP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333647143 565890291 /nfs/dbraw/zinc/89/02/91/565890291.db2.gz JWZNBGOAMXVOPZ-OLZOCXBDSA-N 2 2 396.333 3.001 10 0 GGAELP CN(C)c1cc(NC(=O)N2CCCC23CC[NH+](C)CC3)[nH+]cc1Br ZINC000333724857 565894726 /nfs/dbraw/zinc/89/47/26/565894726.db2.gz VVPIGVDMGARKEF-UHFFFAOYSA-N 2 2 396.333 3.002 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000414106467 565895209 /nfs/dbraw/zinc/89/52/09/565895209.db2.gz RAJCBSJVQFHPAM-HZPDHXFCSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000414106467 565895211 /nfs/dbraw/zinc/89/52/11/565895211.db2.gz RAJCBSJVQFHPAM-HZPDHXFCSA-N 2 2 392.341 3.109 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCCOc3ccc(I)cc32)c1 ZINC000414120002 565896278 /nfs/dbraw/zinc/89/62/78/565896278.db2.gz AEFWXDMPYWQASQ-HNNXBMFYSA-N 2 2 397.260 3.071 10 0 GGAELP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414137689 565898399 /nfs/dbraw/zinc/89/83/99/565898399.db2.gz KBCNWCQXKQLFOA-RDJZCZTQSA-N 2 2 384.362 3.099 10 0 GGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517869 565922769 /nfs/dbraw/zinc/92/27/69/565922769.db2.gz GQIKFFZTGDEWDR-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP C[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000178522622 565924661 /nfs/dbraw/zinc/92/46/61/565924661.db2.gz AKJHKAOWDVPKPF-PBHICJAKSA-N 2 2 383.330 3.221 10 0 GGAELP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178656444 565931515 /nfs/dbraw/zinc/93/15/15/565931515.db2.gz IYXXMZIIYMJWLG-QGZVFWFLSA-N 2 2 383.330 3.363 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833035 565962357 /nfs/dbraw/zinc/96/23/57/565962357.db2.gz OZFIDYREFHDVFY-GUYCJALGSA-N 2 2 376.298 3.456 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414832805 565962914 /nfs/dbraw/zinc/96/29/14/565962914.db2.gz OZFIDYREFHDVFY-CXAGYDPISA-N 2 2 376.298 3.456 10 0 GGAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825497 565962958 /nfs/dbraw/zinc/96/29/58/565962958.db2.gz CICIZKZVOUDGCM-SUMWQHHRSA-N 2 2 376.298 3.456 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CCC[NH2+]Cc3cccnc3)cnc12 ZINC000414870157 565963963 /nfs/dbraw/zinc/96/39/63/565963963.db2.gz CFLIKYUHYAAVJT-UHFFFAOYSA-N 2 2 388.313 3.070 10 0 GGAELP COC[C@@]1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCC[NH2+]1 ZINC000414945563 565967328 /nfs/dbraw/zinc/96/73/28/565967328.db2.gz QLQSTOPJMPILJR-KRWDZBQOSA-N 2 2 396.354 3.431 10 0 GGAELP Brc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035710 565970379 /nfs/dbraw/zinc/97/03/79/565970379.db2.gz FEAXBHKUHABNBQ-GOEBONIOSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035710 565970385 /nfs/dbraw/zinc/97/03/85/565970385.db2.gz FEAXBHKUHABNBQ-GOEBONIOSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035714 565970717 /nfs/dbraw/zinc/97/07/17/565970717.db2.gz FEAXBHKUHABNBQ-ZBFHGGJFSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035714 565970720 /nfs/dbraw/zinc/97/07/20/565970720.db2.gz FEAXBHKUHABNBQ-ZBFHGGJFSA-N 2 2 381.314 3.184 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1Br ZINC000415013038 565970885 /nfs/dbraw/zinc/97/08/85/565970885.db2.gz UMBNEEQQXGHGOD-DTWKUNHWSA-N 2 2 380.124 3.436 10 0 GGAELP Brc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035708 565970962 /nfs/dbraw/zinc/97/09/62/565970962.db2.gz FEAXBHKUHABNBQ-GDBMZVCRSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000415035708 565970963 /nfs/dbraw/zinc/97/09/63/565970963.db2.gz FEAXBHKUHABNBQ-GDBMZVCRSA-N 2 2 381.314 3.184 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCCC[C@H]3[C@H]3CC[NH2+]C3)c[nH+]c12 ZINC000415052755 565972120 /nfs/dbraw/zinc/97/21/20/565972120.db2.gz NPXLAKLVNGDMEV-YOEHRIQHSA-N 2 2 377.330 3.369 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c[nH+]c12 ZINC000415052754 565972131 /nfs/dbraw/zinc/97/21/31/565972131.db2.gz NPXLAKLVNGDMEV-WMLDXEAASA-N 2 2 377.330 3.369 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425930 565989215 /nfs/dbraw/zinc/98/92/15/565989215.db2.gz KYPCJCNBTGHVNO-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425930 565989219 /nfs/dbraw/zinc/98/92/19/565989219.db2.gz KYPCJCNBTGHVNO-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425930 565989223 /nfs/dbraw/zinc/98/92/23/565989223.db2.gz KYPCJCNBTGHVNO-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425930 565989227 /nfs/dbraw/zinc/98/92/27/565989227.db2.gz KYPCJCNBTGHVNO-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429652 565990811 /nfs/dbraw/zinc/99/08/11/565990811.db2.gz NFIQGSGXGGCEPJ-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429652 565990816 /nfs/dbraw/zinc/99/08/16/565990816.db2.gz NFIQGSGXGGCEPJ-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429652 565990819 /nfs/dbraw/zinc/99/08/19/565990819.db2.gz NFIQGSGXGGCEPJ-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429652 565990823 /nfs/dbraw/zinc/99/08/23/565990823.db2.gz NFIQGSGXGGCEPJ-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614170 565999047 /nfs/dbraw/zinc/99/90/47/565999047.db2.gz CLUINTGQHDSLSZ-QFBILLFUSA-N 2 2 386.367 3.129 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614170 565999052 /nfs/dbraw/zinc/99/90/52/565999052.db2.gz CLUINTGQHDSLSZ-QFBILLFUSA-N 2 2 386.367 3.129 10 0 GGAELP Cc1cc(Br)oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000363341907 566001845 /nfs/dbraw/zinc/00/18/45/566001845.db2.gz SURHMWOKZUVJHF-UHFFFAOYSA-N 2 2 398.345 3.031 10 0 GGAELP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246525272 566032603 /nfs/dbraw/zinc/03/26/03/566032603.db2.gz KVVQECNPMNGSTJ-YJBOKZPZSA-N 2 2 394.357 3.044 10 0 GGAELP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000246525272 566032609 /nfs/dbraw/zinc/03/26/09/566032609.db2.gz KVVQECNPMNGSTJ-YJBOKZPZSA-N 2 2 394.357 3.044 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246585267 566034127 /nfs/dbraw/zinc/03/41/27/566034127.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246585267 566034131 /nfs/dbraw/zinc/03/41/31/566034131.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246585267 566034135 /nfs/dbraw/zinc/03/41/35/566034135.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246585267 566034139 /nfs/dbraw/zinc/03/41/39/566034139.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 2 380.330 3.112 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920539 566045977 /nfs/dbraw/zinc/04/59/77/566045977.db2.gz GNOPACSRLRFKOW-UKRRQHHQSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1Br ZINC000246920539 566045980 /nfs/dbraw/zinc/04/59/80/566045980.db2.gz GNOPACSRLRFKOW-UKRRQHHQSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936841 566047452 /nfs/dbraw/zinc/04/74/52/566047452.db2.gz HJDAQPBIPPDKAB-JKSUJKDBSA-N 2 2 384.307 3.403 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056346 /nfs/dbraw/zinc/05/63/46/566056346.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 2 383.290 3.254 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056350 /nfs/dbraw/zinc/05/63/50/566056350.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056357 /nfs/dbraw/zinc/05/63/57/566056357.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056364 /nfs/dbraw/zinc/05/63/64/566056364.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 2 383.290 3.254 10 0 GGAELP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000247380133 566058767 /nfs/dbraw/zinc/05/87/67/566058767.db2.gz HZRFLIXCLRHLTR-CZUORRHYSA-N 2 2 392.297 3.500 10 0 GGAELP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000247380133 566058771 /nfs/dbraw/zinc/05/87/71/566058771.db2.gz HZRFLIXCLRHLTR-CZUORRHYSA-N 2 2 392.297 3.500 10 0 GGAELP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000247694409 566065459 /nfs/dbraw/zinc/06/54/59/566065459.db2.gz TUDMQCUOHCYJKC-PBHICJAKSA-N 2 2 391.313 3.476 10 0 GGAELP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000247694409 566065463 /nfs/dbraw/zinc/06/54/63/566065463.db2.gz TUDMQCUOHCYJKC-PBHICJAKSA-N 2 2 391.313 3.476 10 0 GGAELP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248551615 566081246 /nfs/dbraw/zinc/08/12/46/566081246.db2.gz IRXFUFFGOFDQPR-KBXCAEBGSA-N 2 2 375.314 3.260 10 0 GGAELP C[N@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000248551615 566081248 /nfs/dbraw/zinc/08/12/48/566081248.db2.gz IRXFUFFGOFDQPR-KBXCAEBGSA-N 2 2 375.314 3.260 10 0 GGAELP C[NH+](Cc1ccc(Br)cc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261414526 566124114 /nfs/dbraw/zinc/12/41/14/566124114.db2.gz UIDQMYBAYCQPBX-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccc(Br)cc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261414526 566124118 /nfs/dbraw/zinc/12/41/18/566124118.db2.gz UIDQMYBAYCQPBX-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000261414526 566124121 /nfs/dbraw/zinc/12/41/21/566124121.db2.gz UIDQMYBAYCQPBX-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000261414526 566124124 /nfs/dbraw/zinc/12/41/24/566124124.db2.gz UIDQMYBAYCQPBX-LJQANCHMSA-N 2 2 377.326 3.374 10 0 GGAELP COc1cc(Br)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368075162 566229658 /nfs/dbraw/zinc/22/96/58/566229658.db2.gz KTYUGLIHNGTVQQ-LZLYRXPVSA-N 2 2 383.330 3.141 10 0 GGAELP COc1cc(Br)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368075162 566229661 /nfs/dbraw/zinc/22/96/61/566229661.db2.gz KTYUGLIHNGTVQQ-LZLYRXPVSA-N 2 2 383.330 3.141 10 0 GGAELP Cc1c(Br)cccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000534871707 566262441 /nfs/dbraw/zinc/26/24/41/566262441.db2.gz APXWSMBJROVCON-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1c(Br)cccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000534871707 566262447 /nfs/dbraw/zinc/26/24/47/566262447.db2.gz APXWSMBJROVCON-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000668739890 566263466 /nfs/dbraw/zinc/26/34/66/566263466.db2.gz PMUOTLNUZGHCKT-INIZCTEOSA-N 2 2 379.298 3.226 10 0 GGAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000668739890 566263470 /nfs/dbraw/zinc/26/34/70/566263470.db2.gz PMUOTLNUZGHCKT-INIZCTEOSA-N 2 2 379.298 3.226 10 0 GGAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923012 566265888 /nfs/dbraw/zinc/26/58/88/566265888.db2.gz JRHRRFBPVXEKNB-MAUKXSAKSA-N 2 2 380.374 3.397 10 0 GGAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923012 566265890 /nfs/dbraw/zinc/26/58/90/566265890.db2.gz JRHRRFBPVXEKNB-MAUKXSAKSA-N 2 2 380.374 3.397 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393568 566275714 /nfs/dbraw/zinc/27/57/14/566275714.db2.gz JYMGSCVOZGYWHB-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420393568 566275720 /nfs/dbraw/zinc/27/57/20/566275720.db2.gz JYMGSCVOZGYWHB-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386438 566276145 /nfs/dbraw/zinc/27/61/45/566276145.db2.gz FVWMHFZHWVRFOH-HIFRSBDPSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386438 566276155 /nfs/dbraw/zinc/27/61/55/566276155.db2.gz FVWMHFZHWVRFOH-HIFRSBDPSA-N 2 2 383.330 3.430 10 0 GGAELP CN(C(=O)c1csc(C(F)(F)F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502684 566329501 /nfs/dbraw/zinc/32/95/01/566329501.db2.gz CWFOUWRXPNDQRD-CQSZACIVSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1csc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502684 566329506 /nfs/dbraw/zinc/32/95/06/566329506.db2.gz CWFOUWRXPNDQRD-CQSZACIVSA-N 2 2 375.460 3.007 10 0 GGAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000648923682 566330626 /nfs/dbraw/zinc/33/06/26/566330626.db2.gz OCSPNSGAPDFTAA-NSHDSACASA-N 2 2 380.290 3.259 10 0 GGAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333789 /nfs/dbraw/zinc/33/37/89/566333789.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 2 2 380.374 3.441 10 0 GGAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333797 /nfs/dbraw/zinc/33/37/97/566333797.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 2 2 380.374 3.441 10 0 GGAELP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333801 /nfs/dbraw/zinc/33/38/01/566333801.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 2 2 380.374 3.441 10 0 GGAELP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(Br)c3)CC2)CC1 ZINC000420983225 566333808 /nfs/dbraw/zinc/33/38/08/566333808.db2.gz QEOIYQFTGMEMTL-UHFFFAOYSA-N 2 2 380.374 3.441 10 0 GGAELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)s1 ZINC000482886401 566340910 /nfs/dbraw/zinc/34/09/10/566340910.db2.gz GPOAVPYMAOWUDR-LBPRGKRZSA-N 2 2 388.375 3.104 10 0 GGAELP Cc1c[nH+]ccc1CC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796099 566361400 /nfs/dbraw/zinc/36/14/00/566361400.db2.gz FJJCZAZCCNYRKD-LJQANCHMSA-N 2 2 375.310 3.205 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951978 566371343 /nfs/dbraw/zinc/37/13/43/566371343.db2.gz HOIPLXUXUQMBAJ-QWQRMKEZSA-N 2 2 397.357 3.344 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951978 566371352 /nfs/dbraw/zinc/37/13/52/566371352.db2.gz HOIPLXUXUQMBAJ-QWQRMKEZSA-N 2 2 397.357 3.344 10 0 GGAELP CCc1ccc(C[NH+]2CCN(C(=O)c3sccc3C[NH+](C)C)CC2)s1 ZINC000446919072 566371875 /nfs/dbraw/zinc/37/18/75/566371875.db2.gz QUFJAFWIEVPBSK-UHFFFAOYSA-N 2 2 377.579 3.392 10 0 GGAELP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000422642353 566461549 /nfs/dbraw/zinc/46/15/49/566461549.db2.gz ZINJIDPJZRIGJQ-QGZVFWFLSA-N 2 2 382.335 3.485 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422871585 566462474 /nfs/dbraw/zinc/46/24/74/566462474.db2.gz DEAKSGRXOZLQKJ-KYOSRNDESA-N 2 2 376.854 3.453 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000422746058 566463303 /nfs/dbraw/zinc/46/33/03/566463303.db2.gz YVYBWLVPRMFSOU-ROUUACIJSA-N 2 2 379.342 3.227 10 0 GGAELP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876880 566465477 /nfs/dbraw/zinc/46/54/77/566465477.db2.gz QVXSFRBIJGVUNW-KBPBESRZSA-N 2 2 381.250 3.451 10 0 GGAELP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000422952275 566467722 /nfs/dbraw/zinc/46/77/22/566467722.db2.gz BZZVCIYCYCMQPM-OAUYIBNBSA-N 2 2 385.371 3.286 10 0 GGAELP Clc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cs2)cc1 ZINC000423018023 566469552 /nfs/dbraw/zinc/46/95/52/566469552.db2.gz XXPZHWFIHFQVIO-ZWKOTPCHSA-N 2 2 377.941 3.363 10 0 GGAELP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Br ZINC000423093484 566474685 /nfs/dbraw/zinc/47/46/85/566474685.db2.gz HRWGFDAGGITRLA-USJZOSNVSA-N 2 2 383.305 3.191 10 0 GGAELP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)c1c[nH+]ccc1N ZINC000423122773 566477403 /nfs/dbraw/zinc/47/74/03/566477403.db2.gz CWYIGXHOOXHQJV-QWHCGFSZSA-N 2 2 394.313 3.430 10 0 GGAELP COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c(Br)c1 ZINC000423233732 566482511 /nfs/dbraw/zinc/48/25/11/566482511.db2.gz ONGHJEQURQZIAU-ZDUSSCGKSA-N 2 2 391.313 3.435 10 0 GGAELP Fc1cc(Br)cc2c1CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423235712 566483022 /nfs/dbraw/zinc/48/30/22/566483022.db2.gz RHWQKIIIIFSVDB-QGZVFWFLSA-N 2 2 391.288 3.492 10 0 GGAELP Brc1cc2c(s1)CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242611 566484626 /nfs/dbraw/zinc/48/46/26/566484626.db2.gz YZPAVPXKJQXLCV-ZDUSSCGKSA-N 2 2 379.327 3.415 10 0 GGAELP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000424190871 566517593 /nfs/dbraw/zinc/51/75/93/566517593.db2.gz MYKJHPKNGZXDNT-MRXNPFEDSA-N 2 2 377.286 3.122 10 0 GGAELP O=C(CC[NH2+]Cc1cc(Cl)sc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000449104186 566530195 /nfs/dbraw/zinc/53/01/95/566530195.db2.gz DWTXEVHQTUJCNM-UHFFFAOYSA-N 2 2 399.347 3.278 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513143121 566583394 /nfs/dbraw/zinc/58/33/94/566583394.db2.gz AAVVCNKYJIISJY-XYPWUTKMSA-N 2 2 381.314 3.293 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513143121 566583403 /nfs/dbraw/zinc/58/34/03/566583403.db2.gz AAVVCNKYJIISJY-XYPWUTKMSA-N 2 2 381.314 3.293 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513143121 566583410 /nfs/dbraw/zinc/58/34/10/566583410.db2.gz AAVVCNKYJIISJY-XYPWUTKMSA-N 2 2 381.314 3.293 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513143121 566583419 /nfs/dbraw/zinc/58/34/19/566583419.db2.gz AAVVCNKYJIISJY-XYPWUTKMSA-N 2 2 381.314 3.293 10 0 GGAELP COC(=O)C[C@@](C)([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1 ZINC000513133729 566583489 /nfs/dbraw/zinc/58/34/89/566583489.db2.gz NJRUBIZSLDEXNL-QGZVFWFLSA-N 2 2 380.286 3.104 10 0 GGAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222215 566598516 /nfs/dbraw/zinc/59/85/16/566598516.db2.gz IAIYDMXKQZPJFM-GFCCVEGCSA-N 2 2 396.384 3.269 10 0 GGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222215 566598522 /nfs/dbraw/zinc/59/85/22/566598522.db2.gz IAIYDMXKQZPJFM-GFCCVEGCSA-N 2 2 396.384 3.269 10 0 GGAELP Brc1cc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc2c1OCCO2 ZINC000539826647 566604994 /nfs/dbraw/zinc/60/49/94/566604994.db2.gz XVAJHLVSIFLPLM-UHFFFAOYSA-N 2 2 378.270 3.323 10 0 GGAELP Brc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc2c1OCCO2 ZINC000539826647 566605001 /nfs/dbraw/zinc/60/50/01/566605001.db2.gz XVAJHLVSIFLPLM-UHFFFAOYSA-N 2 2 378.270 3.323 10 0 GGAELP COC(=O)c1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(Br)c1 ZINC000560259691 566611322 /nfs/dbraw/zinc/61/13/22/566611322.db2.gz BSFVSGHVGDZLQE-UHFFFAOYSA-N 2 2 388.265 3.216 10 0 GGAELP COc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396164 566652842 /nfs/dbraw/zinc/65/28/42/566652842.db2.gz JJFHSPKJZDLBGN-GXSJLCMTSA-N 2 2 379.245 3.289 10 0 GGAELP COc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396167 566653073 /nfs/dbraw/zinc/65/30/73/566653073.db2.gz JJFHSPKJZDLBGN-MWLCHTKSSA-N 2 2 379.245 3.289 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1Br ZINC000629396972 566654218 /nfs/dbraw/zinc/65/42/18/566654218.db2.gz RVXVEWXPLIEKIN-ONGXEEELSA-N 2 2 392.135 3.450 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1Br ZINC000629406064 566654556 /nfs/dbraw/zinc/65/45/56/566654556.db2.gz ICVYWPZHJYHBLY-QPUJVOFHSA-N 2 2 378.108 3.060 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000629396971 566655407 /nfs/dbraw/zinc/65/54/07/566655407.db2.gz RVXVEWXPLIEKIN-MWLCHTKSSA-N 2 2 392.135 3.450 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000487264053 566660785 /nfs/dbraw/zinc/66/07/85/566660785.db2.gz FZWFONJQNMMPFF-WBMJQRKESA-N 2 2 383.359 3.417 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000487264053 566660788 /nfs/dbraw/zinc/66/07/88/566660788.db2.gz FZWFONJQNMMPFF-WBMJQRKESA-N 2 2 383.359 3.417 10 0 GGAELP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)cc2C(F)(F)F)CC1 ZINC000450370066 566663988 /nfs/dbraw/zinc/66/39/88/566663988.db2.gz VFUDLMYSIOKYNO-UHFFFAOYSA-N 2 2 395.267 3.301 10 0 GGAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1c(Br)cnn1C ZINC000487321882 566664056 /nfs/dbraw/zinc/66/40/56/566664056.db2.gz RPLPHRRWKSDHDM-HUUCEWRRSA-N 2 2 391.357 3.429 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487321885 566664116 /nfs/dbraw/zinc/66/41/16/566664116.db2.gz RPLPHRRWKSDHDM-QWHZDKJVSA-N 2 2 391.357 3.429 10 0 GGAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000487321885 566664124 /nfs/dbraw/zinc/66/41/24/566664124.db2.gz RPLPHRRWKSDHDM-QWHZDKJVSA-N 2 2 391.357 3.429 10 0 GGAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1c(Br)cnn1C ZINC000487321878 566664175 /nfs/dbraw/zinc/66/41/75/566664175.db2.gz RPLPHRRWKSDHDM-GJZGRUSLSA-N 2 2 391.357 3.429 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1sccc1Br ZINC000541226028 566705128 /nfs/dbraw/zinc/70/51/28/566705128.db2.gz QPZADBDGVKQEJC-YPMHNXCESA-N 2 2 397.342 3.086 10 0 GGAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000580929618 566736589 /nfs/dbraw/zinc/73/65/89/566736589.db2.gz FVTVLMZMAFPKGS-ZDUSSCGKSA-N 2 2 385.270 3.147 10 0 GGAELP Ic1cccc(C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000451196229 566775430 /nfs/dbraw/zinc/77/54/30/566775430.db2.gz WBRRCJSNJCYLQI-INIZCTEOSA-N 2 2 395.288 3.442 10 0 GGAELP Ic1cccc(C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000451196229 566775439 /nfs/dbraw/zinc/77/54/39/566775439.db2.gz WBRRCJSNJCYLQI-INIZCTEOSA-N 2 2 395.288 3.442 10 0 GGAELP C[C@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c2ccsc2S1 ZINC000542156983 566778404 /nfs/dbraw/zinc/77/84/04/566778404.db2.gz IZPADBVYRHOWPW-AEGPPILISA-N 2 2 376.551 3.188 10 0 GGAELP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000581487655 566782143 /nfs/dbraw/zinc/78/21/43/566782143.db2.gz ZKVHMEPQGLPMHF-KRWDZBQOSA-N 2 2 376.298 3.458 10 0 GGAELP C[NH+](C)Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1Br ZINC000581668037 566797877 /nfs/dbraw/zinc/79/78/77/566797877.db2.gz YUIBNFQCLTVZCM-GOSISDBHSA-N 2 2 388.309 3.164 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146981 566807950 /nfs/dbraw/zinc/80/79/50/566807950.db2.gz RGNRKFLGNSHDOW-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000517146981 566807957 /nfs/dbraw/zinc/80/79/57/566807957.db2.gz RGNRKFLGNSHDOW-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP CC1CC[NH+](CCN2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000489954764 566818503 /nfs/dbraw/zinc/81/85/03/566818503.db2.gz KZPKLJNZIUCWFY-UHFFFAOYSA-N 2 2 380.374 3.299 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887762 566832512 /nfs/dbraw/zinc/83/25/12/566832512.db2.gz UIIZHJPGDNSGPS-HIFRSBDPSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887762 566832524 /nfs/dbraw/zinc/83/25/24/566832524.db2.gz UIIZHJPGDNSGPS-HIFRSBDPSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887764 566832923 /nfs/dbraw/zinc/83/29/23/566832923.db2.gz UIIZHJPGDNSGPS-UKRRQHHQSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000631887764 566832928 /nfs/dbraw/zinc/83/29/28/566832928.db2.gz UIIZHJPGDNSGPS-UKRRQHHQSA-N 2 2 377.286 3.073 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235388 566842566 /nfs/dbraw/zinc/84/25/66/566842566.db2.gz CHCAZGJYGOHDJD-PNPHSEOMSA-N 2 2 389.297 3.146 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655755576 566845725 /nfs/dbraw/zinc/84/57/25/566845725.db2.gz FMBSUXCOMBLYKD-QGZVFWFLSA-N 2 2 383.330 3.191 10 0 GGAELP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655763545 566845794 /nfs/dbraw/zinc/84/57/94/566845794.db2.gz PRSILKIXACWSJJ-YOEHRIQHSA-N 2 2 381.314 3.116 10 0 GGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757750 566845934 /nfs/dbraw/zinc/84/59/34/566845934.db2.gz KQIXVLNLYPWJCQ-CJNGLKHVSA-N 2 2 383.330 3.362 10 0 GGAELP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000655775632 566846605 /nfs/dbraw/zinc/84/66/05/566846605.db2.gz AWEUCLRQGBDKEU-CQSZACIVSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000655775632 566846616 /nfs/dbraw/zinc/84/66/16/566846616.db2.gz AWEUCLRQGBDKEU-CQSZACIVSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000655776949 566847934 /nfs/dbraw/zinc/84/79/34/566847934.db2.gz NKRNFEDNGQEMRT-HNNXBMFYSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000655776949 566847937 /nfs/dbraw/zinc/84/79/37/566847937.db2.gz NKRNFEDNGQEMRT-HNNXBMFYSA-N 2 2 386.297 3.313 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336586 566849243 /nfs/dbraw/zinc/84/92/43/566849243.db2.gz AJVGPDLZGZBUMA-QYZOEREBSA-N 2 2 397.357 3.370 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336586 566849251 /nfs/dbraw/zinc/84/92/51/566849251.db2.gz AJVGPDLZGZBUMA-QYZOEREBSA-N 2 2 397.357 3.370 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)s1 ZINC000543085529 566850639 /nfs/dbraw/zinc/85/06/39/566850639.db2.gz QUNYBWMZNDRZQV-RYUDHWBXSA-N 2 2 397.342 3.086 10 0 GGAELP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)CC2 ZINC000582729262 566889279 /nfs/dbraw/zinc/88/92/79/566889279.db2.gz IWMAGUZITXTVCH-CQSZACIVSA-N 2 2 391.313 3.217 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1oc3ccccc3c1Br)CCO2 ZINC000656264828 566894392 /nfs/dbraw/zinc/89/43/92/566894392.db2.gz UOCBJXJAHVSPEU-UHFFFAOYSA-N 2 2 379.298 3.492 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1oc3ccccc3c1Br)CCO2 ZINC000656264828 566894403 /nfs/dbraw/zinc/89/44/03/566894403.db2.gz UOCBJXJAHVSPEU-UHFFFAOYSA-N 2 2 379.298 3.492 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000680635219 566923343 /nfs/dbraw/zinc/92/33/43/566923343.db2.gz KFXCJRUNDIRCMF-KRWDZBQOSA-N 2 2 394.357 3.046 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000680635219 566923348 /nfs/dbraw/zinc/92/33/48/566923348.db2.gz KFXCJRUNDIRCMF-KRWDZBQOSA-N 2 2 394.357 3.046 10 0 GGAELP Brc1ccc2ncc(C[NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)n2c1 ZINC000656789046 566950805 /nfs/dbraw/zinc/95/08/05/566950805.db2.gz OPRKTAAWOJXLRM-QZTJIDSGSA-N 2 2 385.309 3.332 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781991 566950878 /nfs/dbraw/zinc/95/08/78/566950878.db2.gz BWPHAUMXIDWSBX-MRXNPFEDSA-N 2 2 384.973 3.345 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656781991 566950881 /nfs/dbraw/zinc/95/08/81/566950881.db2.gz BWPHAUMXIDWSBX-MRXNPFEDSA-N 2 2 384.973 3.345 10 0 GGAELP CCCn1cc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000544709923 566985584 /nfs/dbraw/zinc/98/55/84/566985584.db2.gz NECCWAABOGHHNK-UHFFFAOYSA-N 2 2 376.302 3.344 10 0 GGAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1 ZINC000613396372 567034645 /nfs/dbraw/zinc/03/46/45/567034645.db2.gz DPGCSKJAPOXQJN-HNNXBMFYSA-N 2 2 377.941 3.397 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)cc1 ZINC000613396373 567035363 /nfs/dbraw/zinc/03/53/63/567035363.db2.gz DPGCSKJAPOXQJN-OAHLLOKOSA-N 2 2 377.941 3.397 10 0 GGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3c(F)cncc3Br)[nH+]c2)C1 ZINC000657412981 567054911 /nfs/dbraw/zinc/05/49/11/567054911.db2.gz FPYKFTQFUMEMFF-CYBMUJFWSA-N 2 2 394.292 3.131 10 0 GGAELP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000584604453 567058171 /nfs/dbraw/zinc/05/81/71/567058171.db2.gz UOSYXOBWUPZLGR-QGZVFWFLSA-N 2 2 392.297 3.158 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252781 567067777 /nfs/dbraw/zinc/06/77/77/567067777.db2.gz CENFJPCQFMNQSS-GDBMZVCRSA-N 2 2 385.371 3.422 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252781 567067783 /nfs/dbraw/zinc/06/77/83/567067783.db2.gz CENFJPCQFMNQSS-GDBMZVCRSA-N 2 2 385.371 3.422 10 0 GGAELP COCCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000453254275 567069477 /nfs/dbraw/zinc/06/94/77/567069477.db2.gz DKXIGPMZRFSLDA-OALUTQOASA-N 2 2 399.373 3.353 10 0 GGAELP COCCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000453254275 567069483 /nfs/dbraw/zinc/06/94/83/567069483.db2.gz DKXIGPMZRFSLDA-OALUTQOASA-N 2 2 399.373 3.353 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267751 567069817 /nfs/dbraw/zinc/06/98/17/567069817.db2.gz PQOPGQGLUMCLQM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453267751 567069820 /nfs/dbraw/zinc/06/98/20/567069820.db2.gz PQOPGQGLUMCLQM-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255290 567069933 /nfs/dbraw/zinc/06/99/33/567069933.db2.gz FKFKNHGAFYJRJT-RHSMWYFYSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453255290 567069935 /nfs/dbraw/zinc/06/99/35/567069935.db2.gz FKFKNHGAFYJRJT-RHSMWYFYSA-N 2 2 383.330 3.099 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136793 567123601 /nfs/dbraw/zinc/12/36/01/567123601.db2.gz IIUNHDLYOPEBOF-IUODEOHRSA-N 2 2 396.354 3.323 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136793 567123603 /nfs/dbraw/zinc/12/36/03/567123603.db2.gz IIUNHDLYOPEBOF-IUODEOHRSA-N 2 2 396.354 3.323 10 0 GGAELP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637166776 567182582 /nfs/dbraw/zinc/18/25/82/567182582.db2.gz IWKQHDAYMWVSNI-AWEZNQCLSA-N 2 2 380.945 3.123 10 0 GGAELP CN(C(=O)c1cc2cc(Cl)sc2[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637166776 567182589 /nfs/dbraw/zinc/18/25/89/567182589.db2.gz IWKQHDAYMWVSNI-AWEZNQCLSA-N 2 2 380.945 3.123 10 0 GGAELP C[C@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC[N@@H+]1CCO ZINC000432847715 567196151 /nfs/dbraw/zinc/19/61/51/567196151.db2.gz VYLNWLNUKMLGGT-ZDUSSCGKSA-N 2 2 390.325 3.378 10 0 GGAELP C[C@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC[N@H+]1CCO ZINC000432847715 567196160 /nfs/dbraw/zinc/19/61/60/567196160.db2.gz VYLNWLNUKMLGGT-ZDUSSCGKSA-N 2 2 390.325 3.378 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(Br)cs1 ZINC000567009580 567209940 /nfs/dbraw/zinc/20/99/40/567209940.db2.gz UBBTUFAXENHBPG-AAEUAGOBSA-N 2 2 397.342 3.086 10 0 GGAELP Brc1cnn(CCCC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000475203102 567231987 /nfs/dbraw/zinc/23/19/87/567231987.db2.gz LGPFEFYHPGZHIS-UHFFFAOYSA-N 2 2 380.315 3.463 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659980721 567243947 /nfs/dbraw/zinc/24/39/47/567243947.db2.gz YPHUAZDOIZNZBG-CQSZACIVSA-N 2 2 390.753 3.430 10 0 GGAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000659980721 567243953 /nfs/dbraw/zinc/24/39/53/567243953.db2.gz YPHUAZDOIZNZBG-CQSZACIVSA-N 2 2 390.753 3.430 10 0 GGAELP NC(=O)[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1cccc(Br)c1 ZINC000475440772 567247854 /nfs/dbraw/zinc/24/78/54/567247854.db2.gz BXGUTWYGVASHRN-OAHLLOKOSA-N 2 2 391.294 3.013 10 0 GGAELP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081509 567262603 /nfs/dbraw/zinc/26/26/03/567262603.db2.gz DKGWYNGNAIVOMM-XJKSGUPXSA-N 2 2 377.286 3.310 10 0 GGAELP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081509 567262608 /nfs/dbraw/zinc/26/26/08/567262608.db2.gz DKGWYNGNAIVOMM-XJKSGUPXSA-N 2 2 377.286 3.310 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081507 567262996 /nfs/dbraw/zinc/26/29/96/567262996.db2.gz DKGWYNGNAIVOMM-CJNGLKHVSA-N 2 2 377.286 3.310 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591081507 567262997 /nfs/dbraw/zinc/26/29/97/567262997.db2.gz DKGWYNGNAIVOMM-CJNGLKHVSA-N 2 2 377.286 3.310 10 0 GGAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(Br)c2OC)CC1 ZINC000475618057 567263161 /nfs/dbraw/zinc/26/31/61/567263161.db2.gz AUTNRGMQOAJZRP-UHFFFAOYSA-N 2 2 392.297 3.184 10 0 GGAELP CSc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)cc1Cl ZINC000617765841 567332907 /nfs/dbraw/zinc/33/29/07/567332907.db2.gz SHFHMWHARJUDBL-UHFFFAOYSA-N 2 2 378.369 3.329 10 0 GGAELP CSc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1Cl ZINC000617765841 567332910 /nfs/dbraw/zinc/33/29/10/567332910.db2.gz SHFHMWHARJUDBL-UHFFFAOYSA-N 2 2 378.369 3.329 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527625396 567352013 /nfs/dbraw/zinc/35/20/13/567352013.db2.gz SVJKSWGWEIAJSK-UHFFFAOYSA-N 2 2 398.364 3.362 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccc(F)c(Br)c3C2)CC1 ZINC000527625396 567352021 /nfs/dbraw/zinc/35/20/21/567352021.db2.gz SVJKSWGWEIAJSK-UHFFFAOYSA-N 2 2 398.364 3.362 10 0 GGAELP Brc1sccc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000527650191 567354331 /nfs/dbraw/zinc/35/43/31/567354331.db2.gz NYISMMFQROIGMG-UHFFFAOYSA-N 3 2 395.370 3.208 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654968 567356765 /nfs/dbraw/zinc/35/67/65/567356765.db2.gz VKTCWLSCBJUUQG-ZDUSSCGKSA-N 2 2 399.358 3.101 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527654968 567356768 /nfs/dbraw/zinc/35/67/68/567356768.db2.gz VKTCWLSCBJUUQG-ZDUSSCGKSA-N 2 2 399.358 3.101 10 0 GGAELP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000527663897 567358625 /nfs/dbraw/zinc/35/86/25/567358625.db2.gz GJJCHRSACDWWNO-SJORKVTESA-N 2 2 395.366 3.483 10 0 GGAELP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000527663897 567358628 /nfs/dbraw/zinc/35/86/28/567358628.db2.gz GJJCHRSACDWWNO-SJORKVTESA-N 2 2 395.366 3.483 10 0 GGAELP C[NH+](C)C1CCN(c2ccc(NCc3ccsc3Br)[nH+]c2)CC1 ZINC000527678637 567360245 /nfs/dbraw/zinc/36/02/45/567360245.db2.gz YGMKCIULPVJYFN-UHFFFAOYSA-N 2 2 395.370 3.470 10 0 GGAELP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000527708545 567366827 /nfs/dbraw/zinc/36/68/27/567366827.db2.gz BUUIDDKXBGWZMU-JTQLQIEISA-N 2 2 378.299 3.271 10 0 GGAELP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000527708545 567366831 /nfs/dbraw/zinc/36/68/31/567366831.db2.gz BUUIDDKXBGWZMU-JTQLQIEISA-N 2 2 378.299 3.271 10 0 GGAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000569511068 567408937 /nfs/dbraw/zinc/40/89/37/567408937.db2.gz CCCINJKHNOTUMA-HOTGVXAUSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000569511068 567408943 /nfs/dbraw/zinc/40/89/43/567408943.db2.gz CCCINJKHNOTUMA-HOTGVXAUSA-N 2 2 392.341 3.109 10 0 GGAELP O[C@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153164 567411995 /nfs/dbraw/zinc/41/19/95/567411995.db2.gz ORYOZQYJINKNFV-HKUYNNGSSA-N 2 2 379.342 3.358 10 0 GGAELP O[C@H]1CC[N@H+](C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153164 567411998 /nfs/dbraw/zinc/41/19/98/567411998.db2.gz ORYOZQYJINKNFV-HKUYNNGSSA-N 2 2 379.342 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285441 567423598 /nfs/dbraw/zinc/42/35/98/567423598.db2.gz JUCZOFWOBXUJRG-KFNAQCHYSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285441 567423604 /nfs/dbraw/zinc/42/36/04/567423604.db2.gz JUCZOFWOBXUJRG-KFNAQCHYSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285006 567424440 /nfs/dbraw/zinc/42/44/40/567424440.db2.gz TZQFMURESZRBLI-DAXOMENPSA-N 2 2 388.737 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285006 567424445 /nfs/dbraw/zinc/42/44/45/567424445.db2.gz TZQFMURESZRBLI-DAXOMENPSA-N 2 2 388.737 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281235 567424736 /nfs/dbraw/zinc/42/47/36/567424736.db2.gz KPZGJDCPJHMQCH-CZUORRHYSA-N 2 2 388.737 3.216 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321817 567427070 /nfs/dbraw/zinc/42/70/70/567427070.db2.gz DONPPPYDHAHBCD-CQSZACIVSA-N 2 2 382.302 3.133 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2nc3cc(Br)ccc3o2)CCO1 ZINC000662321817 567427073 /nfs/dbraw/zinc/42/70/73/567427073.db2.gz DONPPPYDHAHBCD-CQSZACIVSA-N 2 2 382.302 3.133 10 0 GGAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320716 567427329 /nfs/dbraw/zinc/42/73/29/567427329.db2.gz DMWOGOSXCYEGJM-INIZCTEOSA-N 2 2 391.309 3.395 10 0 GGAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOc3cc(Br)ccc3C2)cc1 ZINC000662320716 567427333 /nfs/dbraw/zinc/42/73/33/567427333.db2.gz DMWOGOSXCYEGJM-INIZCTEOSA-N 2 2 391.309 3.395 10 0 GGAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569843014 567435968 /nfs/dbraw/zinc/43/59/68/567435968.db2.gz HKTVJPVOBLDVIP-LESCRADOSA-N 2 2 394.357 3.172 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497521 567512141 /nfs/dbraw/zinc/51/21/41/567512141.db2.gz GPSABESQTFXFKI-UHFFFAOYSA-N 2 2 375.314 3.093 10 0 GGAELP COc1c(Br)cc(Br)cc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663498624 567512710 /nfs/dbraw/zinc/51/27/10/567512710.db2.gz QOYWDVFMQDOUOP-UHFFFAOYSA-N 2 2 390.119 3.062 10 0 GGAELP Clc1ccc(I)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000594943195 567527552 /nfs/dbraw/zinc/52/75/52/567527552.db2.gz ICAHHYXHLQYETM-NSHDSACASA-N 2 2 387.652 3.315 10 0 GGAELP Clc1ccc(I)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000594943195 567527557 /nfs/dbraw/zinc/52/75/57/567527557.db2.gz ICAHHYXHLQYETM-NSHDSACASA-N 2 2 387.652 3.315 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000595052777 567539618 /nfs/dbraw/zinc/53/96/18/567539618.db2.gz VVMQATMCPMOIEO-GXTWGEPZSA-N 2 2 379.245 3.149 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000595052777 567539624 /nfs/dbraw/zinc/53/96/24/567539624.db2.gz VVMQATMCPMOIEO-GXTWGEPZSA-N 2 2 379.245 3.149 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031236 567561358 /nfs/dbraw/zinc/56/13/58/567561358.db2.gz DAGUYTYOTAMQBP-CJNGLKHVSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031263 567562514 /nfs/dbraw/zinc/56/25/14/567562514.db2.gz DMKMRTNRUNKZPA-DYVFJYSZSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032085 567563826 /nfs/dbraw/zinc/56/38/26/567563826.db2.gz FSLLOWKKHDFRJD-PXAZEXFGSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032085 567563830 /nfs/dbraw/zinc/56/38/30/567563830.db2.gz FSLLOWKKHDFRJD-PXAZEXFGSA-N 2 2 381.307 3.241 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625703 567566778 /nfs/dbraw/zinc/56/67/78/567566778.db2.gz KFIFNIWANCWDBO-SFHVURJKSA-N 2 2 393.325 3.040 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625703 567566783 /nfs/dbraw/zinc/56/67/83/567566783.db2.gz KFIFNIWANCWDBO-SFHVURJKSA-N 2 2 393.325 3.040 10 0 GGAELP Nc1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000571523038 567569411 /nfs/dbraw/zinc/56/94/11/567569411.db2.gz HGUNNUXZXNWZGW-UHFFFAOYSA-N 2 2 379.291 3.195 10 0 GGAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987616 567572632 /nfs/dbraw/zinc/57/26/32/567572632.db2.gz VWTOCQUQGCBZDY-ZWNOBZJWSA-N 2 2 381.236 3.386 10 0 GGAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000479987616 567572639 /nfs/dbraw/zinc/57/26/39/567572639.db2.gz VWTOCQUQGCBZDY-ZWNOBZJWSA-N 2 2 381.236 3.386 10 0 GGAELP O[C@H]1CC[N@@H+](C2CCN(c3[nH+]ccc4cc(Br)ccc43)CC2)C1 ZINC000664596269 567577525 /nfs/dbraw/zinc/57/75/25/567577525.db2.gz IHQVVWQXIYKMLM-INIZCTEOSA-N 2 2 376.298 3.033 10 0 GGAELP O[C@H]1CC[N@H+](C2CCN(c3[nH+]ccc4cc(Br)ccc43)CC2)C1 ZINC000664596269 567577531 /nfs/dbraw/zinc/57/75/31/567577531.db2.gz IHQVVWQXIYKMLM-INIZCTEOSA-N 2 2 376.298 3.033 10 0 GGAELP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000530223678 567584660 /nfs/dbraw/zinc/58/46/60/567584660.db2.gz UFWVNDLEGMLYKS-ZBFHGGJFSA-N 2 2 398.288 3.379 10 0 GGAELP CN1CC[NH+](CCCC[NH2+][C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750942 567609228 /nfs/dbraw/zinc/60/92/28/567609228.db2.gz ZFXCQSPOVXESHO-MRXNPFEDSA-N 2 2 390.316 3.373 10 0 GGAELP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750617 567609236 /nfs/dbraw/zinc/60/92/36/567609236.db2.gz SZURXKZPNSKBLK-OAHLLOKOSA-N 2 2 390.316 3.371 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000665122773 567609274 /nfs/dbraw/zinc/60/92/74/567609274.db2.gz XOVNRWNRYKLYRZ-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000665122773 567609275 /nfs/dbraw/zinc/60/92/75/567609275.db2.gz XOVNRWNRYKLYRZ-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP Brc1ccc(CC2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000665264812 567615595 /nfs/dbraw/zinc/61/55/95/567615595.db2.gz IMBBXIAUKDZMCH-MSOLQXFVSA-N 2 2 379.342 3.128 10 0 GGAELP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459337996 567616761 /nfs/dbraw/zinc/61/67/61/567616761.db2.gz KGGRWAXSPAONEJ-HNNXBMFYSA-N 2 2 377.330 3.104 10 0 GGAELP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2cc(Br)ccc2o1 ZINC000665291848 567617101 /nfs/dbraw/zinc/61/71/01/567617101.db2.gz MHSDCXRZKXXUBD-SECBINFHSA-N 2 2 377.242 3.000 10 0 GGAELP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459344871 567617113 /nfs/dbraw/zinc/61/71/13/567617113.db2.gz VFGUJLZQAXMANA-IBGZPJMESA-N 2 2 391.357 3.494 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000459363570 567619068 /nfs/dbraw/zinc/61/90/68/567619068.db2.gz RLZHFGVVWVZZIM-INIZCTEOSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1c1ccc(I)cc1 ZINC000459363570 567619073 /nfs/dbraw/zinc/61/90/73/567619073.db2.gz RLZHFGVVWVZZIM-INIZCTEOSA-N 2 2 381.261 3.404 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000459491751 567629296 /nfs/dbraw/zinc/62/92/96/567629296.db2.gz VGTWQXBZGMZHGU-OAHLLOKOSA-N 2 2 395.288 3.132 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000459491751 567629297 /nfs/dbraw/zinc/62/92/97/567629297.db2.gz VGTWQXBZGMZHGU-OAHLLOKOSA-N 2 2 395.288 3.132 10 0 GGAELP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000459491749 567629821 /nfs/dbraw/zinc/62/98/21/567629821.db2.gz VGTWQXBZGMZHGU-HNNXBMFYSA-N 2 2 395.288 3.132 10 0 GGAELP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000459491749 567629828 /nfs/dbraw/zinc/62/98/28/567629828.db2.gz VGTWQXBZGMZHGU-HNNXBMFYSA-N 2 2 395.288 3.132 10 0 GGAELP Cc1cc(Br)cc(C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665601277 567630530 /nfs/dbraw/zinc/63/05/30/567630530.db2.gz UGHVLFZNSIMGDZ-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP Cc1cc(Br)cc(C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665601277 567630534 /nfs/dbraw/zinc/63/05/34/567630534.db2.gz UGHVLFZNSIMGDZ-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP CCOc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550644 567635140 /nfs/dbraw/zinc/63/51/40/567635140.db2.gz KKHXLWMFJHXOHO-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550644 567635146 /nfs/dbraw/zinc/63/51/46/567635146.db2.gz KKHXLWMFJHXOHO-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550644 567635150 /nfs/dbraw/zinc/63/51/50/567635150.db2.gz KKHXLWMFJHXOHO-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550644 567635158 /nfs/dbraw/zinc/63/51/58/567635158.db2.gz KKHXLWMFJHXOHO-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550643 567636030 /nfs/dbraw/zinc/63/60/30/567636030.db2.gz KKHXLWMFJHXOHO-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550643 567636035 /nfs/dbraw/zinc/63/60/35/567636035.db2.gz KKHXLWMFJHXOHO-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550643 567636039 /nfs/dbraw/zinc/63/60/39/567636039.db2.gz KKHXLWMFJHXOHO-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(Br)c1O ZINC000459550643 567636040 /nfs/dbraw/zinc/63/60/40/567636040.db2.gz KKHXLWMFJHXOHO-HOCLYGCPSA-N 2 2 383.330 3.470 10 0 GGAELP Brc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000506954279 567651173 /nfs/dbraw/zinc/65/11/73/567651173.db2.gz KDHZLWFAMUQSTM-UHFFFAOYSA-N 2 2 398.308 3.352 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705949 567674539 /nfs/dbraw/zinc/67/45/39/567674539.db2.gz DZBFKBPPKHUTOO-JSGCOSHPSA-N 2 2 388.375 3.104 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(Cl)c1Br ZINC000666880584 567710417 /nfs/dbraw/zinc/71/04/17/567710417.db2.gz CKXOYMBSHRSQBP-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(Cl)c1Br ZINC000666880584 567710420 /nfs/dbraw/zinc/71/04/20/567710420.db2.gz CKXOYMBSHRSQBP-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443576 567710633 /nfs/dbraw/zinc/71/06/33/567710633.db2.gz FUNBZHMJINNABR-AWEZNQCLSA-N 2 2 378.318 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)CC1(C)C ZINC000623443576 567710634 /nfs/dbraw/zinc/71/06/34/567710634.db2.gz FUNBZHMJINNABR-AWEZNQCLSA-N 2 2 378.318 3.197 10 0 GGAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508804 567717282 /nfs/dbraw/zinc/71/72/82/567717282.db2.gz JGULOSDAGMRZDS-GDBMZVCRSA-N 2 2 380.330 3.017 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508804 567717287 /nfs/dbraw/zinc/71/72/87/567717287.db2.gz JGULOSDAGMRZDS-GDBMZVCRSA-N 2 2 380.330 3.017 10 0 GGAELP OC[C@@]1([NH2+]Cc2cccc3[nH+]ccn32)CCc2cc(Br)ccc2C1 ZINC000623645335 567727877 /nfs/dbraw/zinc/72/78/77/567727877.db2.gz YAJZRTUPSQDJHU-LJQANCHMSA-N 2 2 386.293 3.106 10 0 GGAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000623883797 567744321 /nfs/dbraw/zinc/74/43/21/567744321.db2.gz MEDOSGHJHANJMD-CRAIPNDOSA-N 2 2 396.373 3.351 10 0 GGAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000623883797 567744327 /nfs/dbraw/zinc/74/43/27/567744327.db2.gz MEDOSGHJHANJMD-CRAIPNDOSA-N 2 2 396.373 3.351 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000623897155 567745654 /nfs/dbraw/zinc/74/56/54/567745654.db2.gz HSCWCSQEZJYMDR-QWHCGFSZSA-N 2 2 379.854 3.243 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000623991865 567751622 /nfs/dbraw/zinc/75/16/22/567751622.db2.gz SWDFQRILVKMWAY-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000623991865 567751626 /nfs/dbraw/zinc/75/16/26/567751626.db2.gz SWDFQRILVKMWAY-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000623991994 567751979 /nfs/dbraw/zinc/75/19/79/567751979.db2.gz YOTLCSLFMXKWCH-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000623991994 567751984 /nfs/dbraw/zinc/75/19/84/567751984.db2.gz YOTLCSLFMXKWCH-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000623991569 567752161 /nfs/dbraw/zinc/75/21/61/567752161.db2.gz KRBOJTDRBLWADK-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000623991569 567752164 /nfs/dbraw/zinc/75/21/64/567752164.db2.gz KRBOJTDRBLWADK-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000623991867 567752239 /nfs/dbraw/zinc/75/22/39/567752239.db2.gz SWDFQRILVKMWAY-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000623991867 567752245 /nfs/dbraw/zinc/75/22/45/567752245.db2.gz SWDFQRILVKMWAY-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000623991567 567752365 /nfs/dbraw/zinc/75/23/65/567752365.db2.gz KRBOJTDRBLWADK-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000623991567 567752370 /nfs/dbraw/zinc/75/23/70/567752370.db2.gz KRBOJTDRBLWADK-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000623991570 567752397 /nfs/dbraw/zinc/75/23/97/567752397.db2.gz KRBOJTDRBLWADK-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000623991570 567752403 /nfs/dbraw/zinc/75/24/03/567752403.db2.gz KRBOJTDRBLWADK-TZMCWYRMSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000623991864 567752675 /nfs/dbraw/zinc/75/26/75/567752675.db2.gz SWDFQRILVKMWAY-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000623991864 567752681 /nfs/dbraw/zinc/75/26/81/567752681.db2.gz SWDFQRILVKMWAY-GXTWGEPZSA-N 2 2 379.854 3.121 10 0 GGAELP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443512295 567764086 /nfs/dbraw/zinc/76/40/86/567764086.db2.gz VOFNSRXBCQGQNE-GFCCVEGCSA-N 2 2 382.277 3.029 10 0 GGAELP Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399938 567776550 /nfs/dbraw/zinc/77/65/50/567776550.db2.gz HBEORRBVSRUIHH-GOSISDBHSA-N 2 2 375.314 3.415 10 0 GGAELP Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399938 567776554 /nfs/dbraw/zinc/77/65/54/567776554.db2.gz HBEORRBVSRUIHH-GOSISDBHSA-N 2 2 375.314 3.415 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480664 567788119 /nfs/dbraw/zinc/78/81/19/567788119.db2.gz XCGIBTILENSPNF-HOCLYGCPSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480664 567788123 /nfs/dbraw/zinc/78/81/23/567788123.db2.gz XCGIBTILENSPNF-HOCLYGCPSA-N 2 2 381.314 3.184 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c[nH+]c12 ZINC000647479704 567788539 /nfs/dbraw/zinc/78/85/39/567788539.db2.gz QJFVHSZUTRYYSE-WMLDXEAASA-N 2 2 377.330 3.369 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480662 567788584 /nfs/dbraw/zinc/78/85/84/567788584.db2.gz XCGIBTILENSPNF-GDBMZVCRSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480662 567788589 /nfs/dbraw/zinc/78/85/89/567788589.db2.gz XCGIBTILENSPNF-GDBMZVCRSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553791 567790516 /nfs/dbraw/zinc/79/05/16/567790516.db2.gz JPPFCTABFDOZGR-INIZCTEOSA-N 2 2 381.314 3.375 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901566 567805718 /nfs/dbraw/zinc/80/57/18/567805718.db2.gz QMRRCTUNPYPYAC-ZFWWWQNUSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901566 567805721 /nfs/dbraw/zinc/80/57/21/567805721.db2.gz QMRRCTUNPYPYAC-ZFWWWQNUSA-N 2 2 383.330 3.430 10 0 GGAELP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668295392 567806083 /nfs/dbraw/zinc/80/60/83/567806083.db2.gz QNQKNUFOSMYJJP-JGZJWPJOSA-N 2 2 392.135 3.347 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899590 567806175 /nfs/dbraw/zinc/80/61/75/567806175.db2.gz PWZDEMOWVGFWME-JKIFEVAISA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899590 567806176 /nfs/dbraw/zinc/80/61/76/567806176.db2.gz PWZDEMOWVGFWME-JKIFEVAISA-N 2 2 380.330 3.240 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCC[NH+]1CCC1 ZINC000575072061 567811546 /nfs/dbraw/zinc/81/15/46/567811546.db2.gz PFTUBXQSDMUORL-UHFFFAOYSA-N 2 2 377.330 3.437 10 0 GGAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022936961 570338678 /nfs/dbraw/zinc/33/86/78/570338678.db2.gz UWYHFPGNBRFKFI-IBGZPJMESA-N 2 2 378.480 3.029 10 0 GGAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000022936961 570338679 /nfs/dbraw/zinc/33/86/79/570338679.db2.gz UWYHFPGNBRFKFI-IBGZPJMESA-N 2 2 378.480 3.029 10 0 GGAELP CC(=O)c1cccc(NC(=O)[C@H]([NH2+]CCCn2cc[nH+]c2)c2ccccc2)c1 ZINC000033040205 570679182 /nfs/dbraw/zinc/67/91/82/570679182.db2.gz BXCMFGLYXFNGME-OAQYLSRUSA-N 2 2 376.460 3.445 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)[nH+]c2c1 ZINC000033070804 570802452 /nfs/dbraw/zinc/80/24/52/570802452.db2.gz COKITZUMKFZOCR-SFHVURJKSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)[nH+]c2c1 ZINC000033070804 570802455 /nfs/dbraw/zinc/80/24/55/570802455.db2.gz COKITZUMKFZOCR-SFHVURJKSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000033070804 570802457 /nfs/dbraw/zinc/80/24/57/570802457.db2.gz COKITZUMKFZOCR-SFHVURJKSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000033070804 570802458 /nfs/dbraw/zinc/80/24/58/570802458.db2.gz COKITZUMKFZOCR-SFHVURJKSA-N 2 2 397.567 3.468 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)[nH+]c2c1 ZINC000033070817 570802500 /nfs/dbraw/zinc/80/25/00/570802500.db2.gz MFHSFQCEDCKYBA-QGZVFWFLSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)[nH+]c2c1 ZINC000033070817 570802503 /nfs/dbraw/zinc/80/25/03/570802503.db2.gz MFHSFQCEDCKYBA-QGZVFWFLSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCC[N@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000033070817 570802505 /nfs/dbraw/zinc/80/25/05/570802505.db2.gz MFHSFQCEDCKYBA-QGZVFWFLSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@H]4C)CC3)[nH]c2c1 ZINC000033070817 570802509 /nfs/dbraw/zinc/80/25/09/570802509.db2.gz MFHSFQCEDCKYBA-QGZVFWFLSA-N 2 2 383.540 3.078 10 0 GGAELP C[N@H+](CCNC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)C1CCCCC1 ZINC000033071877 570802929 /nfs/dbraw/zinc/80/29/29/570802929.db2.gz KVSQQHOTIMJDHK-KRWDZBQOSA-N 2 2 383.540 3.160 10 0 GGAELP C[N@@H+](CCNC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)C1CCCCC1 ZINC000033071877 570802932 /nfs/dbraw/zinc/80/29/32/570802932.db2.gz KVSQQHOTIMJDHK-KRWDZBQOSA-N 2 2 383.540 3.160 10 0 GGAELP C[N@H+](CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)C1CCCCC1 ZINC000033071874 570802962 /nfs/dbraw/zinc/80/29/62/570802962.db2.gz KVSQQHOTIMJDHK-QGZVFWFLSA-N 2 2 383.540 3.160 10 0 GGAELP C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)C1CCCCC1 ZINC000033071874 570802965 /nfs/dbraw/zinc/80/29/65/570802965.db2.gz KVSQQHOTIMJDHK-QGZVFWFLSA-N 2 2 383.540 3.160 10 0 GGAELP C[N@H+](CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)Cc1ccccc1 ZINC000033071811 570802992 /nfs/dbraw/zinc/80/29/92/570802992.db2.gz BEUPGVJRELHVPN-LJQANCHMSA-N 2 2 391.519 3.028 10 0 GGAELP C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)Cc1ccccc1 ZINC000033071811 570802996 /nfs/dbraw/zinc/80/29/96/570802996.db2.gz BEUPGVJRELHVPN-LJQANCHMSA-N 2 2 391.519 3.028 10 0 GGAELP Cc1nc(COc2ccc(C[NH2+]Cc3ccc(Cn4cc[nH+]c4)cc3)cc2)no1 ZINC000165105453 570813351 /nfs/dbraw/zinc/81/33/51/570813351.db2.gz BAGMRLDEICRXKY-UHFFFAOYSA-N 2 2 389.459 3.492 10 0 GGAELP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000170615868 570873408 /nfs/dbraw/zinc/87/34/08/570873408.db2.gz ICACSGIKIKKWSI-ROUUACIJSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000170615868 570873410 /nfs/dbraw/zinc/87/34/10/570873410.db2.gz ICACSGIKIKKWSI-ROUUACIJSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000045844736 570998313 /nfs/dbraw/zinc/99/83/13/570998313.db2.gz MIRPBTZYLKAUNY-UHFFFAOYSA-N 2 2 399.564 3.161 10 0 GGAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000045844736 570998318 /nfs/dbraw/zinc/99/83/18/570998318.db2.gz MIRPBTZYLKAUNY-UHFFFAOYSA-N 2 2 399.564 3.161 10 0 GGAELP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000048744841 1405278571 /nfs/dbraw/zinc/27/85/71/1405278571.db2.gz DTBZCRNJPBKFCU-KRWDZBQOSA-N 2 2 390.487 3.381 10 0 GGAELP CCCOc1c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cccc1OCC ZINC000066877056 1408939558 /nfs/dbraw/zinc/93/95/58/1408939558.db2.gz BKZKWGLGTVPCAT-UHFFFAOYSA-N 2 2 398.551 3.311 10 0 GGAELP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4ccsc4)n3)cn2)CC1 ZINC000067186793 1409036119 /nfs/dbraw/zinc/03/61/19/1409036119.db2.gz AJTRTDSKMKIREB-UHFFFAOYSA-N 2 2 385.562 3.308 10 0 GGAELP c1ccc(N2CCOCC2)c(C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000069878094 1409720167 /nfs/dbraw/zinc/72/01/67/1409720167.db2.gz CDFXCWKTVACZTB-UHFFFAOYSA-N 2 2 389.609 3.365 10 0 GGAELP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000098170602 1410435319 /nfs/dbraw/zinc/43/53/19/1410435319.db2.gz GPZMEUNXXDLHFX-UHFFFAOYSA-N 2 2 397.954 3.415 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108902668 1411636441 /nfs/dbraw/zinc/63/64/41/1411636441.db2.gz DNBNNEJLJYWHIN-DHIUTWEWSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108902668 1411636451 /nfs/dbraw/zinc/63/64/51/1411636451.db2.gz DNBNNEJLJYWHIN-DHIUTWEWSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1[nH+]cc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037445 1413663293 /nfs/dbraw/zinc/66/32/93/1413663293.db2.gz DMVRWKVDHBQZOH-JOCHJYFZSA-N 2 2 389.503 3.243 10 0 GGAELP Cc1[nH+]cc(CNc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)n1-c1ccccc1 ZINC000120037445 1413663299 /nfs/dbraw/zinc/66/32/99/1413663299.db2.gz DMVRWKVDHBQZOH-JOCHJYFZSA-N 2 2 389.503 3.243 10 0 GGAELP COc1ccc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128997738 1416122125 /nfs/dbraw/zinc/12/21/25/1416122125.db2.gz CZPKAKNURZXYHW-OALUTQOASA-N 2 2 397.357 3.315 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129442458 1416210166 /nfs/dbraw/zinc/21/01/66/1416210166.db2.gz BDOHURDCXPATKE-DYVFJYSZSA-N 2 2 398.404 3.240 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129442458 1416210170 /nfs/dbraw/zinc/21/01/70/1416210170.db2.gz BDOHURDCXPATKE-DYVFJYSZSA-N 2 2 398.404 3.240 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129460512 1416213344 /nfs/dbraw/zinc/21/33/44/1416213344.db2.gz ATRXPYDRROUYMO-UWVAXJGDSA-N 2 2 398.507 3.358 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129460512 1416213347 /nfs/dbraw/zinc/21/33/47/1416213347.db2.gz ATRXPYDRROUYMO-UWVAXJGDSA-N 2 2 398.507 3.358 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129559111 1416228362 /nfs/dbraw/zinc/22/83/62/1416228362.db2.gz HNTKVMPZFJGQKY-NQIIRXRSSA-N 2 2 381.524 3.395 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129559111 1416228368 /nfs/dbraw/zinc/22/83/68/1416228368.db2.gz HNTKVMPZFJGQKY-NQIIRXRSSA-N 2 2 381.524 3.395 10 0 GGAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129743187 1416256923 /nfs/dbraw/zinc/25/69/23/1416256923.db2.gz CTHLQZJYNFRUSE-RYRKJORJSA-N 2 2 397.548 3.423 10 0 GGAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129743187 1416256926 /nfs/dbraw/zinc/25/69/26/1416256926.db2.gz CTHLQZJYNFRUSE-RYRKJORJSA-N 2 2 397.548 3.423 10 0 GGAELP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000131077275 1416505329 /nfs/dbraw/zinc/50/53/29/1416505329.db2.gz BFFIAQYLWLAGID-INIZCTEOSA-N 2 2 385.508 3.423 10 0 GGAELP CC(C)c1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000131694346 1416598899 /nfs/dbraw/zinc/59/88/99/1416598899.db2.gz GKBUUXDKEOXZNF-UHFFFAOYSA-N 2 2 375.538 3.267 10 0 GGAELP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(OCC2CC2)c(F)c1 ZINC000134412706 1417066664 /nfs/dbraw/zinc/06/66/64/1417066664.db2.gz DGQXHNDYCWVZBJ-INIZCTEOSA-N 2 2 399.514 3.007 10 0 GGAELP CCOc1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559505 1417326163 /nfs/dbraw/zinc/32/61/63/1417326163.db2.gz BITAHNLNAUQTCO-RTWAWAEBSA-N 2 2 392.588 3.104 10 0 GGAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136602996 1417331185 /nfs/dbraw/zinc/33/11/85/1417331185.db2.gz COOCPPGICTUHRN-SFTDATJTSA-N 2 2 388.943 3.383 10 0 GGAELP CN(C(=O)[C@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178878660 1429207750 /nfs/dbraw/zinc/20/77/50/1429207750.db2.gz CNDONKNTIJRKCS-FCEUIQTBSA-N 2 2 399.579 3.033 10 0 GGAELP CN(C(=O)[C@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178878660 1429207760 /nfs/dbraw/zinc/20/77/60/1429207760.db2.gz CNDONKNTIJRKCS-FCEUIQTBSA-N 2 2 399.579 3.033 10 0 GGAELP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000151538294 1418017702 /nfs/dbraw/zinc/01/77/02/1418017702.db2.gz DIIHPKARCLJWJO-NRFANRHFSA-N 2 2 393.531 3.097 10 0 GGAELP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151558837 1418023685 /nfs/dbraw/zinc/02/36/85/1418023685.db2.gz FBDINENEIWAQNE-RTWAWAEBSA-N 2 2 380.492 3.081 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000152153743 1418158936 /nfs/dbraw/zinc/15/89/36/1418158936.db2.gz DRIIKCIKCZEXHF-HXUWFJFHSA-N 2 2 392.507 3.237 10 0 GGAELP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152968527 1422311155 /nfs/dbraw/zinc/31/11/55/1422311155.db2.gz FXBAXYUMKZMSBG-GOSISDBHSA-N 2 2 385.851 3.120 10 0 GGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000154299131 1422868967 /nfs/dbraw/zinc/86/89/67/1422868967.db2.gz BJTYYFOSDPGHJC-SEIRJHJZSA-N 2 2 395.551 3.386 10 0 GGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000154299131 1422868969 /nfs/dbraw/zinc/86/89/69/1422868969.db2.gz BJTYYFOSDPGHJC-SEIRJHJZSA-N 2 2 395.551 3.386 10 0 GGAELP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000156273641 1423752943 /nfs/dbraw/zinc/75/29/43/1423752943.db2.gz HCNKJUIVBDEFJM-UHFFFAOYSA-N 2 2 381.480 3.217 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000164758159 1425139907 /nfs/dbraw/zinc/13/99/07/1425139907.db2.gz IBYIPPAROZOVNW-JCGIZDLHSA-N 2 2 386.883 3.060 10 0 GGAELP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)C2=O)cc1Cl ZINC000164758159 1425139910 /nfs/dbraw/zinc/13/99/10/1425139910.db2.gz IBYIPPAROZOVNW-JCGIZDLHSA-N 2 2 386.883 3.060 10 0 GGAELP O=C(NC[C@@H]1CCCO1)c1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000166066929 1425205567 /nfs/dbraw/zinc/20/55/67/1425205567.db2.gz ABBHYLDKOGGCHG-QFIPXVFZSA-N 2 2 390.487 3.071 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182238500 1430434977 /nfs/dbraw/zinc/43/49/77/1430434977.db2.gz ATUPIBUJOKHZBS-GOSISDBHSA-N 2 2 390.890 3.273 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000186309742 1431378637 /nfs/dbraw/zinc/37/86/37/1431378637.db2.gz FTELLUDKBQHXNG-KRWDZBQOSA-N 2 2 384.524 3.261 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000186309742 1431378642 /nfs/dbraw/zinc/37/86/42/1431378642.db2.gz FTELLUDKBQHXNG-KRWDZBQOSA-N 2 2 384.524 3.261 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000186396834 1431400444 /nfs/dbraw/zinc/40/04/44/1431400444.db2.gz DMCRVFCUNYXILD-UHFFFAOYSA-N 2 2 384.524 3.119 10 0 GGAELP COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000237261718 1433394765 /nfs/dbraw/zinc/39/47/65/1433394765.db2.gz GOGRHACESMCQAL-YADHBBJMSA-N 2 2 393.531 3.053 10 0 GGAELP FC(F)Oc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000237881715 1433431045 /nfs/dbraw/zinc/43/10/45/1433431045.db2.gz DSVUHJFQHDMIHP-UHFFFAOYSA-N 2 2 392.446 3.289 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000245561844 1433485455 /nfs/dbraw/zinc/48/54/55/1433485455.db2.gz CIMFADQUIBKWON-BSLALVQMSA-N 2 2 382.508 3.042 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000245561844 1433485456 /nfs/dbraw/zinc/48/54/56/1433485456.db2.gz CIMFADQUIBKWON-BSLALVQMSA-N 2 2 382.508 3.042 10 0 GGAELP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246409156 1433608682 /nfs/dbraw/zinc/60/86/82/1433608682.db2.gz BYCSFFDNQWZEDF-MAODMQOUSA-N 2 2 388.471 3.251 10 0 GGAELP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246409156 1433608686 /nfs/dbraw/zinc/60/86/86/1433608686.db2.gz BYCSFFDNQWZEDF-MAODMQOUSA-N 2 2 388.471 3.251 10 0 GGAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000247268348 1433698576 /nfs/dbraw/zinc/69/85/76/1433698576.db2.gz GQOOBVDTDLJVMK-WBVHZDCISA-N 2 2 383.521 3.429 10 0 GGAELP CCN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1nc2ccccc2s1 ZINC000247268348 1433698581 /nfs/dbraw/zinc/69/85/81/1433698581.db2.gz GQOOBVDTDLJVMK-WBVHZDCISA-N 2 2 383.521 3.429 10 0 GGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798780 1435093381 /nfs/dbraw/zinc/09/33/81/1435093381.db2.gz DWVRKWLXKBWVKO-GHTZIAJQSA-N 2 2 395.551 3.437 10 0 GGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccnn1C1CCCC1 ZINC000274798780 1435093384 /nfs/dbraw/zinc/09/33/84/1435093384.db2.gz DWVRKWLXKBWVKO-GHTZIAJQSA-N 2 2 395.551 3.437 10 0 GGAELP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000275200385 1435122491 /nfs/dbraw/zinc/12/24/91/1435122491.db2.gz GRXXLCQUKBJKBS-MAUKXSAKSA-N 2 2 396.938 3.209 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cnn(C)c1 ZINC000328629054 206234431 /nfs/dbraw/zinc/23/44/31/206234431.db2.gz HWBOBFPABXXUKT-OVYPOVDJSA-N 2 2 388.581 3.063 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cnn(C)c1 ZINC000328629054 206234434 /nfs/dbraw/zinc/23/44/34/206234434.db2.gz HWBOBFPABXXUKT-OVYPOVDJSA-N 2 2 388.581 3.063 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cnn(C)c1 ZINC000328629054 206234438 /nfs/dbraw/zinc/23/44/38/206234438.db2.gz HWBOBFPABXXUKT-OVYPOVDJSA-N 2 2 388.581 3.063 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)[C@@H]1c1cnn(C)c1 ZINC000328629054 206234441 /nfs/dbraw/zinc/23/44/41/206234441.db2.gz HWBOBFPABXXUKT-OVYPOVDJSA-N 2 2 388.581 3.063 10 0 GGAELP CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCCCn2cc[nH+]c2)Cc2c[nH]c3cccc1c23 ZINC000049171447 206264483 /nfs/dbraw/zinc/26/44/83/206264483.db2.gz DMVCPSZTPKRHEA-PMACEKPBSA-N 2 2 379.508 3.172 10 0 GGAELP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)O[C@@H](C)C2 ZINC000014115780 207010444 /nfs/dbraw/zinc/01/04/44/207010444.db2.gz PSANIQYRWNURTN-KRWDZBQOSA-N 2 2 382.504 3.141 10 0 GGAELP COc1cc2[nH+]cc(C(=O)c3ccccc3)c(N3CC[NH+](C)CC3)c2cc1OC ZINC000021522498 207230113 /nfs/dbraw/zinc/23/01/13/207230113.db2.gz VIXKABQAFZDVFO-UHFFFAOYSA-N 2 2 391.471 3.235 10 0 GGAELP Cc1[nH+]c2ccc(Cl)cn2c1CN1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000023379527 207276976 /nfs/dbraw/zinc/27/69/76/207276976.db2.gz UWGOKYMQDWFJRM-IEBWSBKVSA-N 2 2 376.932 3.107 10 0 GGAELP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC[NH+](CCCn4cccn4)C3)C2)c1 ZINC000023479124 207278820 /nfs/dbraw/zinc/27/88/20/207278820.db2.gz HMCIODWEOCNLQF-JOCHJYFZSA-N 2 2 386.515 3.409 10 0 GGAELP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CC[NH+](CCCn4cccn4)C3)C2)c1 ZINC000023479124 207278823 /nfs/dbraw/zinc/27/88/23/207278823.db2.gz HMCIODWEOCNLQF-JOCHJYFZSA-N 2 2 386.515 3.409 10 0 GGAELP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@H+](CCCn4cccn4)C3)C2)c1 ZINC000023479124 207278826 /nfs/dbraw/zinc/27/88/26/207278826.db2.gz HMCIODWEOCNLQF-JOCHJYFZSA-N 2 2 386.515 3.409 10 0 GGAELP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@@H+](CCCn4cccn4)C3)C2)c1 ZINC000023479124 207278828 /nfs/dbraw/zinc/27/88/28/207278828.db2.gz HMCIODWEOCNLQF-JOCHJYFZSA-N 2 2 386.515 3.409 10 0 GGAELP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000095986461 208247775 /nfs/dbraw/zinc/24/77/75/208247775.db2.gz SJRQXUMPXCMFDE-YLJYHZDGSA-N 2 2 383.517 3.156 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000241590532 209019179 /nfs/dbraw/zinc/01/91/79/209019179.db2.gz PFOPCHLPKUBFQB-JKSUJKDBSA-N 2 2 378.517 3.190 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000241590532 209019180 /nfs/dbraw/zinc/01/91/80/209019180.db2.gz PFOPCHLPKUBFQB-JKSUJKDBSA-N 2 2 378.517 3.190 10 0 GGAELP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058407477 136155355 /nfs/dbraw/zinc/15/53/55/136155355.db2.gz NESUSEXICDHCRU-HXUWFJFHSA-N 2 2 384.568 3.459 10 0 GGAELP CCCc1nc(N2CCC([N@@H+]3CC[C@](O)(c4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000095369610 136178433 /nfs/dbraw/zinc/17/84/33/136178433.db2.gz OHYVRWLSFNIHLA-HSZRJFAPSA-N 2 2 380.536 3.300 10 0 GGAELP CCCc1nc(N2CCC([N@H+]3CC[C@](O)(c4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000095369610 136178434 /nfs/dbraw/zinc/17/84/34/136178434.db2.gz OHYVRWLSFNIHLA-HSZRJFAPSA-N 2 2 380.536 3.300 10 0 GGAELP Cc1cc(C[NH2+]C2CCN(c3nccc(-c4ccc(C)[nH+]c4C)n3)CC2)no1 ZINC000095519415 136181055 /nfs/dbraw/zinc/18/10/55/136181055.db2.gz QBVOHDXWUUCVQR-UHFFFAOYSA-N 2 2 378.480 3.210 10 0 GGAELP C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000234323322 565935705 /nfs/dbraw/zinc/93/57/05/565935705.db2.gz HXVOWCCWBREOLL-JTQLQIEISA-N 2 2 392.135 3.301 10 0 GGAELP C[N@H+](Cc1cc(Br)c(O)c(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000234323322 565935708 /nfs/dbraw/zinc/93/57/08/565935708.db2.gz HXVOWCCWBREOLL-JTQLQIEISA-N 2 2 392.135 3.301 10 0 GGAELP C[NH+](Cc1cc(Br)c(O)c(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000234323322 565935712 /nfs/dbraw/zinc/93/57/12/565935712.db2.gz HXVOWCCWBREOLL-JTQLQIEISA-N 2 2 392.135 3.301 10 0 GGAELP C[NH+](Cc1cc(Br)c(O)c(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000234323322 565935715 /nfs/dbraw/zinc/93/57/15/565935715.db2.gz HXVOWCCWBREOLL-JTQLQIEISA-N 2 2 392.135 3.301 10 0 GGAELP C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000234350625 565934870 /nfs/dbraw/zinc/93/48/70/565934870.db2.gz HXVOWCCWBREOLL-SNVBAGLBSA-N 2 2 392.135 3.301 10 0 GGAELP C[N@H+](Cc1cc(Br)c(O)c(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000234350625 565934876 /nfs/dbraw/zinc/93/48/76/565934876.db2.gz HXVOWCCWBREOLL-SNVBAGLBSA-N 2 2 392.135 3.301 10 0 GGAELP C[NH+](Cc1cc(Br)c(O)c(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000234350625 565934883 /nfs/dbraw/zinc/93/48/83/565934883.db2.gz HXVOWCCWBREOLL-SNVBAGLBSA-N 2 2 392.135 3.301 10 0 GGAELP C[NH+](Cc1cc(Br)c(O)c(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000234350625 565934890 /nfs/dbraw/zinc/93/48/90/565934890.db2.gz HXVOWCCWBREOLL-SNVBAGLBSA-N 2 2 392.135 3.301 10 0 GGAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817449 564428982 /nfs/dbraw/zinc/42/89/82/564428982.db2.gz UISPBBRWMDFZRV-KRWDZBQOSA-N 2 2 376.595 3.474 10 0 GGAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000122817449 564428984 /nfs/dbraw/zinc/42/89/84/564428984.db2.gz UISPBBRWMDFZRV-KRWDZBQOSA-N 2 2 376.595 3.474 10 0 GGAELP C[C@@H](CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000123634462 564456348 /nfs/dbraw/zinc/45/63/48/564456348.db2.gz QAHRYYLIELPDDX-HNNXBMFYSA-N 2 2 396.373 3.085 10 0 GGAELP C[C@H](NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123967099 564467605 /nfs/dbraw/zinc/46/76/05/564467605.db2.gz LRRCCWKAEWQCCJ-KEYYUXOJSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123967099 564467607 /nfs/dbraw/zinc/46/76/07/564467607.db2.gz LRRCCWKAEWQCCJ-KEYYUXOJSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123967099 564467613 /nfs/dbraw/zinc/46/76/13/564467613.db2.gz LRRCCWKAEWQCCJ-KEYYUXOJSA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123967099 564467618 /nfs/dbraw/zinc/46/76/18/564467618.db2.gz LRRCCWKAEWQCCJ-KEYYUXOJSA-N 2 2 382.346 3.041 10 0 GGAELP O=C(C[N@@H+]1CCCSCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000129274170 564643243 /nfs/dbraw/zinc/64/32/43/564643243.db2.gz HEICOELSRBPLIS-GOSISDBHSA-N 2 2 381.973 3.032 10 0 GGAELP O=C(C[N@H+]1CCCSCC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000129274170 564643245 /nfs/dbraw/zinc/64/32/45/564643245.db2.gz HEICOELSRBPLIS-GOSISDBHSA-N 2 2 381.973 3.032 10 0 GGAELP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522884 564649514 /nfs/dbraw/zinc/64/95/14/564649514.db2.gz AQNRHKKQULMRBD-AWEZNQCLSA-N 2 2 382.346 3.440 10 0 GGAELP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522887 564649546 /nfs/dbraw/zinc/64/95/46/564649546.db2.gz AQNRHKKQULMRBD-CQSZACIVSA-N 2 2 382.346 3.440 10 0 GGAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135293290 564827121 /nfs/dbraw/zinc/82/71/21/564827121.db2.gz KVZCYBCYKUYHTI-JTQLQIEISA-N 2 2 377.124 3.038 10 0 GGAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135293290 564827118 /nfs/dbraw/zinc/82/71/18/564827118.db2.gz KVZCYBCYKUYHTI-JTQLQIEISA-N 2 2 377.124 3.038 10 0 GGAELP Brc1ccc2ncc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812449 564880433 /nfs/dbraw/zinc/88/04/33/564880433.db2.gz SBKDOSSQXWRAOD-AWEZNQCLSA-N 2 2 386.297 3.426 10 0 GGAELP Brc1ccc2ncc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)n2c1 ZINC000092812449 564880438 /nfs/dbraw/zinc/88/04/38/564880438.db2.gz SBKDOSSQXWRAOD-AWEZNQCLSA-N 2 2 386.297 3.426 10 0 GGAELP O[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCCCC1 ZINC000151281079 564913458 /nfs/dbraw/zinc/91/34/58/564913458.db2.gz BTENYRKOSHBBTK-YOEHRIQHSA-N 2 2 383.330 3.099 10 0 GGAELP O[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151304093 564914684 /nfs/dbraw/zinc/91/46/84/564914684.db2.gz XVTFZJNHDBJLEB-ZBFHGGJFSA-N 2 2 385.371 3.422 10 0 GGAELP O[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323427 564915138 /nfs/dbraw/zinc/91/51/38/564915138.db2.gz QXKBKQZDSBJGBK-NVXWUHKLSA-N 2 2 383.330 3.099 10 0 GGAELP O[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCCCC1 ZINC000151323308 564915164 /nfs/dbraw/zinc/91/51/64/564915164.db2.gz QXKBKQZDSBJGBK-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP C[NH+](C)C1CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000153737059 565008020 /nfs/dbraw/zinc/00/80/20/565008020.db2.gz ZJJUTYSIROFGBY-UHFFFAOYSA-N 2 2 375.314 3.432 10 0 GGAELP C[N@H+](Cc1cccc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155110565 565062336 /nfs/dbraw/zinc/06/23/36/565062336.db2.gz WSBNWXJJBYJYEA-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP C[N@@H+](Cc1cccc(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000155110565 565062338 /nfs/dbraw/zinc/06/23/38/565062338.db2.gz WSBNWXJJBYJYEA-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295497 565065671 /nfs/dbraw/zinc/06/56/71/565065671.db2.gz HPJJQZPTEJJKQK-QWHCGFSZSA-N 2 2 388.375 3.104 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)s1 ZINC000155295497 565065673 /nfs/dbraw/zinc/06/56/73/565065673.db2.gz HPJJQZPTEJJKQK-QWHCGFSZSA-N 2 2 388.375 3.104 10 0 GGAELP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266805031 565091554 /nfs/dbraw/zinc/09/15/54/565091554.db2.gz ZSQLDMBXXUJEDH-UHFFFAOYSA-N 2 2 397.342 3.072 10 0 GGAELP C[C@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(Br)cc1F ZINC000292670919 565128224 /nfs/dbraw/zinc/12/82/24/565128224.db2.gz BDVVXFYGWVOBHM-KRWDZBQOSA-N 2 2 382.277 3.398 10 0 GGAELP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000184541674 565142419 /nfs/dbraw/zinc/14/24/19/565142419.db2.gz YVVJWYKQKWVUSF-UHFFFAOYSA-N 2 2 384.779 3.013 10 0 GGAELP C[C@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836402 565185862 /nfs/dbraw/zinc/18/58/62/565185862.db2.gz QECSLLIXUWWOFC-PXAZEXFGSA-N 2 2 382.277 3.398 10 0 GGAELP C[C@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836402 565185865 /nfs/dbraw/zinc/18/58/65/565185865.db2.gz QECSLLIXUWWOFC-PXAZEXFGSA-N 2 2 382.277 3.398 10 0 GGAELP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183981 565245259 /nfs/dbraw/zinc/24/52/59/565245259.db2.gz IRXFUFFGOFDQPR-KSSFIOAISA-N 2 2 375.314 3.260 10 0 GGAELP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183981 565245266 /nfs/dbraw/zinc/24/52/66/565245266.db2.gz IRXFUFFGOFDQPR-KSSFIOAISA-N 2 2 375.314 3.260 10 0 GGAELP CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372907905 565260079 /nfs/dbraw/zinc/26/00/79/565260079.db2.gz BFNSVTYVFJXYFL-CQSZACIVSA-N 2 2 388.314 3.373 10 0 GGAELP CN(C(=O)c1c(Cl)cc(F)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372907905 565260081 /nfs/dbraw/zinc/26/00/81/565260081.db2.gz BFNSVTYVFJXYFL-CQSZACIVSA-N 2 2 388.314 3.373 10 0 GGAELP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199123 565325451 /nfs/dbraw/zinc/32/54/51/565325451.db2.gz WYBCYUUERJRZLR-UHFFFAOYSA-N 2 2 391.313 3.010 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000188399758 565398809 /nfs/dbraw/zinc/39/88/09/565398809.db2.gz BRFYPWOVZMLCHY-AWEZNQCLSA-N 2 2 380.286 3.327 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1OC ZINC000188399758 565398810 /nfs/dbraw/zinc/39/88/10/565398810.db2.gz BRFYPWOVZMLCHY-AWEZNQCLSA-N 2 2 380.286 3.327 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCCO2 ZINC000188410132 565400248 /nfs/dbraw/zinc/40/02/48/565400248.db2.gz ILYDVXJIMIDZTB-HNNXBMFYSA-N 2 2 392.297 3.472 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCCO2 ZINC000188410132 565400252 /nfs/dbraw/zinc/40/02/52/565400252.db2.gz ILYDVXJIMIDZTB-HNNXBMFYSA-N 2 2 392.297 3.472 10 0 GGAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cc1F ZINC000171388945 565429114 /nfs/dbraw/zinc/42/91/14/565429114.db2.gz CPSACPNXAJKEQR-UHFFFAOYSA-N 2 2 398.320 3.335 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171644826 565441821 /nfs/dbraw/zinc/44/18/21/565441821.db2.gz YUQAMVBKOZSVPD-AWEZNQCLSA-N 2 2 378.929 3.189 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171644826 565441825 /nfs/dbraw/zinc/44/18/25/565441825.db2.gz YUQAMVBKOZSVPD-AWEZNQCLSA-N 2 2 378.929 3.189 10 0 GGAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301129178 565466131 /nfs/dbraw/zinc/46/61/31/565466131.db2.gz QEJWPIMYWAIOLB-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301129178 565466135 /nfs/dbraw/zinc/46/61/35/565466135.db2.gz QEJWPIMYWAIOLB-UHFFFAOYSA-N 2 2 377.330 3.435 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799489 565500107 /nfs/dbraw/zinc/50/01/07/565500107.db2.gz VIELJCARBFOHFA-BXUZGUMPSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799489 565500112 /nfs/dbraw/zinc/50/01/12/565500112.db2.gz VIELJCARBFOHFA-BXUZGUMPSA-N 2 2 377.286 3.036 10 0 GGAELP CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190464338 565534808 /nfs/dbraw/zinc/53/48/08/565534808.db2.gz KUHLJJPOVOWBPB-CQSZACIVSA-N 2 2 381.977 3.355 10 0 GGAELP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190464338 565534815 /nfs/dbraw/zinc/53/48/15/565534815.db2.gz KUHLJJPOVOWBPB-CQSZACIVSA-N 2 2 381.977 3.355 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190464338 565534818 /nfs/dbraw/zinc/53/48/18/565534818.db2.gz KUHLJJPOVOWBPB-CQSZACIVSA-N 2 2 381.977 3.355 10 0 GGAELP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278383406 565555791 /nfs/dbraw/zinc/55/57/91/565555791.db2.gz LURZRAVUJSSVSR-UHFFFAOYSA-N 2 2 395.345 3.193 10 0 GGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580837 565567640 /nfs/dbraw/zinc/56/76/40/565567640.db2.gz YNIRIDSVEWWAQI-YOEHRIQHSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580837 565567644 /nfs/dbraw/zinc/56/76/44/565567644.db2.gz YNIRIDSVEWWAQI-YOEHRIQHSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710263 565574120 /nfs/dbraw/zinc/57/41/20/565574120.db2.gz KHXCKBVAJKUZAB-GOEBONIOSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710263 565574125 /nfs/dbraw/zinc/57/41/25/565574125.db2.gz KHXCKBVAJKUZAB-GOEBONIOSA-N 2 2 377.330 3.183 10 0 GGAELP CCCOc1c(Br)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000313250881 565584506 /nfs/dbraw/zinc/58/45/06/565584506.db2.gz DTJNJYHGGOPBDS-UHFFFAOYSA-N 2 2 382.302 3.312 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827374 565606603 /nfs/dbraw/zinc/60/66/03/565606603.db2.gz BQKYAKRTTIIXMK-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827374 565606608 /nfs/dbraw/zinc/60/66/08/565606608.db2.gz BQKYAKRTTIIXMK-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827374 565606613 /nfs/dbraw/zinc/60/66/13/565606613.db2.gz BQKYAKRTTIIXMK-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(Br)c1O ZINC000321827374 565606618 /nfs/dbraw/zinc/60/66/18/565606618.db2.gz BQKYAKRTTIIXMK-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770992 565657486 /nfs/dbraw/zinc/65/74/86/565657486.db2.gz RYIKSJHQBNTAKC-CZUORRHYSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770992 565657488 /nfs/dbraw/zinc/65/74/88/565657488.db2.gz RYIKSJHQBNTAKC-CZUORRHYSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770992 565657489 /nfs/dbraw/zinc/65/74/89/565657489.db2.gz RYIKSJHQBNTAKC-CZUORRHYSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770992 565657491 /nfs/dbraw/zinc/65/74/91/565657491.db2.gz RYIKSJHQBNTAKC-CZUORRHYSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770979 565657850 /nfs/dbraw/zinc/65/78/50/565657850.db2.gz RYIKSJHQBNTAKC-CJNGLKHVSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770979 565657855 /nfs/dbraw/zinc/65/78/55/565657855.db2.gz RYIKSJHQBNTAKC-CJNGLKHVSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770979 565657861 /nfs/dbraw/zinc/65/78/61/565657861.db2.gz RYIKSJHQBNTAKC-CJNGLKHVSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770979 565657865 /nfs/dbraw/zinc/65/78/65/565657865.db2.gz RYIKSJHQBNTAKC-CJNGLKHVSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000174781507 565658943 /nfs/dbraw/zinc/65/89/43/565658943.db2.gz OAIGBGSCBFVKRX-VKJFTORMSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000174781507 565658949 /nfs/dbraw/zinc/65/89/49/565658949.db2.gz OAIGBGSCBFVKRX-VKJFTORMSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000174781507 565658951 /nfs/dbraw/zinc/65/89/51/565658951.db2.gz OAIGBGSCBFVKRX-VKJFTORMSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@H](C)C1 ZINC000174781507 565658958 /nfs/dbraw/zinc/65/89/58/565658958.db2.gz OAIGBGSCBFVKRX-VKJFTORMSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729118 565720047 /nfs/dbraw/zinc/72/00/47/565720047.db2.gz VZCAKALRVKXAJY-VXGBXAGGSA-N 2 2 383.290 3.254 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729118 565720052 /nfs/dbraw/zinc/72/00/52/565720052.db2.gz VZCAKALRVKXAJY-VXGBXAGGSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729118 565720059 /nfs/dbraw/zinc/72/00/59/565720059.db2.gz VZCAKALRVKXAJY-VXGBXAGGSA-N 2 2 383.290 3.254 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(Br)o3)o2)[C@H](C)C1 ZINC000175729118 565720064 /nfs/dbraw/zinc/72/00/64/565720064.db2.gz VZCAKALRVKXAJY-VXGBXAGGSA-N 2 2 383.290 3.254 10 0 GGAELP CCN1CC[NH+](C[C@@H](C)CNc2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000413082114 565832917 /nfs/dbraw/zinc/83/29/17/565832917.db2.gz QJJIXMXRUMOWFA-HNNXBMFYSA-N 2 2 391.357 3.105 10 0 GGAELP Brc1ccc2c(cc[nH+]c2NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000413157641 565837119 /nfs/dbraw/zinc/83/71/19/565837119.db2.gz QOGZMHJRIGKFMQ-AWEZNQCLSA-N 2 2 390.325 3.332 10 0 GGAELP Brc1ccc2c(cc[nH+]c2N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000413176353 565838754 /nfs/dbraw/zinc/83/87/54/565838754.db2.gz RSHSWVGESCSLBG-CQSZACIVSA-N 2 2 376.298 3.156 10 0 GGAELP C[N@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177710702 565869162 /nfs/dbraw/zinc/86/91/62/565869162.db2.gz VKKAWTFPDWUSKA-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000177710702 565869167 /nfs/dbraw/zinc/86/91/67/565869167.db2.gz VKKAWTFPDWUSKA-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000195249198 565869697 /nfs/dbraw/zinc/86/96/97/565869697.db2.gz QCJWBHUMCXASTR-AWEZNQCLSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)s1 ZINC000195249198 565869700 /nfs/dbraw/zinc/86/97/00/565869700.db2.gz QCJWBHUMCXASTR-AWEZNQCLSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)s1 ZINC000195249198 565869702 /nfs/dbraw/zinc/86/97/02/565869702.db2.gz QCJWBHUMCXASTR-AWEZNQCLSA-N 2 2 379.551 3.254 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)s1 ZINC000195249198 565869703 /nfs/dbraw/zinc/86/97/03/565869703.db2.gz QCJWBHUMCXASTR-AWEZNQCLSA-N 2 2 379.551 3.254 10 0 GGAELP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000333647144 565890448 /nfs/dbraw/zinc/89/04/48/565890448.db2.gz JWZNBGOAMXVOPZ-QWHCGFSZSA-N 2 2 396.333 3.001 10 0 GGAELP Cc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[NH+](C)C)cc1 ZINC000414067207 565892379 /nfs/dbraw/zinc/89/23/79/565892379.db2.gz HUCAYGOYNNIRDO-MAUKXSAKSA-N 2 2 392.341 3.200 10 0 GGAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414106465 565895611 /nfs/dbraw/zinc/89/56/11/565895611.db2.gz RAJCBSJVQFHPAM-CVEARBPZSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000414106465 565895614 /nfs/dbraw/zinc/89/56/14/565895614.db2.gz RAJCBSJVQFHPAM-CVEARBPZSA-N 2 2 392.341 3.109 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000414128133 565898087 /nfs/dbraw/zinc/89/80/87/565898087.db2.gz REZFAVPGGWDUQU-GOSISDBHSA-N 2 2 378.314 3.483 10 0 GGAELP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000414137690 565898192 /nfs/dbraw/zinc/89/81/92/565898192.db2.gz KBCNWCQXKQLFOA-WBVHZDCISA-N 2 2 384.362 3.099 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(I)cc1 ZINC000178325568 565911831 /nfs/dbraw/zinc/91/18/31/565911831.db2.gz VIJNUVFCLHDJAQ-INIZCTEOSA-N 2 2 381.261 3.461 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(I)cc1 ZINC000178325568 565911841 /nfs/dbraw/zinc/91/18/41/565911841.db2.gz VIJNUVFCLHDJAQ-INIZCTEOSA-N 2 2 381.261 3.461 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303041 565912194 /nfs/dbraw/zinc/91/21/94/565912194.db2.gz MBRVHSRNAUAZPC-INIZCTEOSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000178303041 565912199 /nfs/dbraw/zinc/91/21/99/565912199.db2.gz MBRVHSRNAUAZPC-INIZCTEOSA-N 2 2 391.313 3.366 10 0 GGAELP O[C@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000178517909 565922787 /nfs/dbraw/zinc/92/27/87/565922787.db2.gz GQIKFFZTGDEWDR-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP C[C@@H](C[NH2+][C@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000178522611 565924968 /nfs/dbraw/zinc/92/49/68/565924968.db2.gz AKJHKAOWDVPKPF-YOEHRIQHSA-N 2 2 383.330 3.221 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750015 565934906 /nfs/dbraw/zinc/93/49/06/565934906.db2.gz MKIBFVQBRBBPIU-INIZCTEOSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750015 565934914 /nfs/dbraw/zinc/93/49/14/565934914.db2.gz MKIBFVQBRBBPIU-INIZCTEOSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748645 565935290 /nfs/dbraw/zinc/93/52/90/565935290.db2.gz ZJNFINPWINJKTG-MRXNPFEDSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1C ZINC000178748645 565935298 /nfs/dbraw/zinc/93/52/98/565935298.db2.gz ZJNFINPWINJKTG-MRXNPFEDSA-N 2 2 391.313 3.366 10 0 GGAELP [NH3+][C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)c1ccccc1 ZINC000414832799 565962427 /nfs/dbraw/zinc/96/24/27/565962427.db2.gz OYAKLPJFABQEGB-MRXNPFEDSA-N 2 2 377.282 3.400 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Br ZINC000415013037 565970790 /nfs/dbraw/zinc/97/07/90/565970790.db2.gz UMBNEEQQXGHGOD-BDAKNGLRSA-N 2 2 380.124 3.436 10 0 GGAELP CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Br ZINC000415013039 565971062 /nfs/dbraw/zinc/97/10/62/565971062.db2.gz UMBNEEQQXGHGOD-IUCAKERBSA-N 2 2 380.124 3.436 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059502 565972211 /nfs/dbraw/zinc/97/22/11/565972211.db2.gz XAPQYEFLDRACBY-XJKSGUPXSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059502 565972214 /nfs/dbraw/zinc/97/22/14/565972214.db2.gz XAPQYEFLDRACBY-XJKSGUPXSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000415072573 565972723 /nfs/dbraw/zinc/97/27/23/565972723.db2.gz WVTCGQQDNACTJL-NSHDSACASA-N 2 2 379.245 3.291 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438013 565990708 /nfs/dbraw/zinc/99/07/08/565990708.db2.gz RYIKSJHQBNTAKC-XJKSGUPXSA-N 2 2 383.330 3.382 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438013 565990711 /nfs/dbraw/zinc/99/07/11/565990711.db2.gz RYIKSJHQBNTAKC-XJKSGUPXSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438013 565990712 /nfs/dbraw/zinc/99/07/12/565990712.db2.gz RYIKSJHQBNTAKC-XJKSGUPXSA-N 2 2 383.330 3.382 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(cc2Br)OCCO3)[C@@H](C)C1 ZINC000245438013 565990715 /nfs/dbraw/zinc/99/07/15/565990715.db2.gz RYIKSJHQBNTAKC-XJKSGUPXSA-N 2 2 383.330 3.382 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247797261 566066434 /nfs/dbraw/zinc/06/64/34/566066434.db2.gz ZUGOHYWDZVKFJW-BLLLJJGKSA-N 2 2 395.276 3.306 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000247797261 566066438 /nfs/dbraw/zinc/06/64/38/566066438.db2.gz ZUGOHYWDZVKFJW-BLLLJJGKSA-N 2 2 395.276 3.306 10 0 GGAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2ncc(Br)s2)nc[nH+]1 ZINC000180573550 566073566 /nfs/dbraw/zinc/07/35/66/566073566.db2.gz CIXJEMWBFYPHMG-QWRGUYRKSA-N 2 2 397.346 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248565385 566081549 /nfs/dbraw/zinc/08/15/49/566081549.db2.gz ORKLMHRUCKREHF-WMLDXEAASA-N 2 2 382.277 3.291 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248565385 566081555 /nfs/dbraw/zinc/08/15/55/566081555.db2.gz ORKLMHRUCKREHF-WMLDXEAASA-N 2 2 382.277 3.291 10 0 GGAELP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(Br)c1O ZINC000261621735 566126913 /nfs/dbraw/zinc/12/69/13/566126913.db2.gz BZVBRVLVFASDJQ-CVEARBPZSA-N 2 2 391.309 3.338 10 0 GGAELP Cn1ccnc1C[N@H+](Cc1cccc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262194589 566148487 /nfs/dbraw/zinc/14/84/87/566148487.db2.gz ZCGCSSBUKJDXDP-QGZVFWFLSA-N 2 2 389.341 3.327 10 0 GGAELP Cn1ccnc1C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262194589 566148489 /nfs/dbraw/zinc/14/84/89/566148489.db2.gz ZCGCSSBUKJDXDP-QGZVFWFLSA-N 2 2 389.341 3.327 10 0 GGAELP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1Br ZINC000419258465 566231702 /nfs/dbraw/zinc/23/17/02/566231702.db2.gz BFLWHXSFBWKDIE-ZDUSSCGKSA-N 2 2 380.330 3.383 10 0 GGAELP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(Br)cc1 ZINC000419284700 566231923 /nfs/dbraw/zinc/23/19/23/566231923.db2.gz CVJOUXTZVZBSMQ-ZDUSSCGKSA-N 2 2 380.330 3.383 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(C(F)(F)F)c3)CC2)CC1 ZINC000624938392 566260056 /nfs/dbraw/zinc/26/00/56/566260056.db2.gz YFMCCEJLURFYIU-UHFFFAOYSA-N 2 2 375.460 3.055 10 0 GGAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923007 566265748 /nfs/dbraw/zinc/26/57/48/566265748.db2.gz JRHRRFBPVXEKNB-CRAIPNDOSA-N 2 2 380.374 3.397 10 0 GGAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC(C)(C)c2ccc(Br)cc21 ZINC000481923007 566265755 /nfs/dbraw/zinc/26/57/55/566265755.db2.gz JRHRRFBPVXEKNB-CRAIPNDOSA-N 2 2 380.374 3.397 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784779 566267480 /nfs/dbraw/zinc/26/74/80/566267480.db2.gz IAQQHYJNDXDVSW-SFHVURJKSA-N 2 2 395.341 3.268 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784779 566267482 /nfs/dbraw/zinc/26/74/82/566267482.db2.gz IAQQHYJNDXDVSW-SFHVURJKSA-N 2 2 395.341 3.268 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420395045 566275322 /nfs/dbraw/zinc/27/53/22/566275322.db2.gz KPTINIMCAKDYJH-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1Br ZINC000420395045 566275329 /nfs/dbraw/zinc/27/53/29/566275329.db2.gz KPTINIMCAKDYJH-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386440 566275495 /nfs/dbraw/zinc/27/54/95/566275495.db2.gz FVWMHFZHWVRFOH-UKRRQHHQSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386440 566275502 /nfs/dbraw/zinc/27/55/02/566275502.db2.gz FVWMHFZHWVRFOH-UKRRQHHQSA-N 2 2 383.330 3.430 10 0 GGAELP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420394453 566276661 /nfs/dbraw/zinc/27/66/61/566276661.db2.gz KPTINIMCAKDYJH-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1Br ZINC000420394453 566276670 /nfs/dbraw/zinc/27/66/70/566276670.db2.gz KPTINIMCAKDYJH-PBHICJAKSA-N 2 2 380.330 3.160 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000420380554 566276810 /nfs/dbraw/zinc/27/68/10/566276810.db2.gz CEKDOQZZCPJDGH-BBRMVZONSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)OCCO2 ZINC000420380554 566276814 /nfs/dbraw/zinc/27/68/14/566276814.db2.gz CEKDOQZZCPJDGH-BBRMVZONSA-N 2 2 381.314 3.184 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000482240440 566296718 /nfs/dbraw/zinc/29/67/18/566296718.db2.gz GFPGHYXHMZYWRC-CZUORRHYSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000482240440 566296729 /nfs/dbraw/zinc/29/67/29/566296729.db2.gz GFPGHYXHMZYWRC-CZUORRHYSA-N 2 2 388.293 3.053 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000625258847 566299837 /nfs/dbraw/zinc/29/98/37/566299837.db2.gz AJVPNWXCALAVQW-QGZVFWFLSA-N 2 2 389.297 3.305 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000625258847 566299844 /nfs/dbraw/zinc/29/98/44/566299844.db2.gz AJVPNWXCALAVQW-QGZVFWFLSA-N 2 2 389.297 3.305 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600590 566316847 /nfs/dbraw/zinc/31/68/47/566316847.db2.gz HHJXNZNHAYSSEQ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600590 566316854 /nfs/dbraw/zinc/31/68/54/566316854.db2.gz HHJXNZNHAYSSEQ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600590 566316860 /nfs/dbraw/zinc/31/68/60/566316860.db2.gz HHJXNZNHAYSSEQ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@@H](C)C1 ZINC000556600590 566316865 /nfs/dbraw/zinc/31/68/65/566316865.db2.gz HHJXNZNHAYSSEQ-GUYCJALGSA-N 2 2 383.330 3.398 10 0 GGAELP CN(C(=O)c1ccsc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502397 566330054 /nfs/dbraw/zinc/33/00/54/566330054.db2.gz YKXKBAMANKTXCQ-ZDUSSCGKSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1ccsc1C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502397 566330063 /nfs/dbraw/zinc/33/00/63/566330063.db2.gz YKXKBAMANKTXCQ-ZDUSSCGKSA-N 2 2 375.460 3.007 10 0 GGAELP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000648923681 566330397 /nfs/dbraw/zinc/33/03/97/566330397.db2.gz OCSPNSGAPDFTAA-LLVKDONJSA-N 2 2 380.290 3.259 10 0 GGAELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1Br ZINC000482883716 566341725 /nfs/dbraw/zinc/34/17/25/566341725.db2.gz DYVLZCQQUWGCJH-AWEZNQCLSA-N 2 2 382.346 3.042 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1Br ZINC000556939067 566347659 /nfs/dbraw/zinc/34/76/59/566347659.db2.gz APFVLESPGNQICG-RNCFNFMXSA-N 2 2 392.135 3.308 10 0 GGAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000462774455 566351443 /nfs/dbraw/zinc/35/14/43/566351443.db2.gz CMJFLSUDHCNEGG-OAHLLOKOSA-N 2 2 387.307 3.434 10 0 GGAELP Cc1c(Cl)c(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000421336549 566366247 /nfs/dbraw/zinc/36/62/47/566366247.db2.gz AIRKOYHTZFYZMC-UHFFFAOYSA-N 2 2 396.720 3.433 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000576704581 566370672 /nfs/dbraw/zinc/37/06/72/566370672.db2.gz WZMQXJFGJDAPNS-KRWDZBQOSA-N 2 2 377.286 3.075 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000576704581 566370680 /nfs/dbraw/zinc/37/06/80/566370680.db2.gz WZMQXJFGJDAPNS-KRWDZBQOSA-N 2 2 377.286 3.075 10 0 GGAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000421381922 566371805 /nfs/dbraw/zinc/37/18/05/566371805.db2.gz XMMRNPCDHZWRBP-UHFFFAOYSA-N 2 2 376.492 3.154 10 0 GGAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3ncc(C(F)(F)F)s3)CC2)CC1 ZINC000421381922 566371811 /nfs/dbraw/zinc/37/18/11/566371811.db2.gz XMMRNPCDHZWRBP-UHFFFAOYSA-N 2 2 376.492 3.154 10 0 GGAELP O=C(C[NH2+]C1(c2c(Cl)cccc2Cl)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000557570949 566397237 /nfs/dbraw/zinc/39/72/37/566397237.db2.gz FLCIFBJBBAHGRQ-UHFFFAOYSA-N 2 2 382.335 3.315 10 0 GGAELP O[C@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC(F)(F)F ZINC000510952744 566423289 /nfs/dbraw/zinc/42/32/89/566423289.db2.gz PYPYJWMUFWNOSH-NSHDSACASA-N 2 2 396.207 3.054 10 0 GGAELP O[C@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC(F)(F)F ZINC000510952744 566423296 /nfs/dbraw/zinc/42/32/96/566423296.db2.gz PYPYJWMUFWNOSH-NSHDSACASA-N 2 2 396.207 3.054 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)CC3CCCC3)[nH+]c12 ZINC000577624172 566451329 /nfs/dbraw/zinc/45/13/29/566451329.db2.gz RHFACXWUZKEBIE-KRWDZBQOSA-N 2 2 380.330 3.479 10 0 GGAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025472 566469456 /nfs/dbraw/zinc/46/94/56/566469456.db2.gz OJTOXHPNRNXKEE-GWCFXTLKSA-N 2 2 381.236 3.325 10 0 GGAELP CCO[C@@H]1C[N@H+](Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C[NH3+] ZINC000650714443 566472504 /nfs/dbraw/zinc/47/25/04/566472504.db2.gz DQJNSHAWZWPXKD-CZUORRHYSA-N 2 2 396.354 3.368 10 0 GGAELP CCO[C@@H]1C[N@@H+](Cc2csc(-c3cccc(Br)c3)n2)C[C@H]1C[NH3+] ZINC000650714443 566472508 /nfs/dbraw/zinc/47/25/08/566472508.db2.gz DQJNSHAWZWPXKD-CZUORRHYSA-N 2 2 396.354 3.368 10 0 GGAELP COc1ccc([C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423125180 566476203 /nfs/dbraw/zinc/47/62/03/566476203.db2.gz NFFMGCFWWSHLPZ-ROUUACIJSA-N 2 2 393.329 3.127 10 0 GGAELP C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122774 566476280 /nfs/dbraw/zinc/47/62/80/566476280.db2.gz CWYIGXHOOXHQJV-STQMWFEESA-N 2 2 394.313 3.430 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)s1 ZINC000423105112 566477271 /nfs/dbraw/zinc/47/72/71/566477271.db2.gz NDEFAYLSYJBKFH-XJKSGUPXSA-N 2 2 385.371 3.289 10 0 GGAELP C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(Br)cc1OCCCO ZINC000423122771 566477300 /nfs/dbraw/zinc/47/73/00/566477300.db2.gz CWYIGXHOOXHQJV-CHWSQXEVSA-N 2 2 394.313 3.430 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)s1 ZINC000423105109 566477311 /nfs/dbraw/zinc/47/73/11/566477311.db2.gz NDEFAYLSYJBKFH-BBRMVZONSA-N 2 2 385.371 3.289 10 0 GGAELP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C2 ZINC000558564341 566486253 /nfs/dbraw/zinc/48/62/53/566486253.db2.gz MJFOOSVRSAGYHZ-ZDUSSCGKSA-N 2 2 391.313 3.217 10 0 GGAELP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515299 566489842 /nfs/dbraw/zinc/48/98/42/566489842.db2.gz NATYVPFYXKJMOC-JQWIXIFHSA-N 2 2 392.135 3.241 10 0 GGAELP C[N@H+](CCCOc1cccc(I)c1)CCCn1cc[nH+]c1 ZINC000538144522 566495208 /nfs/dbraw/zinc/49/52/08/566495208.db2.gz ONAWLOVQPRTFPI-UHFFFAOYSA-N 2 2 399.276 3.279 10 0 GGAELP C[N@@H+](CCCOc1cccc(I)c1)CCCn1cc[nH+]c1 ZINC000538144522 566495216 /nfs/dbraw/zinc/49/52/16/566495216.db2.gz ONAWLOVQPRTFPI-UHFFFAOYSA-N 2 2 399.276 3.279 10 0 GGAELP O=S1(=O)CCC(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000539050503 566555661 /nfs/dbraw/zinc/55/56/61/566555661.db2.gz HIYKCCHMKVRCSS-UHFFFAOYSA-N 2 2 384.973 3.109 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393734 566556501 /nfs/dbraw/zinc/55/65/01/566556501.db2.gz CWHVAXZLWBCYSH-AVVWSFFYSA-N 2 2 385.321 3.271 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449393734 566556503 /nfs/dbraw/zinc/55/65/03/566556503.db2.gz CWHVAXZLWBCYSH-AVVWSFFYSA-N 2 2 385.321 3.271 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322097 566584512 /nfs/dbraw/zinc/58/45/12/566584512.db2.gz GZONTFRWMOQURC-OAHLLOKOSA-N 2 2 377.286 3.230 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674322097 566584520 /nfs/dbraw/zinc/58/45/20/566584520.db2.gz GZONTFRWMOQURC-OAHLLOKOSA-N 2 2 377.286 3.230 10 0 GGAELP CCO[C@@H]1C[N@H+](Cc2csc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356520 566605925 /nfs/dbraw/zinc/60/59/25/566605925.db2.gz ORXLWISWGKIZBT-CZUORRHYSA-N 2 2 396.354 3.368 10 0 GGAELP CCO[C@@H]1C[N@@H+](Cc2csc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356520 566605931 /nfs/dbraw/zinc/60/59/31/566605931.db2.gz ORXLWISWGKIZBT-CZUORRHYSA-N 2 2 396.354 3.368 10 0 GGAELP Cc1cc(Br)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000513661080 566615735 /nfs/dbraw/zinc/61/57/35/566615735.db2.gz MJKJGYQGGNRLBT-LJQANCHMSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1cc(Br)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000513661080 566615744 /nfs/dbraw/zinc/61/57/44/566615744.db2.gz MJKJGYQGGNRLBT-LJQANCHMSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1cc(Br)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000513661079 566615943 /nfs/dbraw/zinc/61/59/43/566615943.db2.gz MJKJGYQGGNRLBT-IBGZPJMESA-N 2 2 380.374 3.359 10 0 GGAELP Cc1cc(Br)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000513661079 566615951 /nfs/dbraw/zinc/61/59/51/566615951.db2.gz MJKJGYQGGNRLBT-IBGZPJMESA-N 2 2 380.374 3.359 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000514076936 566641531 /nfs/dbraw/zinc/64/15/31/566641531.db2.gz HXKFCNJPGWBJSL-GFCCVEGCSA-N 2 2 378.270 3.338 10 0 GGAELP COC(=O)c1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000514076936 566641538 /nfs/dbraw/zinc/64/15/38/566641538.db2.gz HXKFCNJPGWBJSL-GFCCVEGCSA-N 2 2 378.270 3.338 10 0 GGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000629390305 566652742 /nfs/dbraw/zinc/65/27/42/566652742.db2.gz NQTAPKLYJMJMPK-NWDGAFQWSA-N 2 2 379.245 3.289 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1Br ZINC000629396970 566654128 /nfs/dbraw/zinc/65/41/28/566654128.db2.gz RVXVEWXPLIEKIN-KOLCDFICSA-N 2 2 392.135 3.450 10 0 GGAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1Br ZINC000629524206 566664370 /nfs/dbraw/zinc/66/43/70/566664370.db2.gz NQQSIIAIYDCIML-SNVBAGLBSA-N 2 2 392.135 3.370 10 0 GGAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584838 566667345 /nfs/dbraw/zinc/66/73/45/566667345.db2.gz VHPYNZINRKCAMH-YJZQOORCSA-N 2 2 384.351 3.491 10 0 GGAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1Cl ZINC000629584838 566667353 /nfs/dbraw/zinc/66/73/53/566667353.db2.gz VHPYNZINRKCAMH-YJZQOORCSA-N 2 2 384.351 3.491 10 0 GGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000629603301 566672340 /nfs/dbraw/zinc/67/23/40/566672340.db2.gz LXEQYWSUTJXXDD-QGZVFWFLSA-N 2 2 380.330 3.384 10 0 GGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Nc1ccc(Br)cc1 ZINC000629603301 566672346 /nfs/dbraw/zinc/67/23/46/566672346.db2.gz LXEQYWSUTJXXDD-QGZVFWFLSA-N 2 2 380.330 3.384 10 0 GGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000629668008 566678637 /nfs/dbraw/zinc/67/86/37/566678637.db2.gz WJHGFRCIEBGOPR-HDICACEKSA-N 2 2 375.314 3.066 10 0 GGAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cnn(-c3ccc(Br)cc3)c1)C2 ZINC000629668008 566678647 /nfs/dbraw/zinc/67/86/47/566678647.db2.gz WJHGFRCIEBGOPR-HDICACEKSA-N 2 2 375.314 3.066 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000487962339 566699737 /nfs/dbraw/zinc/69/97/37/566699737.db2.gz YLDVDIWNOQNSLZ-OAHLLOKOSA-N 2 2 377.941 3.397 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1sccc1Br ZINC000541226027 566704464 /nfs/dbraw/zinc/70/44/64/566704464.db2.gz QPZADBDGVKQEJC-WCQYABFASA-N 2 2 397.342 3.086 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1Br ZINC000541226422 566705178 /nfs/dbraw/zinc/70/51/78/566705178.db2.gz FRDNQUISXFGMHO-CZUORRHYSA-N 2 2 391.313 3.024 10 0 GGAELP CO[C@H](CC[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C(F)(F)F ZINC000468601641 566713385 /nfs/dbraw/zinc/71/33/85/566713385.db2.gz VOLYMGKANRGTHN-GFCCVEGCSA-N 2 2 380.208 3.462 10 0 GGAELP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581129922 566752247 /nfs/dbraw/zinc/75/22/47/566752247.db2.gz CWFQXFWAPVHLPM-CRAIPNDOSA-N 2 2 394.357 3.092 10 0 GGAELP CC1(C)C[NH+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000516310636 566757893 /nfs/dbraw/zinc/75/78/93/566757893.db2.gz MHAFVSPEIRRRBE-UHFFFAOYSA-N 2 2 384.351 3.416 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208097 566790990 /nfs/dbraw/zinc/79/09/90/566790990.db2.gz XXMBHGXIAFWYCH-MRXNPFEDSA-N 2 2 389.341 3.469 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631208097 566790994 /nfs/dbraw/zinc/79/09/94/566790994.db2.gz XXMBHGXIAFWYCH-MRXNPFEDSA-N 2 2 389.341 3.469 10 0 GGAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469498204 566794112 /nfs/dbraw/zinc/79/41/12/566794112.db2.gz UHXFTNMUIAHKPP-UHFFFAOYSA-N 2 2 377.286 3.224 10 0 GGAELP C[C@@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000631269197 566794933 /nfs/dbraw/zinc/79/49/33/566794933.db2.gz ILHJOXRSVYPPIN-AWEZNQCLSA-N 2 2 375.519 3.231 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887766 566832057 /nfs/dbraw/zinc/83/20/57/566832057.db2.gz UIIZHJPGDNSGPS-ZFWWWQNUSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000631887766 566832064 /nfs/dbraw/zinc/83/20/64/566832064.db2.gz UIIZHJPGDNSGPS-ZFWWWQNUSA-N 2 2 377.286 3.073 10 0 GGAELP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCO2 ZINC000655701571 566836730 /nfs/dbraw/zinc/83/67/30/566836730.db2.gz TVUAKVLIXLNQMX-NVXWUHKLSA-N 2 2 381.314 3.116 10 0 GGAELP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655763544 566845332 /nfs/dbraw/zinc/84/53/32/566845332.db2.gz PRSILKIXACWSJJ-WMLDXEAASA-N 2 2 381.314 3.116 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655755575 566846155 /nfs/dbraw/zinc/84/61/55/566846155.db2.gz FMBSUXCOMBLYKD-KRWDZBQOSA-N 2 2 383.330 3.191 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336583 566849680 /nfs/dbraw/zinc/84/96/80/566849680.db2.gz AJVGPDLZGZBUMA-CEXWTWQISA-N 2 2 397.357 3.370 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679336583 566849685 /nfs/dbraw/zinc/84/96/85/566849685.db2.gz AJVGPDLZGZBUMA-CEXWTWQISA-N 2 2 397.357 3.370 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(Br)s1 ZINC000543085527 566850228 /nfs/dbraw/zinc/85/02/28/566850228.db2.gz QUNYBWMZNDRZQV-NWDGAFQWSA-N 2 2 397.342 3.086 10 0 GGAELP C[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490652074 566873712 /nfs/dbraw/zinc/87/37/12/566873712.db2.gz QICQTFNTNUJCPO-MAUKXSAKSA-N 2 2 386.367 3.330 10 0 GGAELP C[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490652074 566873716 /nfs/dbraw/zinc/87/37/16/566873716.db2.gz QICQTFNTNUJCPO-MAUKXSAKSA-N 2 2 386.367 3.330 10 0 GGAELP C[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490652075 566874402 /nfs/dbraw/zinc/87/44/02/566874402.db2.gz QICQTFNTNUJCPO-QAPCUYQASA-N 2 2 386.367 3.330 10 0 GGAELP C[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490652075 566874410 /nfs/dbraw/zinc/87/44/10/566874410.db2.gz QICQTFNTNUJCPO-QAPCUYQASA-N 2 2 386.367 3.330 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@@H]21 ZINC000563691046 566909725 /nfs/dbraw/zinc/90/97/25/566909725.db2.gz CNBQUYDNELYQAL-PMPSAXMXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)[C@H]2CCC[C@@H]21 ZINC000563691046 566909735 /nfs/dbraw/zinc/90/97/35/566909735.db2.gz CNBQUYDNELYQAL-PMPSAXMXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]2CCC[C@@H]21 ZINC000563691046 566909742 /nfs/dbraw/zinc/90/97/42/566909742.db2.gz CNBQUYDNELYQAL-PMPSAXMXSA-N 2 2 390.329 3.197 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(-c3ccc(Br)cc3)n[nH]2)[C@H]2CCC[C@@H]21 ZINC000563691046 566909746 /nfs/dbraw/zinc/90/97/46/566909746.db2.gz CNBQUYDNELYQAL-PMPSAXMXSA-N 2 2 390.329 3.197 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000680635220 566923629 /nfs/dbraw/zinc/92/36/29/566923629.db2.gz KFXCJRUNDIRCMF-QGZVFWFLSA-N 2 2 394.357 3.046 10 0 GGAELP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000680635220 566923634 /nfs/dbraw/zinc/92/36/34/566923634.db2.gz KFXCJRUNDIRCMF-QGZVFWFLSA-N 2 2 394.357 3.046 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227996 566937998 /nfs/dbraw/zinc/93/79/98/566937998.db2.gz QPLDTAZRKYJCPH-PBHICJAKSA-N 2 2 386.367 3.314 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227996 566938001 /nfs/dbraw/zinc/93/80/01/566938001.db2.gz QPLDTAZRKYJCPH-PBHICJAKSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227996 566938010 /nfs/dbraw/zinc/93/80/10/566938010.db2.gz QPLDTAZRKYJCPH-PBHICJAKSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000471227996 566938021 /nfs/dbraw/zinc/93/80/21/566938021.db2.gz QPLDTAZRKYJCPH-PBHICJAKSA-N 2 2 386.367 3.314 10 0 GGAELP COc1cc(C)nc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000544706200 566983024 /nfs/dbraw/zinc/98/30/24/566983024.db2.gz KONSFPVJTQWANV-UHFFFAOYSA-N 2 2 389.297 3.450 10 0 GGAELP COCc1cnc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)s1 ZINC000544710697 566985023 /nfs/dbraw/zinc/98/50/23/566985023.db2.gz LEMIPEQZKRZVBW-UHFFFAOYSA-N 2 2 395.326 3.340 10 0 GGAELP O=C(Cn1cc[nH+]c1)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000564637701 566994366 /nfs/dbraw/zinc/99/43/66/566994366.db2.gz IHBXQWTUEPSBFH-UHFFFAOYSA-N 2 2 381.307 3.315 10 0 GGAELP Cc1ccc(O)c(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000545353080 567041605 /nfs/dbraw/zinc/04/16/05/567041605.db2.gz XHTPLEVGZZJDBI-UHFFFAOYSA-N 2 2 375.270 3.147 10 0 GGAELP CCC[C@H](CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552398 567044965 /nfs/dbraw/zinc/04/49/65/567044965.db2.gz GEFMUOXISVAKNF-ILXRZTDVSA-N 2 2 384.351 3.145 10 0 GGAELP Cc1nc(N2CC[NH+](CCCc3ccccc3Br)CC2)cc[nH+]1 ZINC000545395765 567046148 /nfs/dbraw/zinc/04/61/48/567046148.db2.gz AFYZWHWXXVDOTN-UHFFFAOYSA-N 2 2 375.314 3.302 10 0 GGAELP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc(Br)c1OC(F)F ZINC000565312581 567057614 /nfs/dbraw/zinc/05/76/14/567057614.db2.gz CRIWNOWPOCKADU-UHFFFAOYSA-N 2 2 379.245 3.241 10 0 GGAELP COC1([C@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CCOCC1 ZINC000453197266 567061189 /nfs/dbraw/zinc/06/11/89/567061189.db2.gz RXSAPYVABFOQMY-AWEZNQCLSA-N 2 2 396.329 3.121 10 0 GGAELP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)c1O ZINC000545560586 567063709 /nfs/dbraw/zinc/06/37/09/567063709.db2.gz BCFZLSIFOTXEPM-UHFFFAOYSA-N 2 2 383.330 3.471 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248048 567066468 /nfs/dbraw/zinc/06/64/68/567066468.db2.gz ISDJSWCRGPRECL-GXSJLCMTSA-N 2 2 385.224 3.362 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453248048 567066474 /nfs/dbraw/zinc/06/64/74/567066474.db2.gz ISDJSWCRGPRECL-GXSJLCMTSA-N 2 2 385.224 3.362 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252783 567067496 /nfs/dbraw/zinc/06/74/96/567067496.db2.gz CENFJPCQFMNQSS-HOCLYGCPSA-N 2 2 385.371 3.422 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252783 567067505 /nfs/dbraw/zinc/06/75/05/567067505.db2.gz CENFJPCQFMNQSS-HOCLYGCPSA-N 2 2 385.371 3.422 10 0 GGAELP COCC[NH2+]C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000521884844 567084450 /nfs/dbraw/zinc/08/44/50/567084450.db2.gz HGPHZGSSDCRFRJ-UHFFFAOYSA-N 2 2 378.314 3.198 10 0 GGAELP Cc1cc(Br)cn2c(C[NH2+]CC3(O)CCC(F)(F)CC3)c[nH+]c12 ZINC000657776368 567095155 /nfs/dbraw/zinc/09/51/55/567095155.db2.gz CRFFVSOGQIBSLO-UHFFFAOYSA-N 2 2 388.256 3.435 10 0 GGAELP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061471 567118497 /nfs/dbraw/zinc/11/84/97/567118497.db2.gz OKKBJUBVTZDMEM-GOEBONIOSA-N 2 2 387.977 3.162 10 0 GGAELP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061474 567119559 /nfs/dbraw/zinc/11/95/59/567119559.db2.gz OKKBJUBVTZDMEM-HOCLYGCPSA-N 2 2 387.977 3.162 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136792 567124092 /nfs/dbraw/zinc/12/40/92/567124092.db2.gz IIUNHDLYOPEBOF-DOMZBBRYSA-N 2 2 396.354 3.323 10 0 GGAELP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ncc(Br)s1 ZINC000658136792 567124104 /nfs/dbraw/zinc/12/41/04/567124104.db2.gz IIUNHDLYOPEBOF-DOMZBBRYSA-N 2 2 396.354 3.323 10 0 GGAELP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cc1 ZINC000566250542 567142609 /nfs/dbraw/zinc/14/26/09/567142609.db2.gz BCCOOPBTBHFOIE-QGZVFWFLSA-N 2 2 376.298 3.458 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595829 567180677 /nfs/dbraw/zinc/18/06/77/567180677.db2.gz DTKHGCTWMOVIRY-CAOSSQGBSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595829 567180680 /nfs/dbraw/zinc/18/06/80/567180680.db2.gz DTKHGCTWMOVIRY-CAOSSQGBSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC[N@@H+]1CCO ZINC000432847714 567196211 /nfs/dbraw/zinc/19/62/11/567196211.db2.gz VYLNWLNUKMLGGT-CYBMUJFWSA-N 2 2 390.325 3.378 10 0 GGAELP C[C@@H]1CN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC[N@H+]1CCO ZINC000432847714 567196217 /nfs/dbraw/zinc/19/62/17/567196217.db2.gz VYLNWLNUKMLGGT-CYBMUJFWSA-N 2 2 390.325 3.378 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(Br)cs1 ZINC000567009581 567210021 /nfs/dbraw/zinc/21/00/21/567210021.db2.gz UBBTUFAXENHBPG-DGCLKSJQSA-N 2 2 397.342 3.086 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(Br)cs1 ZINC000567009583 567210753 /nfs/dbraw/zinc/21/07/53/567210753.db2.gz UBBTUFAXENHBPG-YPMHNXCESA-N 2 2 397.342 3.086 10 0 GGAELP OCCC[NH+]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000433042440 567218729 /nfs/dbraw/zinc/21/87/29/567218729.db2.gz XZYOVIDGXRNJNF-UHFFFAOYSA-N 2 2 390.325 3.379 10 0 GGAELP Clc1cc(Br)cnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659843905 567231118 /nfs/dbraw/zinc/23/11/18/567231118.db2.gz CZWDMDRDOYBDCD-UHFFFAOYSA-N 2 2 388.737 3.042 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081508 567262876 /nfs/dbraw/zinc/26/28/76/567262876.db2.gz DKGWYNGNAIVOMM-CZUORRHYSA-N 2 2 377.286 3.310 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591081508 567262883 /nfs/dbraw/zinc/26/28/83/567262883.db2.gz DKGWYNGNAIVOMM-CZUORRHYSA-N 2 2 377.286 3.310 10 0 GGAELP CC[NH+](CC)CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591377151 567280249 /nfs/dbraw/zinc/28/02/49/567280249.db2.gz BDPGQZBVPJVGQJ-KRWDZBQOSA-N 2 2 382.346 3.029 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCN(C)[C@@H](c3ccc(Br)cc3)C2)c1 ZINC000639256007 567299436 /nfs/dbraw/zinc/29/94/36/567299436.db2.gz ROWIJGYCGHOJJM-FUHWJXTLSA-N 2 2 377.330 3.150 10 0 GGAELP Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000685835880 567303357 /nfs/dbraw/zinc/30/33/57/567303357.db2.gz HJSWGVGYYAPTEY-OAHLLOKOSA-N 2 2 387.285 3.063 10 0 GGAELP Brc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000685835880 567303363 /nfs/dbraw/zinc/30/33/63/567303363.db2.gz HJSWGVGYYAPTEY-OAHLLOKOSA-N 2 2 387.285 3.063 10 0 GGAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000660754306 567323819 /nfs/dbraw/zinc/32/38/19/567323819.db2.gz PHNSVYQKMOHZMQ-UHFFFAOYSA-N 2 2 389.769 3.003 10 0 GGAELP Cc1cc(Br)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617764381 567333119 /nfs/dbraw/zinc/33/31/19/567333119.db2.gz UQYYCSIELRSXMH-UHFFFAOYSA-N 2 2 390.753 3.024 10 0 GGAELP Cc1cc(Br)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000617764381 567333123 /nfs/dbraw/zinc/33/31/23/567333123.db2.gz UQYYCSIELRSXMH-UHFFFAOYSA-N 2 2 390.753 3.024 10 0 GGAELP FC(F)(F)c1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000434981209 567337269 /nfs/dbraw/zinc/33/72/69/567337269.db2.gz FBCJBMWRTFOMOB-UHFFFAOYSA-N 2 2 377.476 3.486 10 0 GGAELP Fc1cc(Br)cnc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000527630798 567352709 /nfs/dbraw/zinc/35/27/09/567352709.db2.gz HNYISNBIZMYBFH-UHFFFAOYSA-N 2 2 394.288 3.105 10 0 GGAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccsc3Br)[nH+]c2)C1 ZINC000527681225 567360469 /nfs/dbraw/zinc/36/04/69/567360469.db2.gz MKAGHETYLPVOHG-CQSZACIVSA-N 2 2 381.343 3.080 10 0 GGAELP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)s1 ZINC000527708546 567366109 /nfs/dbraw/zinc/36/61/09/567366109.db2.gz BUUIDDKXBGWZMU-SNVBAGLBSA-N 2 2 378.299 3.271 10 0 GGAELP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)s1 ZINC000527708546 567366113 /nfs/dbraw/zinc/36/61/13/567366113.db2.gz BUUIDDKXBGWZMU-SNVBAGLBSA-N 2 2 378.299 3.271 10 0 GGAELP COc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259570 567422136 /nfs/dbraw/zinc/42/21/36/567422136.db2.gz YWPRUFMSMBGVSZ-APWZRJJASA-N 2 2 391.309 3.125 10 0 GGAELP COc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259574 567422591 /nfs/dbraw/zinc/42/25/91/567422591.db2.gz YWPRUFMSMBGVSZ-VQIMIIECSA-N 2 2 391.309 3.125 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285009 567423838 /nfs/dbraw/zinc/42/38/38/567423838.db2.gz TZQFMURESZRBLI-WQVCFCJDSA-N 2 2 388.737 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285009 567423845 /nfs/dbraw/zinc/42/38/45/567423845.db2.gz TZQFMURESZRBLI-WQVCFCJDSA-N 2 2 388.737 3.358 10 0 GGAELP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280152 567424456 /nfs/dbraw/zinc/42/44/56/567424456.db2.gz CXUATVOHQGVONH-BXUZGUMPSA-N 2 2 382.327 3.212 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693276 567424539 /nfs/dbraw/zinc/42/45/39/567424539.db2.gz FPMAFSBTFIAGFU-SFHVURJKSA-N 2 2 383.330 3.432 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc(Br)c1OC ZINC000569693276 567424543 /nfs/dbraw/zinc/42/45/43/567424543.db2.gz FPMAFSBTFIAGFU-SFHVURJKSA-N 2 2 383.330 3.432 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321244 567427085 /nfs/dbraw/zinc/42/70/85/567427085.db2.gz ABDMIVVRPUADKD-AWEZNQCLSA-N 2 2 382.302 3.133 10 0 GGAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321244 567427091 /nfs/dbraw/zinc/42/70/91/567427091.db2.gz ABDMIVVRPUADKD-AWEZNQCLSA-N 2 2 382.302 3.133 10 0 GGAELP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000569746750 567428001 /nfs/dbraw/zinc/42/80/01/567428001.db2.gz DKDBHKVSVHGSFN-IUODEOHRSA-N 2 2 395.288 3.483 10 0 GGAELP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000569746750 567428009 /nfs/dbraw/zinc/42/80/09/567428009.db2.gz DKDBHKVSVHGSFN-IUODEOHRSA-N 2 2 395.288 3.483 10 0 GGAELP C[NH2+][C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(Cl)c1Cl ZINC000662443084 567436483 /nfs/dbraw/zinc/43/64/83/567436483.db2.gz ZLTQJPNWIWQPOY-ZDUSSCGKSA-N 2 2 395.212 3.329 10 0 GGAELP CCC(C)(C)[NH+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662584878 567450441 /nfs/dbraw/zinc/45/04/41/567450441.db2.gz RCUOTEAUZFLSBY-UHFFFAOYSA-N 2 2 386.359 3.060 10 0 GGAELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000528730494 567451669 /nfs/dbraw/zinc/45/16/69/567451669.db2.gz LZFOIJSYXIJSHP-UHFFFAOYSA-N 2 2 383.330 3.015 10 0 GGAELP Cc1ccc(O)c(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000570079397 567457295 /nfs/dbraw/zinc/45/72/95/567457295.db2.gz NTMQHGKBJGGSBD-UHFFFAOYSA-N 2 2 391.269 3.350 10 0 GGAELP Cc1ccc(O)c(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000570079397 567457302 /nfs/dbraw/zinc/45/73/02/567457302.db2.gz NTMQHGKBJGGSBD-UHFFFAOYSA-N 2 2 391.269 3.350 10 0 GGAELP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1(C)C ZINC000662756212 567461299 /nfs/dbraw/zinc/46/12/99/567461299.db2.gz IFTULNSGSHSDBB-ZDUSSCGKSA-N 2 2 395.326 3.071 10 0 GGAELP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccccc1Br ZINC000570683166 567505651 /nfs/dbraw/zinc/50/56/51/567505651.db2.gz BOOMQEZBWSWCOT-OAHLLOKOSA-N 2 2 390.281 3.326 10 0 GGAELP Clc1ccc(I)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000594943192 567527497 /nfs/dbraw/zinc/52/74/97/567527497.db2.gz ICAHHYXHLQYETM-LLVKDONJSA-N 2 2 387.652 3.315 10 0 GGAELP Clc1ccc(I)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000594943192 567527504 /nfs/dbraw/zinc/52/75/04/567527504.db2.gz ICAHHYXHLQYETM-LLVKDONJSA-N 2 2 387.652 3.315 10 0 GGAELP Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)c(Br)c(C)[nH+]1 ZINC000664153132 567554198 /nfs/dbraw/zinc/55/41/98/567554198.db2.gz RMSVSDHSBNBXLU-UHFFFAOYSA-N 2 2 383.334 3.159 10 0 GGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552096025 567557799 /nfs/dbraw/zinc/55/77/99/567557799.db2.gz NTUWNRKNFOFYAD-HNSVSWJLSA-N 2 2 383.989 3.396 10 0 GGAELP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552096025 567557807 /nfs/dbraw/zinc/55/78/07/567557807.db2.gz NTUWNRKNFOFYAD-HNSVSWJLSA-N 2 2 383.989 3.396 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032140 567563421 /nfs/dbraw/zinc/56/34/21/567563421.db2.gz FSLLOWKKHDFRJD-SJKOYZFVSA-N 2 2 381.307 3.241 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530032140 567563427 /nfs/dbraw/zinc/56/34/27/567563427.db2.gz FSLLOWKKHDFRJD-SJKOYZFVSA-N 2 2 381.307 3.241 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625702 567566621 /nfs/dbraw/zinc/56/66/21/567566621.db2.gz KFIFNIWANCWDBO-GOSISDBHSA-N 2 2 393.325 3.040 10 0 GGAELP COc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625702 567566627 /nfs/dbraw/zinc/56/66/27/567566627.db2.gz KFIFNIWANCWDBO-GOSISDBHSA-N 2 2 393.325 3.040 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179800 567580197 /nfs/dbraw/zinc/58/01/97/567580197.db2.gz XUCQXLRHRHJEID-KRWDZBQOSA-N 2 2 375.314 3.317 10 0 GGAELP C[C@](O)(C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244948 567587317 /nfs/dbraw/zinc/58/73/17/567587317.db2.gz RLYUUUVQAMTHLQ-QAPCUYQASA-N 2 2 385.321 3.402 10 0 GGAELP C[C@](O)(C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244948 567587321 /nfs/dbraw/zinc/58/73/21/567587321.db2.gz RLYUUUVQAMTHLQ-QAPCUYQASA-N 2 2 385.321 3.402 10 0 GGAELP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621753372 567609108 /nfs/dbraw/zinc/60/91/08/567609108.db2.gz NFZMKGROFOANMB-INIZCTEOSA-N 2 2 390.316 3.371 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cscc3C(F)(F)F)CC2)CC1 ZINC000621803986 567612331 /nfs/dbraw/zinc/61/23/31/567612331.db2.gz BGXNXAUGYXVHKT-UHFFFAOYSA-N 2 2 375.460 3.055 10 0 GGAELP Brc1ccc(CC2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000665264814 567615636 /nfs/dbraw/zinc/61/56/36/567615636.db2.gz IMBBXIAUKDZMCH-ROUUACIJSA-N 2 2 379.342 3.128 10 0 GGAELP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3cc(F)c(Br)cc31)CCO2 ZINC000645385162 567620320 /nfs/dbraw/zinc/62/03/20/567620320.db2.gz ZHIFFNQHODBOTL-UHFFFAOYSA-N 2 2 394.288 3.437 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)cc1Br ZINC000666353822 567667144 /nfs/dbraw/zinc/66/71/44/567667144.db2.gz GYGZXUFIAMXTNM-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)cc1Br ZINC000666353822 567667153 /nfs/dbraw/zinc/66/71/53/567667153.db2.gz GYGZXUFIAMXTNM-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961919 567690336 /nfs/dbraw/zinc/69/03/36/567690336.db2.gz CIYDTVBJQSGDQR-RHSMWYFYSA-N 2 2 382.346 3.042 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961919 567690341 /nfs/dbraw/zinc/69/03/41/567690341.db2.gz CIYDTVBJQSGDQR-RHSMWYFYSA-N 2 2 382.346 3.042 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Br)cc3cccnc31)CCO2 ZINC000646104402 567693474 /nfs/dbraw/zinc/69/34/74/567693474.db2.gz CISKXCOPIQPCBP-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Br)cc3cccnc31)CCO2 ZINC000646104402 567693481 /nfs/dbraw/zinc/69/34/81/567693481.db2.gz CISKXCOPIQPCBP-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351284 567703275 /nfs/dbraw/zinc/70/32/75/567703275.db2.gz KLQFTCGDWWFRKJ-NSHDSACASA-N 2 2 375.826 3.364 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351284 567703281 /nfs/dbraw/zinc/70/32/81/567703281.db2.gz KLQFTCGDWWFRKJ-NSHDSACASA-N 2 2 375.826 3.364 10 0 GGAELP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000666796687 567704491 /nfs/dbraw/zinc/70/44/91/567704491.db2.gz BVBJNKNKVGVPHT-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP Cc1cc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000666796687 567704498 /nfs/dbraw/zinc/70/44/98/567704498.db2.gz BVBJNKNKVGVPHT-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1F ZINC000623418521 567708906 /nfs/dbraw/zinc/70/89/06/567708906.db2.gz UDXRYGWSTXVMEA-CQSZACIVSA-N 2 2 389.284 3.460 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)[nH+]c12 ZINC000623491183 567714669 /nfs/dbraw/zinc/71/46/69/567714669.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 3 2 379.346 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)[nH+]c12 ZINC000623491183 567714675 /nfs/dbraw/zinc/71/46/75/567714675.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 3 2 379.346 3.410 10 0 GGAELP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508807 567717402 /nfs/dbraw/zinc/71/74/02/567717402.db2.gz JGULOSDAGMRZDS-ZBFHGGJFSA-N 2 2 380.330 3.017 10 0 GGAELP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1(C)C ZINC000623508807 567717408 /nfs/dbraw/zinc/71/74/08/567717408.db2.gz JGULOSDAGMRZDS-ZBFHGGJFSA-N 2 2 380.330 3.017 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(Br)c1Cl ZINC000667046678 567720173 /nfs/dbraw/zinc/72/01/73/567720173.db2.gz DQUPFMSUZNXUBK-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(Br)c1Cl ZINC000667046678 567720179 /nfs/dbraw/zinc/72/01/79/567720179.db2.gz DQUPFMSUZNXUBK-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)[nH+]cc1Br ZINC000667203463 567734465 /nfs/dbraw/zinc/73/44/65/567734465.db2.gz OVSSNLFWAKQMIM-GFCCVEGCSA-N 2 2 398.349 3.152 10 0 GGAELP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)[nH+]cc1Br ZINC000667203463 567734471 /nfs/dbraw/zinc/73/44/71/567734471.db2.gz OVSSNLFWAKQMIM-GFCCVEGCSA-N 2 2 398.349 3.152 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000573824474 567738475 /nfs/dbraw/zinc/73/84/75/567738475.db2.gz YVWHBACVJZGNQK-GDBMZVCRSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000573824474 567738480 /nfs/dbraw/zinc/73/84/80/567738480.db2.gz YVWHBACVJZGNQK-GDBMZVCRSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824477 567738916 /nfs/dbraw/zinc/73/89/16/567738916.db2.gz YVWHBACVJZGNQK-GOEBONIOSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824477 567738921 /nfs/dbraw/zinc/73/89/21/567738921.db2.gz YVWHBACVJZGNQK-GOEBONIOSA-N 2 2 391.313 3.463 10 0 GGAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccc(Cl)cc1 ZINC000532915690 567743247 /nfs/dbraw/zinc/74/32/47/567743247.db2.gz DVGGWFZJPMODJC-UHFFFAOYSA-N 2 2 377.941 3.178 10 0 GGAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccc(Cl)cc1 ZINC000532915690 567743251 /nfs/dbraw/zinc/74/32/51/567743251.db2.gz DVGGWFZJPMODJC-UHFFFAOYSA-N 2 2 377.941 3.178 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885847 567744247 /nfs/dbraw/zinc/74/42/47/567744247.db2.gz KIDYDXCATKTOMZ-GXTWGEPZSA-N 2 2 379.854 3.385 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl ZINC000623885847 567744250 /nfs/dbraw/zinc/74/42/50/567744250.db2.gz KIDYDXCATKTOMZ-GXTWGEPZSA-N 2 2 379.854 3.385 10 0 GGAELP C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCOCC1 ZINC000623897154 567745692 /nfs/dbraw/zinc/74/56/92/567745692.db2.gz HSCWCSQEZJYMDR-OLZOCXBDSA-N 2 2 379.854 3.243 10 0 GGAELP COc1ncc(Br)cc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624133329 567761892 /nfs/dbraw/zinc/76/18/92/567761892.db2.gz LOEXPJOGPSYSMK-UHFFFAOYSA-N 2 2 377.286 3.006 10 0 GGAELP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443512297 567763773 /nfs/dbraw/zinc/76/37/73/567763773.db2.gz VOFNSRXBCQGQNE-LBPRGKRZSA-N 2 2 382.277 3.029 10 0 GGAELP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000443559539 567766604 /nfs/dbraw/zinc/76/66/04/567766604.db2.gz ONIXMTUEJVQTIJ-UHFFFAOYSA-N 2 2 377.941 3.251 10 0 GGAELP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000443559539 567766611 /nfs/dbraw/zinc/76/66/11/567766611.db2.gz ONIXMTUEJVQTIJ-UHFFFAOYSA-N 2 2 377.941 3.251 10 0 GGAELP Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399939 567776564 /nfs/dbraw/zinc/77/65/64/567776564.db2.gz HBEORRBVSRUIHH-SFHVURJKSA-N 2 2 375.314 3.415 10 0 GGAELP Brc1cccc(-c2c[nH]c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000574399939 567776567 /nfs/dbraw/zinc/77/65/67/567776567.db2.gz HBEORRBVSRUIHH-SFHVURJKSA-N 2 2 375.314 3.415 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c[nH+]c12 ZINC000647479705 567788184 /nfs/dbraw/zinc/78/81/84/567788184.db2.gz QJFVHSZUTRYYSE-YOEHRIQHSA-N 2 2 377.330 3.369 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901375 567805838 /nfs/dbraw/zinc/80/58/38/567805838.db2.gz NJYQGYHYHGMYOO-CKEIUWERSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901375 567805843 /nfs/dbraw/zinc/80/58/43/567805843.db2.gz NJYQGYHYHGMYOO-CKEIUWERSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901378 567806216 /nfs/dbraw/zinc/80/62/16/567806216.db2.gz NJYQGYHYHGMYOO-KEYYUXOJSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901378 567806219 /nfs/dbraw/zinc/80/62/19/567806219.db2.gz NJYQGYHYHGMYOO-KEYYUXOJSA-N 2 2 380.330 3.240 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901565 567806234 /nfs/dbraw/zinc/80/62/34/567806234.db2.gz QMRRCTUNPYPYAC-UKRRQHHQSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901565 567806237 /nfs/dbraw/zinc/80/62/37/567806237.db2.gz QMRRCTUNPYPYAC-UKRRQHHQSA-N 2 2 383.330 3.430 10 0 GGAELP CCOc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(Br)c1OC(F)F ZINC000668539663 567813285 /nfs/dbraw/zinc/81/32/85/567813285.db2.gz HIQWZRQHQFKSDL-UHFFFAOYSA-N 2 2 393.272 3.443 10 0 GGAELP CCOc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(Br)c1OC(F)F ZINC000668539663 567813288 /nfs/dbraw/zinc/81/32/88/567813288.db2.gz HIQWZRQHQFKSDL-UHFFFAOYSA-N 2 2 393.272 3.443 10 0 GGAELP COc1c(Br)cc(C[N@H+](C)CC2C[NH+](C)C2)cc1Br ZINC000668537928 567813302 /nfs/dbraw/zinc/81/33/02/567813302.db2.gz QFWPOSBFYYWFAB-UHFFFAOYSA-N 2 2 392.135 3.214 10 0 GGAELP COc1c(Br)cc(C[N@@H+](C)CC2C[NH+](C)C2)cc1Br ZINC000668537928 567813306 /nfs/dbraw/zinc/81/33/06/567813306.db2.gz QFWPOSBFYYWFAB-UHFFFAOYSA-N 2 2 392.135 3.214 10 0 GGAELP O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811503 570225717 /nfs/dbraw/zinc/22/57/17/570225717.db2.gz FNVCHDXPNYSLNN-KRWDZBQOSA-N 2 2 383.458 3.042 10 0 GGAELP O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012811503 570225721 /nfs/dbraw/zinc/22/57/21/570225721.db2.gz FNVCHDXPNYSLNN-KRWDZBQOSA-N 2 2 383.458 3.042 10 0 GGAELP O=C(C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033070928 570401144 /nfs/dbraw/zinc/40/11/44/570401144.db2.gz GDHPQXKFFBOSOO-UHFFFAOYSA-N 2 2 395.551 3.256 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000072289321 570481813 /nfs/dbraw/zinc/48/18/13/570481813.db2.gz CVPCIEHWZFKZTR-MRXNPFEDSA-N 2 2 380.467 3.457 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000072289321 570481816 /nfs/dbraw/zinc/48/18/16/570481816.db2.gz CVPCIEHWZFKZTR-MRXNPFEDSA-N 2 2 380.467 3.457 10 0 GGAELP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)c(Cc2ccc(Cl)cc2)c(C)[nH+]1 ZINC000036316565 570615035 /nfs/dbraw/zinc/61/50/35/570615035.db2.gz QEJBDFBEBFDSQM-UHFFFAOYSA-N 2 2 388.943 3.231 10 0 GGAELP Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000036340114 570625426 /nfs/dbraw/zinc/62/54/26/570625426.db2.gz XSIJXOCEFSPFGD-QFIPXVFZSA-N 2 2 382.552 3.132 10 0 GGAELP Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000036340115 570625499 /nfs/dbraw/zinc/62/54/99/570625499.db2.gz XSIJXOCEFSPFGD-JOCHJYFZSA-N 2 2 382.552 3.132 10 0 GGAELP CCN(CC)c1cc(CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000065270059 570772995 /nfs/dbraw/zinc/77/29/95/570772995.db2.gz ANIYHAVRMQDGKR-UHFFFAOYSA-N 2 2 394.563 3.425 10 0 GGAELP CCN(CC)c1cc(CCC(=O)NCCC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000065270059 570772998 /nfs/dbraw/zinc/77/29/98/570772998.db2.gz ANIYHAVRMQDGKR-UHFFFAOYSA-N 2 2 394.563 3.425 10 0 GGAELP C[N@H+](Cc1cccc(C(=O)Nc2cccc3c[nH]nc32)c1)C1CC[NH+](C)CC1 ZINC000067803621 570791756 /nfs/dbraw/zinc/79/17/56/570791756.db2.gz NOITYVOXYPUQRP-UHFFFAOYSA-N 2 2 377.492 3.341 10 0 GGAELP C[N@@H+](Cc1cccc(C(=O)Nc2cccc3c[nH]nc32)c1)C1CC[NH+](C)CC1 ZINC000067803621 570791760 /nfs/dbraw/zinc/79/17/60/570791760.db2.gz NOITYVOXYPUQRP-UHFFFAOYSA-N 2 2 377.492 3.341 10 0 GGAELP C[C@@H](c1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)cc1)[NH+]1CCCC1 ZINC000067834405 570793562 /nfs/dbraw/zinc/79/35/62/570793562.db2.gz MDMFOJAGKIPFQD-SFHVURJKSA-N 2 2 378.520 3.293 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)[nH+]c2c1 ZINC000033070832 570802254 /nfs/dbraw/zinc/80/22/54/570802254.db2.gz OJFFEDYFXAABDM-SFHVURJKSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)CC3)[nH+]c2c1 ZINC000033070832 570802256 /nfs/dbraw/zinc/80/22/56/570802256.db2.gz OJFFEDYFXAABDM-SFHVURJKSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)CC3)[nH]c2c1 ZINC000033070832 570802258 /nfs/dbraw/zinc/80/22/58/570802258.db2.gz OJFFEDYFXAABDM-SFHVURJKSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)CC3)[nH]c2c1 ZINC000033070832 570802261 /nfs/dbraw/zinc/80/22/61/570802261.db2.gz OJFFEDYFXAABDM-SFHVURJKSA-N 2 2 397.567 3.326 10 0 GGAELP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4)nc3)cc2)CC1 ZINC000048783044 1405291663 /nfs/dbraw/zinc/29/16/63/1405291663.db2.gz GJIGQCPVTCSTCB-UHFFFAOYSA-N 2 2 387.531 3.181 10 0 GGAELP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccccc4)nc3)cc2)CC1 ZINC000048783044 1405291679 /nfs/dbraw/zinc/29/16/79/1405291679.db2.gz GJIGQCPVTCSTCB-UHFFFAOYSA-N 2 2 387.531 3.181 10 0 GGAELP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000061070199 1408073911 /nfs/dbraw/zinc/07/39/11/1408073911.db2.gz AFVZRCYPGFERBH-UHFFFAOYSA-N 2 2 389.547 3.300 10 0 GGAELP COc1ccc2ccccc2c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000066877009 1408939463 /nfs/dbraw/zinc/93/94/63/1408939463.db2.gz HAOQFJHCZBNNHN-UHFFFAOYSA-N 2 2 376.504 3.285 10 0 GGAELP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3nc4ccccc4n3C)cc2)C[C@@H](C)O1 ZINC000066971275 1408968943 /nfs/dbraw/zinc/96/89/43/1408968943.db2.gz DJKOJCIRMVGOJE-QZTJIDSGSA-N 2 2 378.520 3.472 10 0 GGAELP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000067668701 1409203183 /nfs/dbraw/zinc/20/31/83/1409203183.db2.gz DOYZMVUWHKNECK-UHFFFAOYSA-N 2 2 391.437 3.383 10 0 GGAELP CCCOc1cccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000069706672 1409678442 /nfs/dbraw/zinc/67/84/42/1409678442.db2.gz HRJKROIYKXBDRC-UHFFFAOYSA-N 2 2 381.520 3.153 10 0 GGAELP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OCCCO4)cc2)CC1 ZINC000069708685 1409679248 /nfs/dbraw/zinc/67/92/48/1409679248.db2.gz FOFNBSCHHLJEMB-UHFFFAOYSA-N 2 2 395.547 3.275 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000073803785 1409866022 /nfs/dbraw/zinc/86/60/22/1409866022.db2.gz DEUDOVRBMIMFRN-GASCZTMLSA-N 2 2 376.932 3.281 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000073803785 1409866023 /nfs/dbraw/zinc/86/60/23/1409866023.db2.gz DEUDOVRBMIMFRN-GASCZTMLSA-N 2 2 376.932 3.281 10 0 GGAELP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000107371229 1411366432 /nfs/dbraw/zinc/36/64/32/1411366432.db2.gz HGWHMSBXQWYDCN-YJBOKZPZSA-N 2 2 389.931 3.163 10 0 GGAELP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)CC1 ZINC000107371229 1411366440 /nfs/dbraw/zinc/36/64/40/1411366440.db2.gz HGWHMSBXQWYDCN-YJBOKZPZSA-N 2 2 389.931 3.163 10 0 GGAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795371 1411811088 /nfs/dbraw/zinc/81/10/88/1411811088.db2.gz GKRLYZZIUDSXKS-GOSISDBHSA-N 2 2 392.507 3.350 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000112345744 1412133647 /nfs/dbraw/zinc/13/36/47/1412133647.db2.gz ZWQRJBQWCXSUBM-AWEZNQCLSA-N 2 2 387.484 3.470 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000112345744 1412133650 /nfs/dbraw/zinc/13/36/50/1412133650.db2.gz ZWQRJBQWCXSUBM-AWEZNQCLSA-N 2 2 387.484 3.470 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000112345742 1412133968 /nfs/dbraw/zinc/13/39/68/1412133968.db2.gz ZWQRJBQWCXSUBM-CQSZACIVSA-N 2 2 387.484 3.470 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000112345742 1412133974 /nfs/dbraw/zinc/13/39/74/1412133974.db2.gz ZWQRJBQWCXSUBM-CQSZACIVSA-N 2 2 387.484 3.470 10 0 GGAELP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(OC(F)F)c1 ZINC000114758848 1412520738 /nfs/dbraw/zinc/52/07/38/1412520738.db2.gz CLJMGCXQMWHJHB-UHFFFAOYSA-N 2 2 392.446 3.419 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000116336257 1412851347 /nfs/dbraw/zinc/85/13/47/1412851347.db2.gz FJXQXQOPTKDEBS-OAHLLOKOSA-N 2 2 376.932 3.146 10 0 GGAELP CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000116336257 1412851349 /nfs/dbraw/zinc/85/13/49/1412851349.db2.gz FJXQXQOPTKDEBS-OAHLLOKOSA-N 2 2 376.932 3.146 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC000121178108 1414034551 /nfs/dbraw/zinc/03/45/51/1414034551.db2.gz GMNRPTFUSHCNPD-UHFFFAOYSA-N 3 2 391.519 3.340 10 0 GGAELP c1cc(OCC[NH+]2CCCC2)ccc1CNc1ccc(N2CCOCC2)c[nH+]1 ZINC000121815450 1414266185 /nfs/dbraw/zinc/26/61/85/1414266185.db2.gz FHEIMJPDKJAZPA-UHFFFAOYSA-N 2 2 382.508 3.005 10 0 GGAELP O=C(C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCc2ccccc21 ZINC000177982259 1428914516 /nfs/dbraw/zinc/91/45/16/1428914516.db2.gz FXZITQHAFRSPTE-UHFFFAOYSA-N 2 2 377.532 3.263 10 0 GGAELP COc1ccc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000128998190 1416122988 /nfs/dbraw/zinc/12/29/88/1416122988.db2.gz CZPKAKNURZXYHW-RBUKOAKNSA-N 2 2 397.357 3.315 10 0 GGAELP COc1cc(OC)c(OC)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000131077519 1416505234 /nfs/dbraw/zinc/50/52/34/1416505234.db2.gz BFFIAQYLWLAGID-MRXNPFEDSA-N 2 2 385.508 3.423 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000136561551 1417326382 /nfs/dbraw/zinc/32/63/82/1417326382.db2.gz HZQYGWOGNYFJSQ-ZWKOTPCHSA-N 2 2 384.467 3.154 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(OC(F)F)c1 ZINC000136561509 1417326412 /nfs/dbraw/zinc/32/64/12/1417326412.db2.gz HZQYGWOGNYFJSQ-QZTJIDSGSA-N 2 2 384.467 3.154 10 0 GGAELP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)c2c(c1)OCCO2 ZINC000152968433 1422311218 /nfs/dbraw/zinc/31/12/18/1422311218.db2.gz FXBAXYUMKZMSBG-SFHVURJKSA-N 2 2 385.851 3.120 10 0 GGAELP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000154298957 1422869131 /nfs/dbraw/zinc/86/91/31/1422869131.db2.gz BJTYYFOSDPGHJC-MPJJRAAHSA-N 2 2 395.551 3.386 10 0 GGAELP C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000154298957 1422869133 /nfs/dbraw/zinc/86/91/33/1422869133.db2.gz BJTYYFOSDPGHJC-MPJJRAAHSA-N 2 2 395.551 3.386 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OC(F)(F)F ZINC000155286642 1423301671 /nfs/dbraw/zinc/30/16/71/1423301671.db2.gz IDTGQMNSLKVTAV-GOEBONIOSA-N 2 2 387.446 3.179 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1OC(F)(F)F ZINC000155286642 1423301680 /nfs/dbraw/zinc/30/16/80/1423301680.db2.gz IDTGQMNSLKVTAV-GOEBONIOSA-N 2 2 387.446 3.179 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156511564 1423821023 /nfs/dbraw/zinc/82/10/23/1423821023.db2.gz BOQYGGIQNOBAEJ-UGKGYDQZSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000156511564 1423821024 /nfs/dbraw/zinc/82/10/24/1423821024.db2.gz BOQYGGIQNOBAEJ-UGKGYDQZSA-N 2 2 380.536 3.247 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159018727 1424397247 /nfs/dbraw/zinc/39/72/47/1424397247.db2.gz GDDIUKQFKOCAKR-YJBOKZPZSA-N 2 2 392.450 3.026 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(OC(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159018727 1424397260 /nfs/dbraw/zinc/39/72/60/1424397260.db2.gz GDDIUKQFKOCAKR-YJBOKZPZSA-N 2 2 392.450 3.026 10 0 GGAELP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164755226 1425139986 /nfs/dbraw/zinc/13/99/86/1425139986.db2.gz BYCSFFDNQWZEDF-HBGVWJBISA-N 2 2 388.471 3.251 10 0 GGAELP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164755226 1425139992 /nfs/dbraw/zinc/13/99/92/1425139992.db2.gz BYCSFFDNQWZEDF-HBGVWJBISA-N 2 2 388.471 3.251 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921982 1430813555 /nfs/dbraw/zinc/81/35/55/1430813555.db2.gz CHQJBEISDTWZND-WMZOPIPTSA-N 2 2 386.565 3.055 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183921982 1430813556 /nfs/dbraw/zinc/81/35/56/1430813556.db2.gz CHQJBEISDTWZND-WMZOPIPTSA-N 2 2 386.565 3.055 10 0 GGAELP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346764 1430875970 /nfs/dbraw/zinc/87/59/70/1430875970.db2.gz DJUNIBGCGBNIAG-QRQLOZEOSA-N 2 2 386.565 3.271 10 0 GGAELP CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346764 1430875972 /nfs/dbraw/zinc/87/59/72/1430875972.db2.gz DJUNIBGCGBNIAG-QRQLOZEOSA-N 2 2 386.565 3.271 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000186309702 1431378553 /nfs/dbraw/zinc/37/85/53/1431378553.db2.gz HQWWGBCKVBFWQP-QGZVFWFLSA-N 2 2 384.524 3.119 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000186309702 1431378557 /nfs/dbraw/zinc/37/85/57/1431378557.db2.gz HQWWGBCKVBFWQP-QGZVFWFLSA-N 2 2 384.524 3.119 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000186311133 1431378949 /nfs/dbraw/zinc/37/89/49/1431378949.db2.gz BOQUXPGPCPKLKY-ROUUACIJSA-N 2 2 398.551 3.365 10 0 GGAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000186311153 1431379008 /nfs/dbraw/zinc/37/90/08/1431379008.db2.gz BOQUXPGPCPKLKY-QZTJIDSGSA-N 2 2 398.551 3.365 10 0 GGAELP CN(C(=O)[C@@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627447 1433492628 /nfs/dbraw/zinc/49/26/28/1433492628.db2.gz CNDONKNTIJRKCS-NNWRFLSQSA-N 2 2 399.579 3.033 10 0 GGAELP CN(C(=O)[C@@H]1COc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627447 1433492634 /nfs/dbraw/zinc/49/26/34/1433492634.db2.gz CNDONKNTIJRKCS-NNWRFLSQSA-N 2 2 399.579 3.033 10 0 GGAELP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@H+](C)Cc1ccccc1 ZINC000247352486 1433711674 /nfs/dbraw/zinc/71/16/74/1433711674.db2.gz HAXCICBMHPANOI-SVFBPWRDSA-N 2 2 383.540 3.386 10 0 GGAELP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@@H+](C)Cc1ccccc1 ZINC000247352486 1433711675 /nfs/dbraw/zinc/71/16/75/1433711675.db2.gz HAXCICBMHPANOI-SVFBPWRDSA-N 2 2 383.540 3.386 10 0 GGAELP C[NH+](C)CCCC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000270873734 1434783947 /nfs/dbraw/zinc/78/39/47/1434783947.db2.gz ADXSVHHRHFHRFE-UHFFFAOYSA-N 2 2 394.523 3.075 10 0 GGAELP COCCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cn1 ZINC000015069887 210148106 /nfs/dbraw/zinc/14/81/06/210148106.db2.gz ABZOKCJQCQKUQF-HSZRJFAPSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cn1 ZINC000015069887 210148111 /nfs/dbraw/zinc/14/81/11/210148111.db2.gz ABZOKCJQCQKUQF-HSZRJFAPSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000015069887 210148117 /nfs/dbraw/zinc/14/81/17/210148117.db2.gz ABZOKCJQCQKUQF-HSZRJFAPSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cn1 ZINC000015069887 210148118 /nfs/dbraw/zinc/14/81/18/210148118.db2.gz ABZOKCJQCQKUQF-HSZRJFAPSA-N 2 2 398.526 3.293 10 0 GGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000359904579 209202198 /nfs/dbraw/zinc/20/21/98/209202198.db2.gz WDSJWKZUYXGNFF-CQSZACIVSA-N 2 2 376.854 3.320 10 0 GGAELP COc1ccc(C(=O)C[N@@H+]2c3ccccc3N(CC[NH+]3CCCCC3)C2=N)cc1 ZINC000032600369 209191730 /nfs/dbraw/zinc/19/17/30/209191730.db2.gz KLXHMWLIZJWEPC-UHFFFAOYSA-N 2 2 392.503 3.300 10 0 GGAELP COc1ccc(C(=O)C[N@H+]2c3ccccc3N(CC[NH+]3CCCCC3)C2=N)cc1 ZINC000032600369 209191724 /nfs/dbraw/zinc/19/17/24/209191724.db2.gz KLXHMWLIZJWEPC-UHFFFAOYSA-N 2 2 392.503 3.300 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C(N)=O)cs2)[C@@H]1c1cnn(C)c1 ZINC000328641571 209153119 /nfs/dbraw/zinc/15/31/19/209153119.db2.gz QPMGYKOZODDWJP-KBXCAEBGSA-N 2 2 375.542 3.270 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C(N)=O)cs2)[C@@H]1c1cnn(C)c1 ZINC000328641571 209153123 /nfs/dbraw/zinc/15/31/23/209153123.db2.gz QPMGYKOZODDWJP-KBXCAEBGSA-N 2 2 375.542 3.270 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C(N)=O)cs2)[C@@H]1c1cnn(C)c1 ZINC000328641571 209153125 /nfs/dbraw/zinc/15/31/25/209153125.db2.gz QPMGYKOZODDWJP-KBXCAEBGSA-N 2 2 375.542 3.270 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C(N)=O)cs2)[C@@H]1c1cnn(C)c1 ZINC000328641571 209153128 /nfs/dbraw/zinc/15/31/28/209153128.db2.gz QPMGYKOZODDWJP-KBXCAEBGSA-N 2 2 375.542 3.270 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3c(C)cccn23)[C@@H]1c1cnn(C)c1 ZINC000328626866 209148856 /nfs/dbraw/zinc/14/88/56/209148856.db2.gz FODIYAZYDKXHBA-GHTZIAJQSA-N 2 2 380.540 3.281 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3c(C)cccn23)[C@@H]1c1cnn(C)c1 ZINC000328626866 209148858 /nfs/dbraw/zinc/14/88/58/209148858.db2.gz FODIYAZYDKXHBA-GHTZIAJQSA-N 2 2 380.540 3.281 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc3c(C)cccn23)[C@@H]1c1cnn(C)c1 ZINC000328626866 209148861 /nfs/dbraw/zinc/14/88/61/209148861.db2.gz FODIYAZYDKXHBA-GHTZIAJQSA-N 2 2 380.540 3.281 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc3c(C)cccn23)[C@@H]1c1cnn(C)c1 ZINC000328626866 209148864 /nfs/dbraw/zinc/14/88/64/209148864.db2.gz FODIYAZYDKXHBA-GHTZIAJQSA-N 2 2 380.540 3.281 10 0 GGAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ccc(C)cn23)[C@@H]1c1cnn(C)c1 ZINC000328623210 209148784 /nfs/dbraw/zinc/14/87/84/209148784.db2.gz BSRYAEABRPOYKW-PGRDOPGGSA-N 2 2 380.540 3.281 10 0 GGAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ccc(C)cn23)[C@@H]1c1cnn(C)c1 ZINC000328623210 209148788 /nfs/dbraw/zinc/14/87/88/209148788.db2.gz BSRYAEABRPOYKW-PGRDOPGGSA-N 2 2 380.540 3.281 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc3ccc(C)cn23)[C@@H]1c1cnn(C)c1 ZINC000328623210 209148792 /nfs/dbraw/zinc/14/87/92/209148792.db2.gz BSRYAEABRPOYKW-PGRDOPGGSA-N 2 2 380.540 3.281 10 0 GGAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc3ccc(C)cn23)[C@@H]1c1cnn(C)c1 ZINC000328623210 209148794 /nfs/dbraw/zinc/14/87/94/209148794.db2.gz BSRYAEABRPOYKW-PGRDOPGGSA-N 2 2 380.540 3.281 10 0 GGAELP COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096178650 211316735 /nfs/dbraw/zinc/31/67/35/211316735.db2.gz ILXNTVCVEYRCIO-MOPGFXCFSA-N 2 2 381.520 3.079 10 0 GGAELP COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096178649 211316503 /nfs/dbraw/zinc/31/65/03/211316503.db2.gz ILXNTVCVEYRCIO-OALUTQOASA-N 2 2 381.520 3.079 10 0 GGAELP CC[NH+](CC)CCOCC[N@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000096010189 211295123 /nfs/dbraw/zinc/29/51/23/211295123.db2.gz IITNVEXRCBYIRI-UHFFFAOYSA-N 2 2 388.508 3.427 10 0 GGAELP CC[NH+](CC)CCOCC[N@@H+](Cc1ccoc1C(=O)OC)Cc1ccccc1 ZINC000096010189 211295125 /nfs/dbraw/zinc/29/51/25/211295125.db2.gz IITNVEXRCBYIRI-UHFFFAOYSA-N 2 2 388.508 3.427 10 0 GGAELP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)nn2)cc1Cl ZINC000095940816 211284101 /nfs/dbraw/zinc/28/41/01/211284101.db2.gz UJLMBHLLFLWGNF-HNNXBMFYSA-N 2 2 377.279 3.435 10 0 GGAELP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)nn2)cc1Cl ZINC000095940816 211284104 /nfs/dbraw/zinc/28/41/04/211284104.db2.gz UJLMBHLLFLWGNF-HNNXBMFYSA-N 2 2 377.279 3.435 10 0 GGAELP Clc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3)nn2)cc1Cl ZINC000095940815 211284063 /nfs/dbraw/zinc/28/40/63/211284063.db2.gz UJLMBHLLFLWGNF-OAHLLOKOSA-N 2 2 377.279 3.435 10 0 GGAELP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3)nn2)cc1Cl ZINC000095940815 211284065 /nfs/dbraw/zinc/28/40/65/211284065.db2.gz UJLMBHLLFLWGNF-OAHLLOKOSA-N 2 2 377.279 3.435 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876518 211148930 /nfs/dbraw/zinc/14/89/30/211148930.db2.gz OLVIIGDRYVWUFM-RHSMWYFYSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876518 211148933 /nfs/dbraw/zinc/14/89/33/211148933.db2.gz OLVIIGDRYVWUFM-RHSMWYFYSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876518 211148936 /nfs/dbraw/zinc/14/89/36/211148936.db2.gz OLVIIGDRYVWUFM-RHSMWYFYSA-N 2 2 387.480 3.276 10 0 GGAELP CCOC(=O)Nc1ccc2c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000078876518 211148940 /nfs/dbraw/zinc/14/89/40/211148940.db2.gz OLVIIGDRYVWUFM-RHSMWYFYSA-N 2 2 387.480 3.276 10 0 GGAELP CCc1[nH+]c2cc(-n3ccnc3-c3cc4n(n3)CCC[NH2+]C4)ccc2n1CC ZINC000072479037 211125202 /nfs/dbraw/zinc/12/52/02/211125202.db2.gz KSNMWGDWMOJXHL-UHFFFAOYSA-N 2 2 375.480 3.161 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1C[NH+]1CCOCC1 ZINC000021719842 210391319 /nfs/dbraw/zinc/39/13/19/210391319.db2.gz QWUCYHALXHIPDX-FQEVSTJZSA-N 2 2 385.508 3.469 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)cc1C[NH+]1CCOCC1 ZINC000021719842 210391321 /nfs/dbraw/zinc/39/13/21/210391321.db2.gz QWUCYHALXHIPDX-FQEVSTJZSA-N 2 2 385.508 3.469 10 0 GGAELP O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)s1 ZINC000019938825 210308841 /nfs/dbraw/zinc/30/88/41/210308841.db2.gz OFIFKZBYJSODFP-SFHVURJKSA-N 2 2 395.532 3.497 10 0 GGAELP O=C(NCCCn1cc[nH+]c1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2)s1 ZINC000019938825 210308846 /nfs/dbraw/zinc/30/88/46/210308846.db2.gz OFIFKZBYJSODFP-SFHVURJKSA-N 2 2 395.532 3.497 10 0 GGAELP CCCc1nc(N2CCC([N@@H+]3CC[C@@](O)(c4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000095369611 136178496 /nfs/dbraw/zinc/17/84/96/136178496.db2.gz OHYVRWLSFNIHLA-QHCPKHFHSA-N 2 2 380.536 3.300 10 0 GGAELP CCCc1nc(N2CCC([N@H+]3CC[C@@](O)(c4ccccc4)C3)CC2)cc(C)[nH+]1 ZINC000095369611 136178497 /nfs/dbraw/zinc/17/84/97/136178497.db2.gz OHYVRWLSFNIHLA-QHCPKHFHSA-N 2 2 380.536 3.300 10 0 GGAELP Cn1c[nH+]c(CC[NH2+]Cc2cc(Cl)ccc2I)c1 ZINC000405569536 565587460 /nfs/dbraw/zinc/58/74/60/565587460.db2.gz HCQASMUXZYRZGU-UHFFFAOYSA-N 2 2 375.641 3.010 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000119615171 564278765 /nfs/dbraw/zinc/27/87/65/564278765.db2.gz PUQGGKZELZKBNI-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP CN(C)c1nc(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)cc[nH+]1 ZINC000474771677 564289400 /nfs/dbraw/zinc/28/94/00/564289400.db2.gz VLPXAAJDCBAZJC-UHFFFAOYSA-N 2 2 390.329 3.382 10 0 GGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123816132 564462259 /nfs/dbraw/zinc/46/22/59/564462259.db2.gz JJKFQDDPQHSSMA-AAEUAGOBSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000123816132 564462263 /nfs/dbraw/zinc/46/22/63/564462263.db2.gz JJKFQDDPQHSSMA-AAEUAGOBSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123816132 564462268 /nfs/dbraw/zinc/46/22/68/564462268.db2.gz JJKFQDDPQHSSMA-AAEUAGOBSA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123816132 564462272 /nfs/dbraw/zinc/46/22/72/564462272.db2.gz JJKFQDDPQHSSMA-AAEUAGOBSA-N 2 2 375.847 3.294 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478351 564833045 /nfs/dbraw/zinc/83/30/45/564833045.db2.gz CLUINTGQHDSLSZ-LPHOPBHVSA-N 2 2 386.367 3.129 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135478351 564833048 /nfs/dbraw/zinc/83/30/48/564833048.db2.gz CLUINTGQHDSLSZ-LPHOPBHVSA-N 2 2 386.367 3.129 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000093142430 564885077 /nfs/dbraw/zinc/88/50/77/564885077.db2.gz SNIOMOUFFWGCQK-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000093143047 564885373 /nfs/dbraw/zinc/88/53/73/564885373.db2.gz FEEUISUXSCCNHY-UHFFFAOYSA-N 2 2 384.351 3.370 10 0 GGAELP O[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151303914 564914290 /nfs/dbraw/zinc/91/42/90/564914290.db2.gz XVTFZJNHDBJLEB-GOEBONIOSA-N 2 2 385.371 3.422 10 0 GGAELP O[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCCC1 ZINC000151303979 564914429 /nfs/dbraw/zinc/91/44/29/564914429.db2.gz XVTFZJNHDBJLEB-HOCLYGCPSA-N 2 2 385.371 3.422 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000105072951 564962741 /nfs/dbraw/zinc/96/27/41/564962741.db2.gz DFJNFQQRNSPLTL-UHFFFAOYSA-N 2 2 387.355 3.161 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000105072951 564962744 /nfs/dbraw/zinc/96/27/44/564962744.db2.gz DFJNFQQRNSPLTL-UHFFFAOYSA-N 2 2 387.355 3.161 10 0 GGAELP C[N@H+](Cc1ccccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130883 564978957 /nfs/dbraw/zinc/97/89/57/564978957.db2.gz GBMJWYXWJSZMFX-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP C[N@@H+](Cc1ccccc1Br)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130883 564978961 /nfs/dbraw/zinc/97/89/61/564978961.db2.gz GBMJWYXWJSZMFX-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000106217247 564980655 /nfs/dbraw/zinc/98/06/55/564980655.db2.gz PJCXWOYXICSSCI-INIZCTEOSA-N 2 2 391.313 3.484 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000106217247 564980659 /nfs/dbraw/zinc/98/06/59/564980659.db2.gz PJCXWOYXICSSCI-INIZCTEOSA-N 2 2 391.313 3.484 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231353 565051447 /nfs/dbraw/zinc/05/14/47/565051447.db2.gz GTMWPPBMBCRSLP-KRWDZBQOSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000111231353 565051449 /nfs/dbraw/zinc/05/14/49/565051449.db2.gz GTMWPPBMBCRSLP-KRWDZBQOSA-N 2 2 386.367 3.474 10 0 GGAELP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000183615861 565082468 /nfs/dbraw/zinc/08/24/68/565082468.db2.gz RSAVGPHZZCGMLL-AWEZNQCLSA-N 2 2 376.492 3.072 10 0 GGAELP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000183615861 565082475 /nfs/dbraw/zinc/08/24/75/565082475.db2.gz RSAVGPHZZCGMLL-AWEZNQCLSA-N 2 2 376.492 3.072 10 0 GGAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc(Br)cc1F ZINC000369346717 565088438 /nfs/dbraw/zinc/08/84/38/565088438.db2.gz VCAGRBKIPFTAAH-UHFFFAOYSA-N 2 2 381.249 3.129 10 0 GGAELP C[NH+]1CCC(CNC(=O)c2nc(Cl)ccc2Cl)([NH+]2CCCCC2)CC1 ZINC000369645104 565103501 /nfs/dbraw/zinc/10/35/01/565103501.db2.gz COMRPJBAPNJRLQ-UHFFFAOYSA-N 2 2 385.339 3.069 10 0 GGAELP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831397 565163568 /nfs/dbraw/zinc/16/35/68/565163568.db2.gz USHPUTYQBIWURG-LBPRGKRZSA-N 2 2 376.353 3.295 10 0 GGAELP CN(C(=O)c1cc(Cl)sc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831397 565163570 /nfs/dbraw/zinc/16/35/70/565163570.db2.gz USHPUTYQBIWURG-LBPRGKRZSA-N 2 2 376.353 3.295 10 0 GGAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184233 /nfs/dbraw/zinc/18/42/33/565184233.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 2 391.313 3.415 10 0 GGAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184238 /nfs/dbraw/zinc/18/42/38/565184238.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184239 /nfs/dbraw/zinc/18/42/39/565184239.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 2 391.313 3.415 10 0 GGAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184242 /nfs/dbraw/zinc/18/42/42/565184242.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 2 391.313 3.415 10 0 GGAELP C[C@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836406 565186948 /nfs/dbraw/zinc/18/69/48/565186948.db2.gz QECSLLIXUWWOFC-SJCJKPOMSA-N 2 2 382.277 3.398 10 0 GGAELP C[C@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836406 565186953 /nfs/dbraw/zinc/18/69/53/565186953.db2.gz QECSLLIXUWWOFC-SJCJKPOMSA-N 2 2 382.277 3.398 10 0 GGAELP C[C@@](O)(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836410 565187473 /nfs/dbraw/zinc/18/74/73/565187473.db2.gz QECSLLIXUWWOFC-SJKOYZFVSA-N 2 2 382.277 3.398 10 0 GGAELP C[C@@](O)(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1F ZINC000293836410 565187478 /nfs/dbraw/zinc/18/74/78/565187478.db2.gz QECSLLIXUWWOFC-SJKOYZFVSA-N 2 2 382.277 3.398 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116789 565241049 /nfs/dbraw/zinc/24/10/49/565241049.db2.gz RAEVKBDXWMMJKN-KDOFPFPSSA-N 2 2 375.314 3.260 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186116789 565241054 /nfs/dbraw/zinc/24/10/54/565241054.db2.gz RAEVKBDXWMMJKN-KDOFPFPSSA-N 2 2 375.314 3.260 10 0 GGAELP Brc1ccc([C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105167 565241413 /nfs/dbraw/zinc/24/14/13/565241413.db2.gz MFSGABCZFXSWNE-AUUYWEPGSA-N 2 2 387.325 3.402 10 0 GGAELP Brc1ccc([C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105167 565241416 /nfs/dbraw/zinc/24/14/16/565241416.db2.gz MFSGABCZFXSWNE-AUUYWEPGSA-N 2 2 387.325 3.402 10 0 GGAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ncc(Br)cc1F ZINC000186988525 565300410 /nfs/dbraw/zinc/30/04/10/565300410.db2.gz DNLFDMHIHSLGPZ-LLVKDONJSA-N 2 2 376.233 3.415 10 0 GGAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ncc(Br)cc1F ZINC000186988503 565300445 /nfs/dbraw/zinc/30/04/45/565300445.db2.gz DNLFDMHIHSLGPZ-NSHDSACASA-N 2 2 376.233 3.415 10 0 GGAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc(Br)cc1 ZINC000374212586 565325038 /nfs/dbraw/zinc/32/50/38/565325038.db2.gz QSMCQHUTKNNWCC-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP Brc1ccc(-c2nnc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)o2)o1 ZINC000374201644 565325198 /nfs/dbraw/zinc/32/51/98/565325198.db2.gz WNQQVHFCIWDSTR-UHFFFAOYSA-N 2 2 378.230 3.195 10 0 GGAELP C[C@@H](NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(Br)cc1 ZINC000374198561 565325959 /nfs/dbraw/zinc/32/59/59/565325959.db2.gz OQTOEFNYQOFWTD-CYBMUJFWSA-N 2 2 391.313 3.229 10 0 GGAELP C[NH+]1CCC(CNC(=O)c2cccc(Br)c2)([NH+]2CCCCC2)CC1 ZINC000172753385 565502157 /nfs/dbraw/zinc/50/21/57/565502157.db2.gz ZGNXZZBXHNLVRE-UHFFFAOYSA-N 2 2 394.357 3.129 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000383871738 565544349 /nfs/dbraw/zinc/54/43/49/565544349.db2.gz HWZMOENBHDMWKG-JFIYKMOQSA-N 2 2 389.341 3.183 10 0 GGAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000383871738 565544350 /nfs/dbraw/zinc/54/43/50/565544350.db2.gz HWZMOENBHDMWKG-JFIYKMOQSA-N 2 2 389.341 3.183 10 0 GGAELP C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278710266 565574036 /nfs/dbraw/zinc/57/40/36/565574036.db2.gz KHXCKBVAJKUZAB-HOCLYGCPSA-N 2 2 377.330 3.183 10 0 GGAELP C[C@H]([NH2+]Cc1c(Br)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710266 565574044 /nfs/dbraw/zinc/57/40/44/565574044.db2.gz KHXCKBVAJKUZAB-HOCLYGCPSA-N 2 2 377.330 3.183 10 0 GGAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3I)C[C@@H]12 ZINC000405546214 565587146 /nfs/dbraw/zinc/58/71/46/565587146.db2.gz WLIXQLOXJQGLSV-GAJTVXKRSA-N 2 2 376.669 3.114 10 0 GGAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3I)C[C@@H]12 ZINC000405546214 565587149 /nfs/dbraw/zinc/58/71/49/565587149.db2.gz WLIXQLOXJQGLSV-GAJTVXKRSA-N 2 2 376.669 3.114 10 0 GGAELP Ic1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000314517620 565587700 /nfs/dbraw/zinc/58/77/00/565587700.db2.gz JVPKEPFWAIUBAG-UHFFFAOYSA-N 2 2 393.272 3.445 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293468 565605524 /nfs/dbraw/zinc/60/55/24/565605524.db2.gz KTWUEWFJWCTJJR-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321293468 565605529 /nfs/dbraw/zinc/60/55/29/565605529.db2.gz KTWUEWFJWCTJJR-WMLDXEAASA-N 2 2 380.330 3.160 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827381 565606976 /nfs/dbraw/zinc/60/69/76/565606976.db2.gz BQKYAKRTTIIXMK-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(Br)c1O ZINC000321827381 565606977 /nfs/dbraw/zinc/60/69/77/565606977.db2.gz BQKYAKRTTIIXMK-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(Br)c1O ZINC000321827381 565606983 /nfs/dbraw/zinc/60/69/83/565606983.db2.gz BQKYAKRTTIIXMK-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(Br)c1O ZINC000321827381 565606988 /nfs/dbraw/zinc/60/69/88/565606988.db2.gz BQKYAKRTTIIXMK-ZBFHGGJFSA-N 2 2 383.330 3.470 10 0 GGAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595746 565618962 /nfs/dbraw/zinc/61/89/62/565618962.db2.gz FUZCMKLPHAIIIZ-QILLFSRXSA-N 2 2 394.357 3.090 10 0 GGAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595746 565618965 /nfs/dbraw/zinc/61/89/65/565618965.db2.gz FUZCMKLPHAIIIZ-QILLFSRXSA-N 2 2 394.357 3.090 10 0 GGAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595748 565619336 /nfs/dbraw/zinc/61/93/36/565619336.db2.gz FUZCMKLPHAIIIZ-ZVZYQTTQSA-N 2 2 394.357 3.090 10 0 GGAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000324595748 565619341 /nfs/dbraw/zinc/61/93/41/565619341.db2.gz FUZCMKLPHAIIIZ-ZVZYQTTQSA-N 2 2 394.357 3.090 10 0 GGAELP Brc1ccc(C[N@@H+](CCc2ccccn2)CCn2cc[nH+]c2)o1 ZINC000411720724 565748157 /nfs/dbraw/zinc/74/81/57/565748157.db2.gz NOKIFJRVUGDMDQ-UHFFFAOYSA-N 2 2 375.270 3.379 10 0 GGAELP Brc1ccc(C[N@H+](CCc2ccccn2)CCn2cc[nH+]c2)o1 ZINC000411720724 565748162 /nfs/dbraw/zinc/74/81/62/565748162.db2.gz NOKIFJRVUGDMDQ-UHFFFAOYSA-N 2 2 375.270 3.379 10 0 GGAELP Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282830079 565799589 /nfs/dbraw/zinc/79/95/89/565799589.db2.gz USMDIVUWBDYXNV-CYBMUJFWSA-N 2 2 378.318 3.095 10 0 GGAELP Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282830079 565799596 /nfs/dbraw/zinc/79/95/96/565799596.db2.gz USMDIVUWBDYXNV-CYBMUJFWSA-N 2 2 378.318 3.095 10 0 GGAELP CN(C)c1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH+]cc1Br ZINC000333706799 565893783 /nfs/dbraw/zinc/89/37/83/565893783.db2.gz SEHJZWFZAXDFST-YHWZYXNKSA-N 2 2 396.333 3.047 10 0 GGAELP CN(C)c1cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH+]cc1Br ZINC000333706799 565893787 /nfs/dbraw/zinc/89/37/87/565893787.db2.gz SEHJZWFZAXDFST-YHWZYXNKSA-N 2 2 396.333 3.047 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1Br ZINC000178328392 565911817 /nfs/dbraw/zinc/91/18/17/565911817.db2.gz GNOPACSRLRFKOW-ZFWWWQNUSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1Br ZINC000178328392 565911820 /nfs/dbraw/zinc/91/18/20/565911820.db2.gz GNOPACSRLRFKOW-ZFWWWQNUSA-N 2 2 391.313 3.446 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000178332728 565913597 /nfs/dbraw/zinc/91/35/97/565913597.db2.gz VUWLMUZAATWXBW-GFCCVEGCSA-N 2 2 392.257 3.262 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Br)o2)o1 ZINC000178332728 565913600 /nfs/dbraw/zinc/91/36/00/565913600.db2.gz VUWLMUZAATWXBW-GFCCVEGCSA-N 2 2 392.257 3.262 10 0 GGAELP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000414375176 565918614 /nfs/dbraw/zinc/91/86/14/565918614.db2.gz DWTRDSJPUDCLTC-LJQANCHMSA-N 2 2 390.325 3.132 10 0 GGAELP OC1CC[NH+](CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178520518 565922876 /nfs/dbraw/zinc/92/28/76/565922876.db2.gz LVXYCTNNKXUSOP-KRWDZBQOSA-N 2 2 383.330 3.099 10 0 GGAELP C[C@H](C[NH2+][C@@H]1CCCOc2ccc(Br)cc21)C[NH+]1CCOCC1 ZINC000178522599 565924528 /nfs/dbraw/zinc/92/45/28/565924528.db2.gz AKJHKAOWDVPKPF-RHSMWYFYSA-N 2 2 383.330 3.221 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750028 565936835 /nfs/dbraw/zinc/93/68/35/565936835.db2.gz MKIBFVQBRBBPIU-MRXNPFEDSA-N 2 2 377.286 3.057 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000178750028 565936838 /nfs/dbraw/zinc/93/68/38/565936838.db2.gz MKIBFVQBRBBPIU-MRXNPFEDSA-N 2 2 377.286 3.057 10 0 GGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc(Br)c1OC(F)F ZINC000237242333 565954336 /nfs/dbraw/zinc/95/43/36/565954336.db2.gz SZGXPGDGNHLIMD-NSHDSACASA-N 2 2 379.245 3.243 10 0 GGAELP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc(Br)c1OC(F)F ZINC000237242333 565954343 /nfs/dbraw/zinc/95/43/43/565954343.db2.gz SZGXPGDGNHLIMD-NSHDSACASA-N 2 2 379.245 3.243 10 0 GGAELP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414746683 565958153 /nfs/dbraw/zinc/95/81/53/565958153.db2.gz LXBYJKDHVXDNSQ-HNNXBMFYSA-N 2 2 382.346 3.473 10 0 GGAELP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccccc1 ZINC000414825975 565962459 /nfs/dbraw/zinc/96/24/59/565962459.db2.gz DKUNQCAWAKFMSN-SFHVURJKSA-N 2 2 390.325 3.075 10 0 GGAELP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc(Br)c1OC(F)F ZINC000414910941 565965605 /nfs/dbraw/zinc/96/56/05/565965605.db2.gz CXNNXPGQPOAUTE-JOYOIKCWSA-N 2 2 379.245 3.147 10 0 GGAELP Brc1ccc(-c2ncc(C[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000415032772 565970968 /nfs/dbraw/zinc/97/09/68/565970968.db2.gz GPBJAIYRNSQHIN-CQSZACIVSA-N 2 2 382.327 3.041 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059494 565971986 /nfs/dbraw/zinc/97/19/86/565971986.db2.gz XAPQYEFLDRACBY-BBRMVZONSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415059494 565971990 /nfs/dbraw/zinc/97/19/90/565971990.db2.gz XAPQYEFLDRACBY-BBRMVZONSA-N 2 2 383.330 3.430 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245790446 566005824 /nfs/dbraw/zinc/00/58/24/566005824.db2.gz NPZKQTZYPDYYCY-DOTOQJQBSA-N 2 2 391.313 3.072 10 0 GGAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245790446 566005832 /nfs/dbraw/zinc/00/58/32/566005832.db2.gz NPZKQTZYPDYYCY-DOTOQJQBSA-N 2 2 391.313 3.072 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245790451 566006524 /nfs/dbraw/zinc/00/65/24/566006524.db2.gz NPZKQTZYPDYYCY-NVXWUHKLSA-N 2 2 391.313 3.072 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245790451 566006527 /nfs/dbraw/zinc/00/65/27/566006527.db2.gz NPZKQTZYPDYYCY-NVXWUHKLSA-N 2 2 391.313 3.072 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059430 /nfs/dbraw/zinc/05/94/30/566059430.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059434 /nfs/dbraw/zinc/05/94/34/566059434.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059437 /nfs/dbraw/zinc/05/94/37/566059437.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059442 /nfs/dbraw/zinc/05/94/42/566059442.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 2 396.373 3.070 10 0 GGAELP C[N@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709278 566130769 /nfs/dbraw/zinc/13/07/69/566130769.db2.gz DIRJNDSGQOQNTP-VQIMIIECSA-N 2 2 397.357 3.438 10 0 GGAELP C[N@@H+](Cc1cccc(Br)c1OC[C@H]1CCCO1)C[C@]1(C)CC[NH2+]C1 ZINC000261709278 566130770 /nfs/dbraw/zinc/13/07/70/566130770.db2.gz DIRJNDSGQOQNTP-VQIMIIECSA-N 2 2 397.357 3.438 10 0 GGAELP Cn1ccnc1C[N@H+](Cc1cccc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262194588 566148532 /nfs/dbraw/zinc/14/85/32/566148532.db2.gz ZCGCSSBUKJDXDP-KRWDZBQOSA-N 2 2 389.341 3.327 10 0 GGAELP Cn1ccnc1C[N@@H+](Cc1cccc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000262194588 566148533 /nfs/dbraw/zinc/14/85/33/566148533.db2.gz ZCGCSSBUKJDXDP-KRWDZBQOSA-N 2 2 389.341 3.327 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368080677 566229495 /nfs/dbraw/zinc/22/94/95/566229495.db2.gz GUOJNTRYWDAEJG-HNNXBMFYSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368080677 566229500 /nfs/dbraw/zinc/22/95/00/566229500.db2.gz GUOJNTRYWDAEJG-HNNXBMFYSA-N 2 2 386.297 3.313 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098955 566230597 /nfs/dbraw/zinc/23/05/97/566230597.db2.gz DHRHBFZDVMRQRX-RISCZKNCSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098955 566230600 /nfs/dbraw/zinc/23/06/00/566230600.db2.gz DHRHBFZDVMRQRX-RISCZKNCSA-N 2 2 377.286 3.036 10 0 GGAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccccc1Br ZINC000265468039 566237517 /nfs/dbraw/zinc/23/75/17/566237517.db2.gz HIRBEBWOVWTQCH-UHFFFAOYSA-N 2 2 377.286 3.380 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784778 566267447 /nfs/dbraw/zinc/26/74/47/566267447.db2.gz IAQQHYJNDXDVSW-GOSISDBHSA-N 2 2 395.341 3.268 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2=Cc3cc(Br)ccc3OC2)CCO1 ZINC000668784778 566267457 /nfs/dbraw/zinc/26/74/57/566267457.db2.gz IAQQHYJNDXDVSW-GOSISDBHSA-N 2 2 395.341 3.268 10 0 GGAELP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386436 566276379 /nfs/dbraw/zinc/27/63/79/566276379.db2.gz FVWMHFZHWVRFOH-DZGCQCFKSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386436 566276380 /nfs/dbraw/zinc/27/63/80/566276380.db2.gz FVWMHFZHWVRFOH-DZGCQCFKSA-N 2 2 383.330 3.430 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393569 566276887 /nfs/dbraw/zinc/27/68/87/566276887.db2.gz JYMGSCVOZGYWHB-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420393569 566276892 /nfs/dbraw/zinc/27/68/92/566276892.db2.gz JYMGSCVOZGYWHB-RHSMWYFYSA-N 2 2 380.330 3.160 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420380556 566277088 /nfs/dbraw/zinc/27/70/88/566277088.db2.gz CEKDOQZZCPJDGH-CZUORRHYSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420380556 566277092 /nfs/dbraw/zinc/27/70/92/566277092.db2.gz CEKDOQZZCPJDGH-CZUORRHYSA-N 2 2 381.314 3.184 10 0 GGAELP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386443 566277115 /nfs/dbraw/zinc/27/71/15/566277115.db2.gz FVWMHFZHWVRFOH-ZFWWWQNUSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(Br)c1OC ZINC000420386443 566277118 /nfs/dbraw/zinc/27/71/18/566277118.db2.gz FVWMHFZHWVRFOH-ZFWWWQNUSA-N 2 2 383.330 3.430 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000556246225 566277549 /nfs/dbraw/zinc/27/75/49/566277549.db2.gz ITFOXJIVDWCTDW-ZRGWGRIASA-N 2 2 392.341 3.280 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000556246218 566278338 /nfs/dbraw/zinc/27/83/38/566278338.db2.gz ITFOXJIVDWCTDW-CLCXKQKWSA-N 2 2 392.341 3.280 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247089 566295548 /nfs/dbraw/zinc/29/55/48/566295548.db2.gz RIEHRKBHRZXAIF-RDJZCZTQSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482247089 566295552 /nfs/dbraw/zinc/29/55/52/566295552.db2.gz RIEHRKBHRZXAIF-RDJZCZTQSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000482241773 566295843 /nfs/dbraw/zinc/29/58/43/566295843.db2.gz JFVGFAURTGPOAA-KGLIPLIRSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1I ZINC000482241773 566295840 /nfs/dbraw/zinc/29/58/40/566295840.db2.gz JFVGFAURTGPOAA-KGLIPLIRSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000482240442 566296662 /nfs/dbraw/zinc/29/66/62/566296662.db2.gz GFPGHYXHMZYWRC-XJKSGUPXSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000482240442 566296674 /nfs/dbraw/zinc/29/66/74/566296674.db2.gz GFPGHYXHMZYWRC-XJKSGUPXSA-N 2 2 388.293 3.053 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000625258845 566300439 /nfs/dbraw/zinc/30/04/39/566300439.db2.gz AJVPNWXCALAVQW-KRWDZBQOSA-N 2 2 389.297 3.305 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000625258845 566300443 /nfs/dbraw/zinc/30/04/43/566300443.db2.gz AJVPNWXCALAVQW-KRWDZBQOSA-N 2 2 389.297 3.305 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871587 566462786 /nfs/dbraw/zinc/46/27/86/566462786.db2.gz DEAKSGRXOZLQKJ-NJZAAPMLSA-N 2 2 376.854 3.453 10 0 GGAELP Brc1cccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)c1 ZINC000422742332 566462970 /nfs/dbraw/zinc/46/29/70/566462970.db2.gz RLQDBEDZBJPIEP-ZWKOTPCHSA-N 2 2 379.342 3.227 10 0 GGAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Sc1ccc(Br)cc1 ZINC000422952274 566467538 /nfs/dbraw/zinc/46/75/38/566467538.db2.gz BZZVCIYCYCMQPM-JLZZUVOBSA-N 2 2 385.371 3.286 10 0 GGAELP Fc1ccc([C@H]2C[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1Br ZINC000423093481 566474891 /nfs/dbraw/zinc/47/48/91/566474891.db2.gz HRWGFDAGGITRLA-DFEHZGFQSA-N 2 2 383.305 3.191 10 0 GGAELP Brc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)s1 ZINC000423105110 566477289 /nfs/dbraw/zinc/47/72/89/566477289.db2.gz NDEFAYLSYJBKFH-CJNGLKHVSA-N 2 2 385.371 3.289 10 0 GGAELP COc1ccc([C@@H]([NH2+]CCCn2cc(Br)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423125181 566477350 /nfs/dbraw/zinc/47/73/50/566477350.db2.gz NFFMGCFWWSHLPZ-ZWKOTPCHSA-N 2 2 393.329 3.127 10 0 GGAELP Brc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423134840 566478301 /nfs/dbraw/zinc/47/83/01/566478301.db2.gz SGKSCMNCAKJZLN-MSOLQXFVSA-N 2 2 379.342 3.227 10 0 GGAELP Brc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423134841 566478529 /nfs/dbraw/zinc/47/85/29/566478529.db2.gz SGKSCMNCAKJZLN-QZTJIDSGSA-N 2 2 379.342 3.227 10 0 GGAELP Brc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423134843 566478938 /nfs/dbraw/zinc/47/89/38/566478938.db2.gz SGKSCMNCAKJZLN-ZWKOTPCHSA-N 2 2 379.342 3.227 10 0 GGAELP Fc1ccc(Br)c2c1CC[C@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233091 566482631 /nfs/dbraw/zinc/48/26/31/566482631.db2.gz NWYOPXGKLXSJHH-MRXNPFEDSA-N 2 2 391.288 3.492 10 0 GGAELP CC(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)cc1 ZINC000423236523 566484947 /nfs/dbraw/zinc/48/49/47/566484947.db2.gz HLPFGAHIIHRNQG-KDOFPFPSSA-N 2 2 392.341 3.412 10 0 GGAELP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1Br ZINC000423515300 566492417 /nfs/dbraw/zinc/49/24/17/566492417.db2.gz NATYVPFYXKJMOC-PWSUYJOCSA-N 2 2 392.135 3.241 10 0 GGAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000424190867 566517626 /nfs/dbraw/zinc/51/76/26/566517626.db2.gz MYKJHPKNGZXDNT-INIZCTEOSA-N 2 2 377.286 3.122 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449116558 566530044 /nfs/dbraw/zinc/53/00/44/566530044.db2.gz LWGVAUMTPVPNKI-HNNXBMFYSA-N 2 2 378.314 3.198 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449116558 566530046 /nfs/dbraw/zinc/53/00/46/566530046.db2.gz LWGVAUMTPVPNKI-HNNXBMFYSA-N 2 2 378.314 3.198 10 0 GGAELP Brc1cc2c(cc1C[NH+]1CCC(c3c[nH+]c[nH]3)CC1)OCCO2 ZINC000674372926 566588990 /nfs/dbraw/zinc/58/89/90/566588990.db2.gz ILUCJDKPJFWKJV-UHFFFAOYSA-N 2 2 378.270 3.323 10 0 GGAELP Brc1cc2c(cc1C[NH+]1CCC(c3c[nH]c[nH+]3)CC1)OCCO2 ZINC000674372926 566588996 /nfs/dbraw/zinc/58/89/96/566588996.db2.gz ILUCJDKPJFWKJV-UHFFFAOYSA-N 2 2 378.270 3.323 10 0 GGAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222216 566597736 /nfs/dbraw/zinc/59/77/36/566597736.db2.gz IAIYDMXKQZPJFM-LBPRGKRZSA-N 2 2 396.384 3.269 10 0 GGAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000652222216 566597741 /nfs/dbraw/zinc/59/77/41/566597741.db2.gz IAIYDMXKQZPJFM-LBPRGKRZSA-N 2 2 396.384 3.269 10 0 GGAELP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000628969145 566600285 /nfs/dbraw/zinc/60/02/85/566600285.db2.gz OJTNCJSGYRLUOV-BLLLJJGKSA-N 2 2 390.380 3.150 10 0 GGAELP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+]1CCSCC1 ZINC000628969151 566601122 /nfs/dbraw/zinc/60/11/22/566601122.db2.gz OJTNCJSGYRLUOV-MLGOLLRUSA-N 2 2 390.380 3.150 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000560261279 566611112 /nfs/dbraw/zinc/61/11/12/566611112.db2.gz UBMHHGXTZGFCMJ-UHFFFAOYSA-N 2 2 378.270 3.338 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(Br)c1 ZINC000513647434 566616039 /nfs/dbraw/zinc/61/60/39/566616039.db2.gz JEWWJJYEGCYXKJ-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(Br)c1 ZINC000513647434 566616042 /nfs/dbraw/zinc/61/60/42/566616042.db2.gz JEWWJJYEGCYXKJ-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1Br ZINC000513707432 566617774 /nfs/dbraw/zinc/61/77/74/566617774.db2.gz CUKLNOGKFJURGM-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1Br ZINC000513707432 566617782 /nfs/dbraw/zinc/61/77/82/566617782.db2.gz CUKLNOGKFJURGM-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP COc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396165 566653280 /nfs/dbraw/zinc/65/32/80/566653280.db2.gz JJFHSPKJZDLBGN-KOLCDFICSA-N 2 2 379.245 3.289 10 0 GGAELP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc(Br)c1OC(F)F ZINC000629406994 566654265 /nfs/dbraw/zinc/65/42/65/566654265.db2.gz SYWYEOCSGRUBMF-JOYOIKCWSA-N 2 2 379.245 3.289 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000487264046 566660519 /nfs/dbraw/zinc/66/05/19/566660519.db2.gz FZWFONJQNMMPFF-BLLLJJGKSA-N 2 2 383.359 3.417 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000487264046 566660522 /nfs/dbraw/zinc/66/05/22/566660522.db2.gz FZWFONJQNMMPFF-BLLLJJGKSA-N 2 2 383.359 3.417 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000487264049 566660685 /nfs/dbraw/zinc/66/06/85/566660685.db2.gz FZWFONJQNMMPFF-LRDDRELGSA-N 2 2 383.359 3.417 10 0 GGAELP Cn1ncc(Br)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000487264049 566660687 /nfs/dbraw/zinc/66/06/87/566660687.db2.gz FZWFONJQNMMPFF-LRDDRELGSA-N 2 2 383.359 3.417 10 0 GGAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1Br ZINC000629524205 566663980 /nfs/dbraw/zinc/66/39/80/566663980.db2.gz NQQSIIAIYDCIML-JTQLQIEISA-N 2 2 392.135 3.370 10 0 GGAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629524351 566664129 /nfs/dbraw/zinc/66/41/29/566664129.db2.gz PEGVDPZWIFNJSW-IAGOWNOFSA-N 2 2 376.298 3.436 10 0 GGAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629524353 566664633 /nfs/dbraw/zinc/66/46/33/566664633.db2.gz PEGVDPZWIFNJSW-SJORKVTESA-N 2 2 376.298 3.436 10 0 GGAELP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594095 566671418 /nfs/dbraw/zinc/67/14/18/566671418.db2.gz JQWHWCNYIDMPRQ-ZBFHGGJFSA-N 2 2 385.371 3.421 10 0 GGAELP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594095 566671419 /nfs/dbraw/zinc/67/14/19/566671419.db2.gz JQWHWCNYIDMPRQ-ZBFHGGJFSA-N 2 2 385.371 3.421 10 0 GGAELP O=C(CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603269 566672190 /nfs/dbraw/zinc/67/21/90/566672190.db2.gz LSIOTVNPMLZAJK-QGZVFWFLSA-N 2 2 380.330 3.384 10 0 GGAELP O=C(CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603269 566672201 /nfs/dbraw/zinc/67/22/01/566672201.db2.gz LSIOTVNPMLZAJK-QGZVFWFLSA-N 2 2 380.330 3.384 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3cccc(Br)c3C2)CC1 ZINC000653835115 566697200 /nfs/dbraw/zinc/69/72/00/566697200.db2.gz FSJSETYCJWQHMH-UHFFFAOYSA-N 2 2 396.373 3.060 10 0 GGAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCOc3cccc(Br)c3C2)CC1 ZINC000653835115 566697207 /nfs/dbraw/zinc/69/72/07/566697207.db2.gz FSJSETYCJWQHMH-UHFFFAOYSA-N 2 2 396.373 3.060 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1Br ZINC000541226421 566704106 /nfs/dbraw/zinc/70/41/06/566704106.db2.gz FRDNQUISXFGMHO-CJNGLKHVSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1sccc1Br ZINC000541226026 566705050 /nfs/dbraw/zinc/70/50/50/566705050.db2.gz QPZADBDGVKQEJC-DGCLKSJQSA-N 2 2 397.342 3.086 10 0 GGAELP CO[C@@H](CC[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)C(F)(F)F ZINC000468601642 566713339 /nfs/dbraw/zinc/71/33/39/566713339.db2.gz VOLYMGKANRGTHN-LBPRGKRZSA-N 2 2 380.208 3.462 10 0 GGAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2Cl)C1=O ZINC000580929616 566736347 /nfs/dbraw/zinc/73/63/47/566736347.db2.gz FVTVLMZMAFPKGS-CYBMUJFWSA-N 2 2 385.270 3.147 10 0 GGAELP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581129926 566752590 /nfs/dbraw/zinc/75/25/90/566752590.db2.gz CWFQXFWAPVHLPM-QAPCUYQASA-N 2 2 394.357 3.092 10 0 GGAELP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccc(Br)cn3)CC2)c[nH+]1 ZINC000542134262 566776411 /nfs/dbraw/zinc/77/64/11/566776411.db2.gz LJPVXUAZCPZLCX-UHFFFAOYSA-N 2 2 389.297 3.366 10 0 GGAELP CC(C)OCC[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631083804 566777519 /nfs/dbraw/zinc/77/75/19/566777519.db2.gz RJKQWURJSUWVPC-UHFFFAOYSA-N 2 2 390.753 3.477 10 0 GGAELP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000581487656 566781347 /nfs/dbraw/zinc/78/13/47/566781347.db2.gz ZKVHMEPQGLPMHF-QGZVFWFLSA-N 2 2 376.298 3.458 10 0 GGAELP COC(=O)C(C)(C)[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000489893715 566816451 /nfs/dbraw/zinc/81/64/51/566816451.db2.gz XDPYAFLAHTZINF-UHFFFAOYSA-N 2 2 392.297 3.071 10 0 GGAELP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000562910070 566833431 /nfs/dbraw/zinc/83/34/31/566833431.db2.gz XIAVXHBKJIDIMX-UHFFFAOYSA-N 2 2 377.476 3.405 10 0 GGAELP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000655775629 566846898 /nfs/dbraw/zinc/84/68/98/566846898.db2.gz AWEUCLRQGBDKEU-AWEZNQCLSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000655775629 566846901 /nfs/dbraw/zinc/84/69/01/566846901.db2.gz AWEUCLRQGBDKEU-AWEZNQCLSA-N 2 2 386.297 3.313 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679336584 566850031 /nfs/dbraw/zinc/85/00/31/566850031.db2.gz AJVGPDLZGZBUMA-GUDVDZBRSA-N 2 2 397.357 3.370 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679336584 566850036 /nfs/dbraw/zinc/85/00/36/566850036.db2.gz AJVGPDLZGZBUMA-GUDVDZBRSA-N 2 2 397.357 3.370 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563136176 566858253 /nfs/dbraw/zinc/85/82/53/566858253.db2.gz FDHVDEOONMLEAB-IBGZPJMESA-N 2 2 397.357 3.440 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563136176 566858257 /nfs/dbraw/zinc/85/82/57/566858257.db2.gz FDHVDEOONMLEAB-IBGZPJMESA-N 2 2 397.357 3.440 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563136177 566858818 /nfs/dbraw/zinc/85/88/18/566858818.db2.gz FDHVDEOONMLEAB-LJQANCHMSA-N 2 2 397.357 3.440 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563136177 566858820 /nfs/dbraw/zinc/85/88/20/566858820.db2.gz FDHVDEOONMLEAB-LJQANCHMSA-N 2 2 397.357 3.440 10 0 GGAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000655949285 566860640 /nfs/dbraw/zinc/86/06/40/566860640.db2.gz SGECKZJSLXPEIJ-OAHLLOKOSA-N 2 2 391.309 3.395 10 0 GGAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOc3cccc(Br)c3C2)cc1 ZINC000655949285 566860645 /nfs/dbraw/zinc/86/06/45/566860645.db2.gz SGECKZJSLXPEIJ-OAHLLOKOSA-N 2 2 391.309 3.395 10 0 GGAELP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000656250285 566887493 /nfs/dbraw/zinc/88/74/93/566887493.db2.gz LMXHNEOUKPYQGM-UHFFFAOYSA-N 2 2 377.330 3.469 10 0 GGAELP C[NH2+]CC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000582843902 566898742 /nfs/dbraw/zinc/89/87/42/566898742.db2.gz GGRXKJUFDLPMLA-GOSISDBHSA-N 2 2 394.357 3.044 10 0 GGAELP C[NH2+]CC1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000582843903 566898761 /nfs/dbraw/zinc/89/87/61/566898761.db2.gz GGRXKJUFDLPMLA-SFHVURJKSA-N 2 2 394.357 3.044 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005707 566899300 /nfs/dbraw/zinc/89/93/00/566899300.db2.gz SFAYJCKHCSRJEI-KSSFIOAISA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005707 566899309 /nfs/dbraw/zinc/89/93/09/566899309.db2.gz SFAYJCKHCSRJEI-KSSFIOAISA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005707 566899313 /nfs/dbraw/zinc/89/93/13/566899313.db2.gz SFAYJCKHCSRJEI-KSSFIOAISA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000429005707 566899318 /nfs/dbraw/zinc/89/93/18/566899318.db2.gz SFAYJCKHCSRJEI-KSSFIOAISA-N 2 2 380.330 3.112 10 0 GGAELP COc1cc(Br)ccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000582896526 566904309 /nfs/dbraw/zinc/90/43/09/566904309.db2.gz DCLOOWLERUBHAO-UHFFFAOYSA-N 2 2 397.357 3.392 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000656716250 566936896 /nfs/dbraw/zinc/93/68/96/566936896.db2.gz UHIQJNUTDASVLH-HNNXBMFYSA-N 2 2 383.355 3.402 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)s1 ZINC000656716250 566936904 /nfs/dbraw/zinc/93/69/04/566936904.db2.gz UHIQJNUTDASVLH-HNNXBMFYSA-N 2 2 383.355 3.402 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227998 566938135 /nfs/dbraw/zinc/93/81/35/566938135.db2.gz QPLDTAZRKYJCPH-WMLDXEAASA-N 2 2 386.367 3.314 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227998 566938138 /nfs/dbraw/zinc/93/81/38/566938138.db2.gz QPLDTAZRKYJCPH-WMLDXEAASA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227998 566938144 /nfs/dbraw/zinc/93/81/44/566938144.db2.gz QPLDTAZRKYJCPH-WMLDXEAASA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227998 566938148 /nfs/dbraw/zinc/93/81/48/566938148.db2.gz QPLDTAZRKYJCPH-WMLDXEAASA-N 2 2 386.367 3.314 10 0 GGAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1F ZINC000656790202 566950219 /nfs/dbraw/zinc/95/02/19/566950219.db2.gz QUKIWXUMDKPISM-RDJZCZTQSA-N 2 2 394.288 3.227 10 0 GGAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1 ZINC000656790130 566950615 /nfs/dbraw/zinc/95/06/15/566950615.db2.gz KEXQANOWEIXMMB-OALUTQOASA-N 2 2 390.325 3.478 10 0 GGAELP Brc1ccc2[nH+]cc(CNc3ccc([C@@H]4C[NH2+]CCO4)cc3)n2c1 ZINC000656792025 566950827 /nfs/dbraw/zinc/95/08/27/566950827.db2.gz IHLAEOGHRUGIHV-KRWDZBQOSA-N 2 2 387.281 3.370 10 0 GGAELP CCC[C@H](CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000613552400 567044695 /nfs/dbraw/zinc/04/46/95/567044695.db2.gz GEFMUOXISVAKNF-RBSFLKMASA-N 2 2 384.351 3.145 10 0 GGAELP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(F)cncc2Br)cc1 ZINC000657315934 567046548 /nfs/dbraw/zinc/04/65/48/567046548.db2.gz UZMWNSRXFCLENC-UHFFFAOYSA-N 2 2 382.277 3.213 10 0 GGAELP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(F)cncc1Br ZINC000657337193 567049405 /nfs/dbraw/zinc/04/94/05/567049405.db2.gz LTXTZXDYAFSPAZ-UHFFFAOYSA-N 2 2 382.277 3.213 10 0 GGAELP Cc1cc(N2CCC([NH2+]Cc3c(F)cncc3Br)CC2)nc(C)[nH+]1 ZINC000657389039 567053639 /nfs/dbraw/zinc/05/36/39/567053639.db2.gz ISYYJGBJJWATDV-UHFFFAOYSA-N 2 2 394.292 3.149 10 0 GGAELP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266978 567068709 /nfs/dbraw/zinc/06/87/09/567068709.db2.gz OVHCDUNOUIZAEM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453266978 567068718 /nfs/dbraw/zinc/06/87/18/567068718.db2.gz OVHCDUNOUIZAEM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP COCCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1 ZINC000453254279 567069766 /nfs/dbraw/zinc/06/97/66/567069766.db2.gz DKXIGPMZRFSLDA-RTBURBONSA-N 2 2 399.373 3.353 10 0 GGAELP COCCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(Br)cc1 ZINC000453254279 567069769 /nfs/dbraw/zinc/06/97/69/567069769.db2.gz DKXIGPMZRFSLDA-RTBURBONSA-N 2 2 399.373 3.353 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270774 567071598 /nfs/dbraw/zinc/07/15/98/567071598.db2.gz SPEVSIAIPCVHHM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000453270774 567071599 /nfs/dbraw/zinc/07/15/99/567071599.db2.gz SPEVSIAIPCVHHM-DOTOQJQBSA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267755 567071667 /nfs/dbraw/zinc/07/16/67/567071667.db2.gz PQOPGQGLUMCLQM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453267755 567071671 /nfs/dbraw/zinc/07/16/71/567071671.db2.gz PQOPGQGLUMCLQM-WBVHZDCISA-N 2 2 383.330 3.099 10 0 GGAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CSCc3ccc(Br)cc32)n1C ZINC000657641413 567080303 /nfs/dbraw/zinc/08/03/03/567080303.db2.gz FCQIJBNQNSHNDE-HNNXBMFYSA-N 2 2 381.343 3.326 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000453566926 567090602 /nfs/dbraw/zinc/09/06/02/567090602.db2.gz GFNCGAWEOWFJGV-INIZCTEOSA-N 2 2 395.366 3.328 10 0 GGAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000453566926 567090608 /nfs/dbraw/zinc/09/06/08/567090608.db2.gz GFNCGAWEOWFJGV-INIZCTEOSA-N 2 2 395.366 3.328 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(F)cc1Cl ZINC000431827374 567110774 /nfs/dbraw/zinc/11/07/74/567110774.db2.gz DXAMGLUFIRUKCF-UHFFFAOYSA-N 2 2 376.303 3.231 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Cl)cc(F)cc1Cl ZINC000431827374 567110780 /nfs/dbraw/zinc/11/07/80/567110780.db2.gz DXAMGLUFIRUKCF-UHFFFAOYSA-N 2 2 376.303 3.231 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595832 567181464 /nfs/dbraw/zinc/18/14/64/567181464.db2.gz DTKHGCTWMOVIRY-QXSJWSMHSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595832 567181468 /nfs/dbraw/zinc/18/14/68/567181468.db2.gz DTKHGCTWMOVIRY-QXSJWSMHSA-N 2 2 383.989 3.426 10 0 GGAELP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[NH+](C2CCCCC2)CC1 ZINC000659316251 567203662 /nfs/dbraw/zinc/20/36/62/567203662.db2.gz HLEBJGAKFXBABV-UHFFFAOYSA-N 2 2 398.370 3.204 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588591 567259431 /nfs/dbraw/zinc/25/94/31/567259431.db2.gz AXVVKHGGJDDIMR-GOSISDBHSA-N 2 2 381.314 3.186 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH2+]C3)OCCCO2 ZINC000567588591 567259434 /nfs/dbraw/zinc/25/94/34/567259434.db2.gz AXVVKHGGJDDIMR-GOSISDBHSA-N 2 2 381.314 3.186 10 0 GGAELP COc1ccc(Br)cc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000475624977 567262177 /nfs/dbraw/zinc/26/21/77/567262177.db2.gz NDAFGFJAZGIGOX-UHFFFAOYSA-N 2 2 392.297 3.184 10 0 GGAELP COc1cc(C[N@H+](C)[C@H]2CCC[NH+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126321 567264181 /nfs/dbraw/zinc/26/41/81/567264181.db2.gz WEACJYPNZOHGKS-ZDUSSCGKSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126321 567264185 /nfs/dbraw/zinc/26/41/85/567264185.db2.gz WEACJYPNZOHGKS-ZDUSSCGKSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[NH+](C)[C@H]2CCC[N@H+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126321 567264189 /nfs/dbraw/zinc/26/41/89/567264189.db2.gz WEACJYPNZOHGKS-ZDUSSCGKSA-N 2 2 382.555 3.103 10 0 GGAELP COc1cc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3cc(OC)ns3)CC2)sn1 ZINC000660126321 567264192 /nfs/dbraw/zinc/26/41/92/567264192.db2.gz WEACJYPNZOHGKS-ZDUSSCGKSA-N 2 2 382.555 3.103 10 0 GGAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1Br ZINC000475630736 567264495 /nfs/dbraw/zinc/26/44/95/567264495.db2.gz ITYTYQGJRFKZOS-UHFFFAOYSA-N 2 2 392.297 3.184 10 0 GGAELP Fc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000591353249 567277723 /nfs/dbraw/zinc/27/77/23/567277723.db2.gz DTCCHRNGBRKPIQ-CQSZACIVSA-N 2 2 385.224 3.464 10 0 GGAELP Fc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000591353249 567277726 /nfs/dbraw/zinc/27/77/26/567277726.db2.gz DTCCHRNGBRKPIQ-CQSZACIVSA-N 2 2 385.224 3.464 10 0 GGAELP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192134 567294891 /nfs/dbraw/zinc/29/48/91/567294891.db2.gz PRGSFZUULGYKQO-GJYPPUQNSA-N 2 2 389.341 3.455 10 0 GGAELP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192134 567294897 /nfs/dbraw/zinc/29/48/97/567294897.db2.gz PRGSFZUULGYKQO-GJYPPUQNSA-N 2 2 389.341 3.455 10 0 GGAELP CN1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192137 567295210 /nfs/dbraw/zinc/29/52/10/567295210.db2.gz PRGSFZUULGYKQO-TXPKVOOTSA-N 2 2 389.341 3.455 10 0 GGAELP CN1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1c1ccc(Br)cc1 ZINC000639192137 567295212 /nfs/dbraw/zinc/29/52/12/567295212.db2.gz PRGSFZUULGYKQO-TXPKVOOTSA-N 2 2 389.341 3.455 10 0 GGAELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1Br ZINC000500091217 567299267 /nfs/dbraw/zinc/29/92/67/567299267.db2.gz MHNLBDASINQESS-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1Br ZINC000500091217 567299274 /nfs/dbraw/zinc/29/92/74/567299274.db2.gz MHNLBDASINQESS-GOSISDBHSA-N 2 2 380.374 3.359 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@H]2CCN(C)[C@H](c3ccc(Br)cc3)C2)c1 ZINC000639256009 567299424 /nfs/dbraw/zinc/29/94/24/567299424.db2.gz ROWIJGYCGHOJJM-WMZOPIPTSA-N 2 2 377.330 3.150 10 0 GGAELP Brc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000685835879 567302611 /nfs/dbraw/zinc/30/26/11/567302611.db2.gz HJSWGVGYYAPTEY-HNNXBMFYSA-N 2 2 387.285 3.063 10 0 GGAELP Brc1ccccc1-n1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000685835879 567302616 /nfs/dbraw/zinc/30/26/16/567302616.db2.gz HJSWGVGYYAPTEY-HNNXBMFYSA-N 2 2 387.285 3.063 10 0 GGAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)[C@@H]1SC ZINC000592377489 567334037 /nfs/dbraw/zinc/33/40/37/567334037.db2.gz YOYGHRCLKBGJNM-KFWWJZLASA-N 2 2 384.343 3.404 10 0 GGAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000527663896 567357776 /nfs/dbraw/zinc/35/77/76/567357776.db2.gz GJJCHRSACDWWNO-IRXDYDNUSA-N 2 2 395.366 3.483 10 0 GGAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000527663896 567357782 /nfs/dbraw/zinc/35/77/82/567357782.db2.gz GJJCHRSACDWWNO-IRXDYDNUSA-N 2 2 395.366 3.483 10 0 GGAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000527663894 567357898 /nfs/dbraw/zinc/35/78/98/567357898.db2.gz GJJCHRSACDWWNO-DLBZAZTESA-N 2 2 395.366 3.483 10 0 GGAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000527663894 567357901 /nfs/dbraw/zinc/35/79/01/567357901.db2.gz GJJCHRSACDWWNO-DLBZAZTESA-N 2 2 395.366 3.483 10 0 GGAELP O[C@@]1(C[NH2+]Cc2ccsc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000527665802 567358701 /nfs/dbraw/zinc/35/87/01/567358701.db2.gz QAHQVFSBAWOTCB-QGZVFWFLSA-N 2 2 381.339 3.237 10 0 GGAELP O[C@@]1(C[NH2+]Cc2ccsc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000527665802 567358707 /nfs/dbraw/zinc/35/87/07/567358707.db2.gz QAHQVFSBAWOTCB-QGZVFWFLSA-N 2 2 381.339 3.237 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CCc1ccc(Br)cc1 ZINC000592894175 567372748 /nfs/dbraw/zinc/37/27/48/567372748.db2.gz MTMQHVJGZGDZBM-HXUWFJFHSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000592894175 567372758 /nfs/dbraw/zinc/37/27/58/567372758.db2.gz MTMQHVJGZGDZBM-HXUWFJFHSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](CCc1ccc(Br)cc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000592894175 567372764 /nfs/dbraw/zinc/37/27/64/567372764.db2.gz MTMQHVJGZGDZBM-HXUWFJFHSA-N 2 2 391.353 3.416 10 0 GGAELP C[NH+](CCc1ccc(Br)cc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000592894175 567372773 /nfs/dbraw/zinc/37/27/73/567372773.db2.gz MTMQHVJGZGDZBM-HXUWFJFHSA-N 2 2 391.353 3.416 10 0 GGAELP C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)[N@H+](C)Cc1ccccc1 ZINC000569511071 567409119 /nfs/dbraw/zinc/40/91/19/567409119.db2.gz CCCINJKHNOTUMA-JKSUJKDBSA-N 2 2 392.341 3.109 10 0 GGAELP C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)[N@@H+](C)Cc1ccccc1 ZINC000569511071 567409123 /nfs/dbraw/zinc/40/91/23/567409123.db2.gz CCCINJKHNOTUMA-JKSUJKDBSA-N 2 2 392.341 3.109 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153168 567413112 /nfs/dbraw/zinc/41/31/12/567413112.db2.gz ORYOZQYJINKNFV-MJGOQNOKSA-N 2 2 379.342 3.358 10 0 GGAELP O[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CCCc4ccc(Br)cc43)CC2)C1 ZINC000662153168 567413117 /nfs/dbraw/zinc/41/31/17/567413117.db2.gz ORYOZQYJINKNFV-MJGOQNOKSA-N 2 2 379.342 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285008 567424670 /nfs/dbraw/zinc/42/46/70/567424670.db2.gz TZQFMURESZRBLI-UHOFOFEASA-N 2 2 388.737 3.358 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncc(Br)cc2Cl)C1 ZINC000662285008 567424674 /nfs/dbraw/zinc/42/46/74/567424674.db2.gz TZQFMURESZRBLI-UHOFOFEASA-N 2 2 388.737 3.358 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321245 567427008 /nfs/dbraw/zinc/42/70/08/567427008.db2.gz ABDMIVVRPUADKD-CQSZACIVSA-N 2 2 382.302 3.133 10 0 GGAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2nc3ccc(Br)cc3o2)CCO1 ZINC000662321245 567427010 /nfs/dbraw/zinc/42/70/10/567427010.db2.gz ABDMIVVRPUADKD-CQSZACIVSA-N 2 2 382.302 3.133 10 0 GGAELP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000662427581 567436810 /nfs/dbraw/zinc/43/68/10/567436810.db2.gz RFKQHTXSMGIQSN-SNVBAGLBSA-N 2 2 381.299 3.204 10 0 GGAELP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000529013104 567478210 /nfs/dbraw/zinc/47/82/10/567478210.db2.gz WEUXCQFXHHQUCC-UHFFFAOYSA-N 2 2 381.307 3.279 10 0 GGAELP C[NH+]1CCC(CNC(=O)c2c(Cl)cncc2Cl)([NH+]2CCCCC2)CC1 ZINC000551491535 567512002 /nfs/dbraw/zinc/51/20/02/567512002.db2.gz YYLFCUBQYWBRQL-UHFFFAOYSA-N 2 2 385.339 3.069 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000663527854 567514898 /nfs/dbraw/zinc/51/48/98/567514898.db2.gz PAUSCKLPNLERLS-INIZCTEOSA-N 2 2 384.977 3.060 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000663527854 567514904 /nfs/dbraw/zinc/51/49/04/567514904.db2.gz PAUSCKLPNLERLS-INIZCTEOSA-N 2 2 384.977 3.060 10 0 GGAELP Cc1nc(NCC2(N3CCCCC3)CC[NH+](C)CC2)c(Br)c(C)[nH+]1 ZINC000663669497 567521370 /nfs/dbraw/zinc/52/13/70/567521370.db2.gz XMXVKQBIDBWFBD-UHFFFAOYSA-N 2 2 396.377 3.218 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CC2 ZINC000595052779 567538518 /nfs/dbraw/zinc/53/85/18/567538518.db2.gz VVMQATMCPMOIEO-OCCSQVGLSA-N 2 2 379.245 3.149 10 0 GGAELP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CC2 ZINC000595052779 567538524 /nfs/dbraw/zinc/53/85/24/567538524.db2.gz VVMQATMCPMOIEO-OCCSQVGLSA-N 2 2 379.245 3.149 10 0 GGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000552096026 567557956 /nfs/dbraw/zinc/55/79/56/567557956.db2.gz NTUWNRKNFOFYAD-WZYMTQMTSA-N 2 2 383.989 3.396 10 0 GGAELP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552096026 567557964 /nfs/dbraw/zinc/55/79/64/567557964.db2.gz NTUWNRKNFOFYAD-WZYMTQMTSA-N 2 2 383.989 3.396 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031857 567563638 /nfs/dbraw/zinc/56/36/38/567563638.db2.gz CTOLTVONUHJALI-GUYCJALGSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Br)cc1Cl ZINC000664330284 567564087 /nfs/dbraw/zinc/56/40/87/567564087.db2.gz ITKZZFZCANSEQR-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Br)cc1Cl ZINC000664330284 567564091 /nfs/dbraw/zinc/56/40/91/567564091.db2.gz ITKZZFZCANSEQR-UHFFFAOYSA-N 2 2 391.741 3.108 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)[nH+]c12 ZINC000552283462 567573332 /nfs/dbraw/zinc/57/33/32/567573332.db2.gz DPSFTJIXWQPNTL-RCCFBDPRSA-N 3 2 391.357 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)[nH+]c12 ZINC000552283462 567573339 /nfs/dbraw/zinc/57/33/39/567573339.db2.gz DPSFTJIXWQPNTL-RCCFBDPRSA-N 3 2 391.357 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)[nH+]c12 ZINC000552283460 567573711 /nfs/dbraw/zinc/57/37/11/567573711.db2.gz DPSFTJIXWQPNTL-KURKYZTESA-N 3 2 391.357 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)[nH+]c12 ZINC000552283460 567573714 /nfs/dbraw/zinc/57/37/14/567573714.db2.gz DPSFTJIXWQPNTL-KURKYZTESA-N 3 2 391.357 3.410 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CCN(c3[nH+]ccc4cc(Br)ccc43)CC2)C1 ZINC000664596270 567577456 /nfs/dbraw/zinc/57/74/56/567577456.db2.gz IHQVVWQXIYKMLM-MRXNPFEDSA-N 2 2 376.298 3.033 10 0 GGAELP O[C@@H]1CC[N@H+](C2CCN(c3[nH+]ccc4cc(Br)ccc43)CC2)C1 ZINC000664596270 567577461 /nfs/dbraw/zinc/57/74/61/567577461.db2.gz IHQVVWQXIYKMLM-MRXNPFEDSA-N 2 2 376.298 3.033 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000664601806 567578629 /nfs/dbraw/zinc/57/86/29/567578629.db2.gz XUFUYYGXGUQVBT-CQSZACIVSA-N 2 2 376.298 3.033 10 0 GGAELP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000664601806 567578635 /nfs/dbraw/zinc/57/86/35/567578635.db2.gz XUFUYYGXGUQVBT-CQSZACIVSA-N 2 2 376.298 3.033 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179801 567580271 /nfs/dbraw/zinc/58/02/71/567580271.db2.gz XUCQXLRHRHJEID-QGZVFWFLSA-N 2 2 375.314 3.317 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530224765 567586166 /nfs/dbraw/zinc/58/61/66/567586166.db2.gz YEXCVLKULXGLAM-CJNGLKHVSA-N 2 2 375.257 3.056 10 0 GGAELP CCOc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Br)c1O ZINC000459550642 567635893 /nfs/dbraw/zinc/63/58/93/567635893.db2.gz KKHXLWMFJHXOHO-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(Br)c1O ZINC000459550642 567635897 /nfs/dbraw/zinc/63/58/97/567635897.db2.gz KKHXLWMFJHXOHO-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550642 567635900 /nfs/dbraw/zinc/63/59/00/567635900.db2.gz KKHXLWMFJHXOHO-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(Br)c1O ZINC000459550642 567635904 /nfs/dbraw/zinc/63/59/04/567635904.db2.gz KKHXLWMFJHXOHO-GOEBONIOSA-N 2 2 383.330 3.470 10 0 GGAELP Clc1ccc(I)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000596650605 567646856 /nfs/dbraw/zinc/64/68/56/567646856.db2.gz LXLJBYDANVJFKN-FUNVUKJBSA-N 2 2 376.669 3.317 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000666044937 567651259 /nfs/dbraw/zinc/65/12/59/567651259.db2.gz ZZQKKJHUCLQEPE-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000666044937 567651265 /nfs/dbraw/zinc/65/12/65/567651265.db2.gz ZZQKKJHUCLQEPE-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000666397334 567671437 /nfs/dbraw/zinc/67/14/37/567671437.db2.gz WVQXULDAPQAHIZ-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP Cc1cc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000666397334 567671446 /nfs/dbraw/zinc/67/14/46/567671446.db2.gz WVQXULDAPQAHIZ-UHFFFAOYSA-N 2 2 385.350 3.071 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705948 567674941 /nfs/dbraw/zinc/67/49/41/567674941.db2.gz DZBFKBPPKHUTOO-GXTWGEPZSA-N 2 2 388.375 3.104 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961921 567689742 /nfs/dbraw/zinc/68/97/42/567689742.db2.gz CIYDTVBJQSGDQR-WMLDXEAASA-N 2 2 382.346 3.042 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961921 567689751 /nfs/dbraw/zinc/68/97/51/567689751.db2.gz CIYDTVBJQSGDQR-WMLDXEAASA-N 2 2 382.346 3.042 10 0 GGAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961918 567690308 /nfs/dbraw/zinc/69/03/08/567690308.db2.gz CIYDTVBJQSGDQR-PBHICJAKSA-N 2 2 382.346 3.042 10 0 GGAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000531961918 567690312 /nfs/dbraw/zinc/69/03/12/567690312.db2.gz CIYDTVBJQSGDQR-PBHICJAKSA-N 2 2 382.346 3.042 10 0 GGAELP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ncc1Br ZINC000623361494 567705110 /nfs/dbraw/zinc/70/51/10/567705110.db2.gz GCRVNJMXWDMLKC-UHFFFAOYSA-N 2 2 375.314 3.302 10 0 GGAELP Cc1cc(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493603 567716340 /nfs/dbraw/zinc/71/63/40/567716340.db2.gz LJRLKFXCLCYXAU-WMLDXEAASA-N 2 2 394.357 3.325 10 0 GGAELP Cc1cc(N2CC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2=O)ccc1Br ZINC000623493603 567716346 /nfs/dbraw/zinc/71/63/46/567716346.db2.gz LJRLKFXCLCYXAU-WMLDXEAASA-N 2 2 394.357 3.325 10 0 GGAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508955 567717553 /nfs/dbraw/zinc/71/75/53/567717553.db2.gz NMVYLHJCQYTWIP-ZDUSSCGKSA-N 2 2 378.460 3.071 10 0 GGAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1(C)C ZINC000623508955 567717559 /nfs/dbraw/zinc/71/75/59/567717559.db2.gz NMVYLHJCQYTWIP-ZDUSSCGKSA-N 2 2 378.460 3.071 10 0 GGAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2ncc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000623557919 567722122 /nfs/dbraw/zinc/72/21/22/567722122.db2.gz LOINNAIUYBYIKS-ZBFHGGJFSA-N 2 2 378.289 3.418 10 0 GGAELP C[N@H+]1C[C@@H](C[NH2+]Cc2ncc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000623557919 567722130 /nfs/dbraw/zinc/72/21/30/567722130.db2.gz LOINNAIUYBYIKS-ZBFHGGJFSA-N 2 2 378.289 3.418 10 0 GGAELP CC(C)Oc1cc(Cl)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623620023 567724962 /nfs/dbraw/zinc/72/49/62/567724962.db2.gz CVPHNYBCQWFFHM-INIZCTEOSA-N 2 2 388.339 3.210 10 0 GGAELP CC(C)Oc1cc(Cl)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623620023 567724973 /nfs/dbraw/zinc/72/49/73/567724973.db2.gz CVPHNYBCQWFFHM-INIZCTEOSA-N 2 2 388.339 3.210 10 0 GGAELP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000573621174 567725575 /nfs/dbraw/zinc/72/55/75/567725575.db2.gz WUZKTRLLQDGPEA-UHFFFAOYSA-N 2 2 380.266 3.058 10 0 GGAELP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623664860 567729508 /nfs/dbraw/zinc/72/95/08/567729508.db2.gz QSWFRRRXLZTTOF-UHFFFAOYSA-N 2 2 391.313 3.002 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000573824479 567738938 /nfs/dbraw/zinc/73/89/38/567738938.db2.gz YVWHBACVJZGNQK-ZBFHGGJFSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000573824479 567738941 /nfs/dbraw/zinc/73/89/41/567738941.db2.gz YVWHBACVJZGNQK-ZBFHGGJFSA-N 2 2 391.313 3.463 10 0 GGAELP C[C@H](C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+]1CCOCC1 ZINC000623897153 567744971 /nfs/dbraw/zinc/74/49/71/567744971.db2.gz HSCWCSQEZJYMDR-CHWSQXEVSA-N 2 2 379.854 3.243 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000623991995 567752210 /nfs/dbraw/zinc/75/22/10/567752210.db2.gz YOTLCSLFMXKWCH-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000623991995 567752215 /nfs/dbraw/zinc/75/22/15/567752215.db2.gz YOTLCSLFMXKWCH-JSGCOSHPSA-N 2 2 379.854 3.121 10 0 GGAELP Fc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1Br ZINC000624160906 567765216 /nfs/dbraw/zinc/76/52/16/567765216.db2.gz RIOOIABWYIOAND-CYBMUJFWSA-N 2 2 375.257 3.070 10 0 GGAELP C[C@H](c1ccccc1Br)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533529776 567773128 /nfs/dbraw/zinc/77/31/28/567773128.db2.gz NZFYZOGGFIVTOQ-CQSZACIVSA-N 2 2 390.329 3.188 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c[nH+]c12 ZINC000647479702 567787951 /nfs/dbraw/zinc/78/79/51/567787951.db2.gz QJFVHSZUTRYYSE-PBHICJAKSA-N 2 2 377.330 3.369 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480744 567788609 /nfs/dbraw/zinc/78/86/09/567788609.db2.gz YKEQPOYLHZNWDV-DYVFJYSZSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480744 567788610 /nfs/dbraw/zinc/78/86/10/567788610.db2.gz YKEQPOYLHZNWDV-DYVFJYSZSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480745 567788671 /nfs/dbraw/zinc/78/86/71/567788671.db2.gz YKEQPOYLHZNWDV-GUYCJALGSA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480745 567788674 /nfs/dbraw/zinc/78/86/74/567788674.db2.gz YKEQPOYLHZNWDV-GUYCJALGSA-N 2 2 383.330 3.430 10 0 GGAELP OCC[N@H+](Cc1cc(Br)cs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668060844 567794399 /nfs/dbraw/zinc/79/43/99/567794399.db2.gz UTOQYNKOVAZXOV-UHFFFAOYSA-N 2 2 393.310 3.086 10 0 GGAELP OCC[N@@H+](Cc1cc(Br)cs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668060844 567794404 /nfs/dbraw/zinc/79/44/04/567794404.db2.gz UTOQYNKOVAZXOV-UHFFFAOYSA-N 2 2 393.310 3.086 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901376 567805823 /nfs/dbraw/zinc/80/58/23/567805823.db2.gz NJYQGYHYHGMYOO-CPUCHLNUSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901376 567805829 /nfs/dbraw/zinc/80/58/29/567805829.db2.gz NJYQGYHYHGMYOO-CPUCHLNUSA-N 2 2 380.330 3.240 10 0 GGAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901918 567805945 /nfs/dbraw/zinc/80/59/45/567805945.db2.gz XJRHYWPLFLRGNU-RDJZCZTQSA-N 2 2 384.351 3.116 10 0 GGAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901918 567805947 /nfs/dbraw/zinc/80/59/47/567805947.db2.gz XJRHYWPLFLRGNU-RDJZCZTQSA-N 2 2 384.351 3.116 10 0 GGAELP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902916 567806146 /nfs/dbraw/zinc/80/61/46/567806146.db2.gz DLUPYOOPMLTWDH-BMGDILEWSA-N 2 2 392.341 3.018 10 0 GGAELP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCN1c1cccc(Br)c1 ZINC000647902916 567806147 /nfs/dbraw/zinc/80/61/47/567806147.db2.gz DLUPYOOPMLTWDH-BMGDILEWSA-N 2 2 392.341 3.018 10 0 GGAELP COc1cc(Br)c(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)cc1O ZINC000648078701 567813337 /nfs/dbraw/zinc/81/33/37/567813337.db2.gz ATTKVUNYWTZHSV-UHFFFAOYSA-N 2 2 390.281 3.452 10 0 GGAELP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(Cl)c1 ZINC000648172445 567814454 /nfs/dbraw/zinc/81/44/54/567814454.db2.gz OJZGGXBNFOMNDH-GOSISDBHSA-N 2 2 378.303 3.168 10 0 GGAELP [NH3+][C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(Cl)c1 ZINC000648172445 567814456 /nfs/dbraw/zinc/81/44/56/567814456.db2.gz OJZGGXBNFOMNDH-GOSISDBHSA-N 2 2 378.303 3.168 10 0 GGAELP [NH3+][C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)c1cccc(Cl)c1 ZINC000648172446 567814542 /nfs/dbraw/zinc/81/45/42/567814542.db2.gz OJZGGXBNFOMNDH-SFHVURJKSA-N 2 2 378.303 3.168 10 0 GGAELP [NH3+][C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)c1cccc(Cl)c1 ZINC000648172446 567814543 /nfs/dbraw/zinc/81/45/43/567814543.db2.gz OJZGGXBNFOMNDH-SFHVURJKSA-N 2 2 378.303 3.168 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(CC)cc2)C3)CC1 ZINC000015779575 570243719 /nfs/dbraw/zinc/24/37/19/570243719.db2.gz GNIYVHBAQKJCLW-UHFFFAOYSA-N 2 2 379.552 3.129 10 0 GGAELP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(CC)cc2)C3)CC1 ZINC000015779575 570243722 /nfs/dbraw/zinc/24/37/22/570243722.db2.gz GNIYVHBAQKJCLW-UHFFFAOYSA-N 2 2 379.552 3.129 10 0 GGAELP Cc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000060217853 570418579 /nfs/dbraw/zinc/41/85/79/570418579.db2.gz IEMQGTGXMAIHLH-UHFFFAOYSA-N 2 2 388.519 3.077 10 0 GGAELP Cc1ccsc1C[N@H+](C)Cc1cc2n(n1)CCCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000252498027 570442827 /nfs/dbraw/zinc/44/28/27/570442827.db2.gz IWMFOTXJMOYXBH-SFHVURJKSA-N 2 2 387.597 3.090 10 0 GGAELP Cc1ccsc1C[N@@H+](C)Cc1cc2n(n1)CCCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000252498027 570442832 /nfs/dbraw/zinc/44/28/32/570442832.db2.gz IWMFOTXJMOYXBH-SFHVURJKSA-N 2 2 387.597 3.090 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1F ZINC000072289322 570481747 /nfs/dbraw/zinc/48/17/47/570481747.db2.gz CVPCIEHWZFKZTR-INIZCTEOSA-N 2 2 380.467 3.457 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1F ZINC000072289322 570481749 /nfs/dbraw/zinc/48/17/49/570481749.db2.gz CVPCIEHWZFKZTR-INIZCTEOSA-N 2 2 380.467 3.457 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225565802 570589047 /nfs/dbraw/zinc/58/90/47/570589047.db2.gz PFOPCHLPKUBFQB-CVEARBPZSA-N 2 2 378.517 3.190 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C ZINC000225565802 570589049 /nfs/dbraw/zinc/58/90/49/570589049.db2.gz PFOPCHLPKUBFQB-CVEARBPZSA-N 2 2 378.517 3.190 10 0 GGAELP C[NH+](C)[C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1CCC(=O)NC1CCCCCC1 ZINC000011913005 570592231 /nfs/dbraw/zinc/59/22/31/570592231.db2.gz HASPAQITJGRJFL-RBBKRZOGSA-N 2 2 386.584 3.453 10 0 GGAELP C[NH+](C)[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1CCC(=O)NC1CCCCCC1 ZINC000011913005 570592236 /nfs/dbraw/zinc/59/22/36/570592236.db2.gz HASPAQITJGRJFL-RBBKRZOGSA-N 2 2 386.584 3.453 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccc(C)cc1 ZINC000036316576 570615087 /nfs/dbraw/zinc/61/50/87/570615087.db2.gz WNPROLAIOTVVRO-UHFFFAOYSA-N 2 2 382.552 3.140 10 0 GGAELP CCc1[nH+]c(C)nc(N2CC[NH+](C[C@@H](O)CC)CC2)c1Cc1ccc(C)cc1 ZINC000036340638 570625538 /nfs/dbraw/zinc/62/55/38/570625538.db2.gz GMRFJFZDTYCZLW-FQEVSTJZSA-N 2 2 382.552 3.140 10 0 GGAELP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(=O)NCCc1ccc(F)cc1 ZINC000058160811 570713047 /nfs/dbraw/zinc/71/30/47/570713047.db2.gz QZTHOANGPIWTPZ-SFHVURJKSA-N 2 2 383.511 3.127 10 0 GGAELP CCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(C)c2)C3)CC1 ZINC000065210888 570730215 /nfs/dbraw/zinc/73/02/15/570730215.db2.gz WRFPAEULNIOSBL-UHFFFAOYSA-N 2 2 394.563 3.060 10 0 GGAELP CCC[NH+]1CCN(C(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(C)c2)C3)CC1 ZINC000065210888 570730221 /nfs/dbraw/zinc/73/02/21/570730221.db2.gz WRFPAEULNIOSBL-UHFFFAOYSA-N 2 2 394.563 3.060 10 0 GGAELP O=C(NCCC[NH+]1CCCCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033071005 570802170 /nfs/dbraw/zinc/80/21/70/570802170.db2.gz VPOAIRMCTGJIQB-UHFFFAOYSA-N 2 2 383.540 3.162 10 0 GGAELP O=C(NCC[NH+]1CCCCC1)C1CCN(c2[nH]c3ccc(Cl)cc3[nH+]2)CC1 ZINC000033071149 570803040 /nfs/dbraw/zinc/80/30/40/570803040.db2.gz KBPRBCNZNWEPTA-UHFFFAOYSA-N 2 2 389.931 3.035 10 0 GGAELP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517065 570825775 /nfs/dbraw/zinc/82/57/75/570825775.db2.gz GAQMYXXCZHBJGH-INIZCTEOSA-N 2 2 398.473 3.041 10 0 GGAELP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000012517065 570825779 /nfs/dbraw/zinc/82/57/79/570825779.db2.gz GAQMYXXCZHBJGH-INIZCTEOSA-N 2 2 398.473 3.041 10 0 GGAELP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000170615867 570873334 /nfs/dbraw/zinc/87/33/34/570873334.db2.gz ICACSGIKIKKWSI-ZWKOTPCHSA-N 2 2 379.907 3.359 10 0 GGAELP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000170615867 570873336 /nfs/dbraw/zinc/87/33/36/570873336.db2.gz ICACSGIKIKKWSI-ZWKOTPCHSA-N 2 2 379.907 3.359 10 0 GGAELP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000007583650 570948965 /nfs/dbraw/zinc/94/89/65/570948965.db2.gz FYXWNFHDFANJDV-UHFFFAOYSA-N 2 2 399.510 3.047 10 0 GGAELP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000007583650 570948968 /nfs/dbraw/zinc/94/89/68/570948968.db2.gz FYXWNFHDFANJDV-UHFFFAOYSA-N 2 2 399.510 3.047 10 0 GGAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000007802964 1398747676 /nfs/dbraw/zinc/74/76/76/1398747676.db2.gz DCJTWUDLJARZKD-SFHVURJKSA-N 2 2 377.488 3.428 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000007802967 1398747833 /nfs/dbraw/zinc/74/78/33/1398747833.db2.gz DCJTWUDLJARZKD-GOSISDBHSA-N 2 2 377.488 3.428 10 0 GGAELP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019335996 1399329688 /nfs/dbraw/zinc/32/96/88/1399329688.db2.gz OTZNNAIMMLWHOV-OAQYLSRUSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019335996 1399329698 /nfs/dbraw/zinc/32/96/98/1399329698.db2.gz OTZNNAIMMLWHOV-OAQYLSRUSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019335996 1399329705 /nfs/dbraw/zinc/32/97/05/1399329705.db2.gz OTZNNAIMMLWHOV-OAQYLSRUSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019335996 1399329711 /nfs/dbraw/zinc/32/97/11/1399329711.db2.gz OTZNNAIMMLWHOV-OAQYLSRUSA-N 2 2 388.943 3.460 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000066876824 1408939921 /nfs/dbraw/zinc/93/99/21/1408939921.db2.gz GTRPLDLCVBXJST-UHFFFAOYSA-N 2 2 380.414 3.022 10 0 GGAELP CCCOc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000067668637 1409202996 /nfs/dbraw/zinc/20/29/96/1409202996.db2.gz FSYNFJVWBTUYBP-UHFFFAOYSA-N 2 2 381.520 3.153 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000073803789 1409865860 /nfs/dbraw/zinc/86/58/60/1409865860.db2.gz DEUDOVRBMIMFRN-HUUCEWRRSA-N 2 2 376.932 3.281 10 0 GGAELP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H](c3cccnc3)[NH+](C)C)cc2)CC1 ZINC000078986567 1409948283 /nfs/dbraw/zinc/94/82/83/1409948283.db2.gz LMIXXFZCHYDUKT-QFIPXVFZSA-N 2 2 395.551 3.101 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000079761702 1409988480 /nfs/dbraw/zinc/98/84/80/1409988480.db2.gz HQQDFLMDTLSJEY-GASCZTMLSA-N 2 2 376.932 3.281 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000079761702 1409988488 /nfs/dbraw/zinc/98/84/88/1409988488.db2.gz HQQDFLMDTLSJEY-GASCZTMLSA-N 2 2 376.932 3.281 10 0 GGAELP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000079761708 1409988546 /nfs/dbraw/zinc/98/85/46/1409988546.db2.gz HQQDFLMDTLSJEY-GJZGRUSLSA-N 2 2 376.932 3.281 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[N@@H+](C)CC1)C[NH+](Cc1ccc(F)cc1)CC2 ZINC000105111487 1411029954 /nfs/dbraw/zinc/02/99/54/1411029954.db2.gz BZVSWWRLCILBTM-UHFFFAOYSA-N 2 2 385.483 3.063 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[N@H+](C)CC1)C[NH+](Cc1ccc(F)cc1)CC2 ZINC000105111487 1411029964 /nfs/dbraw/zinc/02/99/64/1411029964.db2.gz BZVSWWRLCILBTM-UHFFFAOYSA-N 2 2 385.483 3.063 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[NH+](C)CC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000105111487 1411029974 /nfs/dbraw/zinc/02/99/74/1411029974.db2.gz BZVSWWRLCILBTM-UHFFFAOYSA-N 2 2 385.483 3.063 10 0 GGAELP Cc1oc2c(c1C(=O)N1CCC[NH+](C)CC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000105111487 1411029983 /nfs/dbraw/zinc/02/99/83/1411029983.db2.gz BZVSWWRLCILBTM-UHFFFAOYSA-N 2 2 385.483 3.063 10 0 GGAELP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000105495824 1411073254 /nfs/dbraw/zinc/07/32/54/1411073254.db2.gz DJLCBBGDKSVZNG-UHFFFAOYSA-N 3 2 376.504 3.119 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108902673 1411637368 /nfs/dbraw/zinc/63/73/68/1411637368.db2.gz DNBNNEJLJYWHIN-PKTZIBPZSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108902673 1411637374 /nfs/dbraw/zinc/63/73/74/1411637374.db2.gz DNBNNEJLJYWHIN-PKTZIBPZSA-N 2 2 379.548 3.428 10 0 GGAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cn1 ZINC000121177545 1414034817 /nfs/dbraw/zinc/03/48/17/1414034817.db2.gz BNONSQWJSXEXCI-OAQYLSRUSA-N 2 2 378.476 3.423 10 0 GGAELP CC(C)Oc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000126748247 1415546506 /nfs/dbraw/zinc/54/65/06/1415546506.db2.gz HOFZJOVMALQOFO-UHFFFAOYSA-N 2 2 384.520 3.475 10 0 GGAELP Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(OCCC(C)C)c1 ZINC000134403710 1417065207 /nfs/dbraw/zinc/06/52/07/1417065207.db2.gz HJTUSNWEAIOYMC-UHFFFAOYSA-N 2 2 397.567 3.252 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000136561434 1417326058 /nfs/dbraw/zinc/32/60/58/1417326058.db2.gz HZQYGWOGNYFJSQ-MSOLQXFVSA-N 2 2 384.467 3.154 10 0 GGAELP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(OC(F)F)c1 ZINC000136561477 1417326362 /nfs/dbraw/zinc/32/63/62/1417326362.db2.gz HZQYGWOGNYFJSQ-ROUUACIJSA-N 2 2 384.467 3.154 10 0 GGAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000136576378 1417327917 /nfs/dbraw/zinc/32/79/17/1417327917.db2.gz AQHYHKDTPREMIT-ROUUACIJSA-N 2 2 385.321 3.446 10 0 GGAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000136603085 1417332049 /nfs/dbraw/zinc/33/20/49/1417332049.db2.gz COOCPPGICTUHRN-LEWJYISDSA-N 2 2 388.943 3.383 10 0 GGAELP CCC(CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCCC1 ZINC000151973972 1418109619 /nfs/dbraw/zinc/10/96/19/1418109619.db2.gz AXWQZUDBEAJUGR-YSIASYRMSA-N 2 2 375.561 3.376 10 0 GGAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000154298851 1422868936 /nfs/dbraw/zinc/86/89/36/1422868936.db2.gz BJTYYFOSDPGHJC-KIZRIRGWSA-N 2 2 395.551 3.386 10 0 GGAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000154298851 1422868938 /nfs/dbraw/zinc/86/89/38/1422868938.db2.gz BJTYYFOSDPGHJC-KIZRIRGWSA-N 2 2 395.551 3.386 10 0 GGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298976 1423305944 /nfs/dbraw/zinc/30/59/44/1423305944.db2.gz HKBNZIMPULPLKT-DOTOQJQBSA-N 2 2 383.483 3.190 10 0 GGAELP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000155298976 1423305959 /nfs/dbraw/zinc/30/59/59/1423305959.db2.gz HKBNZIMPULPLKT-DOTOQJQBSA-N 2 2 383.483 3.190 10 0 GGAELP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338469 1423323665 /nfs/dbraw/zinc/32/36/65/1423323665.db2.gz AQRQIZKZIZMBED-NVXWUHKLSA-N 2 2 379.570 3.010 10 0 GGAELP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1SC ZINC000155338469 1423323676 /nfs/dbraw/zinc/32/36/76/1423323676.db2.gz AQRQIZKZIZMBED-NVXWUHKLSA-N 2 2 379.570 3.010 10 0 GGAELP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155337990 1423323904 /nfs/dbraw/zinc/32/39/04/1423323904.db2.gz DEJDUCFKCZHEAL-GOEBONIOSA-N 2 2 380.602 3.342 10 0 GGAELP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155337990 1423323912 /nfs/dbraw/zinc/32/39/12/1423323912.db2.gz DEJDUCFKCZHEAL-GOEBONIOSA-N 2 2 380.602 3.342 10 0 GGAELP Fc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1Cl ZINC000161147924 1424662567 /nfs/dbraw/zinc/66/25/67/1424662567.db2.gz GUMCMZAJPGWMCF-UHFFFAOYSA-N 2 2 378.875 3.480 10 0 GGAELP CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181059984 1430192142 /nfs/dbraw/zinc/19/21/42/1430192142.db2.gz IAEKTSKMYKBKMS-CQSZACIVSA-N 2 2 392.525 3.033 10 0 GGAELP CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181059984 1430192143 /nfs/dbraw/zinc/19/21/43/1430192143.db2.gz IAEKTSKMYKBKMS-CQSZACIVSA-N 2 2 392.525 3.033 10 0 GGAELP CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181060005 1430192523 /nfs/dbraw/zinc/19/25/23/1430192523.db2.gz IAEKTSKMYKBKMS-AWEZNQCLSA-N 2 2 392.525 3.033 10 0 GGAELP CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181060005 1430192532 /nfs/dbraw/zinc/19/25/32/1430192532.db2.gz IAEKTSKMYKBKMS-AWEZNQCLSA-N 2 2 392.525 3.033 10 0 GGAELP CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346744 1430876145 /nfs/dbraw/zinc/87/61/45/1430876145.db2.gz DJUNIBGCGBNIAG-QXAKKESOSA-N 2 2 386.565 3.271 10 0 GGAELP CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346744 1430876146 /nfs/dbraw/zinc/87/61/46/1430876146.db2.gz DJUNIBGCGBNIAG-QXAKKESOSA-N 2 2 386.565 3.271 10 0 GGAELP C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185297885 1431103982 /nfs/dbraw/zinc/10/39/82/1431103982.db2.gz ASPWALZRVIQHOY-QGZVFWFLSA-N 2 2 396.516 3.263 10 0 GGAELP C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000185297868 1431104128 /nfs/dbraw/zinc/10/41/28/1431104128.db2.gz ASPWALZRVIQHOY-KRWDZBQOSA-N 2 2 396.516 3.263 10 0 GGAELP c1ccc(C[NH+]2CCC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000236705510 1433376529 /nfs/dbraw/zinc/37/65/29/1433376529.db2.gz JOCWFLAGMOOHEV-UHFFFAOYSA-N 3 2 392.591 3.058 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245557277 1433484681 /nfs/dbraw/zinc/48/46/81/1433484681.db2.gz ATRXPYDRROUYMO-ABSDTBQOSA-N 2 2 398.507 3.358 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245557277 1433484684 /nfs/dbraw/zinc/48/46/84/1433484684.db2.gz ATRXPYDRROUYMO-ABSDTBQOSA-N 2 2 398.507 3.358 10 0 GGAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245558274 1433484987 /nfs/dbraw/zinc/48/49/87/1433484987.db2.gz BDOHURDCXPATKE-CXAGYDPISA-N 2 2 398.404 3.240 10 0 GGAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000245558274 1433484990 /nfs/dbraw/zinc/48/49/90/1433484990.db2.gz BDOHURDCXPATKE-CXAGYDPISA-N 2 2 398.404 3.240 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000245561847 1433485405 /nfs/dbraw/zinc/48/54/05/1433485405.db2.gz CIMFADQUIBKWON-SAWYMBPVSA-N 2 2 382.508 3.042 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C2CC2)cc1 ZINC000245561847 1433485406 /nfs/dbraw/zinc/48/54/06/1433485406.db2.gz CIMFADQUIBKWON-SAWYMBPVSA-N 2 2 382.508 3.042 10 0 GGAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562850 1433485479 /nfs/dbraw/zinc/48/54/79/1433485479.db2.gz CTHLQZJYNFRUSE-NUJGCVRESA-N 2 2 397.548 3.423 10 0 GGAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245562850 1433485480 /nfs/dbraw/zinc/48/54/80/1433485480.db2.gz CTHLQZJYNFRUSE-NUJGCVRESA-N 2 2 397.548 3.423 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221294 1433583457 /nfs/dbraw/zinc/58/34/57/1433583457.db2.gz DNBNNEJLJYWHIN-XZOQPEGZSA-N 2 2 379.548 3.428 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000246221294 1433583459 /nfs/dbraw/zinc/58/34/59/1433583459.db2.gz DNBNNEJLJYWHIN-XZOQPEGZSA-N 2 2 379.548 3.428 10 0 GGAELP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246409147 1433608889 /nfs/dbraw/zinc/60/88/89/1433608889.db2.gz BYCSFFDNQWZEDF-CZAAIQMYSA-N 2 2 388.471 3.251 10 0 GGAELP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246409147 1433608893 /nfs/dbraw/zinc/60/88/93/1433608893.db2.gz BYCSFFDNQWZEDF-CZAAIQMYSA-N 2 2 388.471 3.251 10 0 GGAELP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801706 1434558564 /nfs/dbraw/zinc/55/85/64/1434558564.db2.gz AQRQIZKZIZMBED-RDJZCZTQSA-N 2 2 379.570 3.010 10 0 GGAELP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1SC ZINC000268801706 1434558568 /nfs/dbraw/zinc/55/85/68/1434558568.db2.gz AQRQIZKZIZMBED-RDJZCZTQSA-N 2 2 379.570 3.010 10 0 GGAELP C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473839757 1126200114 /nfs/dbraw/zinc/20/01/14/1126200114.db2.gz IXFQLPQRHOPKJG-QFIPXVFZSA-N 2 2 388.939 3.256 10 0 GGAELP [NH2+]=C(NCCCc1c[nH]c[nH+]1)NCC[C@H](c1cc(F)cc(F)c1)c1ccccn1 ZINC000011687708 212147998 /nfs/dbraw/zinc/14/79/98/212147998.db2.gz AWNVXDSGXRUHRY-LJQANCHMSA-N 2 2 398.461 3.352 10 0 GGAELP [NH2+]=C(NCCCc1c[nH+]c[nH]1)NCC[C@H](c1cc(F)cc(F)c1)c1ccccn1 ZINC000011687708 212148002 /nfs/dbraw/zinc/14/80/02/212148002.db2.gz AWNVXDSGXRUHRY-LJQANCHMSA-N 2 2 398.461 3.352 10 0 GGAELP [NH2+]=C(NCCCc1c[nH]c[nH+]1)NCC[C@@H](c1cc(F)cc(F)c1)c1ccccn1 ZINC000001551192 212144240 /nfs/dbraw/zinc/14/42/40/212144240.db2.gz AWNVXDSGXRUHRY-IBGZPJMESA-N 2 2 398.461 3.352 10 0 GGAELP [NH2+]=C(NCCCc1c[nH+]c[nH]1)NCC[C@@H](c1cc(F)cc(F)c1)c1ccccn1 ZINC000001551192 212144246 /nfs/dbraw/zinc/14/42/46/212144246.db2.gz AWNVXDSGXRUHRY-IBGZPJMESA-N 2 2 398.461 3.352 10 0 GGAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000359904578 212123295 /nfs/dbraw/zinc/12/32/95/212123295.db2.gz WDSJWKZUYXGNFF-AWEZNQCLSA-N 2 2 376.854 3.320 10 0 GGAELP c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)CC2)nc1 ZINC000011938554 221141016 /nfs/dbraw/zinc/14/10/16/221141016.db2.gz XWQFKYJEYHPBLK-HXUWFJFHSA-N 2 2 394.519 3.351 10 0 GGAELP c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)CC2)nc1 ZINC000011938554 221141020 /nfs/dbraw/zinc/14/10/20/221141020.db2.gz XWQFKYJEYHPBLK-HXUWFJFHSA-N 2 2 394.519 3.351 10 0 GGAELP CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000012919201 221246136 /nfs/dbraw/zinc/24/61/36/221246136.db2.gz LVHMNEXNUQACNG-NRFANRHFSA-N 2 2 386.927 3.371 10 0 GGAELP COc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCSCC3)CC2)cc1F ZINC000013637132 221278360 /nfs/dbraw/zinc/27/83/60/221278360.db2.gz UOSSEEGPSVEUCA-UHFFFAOYSA-N 2 2 390.528 3.238 10 0 GGAELP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)O[C@H](C)C2 ZINC000014115776 221300036 /nfs/dbraw/zinc/30/00/36/221300036.db2.gz PSANIQYRWNURTN-QGZVFWFLSA-N 2 2 382.504 3.141 10 0 GGAELP COCCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cn1 ZINC000015069889 221329459 /nfs/dbraw/zinc/32/94/59/221329459.db2.gz ABZOKCJQCQKUQF-QHCPKHFHSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)cn1 ZINC000015069889 221329461 /nfs/dbraw/zinc/32/94/61/221329461.db2.gz ABZOKCJQCQKUQF-QHCPKHFHSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)cn1 ZINC000015069889 221329463 /nfs/dbraw/zinc/32/94/63/221329463.db2.gz ABZOKCJQCQKUQF-QHCPKHFHSA-N 2 2 398.526 3.293 10 0 GGAELP COCCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)cn1 ZINC000015069889 221329469 /nfs/dbraw/zinc/32/94/69/221329469.db2.gz ABZOKCJQCQKUQF-QHCPKHFHSA-N 2 2 398.526 3.293 10 0 GGAELP COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCN(c3[nH+]cnc4[nH]ccc43)C1)CC2 ZINC000072149038 136167152 /nfs/dbraw/zinc/16/71/52/136167152.db2.gz VIPJENVMOJBLCL-KRWDZBQOSA-N 2 2 393.491 3.002 10 0 GGAELP COc1cc2c(cc1OC)C[N@H+]([C@H]1CCCN(c3[nH+]cnc4[nH]ccc43)C1)CC2 ZINC000072149038 136167153 /nfs/dbraw/zinc/16/71/53/136167153.db2.gz VIPJENVMOJBLCL-KRWDZBQOSA-N 2 2 393.491 3.002 10 0 GGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000057205218 222029552 /nfs/dbraw/zinc/02/95/52/222029552.db2.gz AVIZDJPHEASQCB-FQEVSTJZSA-N 2 2 393.535 3.207 10 0 GGAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000057205221 222029902 /nfs/dbraw/zinc/02/99/02/222029902.db2.gz AVIZDJPHEASQCB-HXUWFJFHSA-N 2 2 393.535 3.207 10 0 GGAELP CN(C)c1[nH+]cccc1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058296606 222048781 /nfs/dbraw/zinc/04/87/81/222048781.db2.gz OWTDPPXDFVUJKZ-UHFFFAOYSA-N 2 2 385.537 3.018 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[NH+](CC[C@@H]2CCC[N@H+]2C)CCO3)n1 ZINC000067677139 222153390 /nfs/dbraw/zinc/15/33/90/222153390.db2.gz ZXUJUSVIULZSHP-IBGZPJMESA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[NH+](CC[C@@H]2CCC[N@@H+]2C)CCO3)n1 ZINC000067677139 222153393 /nfs/dbraw/zinc/15/33/93/222153393.db2.gz ZXUJUSVIULZSHP-IBGZPJMESA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](CC[C@@H]2CCC[NH+]2C)CCO3)n1 ZINC000067677139 222153396 /nfs/dbraw/zinc/15/33/96/222153396.db2.gz ZXUJUSVIULZSHP-IBGZPJMESA-N 2 2 382.508 3.145 10 0 GGAELP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](CC[C@@H]2CCC[NH+]2C)CCO3)n1 ZINC000067677139 222153399 /nfs/dbraw/zinc/15/33/99/222153399.db2.gz ZXUJUSVIULZSHP-IBGZPJMESA-N 2 2 382.508 3.145 10 0 GGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3I)C[C@@H]12 ZINC000405546216 565586573 /nfs/dbraw/zinc/58/65/73/565586573.db2.gz WLIXQLOXJQGLSV-MRCXROJRSA-N 2 2 376.669 3.114 10 0 GGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3I)C[C@@H]12 ZINC000405546216 565586578 /nfs/dbraw/zinc/58/65/78/565586578.db2.gz WLIXQLOXJQGLSV-MRCXROJRSA-N 2 2 376.669 3.114 10 0 GGAELP Cn1cc[nH+]c1CN1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000116261734 564206233 /nfs/dbraw/zinc/20/62/33/564206233.db2.gz VQCHWZFCSVRMIV-UHFFFAOYSA-N 2 2 386.297 3.053 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000040672958 564428095 /nfs/dbraw/zinc/42/80/95/564428095.db2.gz CNGYLIWDILQLRR-LLVKDONJSA-N 2 2 392.135 3.404 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000040672958 564428098 /nfs/dbraw/zinc/42/80/98/564428098.db2.gz CNGYLIWDILQLRR-LLVKDONJSA-N 2 2 392.135 3.404 10 0 GGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815899 564462041 /nfs/dbraw/zinc/46/20/41/564462041.db2.gz JJKFQDDPQHSSMA-YPMHNXCESA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000123815899 564462045 /nfs/dbraw/zinc/46/20/45/564462045.db2.gz JJKFQDDPQHSSMA-YPMHNXCESA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815899 564462050 /nfs/dbraw/zinc/46/20/50/564462050.db2.gz JJKFQDDPQHSSMA-YPMHNXCESA-N 2 2 375.847 3.294 10 0 GGAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815899 564462055 /nfs/dbraw/zinc/46/20/55/564462055.db2.gz JJKFQDDPQHSSMA-YPMHNXCESA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@@H+]1C ZINC000123815681 564462668 /nfs/dbraw/zinc/46/26/68/564462668.db2.gz JJKFQDDPQHSSMA-WCQYABFASA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[N@H+]1C ZINC000123815681 564462671 /nfs/dbraw/zinc/46/26/71/564462671.db2.gz JJKFQDDPQHSSMA-WCQYABFASA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815681 564462673 /nfs/dbraw/zinc/46/26/73/564462673.db2.gz JJKFQDDPQHSSMA-WCQYABFASA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC[NH+]1C ZINC000123815681 564462676 /nfs/dbraw/zinc/46/26/76/564462676.db2.gz JJKFQDDPQHSSMA-WCQYABFASA-N 2 2 375.847 3.294 10 0 GGAELP C[C@H](NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123966668 564467860 /nfs/dbraw/zinc/46/78/60/564467860.db2.gz LRRCCWKAEWQCCJ-JKIFEVAISA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123966668 564467864 /nfs/dbraw/zinc/46/78/64/564467864.db2.gz LRRCCWKAEWQCCJ-JKIFEVAISA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123966668 564467869 /nfs/dbraw/zinc/46/78/69/564467869.db2.gz LRRCCWKAEWQCCJ-JKIFEVAISA-N 2 2 382.346 3.041 10 0 GGAELP C[C@H](NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1 ZINC000123966668 564467872 /nfs/dbraw/zinc/46/78/72/564467872.db2.gz LRRCCWKAEWQCCJ-JKIFEVAISA-N 2 2 382.346 3.041 10 0 GGAELP C[NH+](C)[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1cccs1 ZINC000047832286 564527154 /nfs/dbraw/zinc/52/71/54/564527154.db2.gz UCADGPAXKJFDBQ-CQSZACIVSA-N 2 2 377.901 3.151 10 0 GGAELP C[NH+](C)[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)c1ccsc1 ZINC000048486218 564541080 /nfs/dbraw/zinc/54/10/80/564541080.db2.gz CYRQRNJHPPBQRD-HNNXBMFYSA-N 2 2 377.901 3.151 10 0 GGAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135293266 564826805 /nfs/dbraw/zinc/82/68/05/564826805.db2.gz KVZCYBCYKUYHTI-SNVBAGLBSA-N 2 2 377.124 3.038 10 0 GGAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135293266 564826809 /nfs/dbraw/zinc/82/68/09/564826809.db2.gz KVZCYBCYKUYHTI-SNVBAGLBSA-N 2 2 377.124 3.038 10 0 GGAELP C[N@H+](Cc1ccc(F)c(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128586 564978984 /nfs/dbraw/zinc/97/89/84/564978984.db2.gz VJHKMHWTJXTYFO-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@@H+](Cc1ccc(F)c(Br)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128586 564978988 /nfs/dbraw/zinc/97/89/88/564978988.db2.gz VJHKMHWTJXTYFO-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106165237 564979361 /nfs/dbraw/zinc/97/93/61/564979361.db2.gz RZQRYEMNHRKOCC-UHFFFAOYSA-N 2 2 380.945 3.048 10 0 GGAELP C[N@H+](Cc1cc(Br)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128663 564979400 /nfs/dbraw/zinc/97/94/00/564979400.db2.gz PRBBZVRPTRGFJT-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@@H+](Cc1cc(Br)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128663 564979404 /nfs/dbraw/zinc/97/94/04/564979404.db2.gz PRBBZVRPTRGFJT-UHFFFAOYSA-N 2 2 395.320 3.381 10 0 GGAELP C[N@H+](Cc1ccc(Br)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131100 564979632 /nfs/dbraw/zinc/97/96/32/564979632.db2.gz DYRCWGXAULKZIR-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP C[N@@H+](Cc1ccc(Br)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131100 564979636 /nfs/dbraw/zinc/97/96/36/564979636.db2.gz DYRCWGXAULKZIR-UHFFFAOYSA-N 2 2 377.330 3.242 10 0 GGAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752438 565031328 /nfs/dbraw/zinc/03/13/28/565031328.db2.gz PKERNUISNJTRKY-KRWDZBQOSA-N 2 2 386.367 3.474 10 0 GGAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000109752438 565031332 /nfs/dbraw/zinc/03/13/32/565031332.db2.gz PKERNUISNJTRKY-KRWDZBQOSA-N 2 2 386.367 3.474 10 0 GGAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351720 565066464 /nfs/dbraw/zinc/06/64/64/565066464.db2.gz HIPDDKZEUIYKHE-SJORKVTESA-N 2 2 381.973 3.409 10 0 GGAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000155351720 565066465 /nfs/dbraw/zinc/06/64/65/565066465.db2.gz HIPDDKZEUIYKHE-SJORKVTESA-N 2 2 381.973 3.409 10 0 GGAELP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000156518302 565092811 /nfs/dbraw/zinc/09/28/11/565092811.db2.gz HZRFLIXCLRHLTR-CJNGLKHVSA-N 2 2 392.297 3.500 10 0 GGAELP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000156518302 565092816 /nfs/dbraw/zinc/09/28/16/565092816.db2.gz HZRFLIXCLRHLTR-CJNGLKHVSA-N 2 2 392.297 3.500 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000157228908 565124390 /nfs/dbraw/zinc/12/43/90/565124390.db2.gz NPZKQTZYPDYYCY-WBVHZDCISA-N 2 2 391.313 3.072 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000157228908 565124395 /nfs/dbraw/zinc/12/43/95/565124395.db2.gz NPZKQTZYPDYYCY-WBVHZDCISA-N 2 2 391.313 3.072 10 0 GGAELP Cc1nn(C)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Br ZINC000370148622 565130922 /nfs/dbraw/zinc/13/09/22/565130922.db2.gz BOSUEWMVLGPHHY-CQSZACIVSA-N 2 2 392.345 3.403 10 0 GGAELP Cc1nn(C)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1Br ZINC000370148622 565130929 /nfs/dbraw/zinc/13/09/29/565130929.db2.gz BOSUEWMVLGPHHY-CQSZACIVSA-N 2 2 392.345 3.403 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370730501 565158564 /nfs/dbraw/zinc/15/85/64/565158564.db2.gz OORCWTDTJFVVQG-HNNXBMFYSA-N 2 2 394.313 3.235 10 0 GGAELP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370730501 565158569 /nfs/dbraw/zinc/15/85/69/565158569.db2.gz OORCWTDTJFVVQG-HNNXBMFYSA-N 2 2 394.313 3.235 10 0 GGAELP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831396 565163890 /nfs/dbraw/zinc/16/38/90/565163890.db2.gz USHPUTYQBIWURG-GFCCVEGCSA-N 2 2 376.353 3.295 10 0 GGAELP CN(C(=O)c1cc(Cl)sc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831396 565163895 /nfs/dbraw/zinc/16/38/95/565163895.db2.gz USHPUTYQBIWURG-GFCCVEGCSA-N 2 2 376.353 3.295 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000185004070 565170153 /nfs/dbraw/zinc/17/01/53/565170153.db2.gz UVKNYRVDKOCLJF-QGZVFWFLSA-N 2 2 396.304 3.310 10 0 GGAELP Brc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105133 565241212 /nfs/dbraw/zinc/24/12/12/565241212.db2.gz MFSGABCZFXSWNE-IFXJQAMLSA-N 2 2 387.325 3.402 10 0 GGAELP Brc1ccc([C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000186105133 565241216 /nfs/dbraw/zinc/24/12/16/565241216.db2.gz MFSGABCZFXSWNE-IFXJQAMLSA-N 2 2 387.325 3.402 10 0 GGAELP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183960 565245290 /nfs/dbraw/zinc/24/52/90/565245290.db2.gz IRXFUFFGOFDQPR-KDOFPFPSSA-N 2 2 375.314 3.260 10 0 GGAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)c2cncnc2)C1 ZINC000186183960 565245295 /nfs/dbraw/zinc/24/52/95/565245295.db2.gz IRXFUFFGOFDQPR-KDOFPFPSSA-N 2 2 375.314 3.260 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000187078461 565308328 /nfs/dbraw/zinc/30/83/28/565308328.db2.gz FAYKPEFRRJSUET-MRXNPFEDSA-N 2 2 381.929 3.303 10 0 GGAELP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000187078461 565308334 /nfs/dbraw/zinc/30/83/34/565308334.db2.gz FAYKPEFRRJSUET-MRXNPFEDSA-N 2 2 381.929 3.303 10 0 GGAELP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210883 565325758 /nfs/dbraw/zinc/32/57/58/565325758.db2.gz WYVNACREBHBLAN-LBPRGKRZSA-N 2 2 377.286 3.379 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000188399734 565399133 /nfs/dbraw/zinc/39/91/33/565399133.db2.gz BRFYPWOVZMLCHY-CQSZACIVSA-N 2 2 380.286 3.327 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000188399734 565399136 /nfs/dbraw/zinc/39/91/36/565399136.db2.gz BRFYPWOVZMLCHY-CQSZACIVSA-N 2 2 380.286 3.327 10 0 GGAELP Brc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188415592 565400092 /nfs/dbraw/zinc/40/00/92/565400092.db2.gz WUSLPAZZLXRZOL-CQSZACIVSA-N 2 2 378.270 3.081 10 0 GGAELP Brc1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188415592 565400097 /nfs/dbraw/zinc/40/00/97/565400097.db2.gz WUSLPAZZLXRZOL-CQSZACIVSA-N 2 2 378.270 3.081 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(Cl)cc(F)cc3Cl)CC2)CC1 ZINC000277284784 565487320 /nfs/dbraw/zinc/48/73/20/565487320.db2.gz TYJPQSNXUIHCNG-UHFFFAOYSA-N 2 2 388.314 3.421 10 0 GGAELP Brc1c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc2ccccn21 ZINC000377658177 565491708 /nfs/dbraw/zinc/49/17/08/565491708.db2.gz UDJVLKUOLDVQGA-UHFFFAOYSA-N 2 2 386.297 3.250 10 0 GGAELP Brc1ccccc1CN1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377780194 565497902 /nfs/dbraw/zinc/49/79/02/565497902.db2.gz LVJSYQOSTLNONS-INIZCTEOSA-N 2 2 389.341 3.284 10 0 GGAELP C[NH+]1CCC(CNC(=O)c2ccc(Br)cc2)([NH+]2CCCCC2)CC1 ZINC000172755240 565502316 /nfs/dbraw/zinc/50/23/16/565502316.db2.gz VRCVWWDCDJJNLD-UHFFFAOYSA-N 2 2 394.357 3.129 10 0 GGAELP Cc1nc(N2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)cc[nH+]1 ZINC000302180861 565535147 /nfs/dbraw/zinc/53/51/47/565535147.db2.gz ZMZMIMMPTLSQDI-UHFFFAOYSA-N 2 2 384.281 3.422 10 0 GGAELP Cc1nc(N2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)cc[nH+]1 ZINC000302179321 565535281 /nfs/dbraw/zinc/53/52/81/565535281.db2.gz YQBYNKOOJRJFRP-UHFFFAOYSA-N 2 2 384.281 3.422 10 0 GGAELP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000389115197 565553100 /nfs/dbraw/zinc/55/31/00/565553100.db2.gz LYDLVEVAIOREHB-UHFFFAOYSA-N 2 2 389.091 3.212 10 0 GGAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580834 565566762 /nfs/dbraw/zinc/56/67/62/565566762.db2.gz YNIRIDSVEWWAQI-WMLDXEAASA-N 2 2 377.330 3.183 10 0 GGAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c(Br)cnn1C ZINC000278580834 565566769 /nfs/dbraw/zinc/56/67/69/565566769.db2.gz YNIRIDSVEWWAQI-WMLDXEAASA-N 2 2 377.330 3.183 10 0 GGAELP Ic1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000314627640 565587192 /nfs/dbraw/zinc/58/71/92/565587192.db2.gz UXZBYTUQOKUTMV-UHFFFAOYSA-N 2 2 393.272 3.445 10 0 GGAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546130 565587380 /nfs/dbraw/zinc/58/73/80/565587380.db2.gz WLIXQLOXJQGLSV-DUFXMDAXSA-N 2 2 376.669 3.114 10 0 GGAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3I)C[C@H]12 ZINC000405546130 565587382 /nfs/dbraw/zinc/58/73/82/565587382.db2.gz WLIXQLOXJQGLSV-DUFXMDAXSA-N 2 2 376.669 3.114 10 0 GGAELP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128703 565604488 /nfs/dbraw/zinc/60/44/88/565604488.db2.gz FKMVFXNPEMQSTJ-CJNGLKHVSA-N 2 2 381.314 3.184 10 0 GGAELP Brc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000321128703 565604491 /nfs/dbraw/zinc/60/44/91/565604491.db2.gz FKMVFXNPEMQSTJ-CJNGLKHVSA-N 2 2 381.314 3.184 10 0 GGAELP Cn1ncc(Br)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279492946 565615679 /nfs/dbraw/zinc/61/56/79/565615679.db2.gz VADTWUFGEIMIGA-UHFFFAOYSA-N 2 2 378.318 3.095 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777380 565658547 /nfs/dbraw/zinc/65/85/47/565658547.db2.gz DVTMKHMTYHIZGS-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777380 565658549 /nfs/dbraw/zinc/65/85/49/565658549.db2.gz DVTMKHMTYHIZGS-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777380 565658551 /nfs/dbraw/zinc/65/85/51/565658551.db2.gz DVTMKHMTYHIZGS-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)cc2C)[C@H](C)C1 ZINC000174777380 565658554 /nfs/dbraw/zinc/65/85/54/565658554.db2.gz DVTMKHMTYHIZGS-PBHICJAKSA-N 2 2 382.346 3.358 10 0 GGAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000174903615 565666564 /nfs/dbraw/zinc/66/65/64/565666564.db2.gz ZOCBWBGDXLCCBF-GOSISDBHSA-N 2 2 376.595 3.474 10 0 GGAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000174903615 565666565 /nfs/dbraw/zinc/66/65/65/565666565.db2.gz ZOCBWBGDXLCCBF-GOSISDBHSA-N 2 2 376.595 3.474 10 0 GGAELP Cc1ccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)[NH+](C)C)cc1 ZINC000414067211 565892435 /nfs/dbraw/zinc/89/24/35/565892435.db2.gz HUCAYGOYNNIRDO-QAPCUYQASA-N 2 2 392.341 3.200 10 0 GGAELP Cc1ccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)[NH+](C)C)cc1 ZINC000414067215 565892841 /nfs/dbraw/zinc/89/28/41/565892841.db2.gz HUCAYGOYNNIRDO-YJBOKZPZSA-N 2 2 392.341 3.200 10 0 GGAELP Cn1c[nH+]c(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)c1 ZINC000414128134 565897695 /nfs/dbraw/zinc/89/76/95/565897695.db2.gz REZFAVPGGWDUQU-SFHVURJKSA-N 2 2 378.314 3.483 10 0 GGAELP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Br ZINC000221145012 565903402 /nfs/dbraw/zinc/90/34/02/565903402.db2.gz QTMHXTIDGLGHQE-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Br ZINC000221145012 565903405 /nfs/dbraw/zinc/90/34/05/565903405.db2.gz QTMHXTIDGLGHQE-NSHDSACASA-N 2 2 392.135 3.404 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285829 565910691 /nfs/dbraw/zinc/91/06/91/565910691.db2.gz SSWARQJNBDKYHL-HOTGVXAUSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000178285829 565910695 /nfs/dbraw/zinc/91/06/95/565910695.db2.gz SSWARQJNBDKYHL-HOTGVXAUSA-N 2 2 384.307 3.403 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000178290283 565911154 /nfs/dbraw/zinc/91/11/54/565911154.db2.gz FCHUMQWQJDVLMQ-CQSZACIVSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000178290283 565911158 /nfs/dbraw/zinc/91/11/58/565911158.db2.gz FCHUMQWQJDVLMQ-CQSZACIVSA-N 2 2 378.270 3.347 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000178751842 565936441 /nfs/dbraw/zinc/93/64/41/565936441.db2.gz RTQMGZXMUXSNJT-HNNXBMFYSA-N 2 2 391.313 3.366 10 0 GGAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1Br ZINC000178751842 565936450 /nfs/dbraw/zinc/93/64/50/565936450.db2.gz RTQMGZXMUXSNJT-HNNXBMFYSA-N 2 2 391.313 3.366 10 0 GGAELP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833033 565963042 /nfs/dbraw/zinc/96/30/42/565963042.db2.gz OZFIDYREFHDVFY-DYVFJYSZSA-N 2 2 376.298 3.456 10 0 GGAELP COc1cc(Br)c(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1OC ZINC000414882132 565964143 /nfs/dbraw/zinc/96/41/43/565964143.db2.gz RQJAOTVMAFLCAU-UHFFFAOYSA-N 2 2 394.313 3.131 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c[nH+]c12 ZINC000415052753 565972068 /nfs/dbraw/zinc/97/20/68/565972068.db2.gz NPXLAKLVNGDMEV-RHSMWYFYSA-N 2 2 377.330 3.369 10 0 GGAELP [NH3+]C[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415101515 565972739 /nfs/dbraw/zinc/97/27/39/565972739.db2.gz CCMBAIRSYKFFSI-CQSZACIVSA-N 2 2 382.327 3.122 10 0 GGAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)CCCO1 ZINC000415101515 565972744 /nfs/dbraw/zinc/97/27/44/565972744.db2.gz CCMBAIRSYKFFSI-CQSZACIVSA-N 2 2 382.327 3.122 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425929 565989406 /nfs/dbraw/zinc/98/94/06/565989406.db2.gz KYPCJCNBTGHVNO-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425929 565989408 /nfs/dbraw/zinc/98/94/08/565989408.db2.gz KYPCJCNBTGHVNO-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425929 565989410 /nfs/dbraw/zinc/98/94/10/565989410.db2.gz KYPCJCNBTGHVNO-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C)cc2Br)[C@@H](C)C1 ZINC000245425929 565989412 /nfs/dbraw/zinc/98/94/12/565989412.db2.gz KYPCJCNBTGHVNO-WMLDXEAASA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431448 565989665 /nfs/dbraw/zinc/98/96/65/565989665.db2.gz OAIGBGSCBFVKRX-MPGHIAIKSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431448 565989674 /nfs/dbraw/zinc/98/96/74/565989674.db2.gz OAIGBGSCBFVKRX-MPGHIAIKSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431448 565989680 /nfs/dbraw/zinc/98/96/80/565989680.db2.gz OAIGBGSCBFVKRX-MPGHIAIKSA-N 2 2 396.373 3.288 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000245431448 565989684 /nfs/dbraw/zinc/98/96/84/565989684.db2.gz OAIGBGSCBFVKRX-MPGHIAIKSA-N 2 2 396.373 3.288 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429655 565989734 /nfs/dbraw/zinc/98/97/34/565989734.db2.gz NFIQGSGXGGCEPJ-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429655 565989742 /nfs/dbraw/zinc/98/97/42/565989742.db2.gz NFIQGSGXGGCEPJ-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429655 565989747 /nfs/dbraw/zinc/98/97/47/565989747.db2.gz NFIQGSGXGGCEPJ-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(Br)c(C)c2)[C@@H](C)C1 ZINC000245429655 565989754 /nfs/dbraw/zinc/98/97/54/565989754.db2.gz NFIQGSGXGGCEPJ-YOEHRIQHSA-N 2 2 382.346 3.358 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058842 /nfs/dbraw/zinc/05/88/42/566058842.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 2 396.373 3.070 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058845 /nfs/dbraw/zinc/05/88/45/566058845.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058849 /nfs/dbraw/zinc/05/88/49/566058849.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 2 396.373 3.070 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058853 /nfs/dbraw/zinc/05/88/53/566058853.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 2 396.373 3.070 10 0 GGAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ncc(Br)s2)nc[nH+]1 ZINC000180573585 566073311 /nfs/dbraw/zinc/07/33/11/566073311.db2.gz CIXJEMWBFYPHMG-WDEREUQCSA-N 2 2 397.346 3.057 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261807621 566135031 /nfs/dbraw/zinc/13/50/31/566135031.db2.gz RHIOAGCSUZNLRG-WBVHZDCISA-N 2 2 377.941 3.034 10 0 GGAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261807621 566135036 /nfs/dbraw/zinc/13/50/36/566135036.db2.gz RHIOAGCSUZNLRG-WBVHZDCISA-N 2 2 377.941 3.034 10 0 GGAELP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261958485 566142122 /nfs/dbraw/zinc/14/21/22/566142122.db2.gz OIRRCYPJIUDPFS-FUNVUKJBSA-N 2 2 386.721 3.256 10 0 GGAELP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261958485 566142126 /nfs/dbraw/zinc/14/21/26/566142126.db2.gz OIRRCYPJIUDPFS-FUNVUKJBSA-N 2 2 386.721 3.256 10 0 GGAELP OC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000291068750 566203875 /nfs/dbraw/zinc/20/38/75/566203875.db2.gz DXFQKTQIMDNGGW-HNNXBMFYSA-N 2 2 395.263 3.489 10 0 GGAELP COc1cc(Br)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368075166 566229805 /nfs/dbraw/zinc/22/98/05/566229805.db2.gz KTYUGLIHNGTVQQ-XYJFISCASA-N 2 2 383.330 3.141 10 0 GGAELP COc1cc(Br)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368075166 566229806 /nfs/dbraw/zinc/22/98/06/566229806.db2.gz KTYUGLIHNGTVQQ-XYJFISCASA-N 2 2 383.330 3.141 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368098954 566230582 /nfs/dbraw/zinc/23/05/82/566230582.db2.gz DHRHBFZDVMRQRX-FZMZJTMJSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368098954 566230584 /nfs/dbraw/zinc/23/05/84/566230584.db2.gz DHRHBFZDVMRQRX-FZMZJTMJSA-N 2 2 377.286 3.036 10 0 GGAELP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccccc1Br ZINC000419258464 566231584 /nfs/dbraw/zinc/23/15/84/566231584.db2.gz BFLWHXSFBWKDIE-CYBMUJFWSA-N 2 2 380.330 3.383 10 0 GGAELP Cn1cc[nH+]c1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368665731 566243884 /nfs/dbraw/zinc/24/38/84/566243884.db2.gz ICOHPIZDJJJTBY-UHFFFAOYSA-N 2 2 377.330 3.279 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)C1 ZINC000668741547 566262940 /nfs/dbraw/zinc/26/29/40/566262940.db2.gz UFGRHEOMUNWKSW-QGZVFWFLSA-N 2 2 383.319 3.300 10 0 GGAELP O[C@@H]1CC[N@H+](C2CC[NH+](CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)C1 ZINC000668741547 566262945 /nfs/dbraw/zinc/26/29/45/566262945.db2.gz UFGRHEOMUNWKSW-QGZVFWFLSA-N 2 2 383.319 3.300 10 0 GGAELP Brc1ccc(-c2nccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420352673 566274602 /nfs/dbraw/zinc/27/46/02/566274602.db2.gz ZNEMDRPFRKHGIA-LJQANCHMSA-N 2 2 387.325 3.482 10 0 GGAELP Brc1ccc(-c2nccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000420352673 566274606 /nfs/dbraw/zinc/27/46/06/566274606.db2.gz ZNEMDRPFRKHGIA-LJQANCHMSA-N 2 2 387.325 3.482 10 0 GGAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000556246224 566278746 /nfs/dbraw/zinc/27/87/46/566278746.db2.gz ITFOXJIVDWCTDW-VCBZYWHSSA-N 2 2 392.341 3.280 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000482236238 566296042 /nfs/dbraw/zinc/29/60/42/566296042.db2.gz GOKXTAXMAPAGLC-RDJZCZTQSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000482236238 566296047 /nfs/dbraw/zinc/29/60/47/566296047.db2.gz GOKXTAXMAPAGLC-RDJZCZTQSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000482236239 566296110 /nfs/dbraw/zinc/29/61/10/566296110.db2.gz GOKXTAXMAPAGLC-WBVHZDCISA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000482236239 566296121 /nfs/dbraw/zinc/29/61/21/566296121.db2.gz GOKXTAXMAPAGLC-WBVHZDCISA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000482240438 566296868 /nfs/dbraw/zinc/29/68/68/566296868.db2.gz GFPGHYXHMZYWRC-CJNGLKHVSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000482240438 566296877 /nfs/dbraw/zinc/29/68/77/566296877.db2.gz GFPGHYXHMZYWRC-CJNGLKHVSA-N 2 2 388.293 3.053 10 0 GGAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247087 566297117 /nfs/dbraw/zinc/29/71/17/566297117.db2.gz RIEHRKBHRZXAIF-DOTOQJQBSA-N 2 2 383.330 3.363 10 0 GGAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482247087 566297121 /nfs/dbraw/zinc/29/71/21/566297121.db2.gz RIEHRKBHRZXAIF-DOTOQJQBSA-N 2 2 383.330 3.363 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600587 566315467 /nfs/dbraw/zinc/31/54/67/566315467.db2.gz HHJXNZNHAYSSEQ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600587 566315473 /nfs/dbraw/zinc/31/54/73/566315473.db2.gz HHJXNZNHAYSSEQ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600587 566315481 /nfs/dbraw/zinc/31/54/81/566315481.db2.gz HHJXNZNHAYSSEQ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2Br)[C@H](C)C1 ZINC000556600587 566315487 /nfs/dbraw/zinc/31/54/87/566315487.db2.gz HHJXNZNHAYSSEQ-CXAGYDPISA-N 2 2 383.330 3.398 10 0 GGAELP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(Br)c1 ZINC000556594525 566315519 /nfs/dbraw/zinc/31/55/19/566315519.db2.gz BIARGWHCKSDTRV-UHFFFAOYSA-N 2 2 381.314 3.342 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1Br ZINC000556939069 566348549 /nfs/dbraw/zinc/34/85/49/566348549.db2.gz APFVLESPGNQICG-TVQRCGJNSA-N 2 2 392.135 3.308 10 0 GGAELP C[C@H](c1cccc(Br)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000483240686 566365680 /nfs/dbraw/zinc/36/56/80/566365680.db2.gz UPWGSEIHWXYUBA-CQSZACIVSA-N 2 2 390.329 3.188 10 0 GGAELP C[C@@H](c1cccc(Br)c1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000483240684 566366562 /nfs/dbraw/zinc/36/65/62/566366562.db2.gz UPWGSEIHWXYUBA-AWEZNQCLSA-N 2 2 390.329 3.188 10 0 GGAELP CC(C)(CNc1cc[nH+]c2c(Br)cccc12)[NH+]1CCS(=O)CC1 ZINC000446851287 566370027 /nfs/dbraw/zinc/37/00/27/566370027.db2.gz HWHTUOSBGQYDRE-UHFFFAOYSA-N 2 2 396.354 3.252 10 0 GGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951976 566370268 /nfs/dbraw/zinc/37/02/68/566370268.db2.gz HOIPLXUXUQMBAJ-DEYYWGMASA-N 2 2 397.357 3.344 10 0 GGAELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951976 566370270 /nfs/dbraw/zinc/37/02/70/566370270.db2.gz HOIPLXUXUQMBAJ-DEYYWGMASA-N 2 2 397.357 3.344 10 0 GGAELP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951977 566370397 /nfs/dbraw/zinc/37/03/97/566370397.db2.gz HOIPLXUXUQMBAJ-GLJUWKHASA-N 2 2 397.357 3.344 10 0 GGAELP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Br)cc1OCCCO ZINC000462951977 566370399 /nfs/dbraw/zinc/37/03/99/566370399.db2.gz HOIPLXUXUQMBAJ-GLJUWKHASA-N 2 2 397.357 3.344 10 0 GGAELP O[C@@H](C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC(F)(F)F ZINC000510952743 566422808 /nfs/dbraw/zinc/42/28/08/566422808.db2.gz PYPYJWMUFWNOSH-LLVKDONJSA-N 2 2 396.207 3.054 10 0 GGAELP O[C@@H](C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1)CC(F)(F)F ZINC000510952743 566422813 /nfs/dbraw/zinc/42/28/13/566422813.db2.gz PYPYJWMUFWNOSH-LLVKDONJSA-N 2 2 396.207 3.054 10 0 GGAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)CC2 ZINC000626615210 566430236 /nfs/dbraw/zinc/43/02/36/566430236.db2.gz WHOAYNBIYXSTRM-ZDUSSCGKSA-N 2 2 391.313 3.217 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)CC3CCCC3)[nH+]c12 ZINC000577624173 566451298 /nfs/dbraw/zinc/45/12/98/566451298.db2.gz RHFACXWUZKEBIE-QGZVFWFLSA-N 2 2 380.330 3.479 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422563124 566456439 /nfs/dbraw/zinc/45/64/39/566456439.db2.gz RSYBLBBMMGQISD-UHFFFAOYSA-N 2 2 375.314 3.271 10 0 GGAELP Clc1cc(Cl)c(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422837840 566463195 /nfs/dbraw/zinc/46/31/95/566463195.db2.gz NCHRQZKRZKZBEP-LSDHHAIUSA-N 2 2 379.715 3.382 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422871586 566463223 /nfs/dbraw/zinc/46/32/23/566463223.db2.gz DEAKSGRXOZLQKJ-LNSITVRQSA-N 2 2 376.854 3.453 10 0 GGAELP C[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422871588 566463279 /nfs/dbraw/zinc/46/32/79/566463279.db2.gz DEAKSGRXOZLQKJ-OSAQELSMSA-N 2 2 376.854 3.453 10 0 GGAELP FC(F)Oc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422876883 566464837 /nfs/dbraw/zinc/46/48/37/566464837.db2.gz QVXSFRBIJGVUNW-ZIAGYGMSSA-N 2 2 381.250 3.451 10 0 GGAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000423025473 566469350 /nfs/dbraw/zinc/46/93/50/566469350.db2.gz OJTOXHPNRNXKEE-GXFFZTMASA-N 2 2 381.236 3.325 10 0 GGAELP Clc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cs2)cc1 ZINC000423018020 566469826 /nfs/dbraw/zinc/46/98/26/566469826.db2.gz XXPZHWFIHFQVIO-MSOLQXFVSA-N 2 2 377.941 3.363 10 0 GGAELP Fc1ccc(Br)c2c1CC[C@@H]2Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423233090 566482095 /nfs/dbraw/zinc/48/20/95/566482095.db2.gz NWYOPXGKLXSJHH-INIZCTEOSA-N 2 2 391.288 3.492 10 0 GGAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C2 ZINC000558564340 566486691 /nfs/dbraw/zinc/48/66/91/566486691.db2.gz MJFOOSVRSAGYHZ-CYBMUJFWSA-N 2 2 391.313 3.217 10 0 GGAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4cc(Cl)sc4[nH]3)CC2)CC1 ZINC000578059045 566487820 /nfs/dbraw/zinc/48/78/20/566487820.db2.gz VJFKBWPWBROOEW-UHFFFAOYSA-N 2 2 380.945 3.171 10 0 GGAELP Cc1cc(N2CC[C@@H]([NH2+]Cc3c[nH+]cn3C(C)C)C2=O)ccc1Br ZINC000424179080 566518240 /nfs/dbraw/zinc/51/82/40/566518240.db2.gz SHDXCZWUHXSBNP-QGZVFWFLSA-N 2 2 391.313 3.430 10 0 GGAELP Clc1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)s1 ZINC000449078585 566528210 /nfs/dbraw/zinc/52/82/10/566528210.db2.gz VREATWNMUMBSOU-UHFFFAOYSA-N 2 2 386.352 3.147 10 0 GGAELP Brc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc2c1OCCO2 ZINC000512389298 566530561 /nfs/dbraw/zinc/53/05/61/566530561.db2.gz JLOPLUDQDXUEGM-UHFFFAOYSA-N 2 2 378.270 3.323 10 0 GGAELP CCOc1c(Br)cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626406 566539038 /nfs/dbraw/zinc/53/90/38/566539038.db2.gz NBPQLUIPBYHWMI-GOSISDBHSA-N 2 2 383.330 3.432 10 0 GGAELP CCOc1c(Br)cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000578626406 566539044 /nfs/dbraw/zinc/53/90/44/566539044.db2.gz NBPQLUIPBYHWMI-GOSISDBHSA-N 2 2 383.330 3.432 10 0 GGAELP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)sc3Cl)CC2)CC1 ZINC000449325801 566550232 /nfs/dbraw/zinc/55/02/32/566550232.db2.gz PRNIRHIWKQOMAF-UHFFFAOYSA-N 2 2 376.353 3.041 10 0 GGAELP O=S1(=O)CCC(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000539053579 566555956 /nfs/dbraw/zinc/55/59/56/566555956.db2.gz IQQYELKNIUOUNE-UHFFFAOYSA-N 2 2 384.973 3.109 10 0 GGAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000449510129 566571596 /nfs/dbraw/zinc/57/15/96/566571596.db2.gz KKKOUCPXCCOJLK-CABCVRRESA-N 2 2 380.286 3.227 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(Br)c1 ZINC000513647435 566616106 /nfs/dbraw/zinc/61/61/06/566616106.db2.gz JEWWJJYEGCYXKJ-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(Br)c1 ZINC000513647435 566616109 /nfs/dbraw/zinc/61/61/09/566616109.db2.gz JEWWJJYEGCYXKJ-SFHVURJKSA-N 2 2 380.374 3.359 10 0 GGAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096828 566643210 /nfs/dbraw/zinc/64/32/10/566643210.db2.gz UTFXBIZQEOEKDZ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096828 566643213 /nfs/dbraw/zinc/64/32/13/566643213.db2.gz UTFXBIZQEOEKDZ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096828 566643219 /nfs/dbraw/zinc/64/32/19/566643219.db2.gz UTFXBIZQEOEKDZ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)ccc2C(=O)OC)[C@@H](C)C1 ZINC000514096828 566643224 /nfs/dbraw/zinc/64/32/24/566643224.db2.gz UTFXBIZQEOEKDZ-SUMWQHHRSA-N 2 2 383.330 3.398 10 0 GGAELP COc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc(Br)c1OC(F)F ZINC000629385165 566652163 /nfs/dbraw/zinc/65/21/63/566652163.db2.gz QPXHWPHHRDMDEP-ZDUSSCGKSA-N 2 2 391.256 3.433 10 0 GGAELP COc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc(Br)c1OC(F)F ZINC000629396168 566652460 /nfs/dbraw/zinc/65/24/60/566652460.db2.gz JJFHSPKJZDLBGN-ONGXEEELSA-N 2 2 379.245 3.289 10 0 GGAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000629391119 566652722 /nfs/dbraw/zinc/65/27/22/566652722.db2.gz VUGHKKDLRNOMNW-QWHCGFSZSA-N 2 2 392.135 3.450 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000629516849 566662209 /nfs/dbraw/zinc/66/22/09/566662209.db2.gz SMWZVMYLGYDYCL-HFTRVMKXSA-N 2 2 392.341 3.166 10 0 GGAELP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000629516849 566662214 /nfs/dbraw/zinc/66/22/14/566662214.db2.gz SMWZVMYLGYDYCL-HFTRVMKXSA-N 2 2 392.341 3.166 10 0 GGAELP Clc1cc(Br)cnc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591990 566669571 /nfs/dbraw/zinc/66/95/71/566669571.db2.gz XXSVGWROGIZSLR-CQSZACIVSA-N 2 2 388.737 3.088 10 0 GGAELP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594080 566670358 /nfs/dbraw/zinc/67/03/58/566670358.db2.gz JQWHWCNYIDMPRQ-GDBMZVCRSA-N 2 2 385.371 3.421 10 0 GGAELP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCSc2ccc(Br)cc21)C1CC1 ZINC000629594080 566670365 /nfs/dbraw/zinc/67/03/65/566670365.db2.gz JQWHWCNYIDMPRQ-GDBMZVCRSA-N 2 2 385.371 3.421 10 0 GGAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000629598176 566670451 /nfs/dbraw/zinc/67/04/51/566670451.db2.gz VGUMMSHGPYRRBY-HNNXBMFYSA-N 2 2 399.279 3.310 10 0 GGAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F ZINC000629598176 566670460 /nfs/dbraw/zinc/67/04/60/566670460.db2.gz VGUMMSHGPYRRBY-HNNXBMFYSA-N 2 2 399.279 3.310 10 0 GGAELP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000675929491 566670767 /nfs/dbraw/zinc/67/07/67/566670767.db2.gz IGLXYWWVYUBXRS-QGZVFWFLSA-N 2 2 383.330 3.363 10 0 GGAELP O=C(CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603266 566672729 /nfs/dbraw/zinc/67/27/29/566672729.db2.gz LSIOTVNPMLZAJK-KRWDZBQOSA-N 2 2 380.330 3.384 10 0 GGAELP O=C(CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Nc1cccc(Br)c1 ZINC000629603266 566672732 /nfs/dbraw/zinc/67/27/32/566672732.db2.gz LSIOTVNPMLZAJK-KRWDZBQOSA-N 2 2 380.330 3.384 10 0 GGAELP [NH3+]C1(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CCOCC1 ZINC000629655665 566677354 /nfs/dbraw/zinc/67/73/54/566677354.db2.gz XISGOBQUVSOPNH-UHFFFAOYSA-N 2 2 382.327 3.170 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629659598 566677375 /nfs/dbraw/zinc/67/73/75/566677375.db2.gz CUHDZZMOEPQHSZ-WBMJQRKESA-N 2 2 377.330 3.482 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(Br)c1 ZINC000541229076 566704378 /nfs/dbraw/zinc/70/43/78/566704378.db2.gz KIVNUBZSFDZXQQ-XJKSGUPXSA-N 2 2 391.313 3.024 10 0 GGAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(Br)c1 ZINC000541229073 566704950 /nfs/dbraw/zinc/70/49/50/566704950.db2.gz KIVNUBZSFDZXQQ-BBRMVZONSA-N 2 2 391.313 3.024 10 0 GGAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000580729603 566718326 /nfs/dbraw/zinc/71/83/26/566718326.db2.gz FVBKVZFLCRFQSM-MRXNPFEDSA-N 2 2 391.265 3.284 10 0 GGAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000580729603 566718333 /nfs/dbraw/zinc/71/83/33/566718333.db2.gz FVBKVZFLCRFQSM-MRXNPFEDSA-N 2 2 391.265 3.284 10 0 GGAELP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000581129927 566751796 /nfs/dbraw/zinc/75/17/96/566751796.db2.gz CWFQXFWAPVHLPM-YJBOKZPZSA-N 2 2 394.357 3.092 10 0 GGAELP Ic1cccc(C[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000451196230 566775979 /nfs/dbraw/zinc/77/59/79/566775979.db2.gz WBRRCJSNJCYLQI-MRXNPFEDSA-N 2 2 395.288 3.442 10 0 GGAELP Ic1cccc(C[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000451196230 566775983 /nfs/dbraw/zinc/77/59/83/566775983.db2.gz WBRRCJSNJCYLQI-MRXNPFEDSA-N 2 2 395.288 3.442 10 0 GGAELP COCCC[NH+]1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631061237 566776329 /nfs/dbraw/zinc/77/63/29/566776329.db2.gz MTQXYHBERHVSNM-UHFFFAOYSA-N 2 2 376.726 3.088 10 0 GGAELP C[C@H](C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(S(C)(=O)=O)cc1 ZINC000631269198 566794265 /nfs/dbraw/zinc/79/42/65/566794265.db2.gz ILHJOXRSVYPPIN-CQSZACIVSA-N 2 2 375.519 3.231 10 0 GGAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517037871 566802827 /nfs/dbraw/zinc/80/28/27/566802827.db2.gz VCFYVRITVQZRCW-ZBFHGGJFSA-N 2 2 377.838 3.103 10 0 GGAELP CC(C)[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000517037871 566802829 /nfs/dbraw/zinc/80/28/29/566802829.db2.gz VCFYVRITVQZRCW-ZBFHGGJFSA-N 2 2 377.838 3.103 10 0 GGAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711137 566838414 /nfs/dbraw/zinc/83/84/14/566838414.db2.gz HCODPUQWYBXNIB-SUMWQHHRSA-N 2 2 385.321 3.362 10 0 GGAELP Brc1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)[nH]2)cc1 ZINC000562959594 566839328 /nfs/dbraw/zinc/83/93/28/566839328.db2.gz YSAPPUSWYMYGKX-BZUAXINKSA-N 2 2 390.329 3.245 10 0 GGAELP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ncc(Br)cn1 ZINC000582235390 566842452 /nfs/dbraw/zinc/84/24/52/566842452.db2.gz CHCAZGJYGOHDJD-WBHUJUFNSA-N 2 2 389.297 3.146 10 0 GGAELP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757751 566844403 /nfs/dbraw/zinc/84/44/03/566844403.db2.gz KQIXVLNLYPWJCQ-CZUORRHYSA-N 2 2 383.330 3.362 10 0 GGAELP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000655776950 566847178 /nfs/dbraw/zinc/84/71/78/566847178.db2.gz NKRNFEDNGQEMRT-OAHLLOKOSA-N 2 2 386.297 3.313 10 0 GGAELP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000655776950 566847183 /nfs/dbraw/zinc/84/71/83/566847183.db2.gz NKRNFEDNGQEMRT-OAHLLOKOSA-N 2 2 386.297 3.313 10 0 GGAELP Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136149 566858441 /nfs/dbraw/zinc/85/84/41/566858441.db2.gz AUTQGRUDJVSYPP-SFHVURJKSA-N 2 2 375.314 3.415 10 0 GGAELP Brc1ccc(-c2c[nH]c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563136149 566858447 /nfs/dbraw/zinc/85/84/47/566858447.db2.gz AUTQGRUDJVSYPP-SFHVURJKSA-N 2 2 375.314 3.415 10 0 GGAELP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481833 566866501 /nfs/dbraw/zinc/86/65/01/566866501.db2.gz JCKVFXMKDLHZGX-ZDUSSCGKSA-N 2 2 381.236 3.013 10 0 GGAELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000582481833 566866512 /nfs/dbraw/zinc/86/65/12/566866512.db2.gz JCKVFXMKDLHZGX-ZDUSSCGKSA-N 2 2 381.236 3.013 10 0 GGAELP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)CC2 ZINC000582729261 566889645 /nfs/dbraw/zinc/88/96/45/566889645.db2.gz IWMAGUZITXTVCH-AWEZNQCLSA-N 2 2 391.313 3.217 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005701 566897950 /nfs/dbraw/zinc/89/79/50/566897950.db2.gz SFAYJCKHCSRJEI-KBXCAEBGSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1Br ZINC000429005701 566897954 /nfs/dbraw/zinc/89/79/54/566897954.db2.gz SFAYJCKHCSRJEI-KBXCAEBGSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1Br ZINC000429005701 566897957 /nfs/dbraw/zinc/89/79/57/566897957.db2.gz SFAYJCKHCSRJEI-KBXCAEBGSA-N 2 2 380.330 3.112 10 0 GGAELP Cc1cc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1Br ZINC000429005701 566897964 /nfs/dbraw/zinc/89/79/64/566897964.db2.gz SFAYJCKHCSRJEI-KBXCAEBGSA-N 2 2 380.330 3.112 10 0 GGAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(Cl)s1 ZINC000680406884 566907595 /nfs/dbraw/zinc/90/75/95/566907595.db2.gz HDKJWXXFZVYBSE-CYBMUJFWSA-N 2 2 383.970 3.458 10 0 GGAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227999 566937297 /nfs/dbraw/zinc/93/72/97/566937297.db2.gz QPLDTAZRKYJCPH-YOEHRIQHSA-N 2 2 386.367 3.314 10 0 GGAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227999 566937301 /nfs/dbraw/zinc/93/73/01/566937301.db2.gz QPLDTAZRKYJCPH-YOEHRIQHSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227999 566937310 /nfs/dbraw/zinc/93/73/10/566937310.db2.gz QPLDTAZRKYJCPH-YOEHRIQHSA-N 2 2 386.367 3.314 10 0 GGAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000471227999 566937317 /nfs/dbraw/zinc/93/73/17/566937317.db2.gz QPLDTAZRKYJCPH-YOEHRIQHSA-N 2 2 386.367 3.314 10 0 GGAELP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962080 567000096 /nfs/dbraw/zinc/00/00/96/567000096.db2.gz CWNSIQQPYKJOEX-GUYCJALGSA-N 2 2 380.323 3.490 10 0 GGAELP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962080 567000097 /nfs/dbraw/zinc/00/00/97/567000097.db2.gz CWNSIQQPYKJOEX-GUYCJALGSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962080 567000102 /nfs/dbraw/zinc/00/01/02/567000102.db2.gz CWNSIQQPYKJOEX-GUYCJALGSA-N 2 2 380.323 3.490 10 0 GGAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000583962080 567000105 /nfs/dbraw/zinc/00/01/05/567000105.db2.gz CWNSIQQPYKJOEX-GUYCJALGSA-N 2 2 380.323 3.490 10 0 GGAELP Cc1nc(N2CC[NH+](C[C@@H](C)c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000544927438 567007463 /nfs/dbraw/zinc/00/74/63/567007463.db2.gz CHDIXQLTTKQIDY-CQSZACIVSA-N 2 2 375.314 3.473 10 0 GGAELP Cc1nc(N2CC[NH+](C[C@H](C)c3cccc(Br)c3)CC2)cc[nH+]1 ZINC000544927435 567007497 /nfs/dbraw/zinc/00/74/97/567007497.db2.gz CHDIXQLTTKQIDY-AWEZNQCLSA-N 2 2 375.314 3.473 10 0 GGAELP COC1([C@@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CCOCC1 ZINC000453197268 567061737 /nfs/dbraw/zinc/06/17/37/567061737.db2.gz RXSAPYVABFOQMY-CQSZACIVSA-N 2 2 396.329 3.121 10 0 GGAELP C[NH+]1CCC(CNc2ncc(Br)cc2F)([NH+]2CCCCC2)CC1 ZINC000682663737 567066106 /nfs/dbraw/zinc/06/61/06/567066106.db2.gz FIAUUPUAJSTVRM-UHFFFAOYSA-N 2 2 385.325 3.345 10 0 GGAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252785 567066403 /nfs/dbraw/zinc/06/64/03/567066403.db2.gz CENFJPCQFMNQSS-ZBFHGGJFSA-N 2 2 385.371 3.422 10 0 GGAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000453252785 567066407 /nfs/dbraw/zinc/06/64/07/567066407.db2.gz CENFJPCQFMNQSS-ZBFHGGJFSA-N 2 2 385.371 3.422 10 0 GGAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252782 567067846 /nfs/dbraw/zinc/06/78/46/567067846.db2.gz CENFJPCQFMNQSS-GOEBONIOSA-N 2 2 385.371 3.422 10 0 GGAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000453252782 567067850 /nfs/dbraw/zinc/06/78/50/567067850.db2.gz CENFJPCQFMNQSS-GOEBONIOSA-N 2 2 385.371 3.422 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)c(I)c1 ZINC000453248055 567067973 /nfs/dbraw/zinc/06/79/73/567067973.db2.gz ISDJSWCRGPRECL-MWLCHTKSSA-N 2 2 385.224 3.362 10 0 GGAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453248055 567067977 /nfs/dbraw/zinc/06/79/77/567067977.db2.gz ISDJSWCRGPRECL-MWLCHTKSSA-N 2 2 385.224 3.362 10 0 GGAELP O=C1[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000683366674 567117411 /nfs/dbraw/zinc/11/74/11/567117411.db2.gz HURQTIBZYRSOGJ-KRWDZBQOSA-N 2 2 389.297 3.157 10 0 GGAELP O=C1[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000683366675 567117686 /nfs/dbraw/zinc/11/76/86/567117686.db2.gz HURQTIBZYRSOGJ-QGZVFWFLSA-N 2 2 389.297 3.157 10 0 GGAELP CC1=CC[N@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000473997027 567124334 /nfs/dbraw/zinc/12/43/34/567124334.db2.gz TXFYERDWWZAWDF-UHFFFAOYSA-N 2 2 394.357 3.027 10 0 GGAELP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000473997027 567124340 /nfs/dbraw/zinc/12/43/40/567124340.db2.gz TXFYERDWWZAWDF-UHFFFAOYSA-N 2 2 394.357 3.027 10 0 GGAELP Cn1cc[nH+]c1CN1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000522713813 567126145 /nfs/dbraw/zinc/12/61/45/567126145.db2.gz RXSDFMRNQSQOBH-DUXPYHPUSA-N 2 2 389.341 3.404 10 0 GGAELP C[NH+](Cc1cccc(Br)c1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588690898 567134490 /nfs/dbraw/zinc/13/44/90/567134490.db2.gz KQWTWPIBQOLARM-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1cccc(Br)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588690898 567134494 /nfs/dbraw/zinc/13/44/94/567134494.db2.gz KQWTWPIBQOLARM-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000588690898 567134496 /nfs/dbraw/zinc/13/44/96/567134496.db2.gz KQWTWPIBQOLARM-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1cccc(Br)c1 ZINC000588690898 567134498 /nfs/dbraw/zinc/13/44/98/567134498.db2.gz KQWTWPIBQOLARM-IBGZPJMESA-N 2 2 377.326 3.374 10 0 GGAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595830 567180737 /nfs/dbraw/zinc/18/07/37/567180737.db2.gz DTKHGCTWMOVIRY-JONQDZQNSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474595830 567180740 /nfs/dbraw/zinc/18/07/40/567180740.db2.gz DTKHGCTWMOVIRY-JONQDZQNSA-N 2 2 383.989 3.426 10 0 GGAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(Br)cs1 ZINC000567009582 567211029 /nfs/dbraw/zinc/21/10/29/567211029.db2.gz UBBTUFAXENHBPG-WCQYABFASA-N 2 2 397.342 3.086 10 0 GGAELP Fc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000591353248 567278511 /nfs/dbraw/zinc/27/85/11/567278511.db2.gz DTCCHRNGBRKPIQ-AWEZNQCLSA-N 2 2 385.224 3.464 10 0 GGAELP Fc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(I)c1 ZINC000591353248 567278517 /nfs/dbraw/zinc/27/85/17/567278517.db2.gz DTCCHRNGBRKPIQ-AWEZNQCLSA-N 2 2 385.224 3.464 10 0 GGAELP CC[NH+](CC)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000591377152 567279474 /nfs/dbraw/zinc/27/94/74/567279474.db2.gz BDPGQZBVPJVGQJ-QGZVFWFLSA-N 2 2 382.346 3.029 10 0 GGAELP CN1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192131 567294544 /nfs/dbraw/zinc/29/45/44/567294544.db2.gz PRGSFZUULGYKQO-BXWFABGCSA-N 2 2 389.341 3.455 10 0 GGAELP CN1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1c1ccc(Br)cc1 ZINC000639192131 567294558 /nfs/dbraw/zinc/29/45/58/567294558.db2.gz PRGSFZUULGYKQO-BXWFABGCSA-N 2 2 389.341 3.455 10 0 GGAELP C[C@H](C[NH2+][C@H](C)c1cc(F)c(Br)cc1F)C[NH+]1CCOCC1 ZINC000527861373 567380606 /nfs/dbraw/zinc/38/06/06/567380606.db2.gz DFUTZSMNOVQYOT-VXGBXAGGSA-N 2 2 377.273 3.346 10 0 GGAELP COc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259572 567421838 /nfs/dbraw/zinc/42/18/38/567421838.db2.gz YWPRUFMSMBGVSZ-QFBILLFUSA-N 2 2 391.309 3.125 10 0 GGAELP COc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)cc1Br ZINC000662259571 567422158 /nfs/dbraw/zinc/42/21/58/567422158.db2.gz YWPRUFMSMBGVSZ-LPHOPBHVSA-N 2 2 391.309 3.125 10 0 GGAELP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(Br)cc3Cl)CC2)C1 ZINC000662281233 567423438 /nfs/dbraw/zinc/42/34/38/567423438.db2.gz KPZGJDCPJHMQCH-BBRMVZONSA-N 2 2 388.737 3.216 10 0 GGAELP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000662280156 567423457 /nfs/dbraw/zinc/42/34/57/567423457.db2.gz CXUATVOHQGVONH-SMDDNHRTSA-N 2 2 382.327 3.212 10 0 GGAELP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(Br)cc2Cl)CC1 ZINC000662284315 567424494 /nfs/dbraw/zinc/42/44/94/567424494.db2.gz XDLLQYUWFJXADL-ZBFHGGJFSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285443 567424746 /nfs/dbraw/zinc/42/47/46/567424746.db2.gz JUCZOFWOBXUJRG-NORZTCDRSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285443 567424750 /nfs/dbraw/zinc/42/47/50/567424750.db2.gz JUCZOFWOBXUJRG-NORZTCDRSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285439 567424758 /nfs/dbraw/zinc/42/47/58/567424758.db2.gz JUCZOFWOBXUJRG-GHJWDPDVSA-N 2 2 388.737 3.216 10 0 GGAELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ncc(Br)cc3Cl)C2)C1 ZINC000662285439 567424762 /nfs/dbraw/zinc/42/47/62/567424762.db2.gz JUCZOFWOBXUJRG-GHJWDPDVSA-N 2 2 388.737 3.216 10 0 GGAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569843016 567436178 /nfs/dbraw/zinc/43/61/78/567436178.db2.gz HKTVJPVOBLDVIP-YXJHDRRASA-N 2 2 394.357 3.172 10 0 GGAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2ncccc2c1Cl ZINC000528562855 567439072 /nfs/dbraw/zinc/43/90/72/567439072.db2.gz ZZESYASQUKTKAH-UHFFFAOYSA-N 2 2 380.945 3.048 10 0 GGAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1sc2ncccc2c1Cl ZINC000528562855 567439077 /nfs/dbraw/zinc/43/90/77/567439077.db2.gz ZZESYASQUKTKAH-UHFFFAOYSA-N 2 2 380.945 3.048 10 0 GGAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000551271378 567493195 /nfs/dbraw/zinc/49/31/95/567493195.db2.gz XCDUKKAJTKOBKD-YOEHRIQHSA-N 2 2 384.362 3.099 10 0 GGAELP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000479393762 567531942 /nfs/dbraw/zinc/53/19/42/567531942.db2.gz MXVWCXKUKJRSIX-HNNXBMFYSA-N 2 2 375.519 3.194 10 0 GGAELP COC(=O)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(Br)c1 ZINC000551806781 567537580 /nfs/dbraw/zinc/53/75/80/567537580.db2.gz UDGWKBMABWXICZ-UHFFFAOYSA-N 2 2 378.270 3.338 10 0 GGAELP Cc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(Br)c(C)[nH+]1 ZINC000664234745 567559789 /nfs/dbraw/zinc/55/97/89/567559789.db2.gz ACSHIXCVYRUPGB-MRXNPFEDSA-N 2 2 391.313 3.035 10 0 GGAELP Cc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Br)c(C)[nH+]1 ZINC000664234745 567559791 /nfs/dbraw/zinc/55/97/91/567559791.db2.gz ACSHIXCVYRUPGB-MRXNPFEDSA-N 2 2 391.313 3.035 10 0 GGAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031237 567562645 /nfs/dbraw/zinc/56/26/45/567562645.db2.gz DAGUYTYOTAMQBP-CZUORRHYSA-N 2 2 381.307 3.171 10 0 GGAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(Cl)c1 ZINC000530031460 567562657 /nfs/dbraw/zinc/56/26/57/567562657.db2.gz JWWUSQLLGUSJDF-CJNGLKHVSA-N 2 2 381.307 3.171 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)[nH+]c12 ZINC000552283461 567573290 /nfs/dbraw/zinc/57/32/90/567573290.db2.gz DPSFTJIXWQPNTL-KZNAEPCWSA-N 3 2 391.357 3.410 10 0 GGAELP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)[nH+]c12 ZINC000552283461 567573296 /nfs/dbraw/zinc/57/32/96/567573296.db2.gz DPSFTJIXWQPNTL-KZNAEPCWSA-N 3 2 391.357 3.410 10 0 GGAELP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(F)c(Br)cc43)CC2)C1 ZINC000664597944 567577418 /nfs/dbraw/zinc/57/74/18/567577418.db2.gz RFCNOJYWUPYUKN-CYBMUJFWSA-N 2 2 394.288 3.172 10 0 GGAELP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(F)c(Br)cc43)CC2)C1 ZINC000664597944 567577425 /nfs/dbraw/zinc/57/74/25/567577425.db2.gz RFCNOJYWUPYUKN-CYBMUJFWSA-N 2 2 394.288 3.172 10 0 GGAELP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(F)c3F)CC2)C1 ZINC000530223027 567584291 /nfs/dbraw/zinc/58/42/91/567584291.db2.gz JBZNDMAQFLFUFW-UKRRQHHQSA-N 2 2 389.284 3.446 10 0 GGAELP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226942 567585908 /nfs/dbraw/zinc/58/59/08/567585908.db2.gz VCOQPMRDLYVRBI-PBHICJAKSA-N 2 2 389.284 3.446 10 0 GGAELP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530226943 567586251 /nfs/dbraw/zinc/58/62/51/567586251.db2.gz VCOQPMRDLYVRBI-RHSMWYFYSA-N 2 2 389.284 3.446 10 0 GGAELP C[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244950 567587865 /nfs/dbraw/zinc/58/78/65/567587865.db2.gz RLYUUUVQAMTHLQ-YJBOKZPZSA-N 2 2 385.321 3.402 10 0 GGAELP C[C@](O)(C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(Br)cc1F ZINC000530244950 567587868 /nfs/dbraw/zinc/58/78/68/567587868.db2.gz RLYUUUVQAMTHLQ-YJBOKZPZSA-N 2 2 385.321 3.402 10 0 GGAELP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750616 567609000 /nfs/dbraw/zinc/60/90/00/567609000.db2.gz SZURXKZPNSKBLK-HNNXBMFYSA-N 2 2 390.316 3.371 10 0 GGAELP CN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(Br)cc2)C(F)F)CC1 ZINC000621750941 567609143 /nfs/dbraw/zinc/60/91/43/567609143.db2.gz ZFXCQSPOVXESHO-INIZCTEOSA-N 2 2 390.316 3.373 10 0 GGAELP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2cc(Br)ccc2o1 ZINC000665291849 567617213 /nfs/dbraw/zinc/61/72/13/567617213.db2.gz MHSDCXRZKXXUBD-VIFPVBQESA-N 2 2 377.242 3.000 10 0 GGAELP CC[NH+]1CCN(c2ccc(CNc3[nH+]ccc(C)c3Br)cn2)CC1 ZINC000552957887 567619461 /nfs/dbraw/zinc/61/94/61/567619461.db2.gz RDNNZXHBALFGPD-UHFFFAOYSA-N 2 2 390.329 3.302 10 0 GGAELP CN(C(=O)c1cscc1C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621914997 567620574 /nfs/dbraw/zinc/62/05/74/567620574.db2.gz OSQHCFBHMPDLDL-ZDUSSCGKSA-N 2 2 375.460 3.007 10 0 GGAELP CN(C(=O)c1cscc1C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621914997 567620578 /nfs/dbraw/zinc/62/05/78/567620578.db2.gz OSQHCFBHMPDLDL-ZDUSSCGKSA-N 2 2 375.460 3.007 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Br)c1O ZINC000459552016 567636206 /nfs/dbraw/zinc/63/62/06/567636206.db2.gz QEVMGOPWWXXBMG-ZDUSSCGKSA-N 2 2 380.286 3.276 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc(Br)c1O ZINC000459552016 567636210 /nfs/dbraw/zinc/63/62/10/567636210.db2.gz QEVMGOPWWXXBMG-ZDUSSCGKSA-N 2 2 380.286 3.276 10 0 GGAELP CCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Br)c1O ZINC000459552015 567636318 /nfs/dbraw/zinc/63/63/18/567636318.db2.gz QEVMGOPWWXXBMG-CYBMUJFWSA-N 2 2 380.286 3.276 10 0 GGAELP CCOc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc(Br)c1O ZINC000459552015 567636321 /nfs/dbraw/zinc/63/63/21/567636321.db2.gz QEVMGOPWWXXBMG-CYBMUJFWSA-N 2 2 380.286 3.276 10 0 GGAELP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667866 567648567 /nfs/dbraw/zinc/64/85/67/567648567.db2.gz SNLORWFFLKISFD-UHFFFAOYSA-N 2 2 388.313 3.317 10 0 GGAELP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1C ZINC000597134503 567683422 /nfs/dbraw/zinc/68/34/22/567683422.db2.gz HIQVCRUQRTZFOL-HNNXBMFYSA-N 2 2 395.288 3.398 10 0 GGAELP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Cc3cccc(I)c3)C2)n1C ZINC000597134503 567683429 /nfs/dbraw/zinc/68/34/29/567683429.db2.gz HIQVCRUQRTZFOL-HNNXBMFYSA-N 2 2 395.288 3.398 10 0 GGAELP COc1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc(Br)c1O ZINC000623088459 567684412 /nfs/dbraw/zinc/68/44/12/567684412.db2.gz MYRRCJMXJHQVHA-UHFFFAOYSA-N 2 2 393.272 3.230 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Br)c3cccnc13)CCO2 ZINC000646106308 567695184 /nfs/dbraw/zinc/69/51/84/567695184.db2.gz UCEPXJFDGVKONO-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Br)c3cccnc13)CCO2 ZINC000646106308 567695186 /nfs/dbraw/zinc/69/51/86/567695186.db2.gz UCEPXJFDGVKONO-UHFFFAOYSA-N 2 2 390.325 3.294 10 0 GGAELP COc1cc(Cl)c(Cl)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666868870 567709221 /nfs/dbraw/zinc/70/92/21/567709221.db2.gz GYKHJJUABUHPTO-UHFFFAOYSA-N 2 2 377.316 3.007 10 0 GGAELP COc1cc(Cl)c(Cl)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666868870 567709224 /nfs/dbraw/zinc/70/92/24/567709224.db2.gz GYKHJJUABUHPTO-UHFFFAOYSA-N 2 2 377.316 3.007 10 0 GGAELP COc1c(Br)cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1Br ZINC000666992493 567716939 /nfs/dbraw/zinc/71/69/39/567716939.db2.gz GNNDIDDCDCYVAF-NSHDSACASA-N 2 2 392.135 3.452 10 0 GGAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667079044 567722508 /nfs/dbraw/zinc/72/25/08/567722508.db2.gz LXDYPURBGMPKFT-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1C(F)(F)F ZINC000667079044 567722512 /nfs/dbraw/zinc/72/25/12/567722512.db2.gz LXDYPURBGMPKFT-UHFFFAOYSA-N 2 2 380.842 3.364 10 0 GGAELP Brc1cccc(-c2noc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824478 567738950 /nfs/dbraw/zinc/73/89/50/567738950.db2.gz YVWHBACVJZGNQK-HOCLYGCPSA-N 2 2 391.313 3.463 10 0 GGAELP Brc1cccc(-c2noc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000573824478 567738953 /nfs/dbraw/zinc/73/89/53/567738953.db2.gz YVWHBACVJZGNQK-HOCLYGCPSA-N 2 2 391.313 3.463 10 0 GGAELP CC[NH+](CC)CCSCC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000461513252 567739294 /nfs/dbraw/zinc/73/92/94/567739294.db2.gz FMDQVTMCTLFOTO-UHFFFAOYSA-N 2 2 383.989 3.059 10 0 GGAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000623883798 567744539 /nfs/dbraw/zinc/74/45/39/567744539.db2.gz MEDOSGHJHANJMD-MAUKXSAKSA-N 2 2 396.373 3.351 10 0 GGAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000623883798 567744544 /nfs/dbraw/zinc/74/45/44/567744544.db2.gz MEDOSGHJHANJMD-MAUKXSAKSA-N 2 2 396.373 3.351 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000623991996 567752178 /nfs/dbraw/zinc/75/21/78/567752178.db2.gz YOTLCSLFMXKWCH-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000623991996 567752179 /nfs/dbraw/zinc/75/21/79/567752179.db2.gz YOTLCSLFMXKWCH-OCCSQVGLSA-N 2 2 379.854 3.121 10 0 GGAELP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000624132808 567762267 /nfs/dbraw/zinc/76/22/67/567762267.db2.gz AGHGSBGRYBOBLX-UHFFFAOYSA-N 2 2 391.313 3.002 10 0 GGAELP Fc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1Br ZINC000624160907 567765611 /nfs/dbraw/zinc/76/56/11/567765611.db2.gz RIOOIABWYIOAND-ZDUSSCGKSA-N 2 2 375.257 3.070 10 0 GGAELP Cc1cc(Br)cn2c(CN3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c[nH+]c12 ZINC000647479703 567788105 /nfs/dbraw/zinc/78/81/05/567788105.db2.gz QJFVHSZUTRYYSE-RHSMWYFYSA-N 2 2 377.330 3.369 10 0 GGAELP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480743 567788657 /nfs/dbraw/zinc/78/86/57/567788657.db2.gz YKEQPOYLHZNWDV-CXAGYDPISA-N 2 2 383.330 3.430 10 0 GGAELP COc1cc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000647480743 567788661 /nfs/dbraw/zinc/78/86/61/567788661.db2.gz YKEQPOYLHZNWDV-CXAGYDPISA-N 2 2 383.330 3.430 10 0 GGAELP Brc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cn2)cc1 ZINC000647553932 567790536 /nfs/dbraw/zinc/79/05/36/567790536.db2.gz NJNNQQRJXQWUCD-QGZVFWFLSA-N 2 2 375.314 3.399 10 0 GGAELP Brc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc2c1OCCCO2 ZINC000647553792 567790605 /nfs/dbraw/zinc/79/06/05/567790605.db2.gz JPPFCTABFDOZGR-MRXNPFEDSA-N 2 2 381.314 3.375 10 0 GGAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901917 567805663 /nfs/dbraw/zinc/80/56/63/567805663.db2.gz XJRHYWPLFLRGNU-NVXWUHKLSA-N 2 2 384.351 3.116 10 0 GGAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000647901917 567805667 /nfs/dbraw/zinc/80/56/67/567805667.db2.gz XJRHYWPLFLRGNU-NVXWUHKLSA-N 2 2 384.351 3.116 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901564 567805993 /nfs/dbraw/zinc/80/59/93/567805993.db2.gz QMRRCTUNPYPYAC-HIFRSBDPSA-N 2 2 383.330 3.430 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Br)c1OC ZINC000647901564 567805997 /nfs/dbraw/zinc/80/59/97/567805997.db2.gz QMRRCTUNPYPYAC-HIFRSBDPSA-N 2 2 383.330 3.430 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899591 567806169 /nfs/dbraw/zinc/80/61/69/567806169.db2.gz PWZDEMOWVGFWME-KEYYUXOJSA-N 2 2 380.330 3.240 10 0 GGAELP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899591 567806170 /nfs/dbraw/zinc/80/61/70/567806170.db2.gz PWZDEMOWVGFWME-KEYYUXOJSA-N 2 2 380.330 3.240 10 0 GGAELP Brc1ccc(CN2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444621539 567809571 /nfs/dbraw/zinc/80/95/71/567809571.db2.gz SDRRILWKJNCSJT-UHFFFAOYSA-N 2 2 380.374 3.443 10 0 GGAELP Brc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000444621539 567809574 /nfs/dbraw/zinc/80/95/74/567809574.db2.gz SDRRILWKJNCSJT-UHFFFAOYSA-N 2 2 380.374 3.443 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000647995823 567810000 /nfs/dbraw/zinc/81/00/00/567810000.db2.gz KCLKVTIUWJYWSI-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000647995823 567810003 /nfs/dbraw/zinc/81/00/03/567810003.db2.gz KCLKVTIUWJYWSI-SFHVURJKSA-N 2 2 388.309 3.336 10 0 GGAELP Brc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000668534511 567813001 /nfs/dbraw/zinc/81/30/01/567813001.db2.gz RDEWASGSMOQVPO-UHFFFAOYSA-N 2 2 398.308 3.352 10 0 GGAELP COc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1C[NH+]1CCOCC1 ZINC000021719840 570294958 /nfs/dbraw/zinc/29/49/58/570294958.db2.gz QWUCYHALXHIPDX-HXUWFJFHSA-N 2 2 385.508 3.469 10 0 GGAELP COc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)cc1C[NH+]1CCOCC1 ZINC000021719840 570294960 /nfs/dbraw/zinc/29/49/60/570294960.db2.gz QWUCYHALXHIPDX-HXUWFJFHSA-N 2 2 385.508 3.469 10 0 GGAELP CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000034906600 570339120 /nfs/dbraw/zinc/33/91/20/570339120.db2.gz CYRPGWLXZVGMNU-UHFFFAOYSA-N 2 2 397.567 3.265 10 0 GGAELP CCCCn1c2ccccc2[nH+]c1N1CCC(C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000034909969 570340457 /nfs/dbraw/zinc/34/04/57/570340457.db2.gz RKUCOFNGYBIGFH-UHFFFAOYSA-N 2 2 397.567 3.217 10 0 GGAELP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427195 570483243 /nfs/dbraw/zinc/48/32/43/570483243.db2.gz DORMKVKLVIABCW-NVXWUHKLSA-N 2 2 386.471 3.075 10 0 GGAELP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cc1F ZINC000253427195 570483245 /nfs/dbraw/zinc/48/32/45/570483245.db2.gz DORMKVKLVIABCW-NVXWUHKLSA-N 2 2 386.471 3.075 10 0 GGAELP CC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340301 570625486 /nfs/dbraw/zinc/62/54/86/570625486.db2.gz LMUFGNBIJOISGW-OAQYLSRUSA-N 2 2 382.552 3.194 10 0 GGAELP Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1C ZINC000241884866 570688230 /nfs/dbraw/zinc/68/82/30/570688230.db2.gz SYKSCKJYZCLZKW-LJQANCHMSA-N 2 2 394.519 3.390 10 0 GGAELP Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)c1C ZINC000241884866 570688235 /nfs/dbraw/zinc/68/82/35/570688235.db2.gz SYKSCKJYZCLZKW-LJQANCHMSA-N 2 2 394.519 3.390 10 0 GGAELP Cc1ccc(OC2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)nc1 ZINC000242191266 570688823 /nfs/dbraw/zinc/68/88/23/570688823.db2.gz XEFPSCZMQZSZGZ-UHFFFAOYSA-N 2 2 394.563 3.446 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)[nH+]c2c1 ZINC000033070819 570802138 /nfs/dbraw/zinc/80/21/38/570802138.db2.gz MFHSFQCEDCKYBA-KRWDZBQOSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)[nH+]c2c1 ZINC000033070819 570802143 /nfs/dbraw/zinc/80/21/43/570802143.db2.gz MFHSFQCEDCKYBA-KRWDZBQOSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCC[N@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000033070819 570802147 /nfs/dbraw/zinc/80/21/47/570802147.db2.gz MFHSFQCEDCKYBA-KRWDZBQOSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)CC3)[nH]c2c1 ZINC000033070819 570802150 /nfs/dbraw/zinc/80/21/50/570802150.db2.gz MFHSFQCEDCKYBA-KRWDZBQOSA-N 2 2 383.540 3.078 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)[nH+]c2c1 ZINC000033070830 570802327 /nfs/dbraw/zinc/80/23/27/570802327.db2.gz OJFFEDYFXAABDM-GOSISDBHSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)CC3)[nH+]c2c1 ZINC000033070830 570802328 /nfs/dbraw/zinc/80/23/28/570802328.db2.gz OJFFEDYFXAABDM-GOSISDBHSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)CC3)[nH]c2c1 ZINC000033070830 570802329 /nfs/dbraw/zinc/80/23/29/570802329.db2.gz OJFFEDYFXAABDM-GOSISDBHSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)CC3)[nH]c2c1 ZINC000033070830 570802330 /nfs/dbraw/zinc/80/23/30/570802330.db2.gz OJFFEDYFXAABDM-GOSISDBHSA-N 2 2 397.567 3.326 10 0 GGAELP Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)[nH+]c2c1 ZINC000033070793 570802607 /nfs/dbraw/zinc/80/26/07/570802607.db2.gz NQXCFLZBCVXMQR-UHFFFAOYSA-N 2 2 383.540 3.080 10 0 GGAELP Cc1ccc2[nH+]c(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)[nH]c2c1 ZINC000033070793 570802611 /nfs/dbraw/zinc/80/26/11/570802611.db2.gz NQXCFLZBCVXMQR-UHFFFAOYSA-N 2 2 383.540 3.080 10 0 GGAELP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000033071788 570802831 /nfs/dbraw/zinc/80/28/31/570802831.db2.gz XVHRQSDIYHORQQ-SFHVURJKSA-N 2 2 383.540 3.162 10 0 GGAELP C[N@H+](CCNC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)Cc1ccccc1 ZINC000033071814 570803090 /nfs/dbraw/zinc/80/30/90/570803090.db2.gz BEUPGVJRELHVPN-IBGZPJMESA-N 2 2 391.519 3.028 10 0 GGAELP C[N@@H+](CCNC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)Cc1ccccc1 ZINC000033071814 570803092 /nfs/dbraw/zinc/80/30/92/570803092.db2.gz BEUPGVJRELHVPN-IBGZPJMESA-N 2 2 391.519 3.028 10 0 GGAELP Fc1cccc(C[NH+]2CCC([NH2+][C@H](Cc3nnc[nH]3)c3ccccc3)CC2)c1 ZINC000170601644 570859723 /nfs/dbraw/zinc/85/97/23/570859723.db2.gz YLWAOTYKKUJKOV-OAQYLSRUSA-N 2 2 379.483 3.482 10 0 GGAELP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019336000 1399329922 /nfs/dbraw/zinc/32/99/22/1399329922.db2.gz OTZNNAIMMLWHOV-NRFANRHFSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019336000 1399329924 /nfs/dbraw/zinc/32/99/24/1399329924.db2.gz OTZNNAIMMLWHOV-NRFANRHFSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019336000 1399329928 /nfs/dbraw/zinc/32/99/28/1399329928.db2.gz OTZNNAIMMLWHOV-NRFANRHFSA-N 2 2 388.943 3.460 10 0 GGAELP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnn(-c4cccc(Cl)c4)c3)C2)C1 ZINC000019336000 1399329931 /nfs/dbraw/zinc/32/99/31/1399329931.db2.gz OTZNNAIMMLWHOV-NRFANRHFSA-N 2 2 388.943 3.460 10 0 GGAELP CC[NH+]1CCC(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000047978926 1405014806 /nfs/dbraw/zinc/01/48/06/1405014806.db2.gz ADYRMRSQSGVTFO-SFHVURJKSA-N 2 2 396.938 3.400 10 0 GGAELP Clc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc2c1OCCO2 ZINC000048745593 1405279698 /nfs/dbraw/zinc/27/96/98/1405279698.db2.gz HGMPOMMPLOGVCY-UHFFFAOYSA-N 2 2 388.895 3.233 10 0 GGAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000060894245 1408047770 /nfs/dbraw/zinc/04/77/70/1408047770.db2.gz CKZFWNSUKBXMKR-KRWDZBQOSA-N 2 2 384.927 3.257 10 0 GGAELP Cc1oc2c(c1C(=O)NCC[NH+]1CCCC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065291960 1408659810 /nfs/dbraw/zinc/65/98/10/1408659810.db2.gz GNSRQAPFJPUHGJ-UHFFFAOYSA-N 2 2 385.483 3.111 10 0 GGAELP Cc1oc2c(c1C(=O)NCC[NH+]1CCCC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065291960 1408659814 /nfs/dbraw/zinc/65/98/14/1408659814.db2.gz GNSRQAPFJPUHGJ-UHFFFAOYSA-N 2 2 385.483 3.111 10 0 GGAELP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)c(F)c3)cc2)CC1 ZINC000065931874 1408756851 /nfs/dbraw/zinc/75/68/51/1408756851.db2.gz HLFUIUPMVDQERS-UHFFFAOYSA-N 2 2 375.875 3.157 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2csc(-c3ccsc3)n2)CC1 ZINC000066876662 1408939696 /nfs/dbraw/zinc/93/96/96/1408939696.db2.gz CZDKFLZFLGDVHK-UHFFFAOYSA-N 2 2 385.562 3.308 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000066876806 1408939718 /nfs/dbraw/zinc/93/97/18/1408939718.db2.gz ICMYLGJXVIWFGH-UHFFFAOYSA-N 2 2 397.523 3.386 10 0 GGAELP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095457024 1410311948 /nfs/dbraw/zinc/31/19/48/1410311948.db2.gz BMHVSVLPWVVMSQ-GOSISDBHSA-N 2 2 384.549 3.458 10 0 GGAELP O=C(Nc1nccs1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000095457024 1410311955 /nfs/dbraw/zinc/31/19/55/1410311955.db2.gz BMHVSVLPWVVMSQ-GOSISDBHSA-N 2 2 384.549 3.458 10 0 GGAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112709958 1412201037 /nfs/dbraw/zinc/20/10/37/1412201037.db2.gz GBUZZTWCGDGOBR-UHFFFAOYSA-N 2 2 396.869 3.378 10 0 GGAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)CCO1 ZINC000121687489 1414223945 /nfs/dbraw/zinc/22/39/45/1414223945.db2.gz GICCPFSAZFVREG-MRXNPFEDSA-N 2 2 384.911 3.498 10 0 GGAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3c(Cl)nc4ccccn43)c2)CCO1 ZINC000121687489 1414223952 /nfs/dbraw/zinc/22/39/52/1414223952.db2.gz GICCPFSAZFVREG-MRXNPFEDSA-N 2 2 384.911 3.498 10 0 GGAELP COc1ccc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000128997559 1416122313 /nfs/dbraw/zinc/12/23/13/1416122313.db2.gz CZPKAKNURZXYHW-MOPGFXCFSA-N 2 2 397.357 3.315 10 0 GGAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129442695 1416210581 /nfs/dbraw/zinc/21/05/81/1416210581.db2.gz BDOHURDCXPATKE-GUYCJALGSA-N 2 2 398.404 3.240 10 0 GGAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000129442695 1416210585 /nfs/dbraw/zinc/21/05/85/1416210585.db2.gz BDOHURDCXPATKE-GUYCJALGSA-N 2 2 398.404 3.240 10 0 GGAELP CCOc1c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559559 1417326135 /nfs/dbraw/zinc/32/61/35/1417326135.db2.gz BITAHNLNAUQTCO-NHCUHLMSSA-N 2 2 392.588 3.104 10 0 GGAELP CCOc1c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(C)nn1CC(C)C ZINC000136559591 1417326259 /nfs/dbraw/zinc/32/62/59/1417326259.db2.gz BITAHNLNAUQTCO-LEWJYISDSA-N 2 2 392.588 3.104 10 0 GGAELP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151199793 1417892661 /nfs/dbraw/zinc/89/26/61/1417892661.db2.gz ANTDJBVMUCJSNQ-HNNXBMFYSA-N 2 2 390.890 3.043 10 0 GGAELP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151199847 1417892710 /nfs/dbraw/zinc/89/27/10/1417892710.db2.gz ANTDJBVMUCJSNQ-OAHLLOKOSA-N 2 2 390.890 3.043 10 0 GGAELP Fc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ncccc12 ZINC000151433088 1417965982 /nfs/dbraw/zinc/96/59/82/1417965982.db2.gz GMCYOVABRPMNGU-UHFFFAOYSA-N 2 2 395.478 3.375 10 0 GGAELP C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)sc2C1 ZINC000152214499 1418175320 /nfs/dbraw/zinc/17/53/20/1418175320.db2.gz BJULRMDFTIJNIU-QGZVFWFLSA-N 2 2 384.593 3.305 10 0 GGAELP C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)sc2C1 ZINC000152214499 1418175324 /nfs/dbraw/zinc/17/53/24/1418175324.db2.gz BJULRMDFTIJNIU-QGZVFWFLSA-N 2 2 384.593 3.305 10 0 GGAELP CC(C)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153723705 1422722586 /nfs/dbraw/zinc/72/25/86/1422722586.db2.gz CVRKANCHBOQXCS-OAQYLSRUSA-N 2 2 394.519 3.081 10 0 GGAELP CC(C)(CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000153723705 1422722596 /nfs/dbraw/zinc/72/25/96/1422722596.db2.gz CVRKANCHBOQXCS-OAQYLSRUSA-N 2 2 394.519 3.081 10 0 GGAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000154299017 1422868988 /nfs/dbraw/zinc/86/89/88/1422868988.db2.gz BJTYYFOSDPGHJC-NPDDRXJXSA-N 2 2 395.551 3.386 10 0 GGAELP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000154299017 1422868989 /nfs/dbraw/zinc/86/89/89/1422868989.db2.gz BJTYYFOSDPGHJC-NPDDRXJXSA-N 2 2 395.551 3.386 10 0 GGAELP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155337885 1423322593 /nfs/dbraw/zinc/32/25/93/1423322593.db2.gz DEJDUCFKCZHEAL-GDBMZVCRSA-N 2 2 380.602 3.342 10 0 GGAELP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155337885 1423322606 /nfs/dbraw/zinc/32/26/06/1423322606.db2.gz DEJDUCFKCZHEAL-GDBMZVCRSA-N 2 2 380.602 3.342 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000156432273 1423809807 /nfs/dbraw/zinc/80/98/07/1423809807.db2.gz BSDURJYCWWXUGE-RBDMOPTHSA-N 2 2 384.524 3.288 10 0 GGAELP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C(C)C)cc1 ZINC000156432273 1423809809 /nfs/dbraw/zinc/80/98/09/1423809809.db2.gz BSDURJYCWWXUGE-RBDMOPTHSA-N 2 2 384.524 3.288 10 0 GGAELP Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(Br)c1 ZINC000160012791 1424562765 /nfs/dbraw/zinc/56/27/65/1424562765.db2.gz CXZUGHKULNMLNJ-UHFFFAOYSA-N 2 2 389.341 3.194 10 0 GGAELP Cc1cc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000162250507 1424831208 /nfs/dbraw/zinc/83/12/08/1424831208.db2.gz GFJWMVCZRSXDNO-UHFFFAOYSA-N 3 2 393.579 3.359 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000171521908 1425713443 /nfs/dbraw/zinc/71/34/43/1425713443.db2.gz WRVLUJFRRXDHSU-CQSZACIVSA-N 2 2 399.520 3.339 10 0 GGAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3c(cccc3OC)s2)C1 ZINC000171521908 1425713449 /nfs/dbraw/zinc/71/34/49/1425713449.db2.gz WRVLUJFRRXDHSU-CQSZACIVSA-N 2 2 399.520 3.339 10 0 GGAELP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)[C@@H]1CCCc2ccccc21 ZINC000171645580 1425771068 /nfs/dbraw/zinc/77/10/68/1425771068.db2.gz LVLBREYSOIIBJK-WIYYLYMNSA-N 2 2 378.520 3.351 10 0 GGAELP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)[C@@H]1CCCc2ccccc21 ZINC000171645580 1425771073 /nfs/dbraw/zinc/77/10/73/1425771073.db2.gz LVLBREYSOIIBJK-WIYYLYMNSA-N 2 2 378.520 3.351 10 0 GGAELP CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)[C@H]1CCCc2ccccc21 ZINC000171645584 1425771121 /nfs/dbraw/zinc/77/11/21/1425771121.db2.gz LVLBREYSOIIBJK-NQIIRXRSSA-N 2 2 378.520 3.351 10 0 GGAELP CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)[C@H]1CCCc2ccccc21 ZINC000171645584 1425771126 /nfs/dbraw/zinc/77/11/26/1425771126.db2.gz LVLBREYSOIIBJK-NQIIRXRSSA-N 2 2 378.520 3.351 10 0 GGAELP COc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268742 1425975949 /nfs/dbraw/zinc/97/59/49/1425975949.db2.gz NTLVBTKVWXKMMV-OAQYLSRUSA-N 2 2 384.520 3.031 10 0 GGAELP COc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000172268742 1425975955 /nfs/dbraw/zinc/97/59/55/1425975955.db2.gz NTLVBTKVWXKMMV-OAQYLSRUSA-N 2 2 384.520 3.031 10 0 GGAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294424 1427088860 /nfs/dbraw/zinc/08/88/60/1427088860.db2.gz AGZIYOQYNDKINM-QGZVFWFLSA-N 2 2 383.540 3.279 10 0 GGAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182238519 1430435009 /nfs/dbraw/zinc/43/50/09/1430435009.db2.gz ATUPIBUJOKHZBS-SFHVURJKSA-N 2 2 390.890 3.273 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000183921965 1430813528 /nfs/dbraw/zinc/81/35/28/1430813528.db2.gz CHQJBEISDTWZND-SJLPKXTDSA-N 2 2 386.565 3.055 10 0 GGAELP Cc1cnc(C(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000183921965 1430813530 /nfs/dbraw/zinc/81/35/30/1430813530.db2.gz CHQJBEISDTWZND-SJLPKXTDSA-N 2 2 386.565 3.055 10 0 GGAELP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346727 1430876127 /nfs/dbraw/zinc/87/61/27/1430876127.db2.gz DJUNIBGCGBNIAG-UHOSZYNNSA-N 2 2 386.565 3.271 10 0 GGAELP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(C)cs1 ZINC000184346727 1430876128 /nfs/dbraw/zinc/87/61/28/1430876128.db2.gz DJUNIBGCGBNIAG-UHOSZYNNSA-N 2 2 386.565 3.271 10 0 GGAELP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000195191429 1433305306 /nfs/dbraw/zinc/30/53/06/1433305306.db2.gz ZSCKAXNOHCIWOG-JOCHJYFZSA-N 2 2 388.556 3.283 10 0 GGAELP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237336759 1433398069 /nfs/dbraw/zinc/39/80/69/1433398069.db2.gz AVNOMVBJDAUOCG-MRXNPFEDSA-N 2 2 385.483 3.200 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245557285 1433484809 /nfs/dbraw/zinc/48/48/09/1433484809.db2.gz ATRXPYDRROUYMO-FUHIMQAGSA-N 2 2 398.507 3.358 10 0 GGAELP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245557285 1433484810 /nfs/dbraw/zinc/48/48/10/1433484810.db2.gz ATRXPYDRROUYMO-FUHIMQAGSA-N 2 2 398.507 3.358 10 0 GGAELP CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)[C@H]1CCCc2ccccc21 ZINC000246126504 1433571978 /nfs/dbraw/zinc/57/19/78/1433571978.db2.gz LVLBREYSOIIBJK-RXVVDRJESA-N 2 2 378.520 3.351 10 0 GGAELP CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)[C@H]1CCCc2ccccc21 ZINC000246126504 1433571979 /nfs/dbraw/zinc/57/19/79/1433571979.db2.gz LVLBREYSOIIBJK-RXVVDRJESA-N 2 2 378.520 3.351 10 0 GGAELP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000275200402 1435122417 /nfs/dbraw/zinc/12/24/17/1435122417.db2.gz GRXXLCQUKBJKBS-YJBOKZPZSA-N 2 2 396.938 3.209 10 0 GGAELP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000275200394 1435122481 /nfs/dbraw/zinc/12/24/81/1435122481.db2.gz GRXXLCQUKBJKBS-QAPCUYQASA-N 2 2 396.938 3.209 10 0 GGAELP