smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[NH2+]C[C@@H]2CNCCC2(F)F)c(C(F)(F)F)c1 ZINC000903956089 743905472 /nfs/dbraw/zinc/90/54/72/743905472.db2.gz GROIUCUPDISNBZ-LBPRGKRZSA-N 1 3 351.363 3.106 20 10 FGCDHO C[NH+](C)C1CCN(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000267209839 497503054 /nfs/dbraw/zinc/50/30/54/497503054.db2.gz QIKYKFLMUQNUOI-UHFFFAOYSA-N 1 3 353.510 3.175 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431477 727311130 /nfs/dbraw/zinc/31/11/30/727311130.db2.gz NQQOBWRDKKCBCB-CYBMUJFWSA-N 1 3 353.304 3.427 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431477 727311133 /nfs/dbraw/zinc/31/11/33/727311133.db2.gz NQQOBWRDKKCBCB-CYBMUJFWSA-N 1 3 353.304 3.427 20 10 FGCDHO [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000296310215 497993977 /nfs/dbraw/zinc/99/39/77/497993977.db2.gz FCXLJHPRHLAPLB-UXHICEINSA-N 1 3 352.478 3.126 20 10 FGCDHO [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000296310215 497993984 /nfs/dbraw/zinc/99/39/84/497993984.db2.gz FCXLJHPRHLAPLB-UXHICEINSA-N 1 3 352.478 3.126 20 10 FGCDHO CC[NH+]1CCN(CCC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000263731614 497811634 /nfs/dbraw/zinc/81/16/34/497811634.db2.gz YJZFUOCXOGGQMI-UHFFFAOYSA-N 1 3 353.510 3.176 20 10 FGCDHO Cc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-] ZINC000378443613 499517424 /nfs/dbraw/zinc/51/74/24/499517424.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 1 3 359.558 3.329 20 10 FGCDHO Cc1cccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1[O-] ZINC000378443613 499517425 /nfs/dbraw/zinc/51/74/25/499517425.db2.gz NHVPHHOTZQKPBC-UHFFFAOYSA-N 1 3 359.558 3.329 20 10 FGCDHO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762652752 723267840 /nfs/dbraw/zinc/26/78/40/723267840.db2.gz XZTSYJYANBMDRX-ZIAGYGMSSA-N 1 3 371.319 3.306 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092178 497618778 /nfs/dbraw/zinc/61/87/78/497618778.db2.gz CMTJKRFQOAOKOH-RYRKJORJSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092178 497618779 /nfs/dbraw/zinc/61/87/79/497618779.db2.gz CMTJKRFQOAOKOH-RYRKJORJSA-N 1 3 365.468 3.473 20 10 FGCDHO Cc1cc([O-])c(C[NH2+]CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC000363659958 498929141 /nfs/dbraw/zinc/92/91/41/498929141.db2.gz CPJMDNXVMWBYRO-UHFFFAOYSA-N 1 3 359.558 3.295 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124902 730588316 /nfs/dbraw/zinc/58/83/16/730588316.db2.gz KNEXAODYJKMHIN-UONOGXRCSA-N 1 3 353.304 3.285 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124902 730588322 /nfs/dbraw/zinc/58/83/22/730588322.db2.gz KNEXAODYJKMHIN-UONOGXRCSA-N 1 3 353.304 3.285 20 10 FGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1[O-] ZINC000808711370 725214508 /nfs/dbraw/zinc/21/45/08/725214508.db2.gz DVPLDQUJFFWNSM-YOEHRIQHSA-N 1 3 369.937 3.097 20 10 FGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[O-] ZINC000808696508 725213809 /nfs/dbraw/zinc/21/38/09/725213809.db2.gz VMFMYFNGZFFOCL-ZBFHGGJFSA-N 1 3 351.922 3.173 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431479 727311275 /nfs/dbraw/zinc/31/12/75/727311275.db2.gz NQQOBWRDKKCBCB-ZDUSSCGKSA-N 1 3 353.304 3.427 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431479 727311280 /nfs/dbraw/zinc/31/12/80/727311280.db2.gz NQQOBWRDKKCBCB-ZDUSSCGKSA-N 1 3 353.304 3.427 20 10 FGCDHO CCN1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154313643 495577591 /nfs/dbraw/zinc/57/75/91/495577591.db2.gz IAVRHKDVXDZNTA-FQEVSTJZSA-N 1 3 358.574 3.355 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729733 496691819 /nfs/dbraw/zinc/69/18/19/496691819.db2.gz CMTJKRFQOAOKOH-SOLBZPMBSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729733 496691823 /nfs/dbraw/zinc/69/18/23/496691823.db2.gz CMTJKRFQOAOKOH-SOLBZPMBSA-N 1 3 365.468 3.473 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000775023952 723953432 /nfs/dbraw/zinc/95/34/32/723953432.db2.gz OMKCCYGEWQEAKN-UHFFFAOYSA-N 1 3 369.303 3.127 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124897 730588474 /nfs/dbraw/zinc/58/84/74/730588474.db2.gz KNEXAODYJKMHIN-KBPBESRZSA-N 1 3 353.304 3.285 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124897 730588475 /nfs/dbraw/zinc/58/84/75/730588475.db2.gz KNEXAODYJKMHIN-KBPBESRZSA-N 1 3 353.304 3.285 20 10 FGCDHO CCN1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cn3)cc2F)CC1 ZINC000885972945 739205044 /nfs/dbraw/zinc/20/50/44/739205044.db2.gz MHJUEPNMMPTYGX-UHFFFAOYSA-N 1 3 362.880 3.306 20 10 FGCDHO Cc1cc(Br)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[O-] ZINC000775199353 723970531 /nfs/dbraw/zinc/97/05/31/723970531.db2.gz BLVLEUPHGFKARP-UHFFFAOYSA-N 1 3 353.304 3.427 20 10 FGCDHO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775491195 723995413 /nfs/dbraw/zinc/99/54/13/723995413.db2.gz BLNDYHACHYFQNQ-ZWKOTPCHSA-N 1 3 353.938 3.358 20 10 FGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[O-] ZINC000808696499 725213760 /nfs/dbraw/zinc/21/37/60/725213760.db2.gz VMFMYFNGZFFOCL-GDBMZVCRSA-N 1 3 351.922 3.173 20 10 FGCDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901845 727287595 /nfs/dbraw/zinc/28/75/95/727287595.db2.gz ZBBRYIUNAXOKAA-MPGHIAIKSA-N 1 3 353.457 3.364 20 10 FGCDHO COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cc1OC ZINC000360777244 498307542 /nfs/dbraw/zinc/30/75/42/498307542.db2.gz KOWSHGMJKGKEEB-MRXNPFEDSA-N 1 3 360.498 3.106 20 10 FGCDHO COc1cc([O-])c(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1OC ZINC000360777244 498307547 /nfs/dbraw/zinc/30/75/47/498307547.db2.gz KOWSHGMJKGKEEB-MRXNPFEDSA-N 1 3 360.498 3.106 20 10 FGCDHO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982674 727290361 /nfs/dbraw/zinc/29/03/61/727290361.db2.gz VIMBEUAEENNHTG-AUUYWEPGSA-N 1 3 351.922 3.345 20 10 FGCDHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623647 499236786 /nfs/dbraw/zinc/23/67/86/499236786.db2.gz AMEFTALLXZXJRY-TZIWHRDSSA-N 1 3 370.585 3.496 20 10 FGCDHO COc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1[O-] ZINC000826814578 729416193 /nfs/dbraw/zinc/41/61/93/729416193.db2.gz FECVUFDBSWLSEZ-UHFFFAOYSA-N 1 3 368.905 3.035 20 10 FGCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(O)c1 ZINC000185084929 496653107 /nfs/dbraw/zinc/65/31/07/496653107.db2.gz IYEGVHJTNXNTNN-GOSISDBHSA-N 1 3 353.510 3.299 20 10 FGCDHO Cc1cc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)ccc1N(C)C ZINC000293866032 498516740 /nfs/dbraw/zinc/51/67/40/498516740.db2.gz SFCQDUSQNHMMMS-UHFFFAOYSA-N 1 3 358.574 3.051 20 10 FGCDHO COCC[N@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733406 705009908 /nfs/dbraw/zinc/00/99/08/705009908.db2.gz PHOPYCZWIQFQKO-QGZVFWFLSA-N 1 3 351.510 3.435 20 10 FGCDHO COCC[N@@H+](C)CCCN[C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733406 705009914 /nfs/dbraw/zinc/00/99/14/705009914.db2.gz PHOPYCZWIQFQKO-QGZVFWFLSA-N 1 3 351.510 3.435 20 10 FGCDHO CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779050823 724384767 /nfs/dbraw/zinc/38/47/67/724384767.db2.gz QYKFAAOCKPMPLH-CQSZACIVSA-N 1 3 373.335 3.472 20 10 FGCDHO C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254442 496387887 /nfs/dbraw/zinc/38/78/87/496387887.db2.gz ZMILZDWEJDOYQN-MRXNPFEDSA-N 1 3 361.505 3.187 20 10 FGCDHO CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498027 723996551 /nfs/dbraw/zinc/99/65/51/723996551.db2.gz FXYHAVFDWZDCPL-SFHVURJKSA-N 1 3 353.938 3.360 20 10 FGCDHO CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498027 723996552 /nfs/dbraw/zinc/99/65/52/723996552.db2.gz FXYHAVFDWZDCPL-SFHVURJKSA-N 1 3 353.938 3.360 20 10 FGCDHO COc1cc(Br)cc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1[O-] ZINC000848524631 731175195 /nfs/dbraw/zinc/17/51/95/731175195.db2.gz JPPKHLXOUWUBOJ-NSHDSACASA-N 1 3 357.292 3.156 20 10 FGCDHO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377246549 499673732 /nfs/dbraw/zinc/67/37/32/499673732.db2.gz UYBQYJJPJDBMSP-NFBKMPQASA-N 1 3 370.585 3.135 20 10 FGCDHO CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1[O-] ZINC000779050820 724384814 /nfs/dbraw/zinc/38/48/14/724384814.db2.gz QYKFAAOCKPMPLH-AWEZNQCLSA-N 1 3 373.335 3.472 20 10 FGCDHO NC1(C[NH2+]Cc2c([O-])cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000841104123 730211649 /nfs/dbraw/zinc/21/16/49/730211649.db2.gz NXUALVQAIKQEIT-UHFFFAOYSA-N 1 3 359.901 3.129 20 10 FGCDHO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982676 727290448 /nfs/dbraw/zinc/29/04/48/727290448.db2.gz VIMBEUAEENNHTG-KUHUBIRLSA-N 1 3 351.922 3.345 20 10 FGCDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)O1 ZINC000858141821 732185342 /nfs/dbraw/zinc/18/53/42/732185342.db2.gz RHODWODXMQFTCI-HUUCEWRRSA-N 1 3 355.473 3.010 20 10 FGCDHO CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)CC1 ZINC000775731006 724033320 /nfs/dbraw/zinc/03/33/20/724033320.db2.gz GAULXBSEJGJEJL-UHFFFAOYSA-N 1 3 351.922 3.036 20 10 FGCDHO C[N@H+](CCOc1cccc(C[NH2+]Cc2ccccc2[O-])c1)C1CCOCC1 ZINC000076399878 493885468 /nfs/dbraw/zinc/88/54/68/493885468.db2.gz ZZARIHVCNOXWNA-UHFFFAOYSA-N 1 3 370.493 3.172 20 10 FGCDHO C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccccc2[O-])c1)C1CCOCC1 ZINC000076399878 493885473 /nfs/dbraw/zinc/88/54/73/493885473.db2.gz ZZARIHVCNOXWNA-UHFFFAOYSA-N 1 3 370.493 3.172 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[O-] ZINC000817416199 727249375 /nfs/dbraw/zinc/24/93/75/727249375.db2.gz QAWYXNQFKGNLND-UHFFFAOYSA-N 1 3 357.292 3.126 20 10 FGCDHO CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccccc2[O-])cc1OC ZINC000263658524 497806284 /nfs/dbraw/zinc/80/62/84/497806284.db2.gz GMEIPZVMIDVOPH-UHFFFAOYSA-N 1 3 358.482 3.411 20 10 FGCDHO CSC1(C[NH2+]Cc2cc(Br)cc(C)c2[O-])CC[NH+](C)CC1 ZINC000811512934 725371457 /nfs/dbraw/zinc/37/14/57/725371457.db2.gz AVWUNIQPNRVPBD-UHFFFAOYSA-N 1 3 373.360 3.380 20 10 FGCDHO NC[C@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903300 727287759 /nfs/dbraw/zinc/28/77/59/727287759.db2.gz MJAVZWMYVUKSQS-RDTXWAMCSA-N 1 3 353.457 3.364 20 10 FGCDHO COCC1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2[O-])CC[NH2+]CC1 ZINC000817974462 727289979 /nfs/dbraw/zinc/28/99/79/727289979.db2.gz MJYXYMFOHDPODC-ZDUSSCGKSA-N 1 3 371.319 3.130 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1[O-] ZINC000841079299 730208320 /nfs/dbraw/zinc/20/83/20/730208320.db2.gz LGVIWPVZTBOODC-HAQNSBGRSA-N 1 3 357.292 3.018 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456620 496686152 /nfs/dbraw/zinc/68/61/52/496686152.db2.gz CEOAONIMEKZFGL-SJLPKXTDSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456620 496686157 /nfs/dbraw/zinc/68/61/57/496686157.db2.gz CEOAONIMEKZFGL-SJLPKXTDSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166456620 496686163 /nfs/dbraw/zinc/68/61/63/496686163.db2.gz CEOAONIMEKZFGL-SJLPKXTDSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106963 499289253 /nfs/dbraw/zinc/28/92/53/499289253.db2.gz CEOAONIMEKZFGL-WMZOPIPTSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106963 499289255 /nfs/dbraw/zinc/28/92/55/499289255.db2.gz CEOAONIMEKZFGL-WMZOPIPTSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000371106963 499289257 /nfs/dbraw/zinc/28/92/57/499289257.db2.gz CEOAONIMEKZFGL-WMZOPIPTSA-N 1 3 365.468 3.473 20 10 FGCDHO NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901843 727287496 /nfs/dbraw/zinc/28/74/96/727287496.db2.gz ZBBRYIUNAXOKAA-DAYGRLMNSA-N 1 3 353.457 3.364 20 10 FGCDHO COc1cc(Br)cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431470 727311174 /nfs/dbraw/zinc/31/11/74/727311174.db2.gz NNGUXDSGITXFQF-LBPRGKRZSA-N 1 3 369.303 3.127 20 10 FGCDHO COc1cc(Br)cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431470 727311177 /nfs/dbraw/zinc/31/11/77/727311177.db2.gz NNGUXDSGITXFQF-LBPRGKRZSA-N 1 3 369.303 3.127 20 10 FGCDHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1O ZINC000155240029 495887746 /nfs/dbraw/zinc/88/77/46/495887746.db2.gz PVVAKBWOKGYGIQ-NRFANRHFSA-N 1 3 353.510 3.381 20 10 FGCDHO C[NH+]1CCC(Oc2ccc(CNCc3ccc4c(c3)CCO4)cc2)CC1 ZINC000284066054 499041164 /nfs/dbraw/zinc/04/11/64/499041164.db2.gz QFXSSAGLPKOCSC-UHFFFAOYSA-N 1 3 352.478 3.384 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817898717 727287076 /nfs/dbraw/zinc/28/70/76/727287076.db2.gz JFQVUIUGPVFJOR-QGPPMGRFSA-N 1 3 351.441 3.129 20 10 FGCDHO COc1cc(Br)cc(CN2CCC([C@H]3CCC[NH2+]3)CC2)c1O ZINC000843046077 730573956 /nfs/dbraw/zinc/57/39/56/730573956.db2.gz MTQCXPIELKOTPR-OAHLLOKOSA-N 1 3 369.303 3.127 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456733 496686488 /nfs/dbraw/zinc/68/64/88/496686488.db2.gz CEOAONIMEKZFGL-FUHWJXTLSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166456733 496686494 /nfs/dbraw/zinc/68/64/94/496686494.db2.gz CEOAONIMEKZFGL-FUHWJXTLSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cc1 ZINC000166456733 496686498 /nfs/dbraw/zinc/68/64/98/496686498.db2.gz CEOAONIMEKZFGL-FUHWJXTLSA-N 1 3 365.468 3.473 20 10 FGCDHO CCCOc1ccc(CNCc2ccncc2OCCC[NH+](C)C)c(O)c1 ZINC000288574596 497835027 /nfs/dbraw/zinc/83/50/27/497835027.db2.gz NGWBJBDUIJAWDL-UHFFFAOYSA-N 1 3 373.497 3.196 20 10 FGCDHO COc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cc1OC ZINC000360777236 498307608 /nfs/dbraw/zinc/30/76/08/498307608.db2.gz KOWSHGMJKGKEEB-INIZCTEOSA-N 1 3 360.498 3.106 20 10 FGCDHO COc1cc([O-])c(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1OC ZINC000360777236 498307612 /nfs/dbraw/zinc/30/76/12/498307612.db2.gz KOWSHGMJKGKEEB-INIZCTEOSA-N 1 3 360.498 3.106 20 10 FGCDHO CN(Cc1cccs1)c1ccc(CNCCC[NH+]2CCC(O)CC2)cc1 ZINC000295213475 498945805 /nfs/dbraw/zinc/94/58/05/498945805.db2.gz ARRXHTCVRUIMTK-UHFFFAOYSA-N 1 3 373.566 3.321 20 10 FGCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933159 727288456 /nfs/dbraw/zinc/28/84/56/727288456.db2.gz YRNFZNRVOBWWJW-LORHWOILSA-N 1 3 365.949 3.418 20 10 FGCDHO CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775491194 723995210 /nfs/dbraw/zinc/99/52/10/723995210.db2.gz BLNDYHACHYFQNQ-ROUUACIJSA-N 1 3 353.938 3.358 20 10 FGCDHO Cc1cc(Br)cc(CN2CCC(OCC[NH+](C)C)CC2)c1O ZINC000775688244 724025626 /nfs/dbraw/zinc/02/56/26/724025626.db2.gz OTKLSPMVAVHWJX-UHFFFAOYSA-N 1 3 371.319 3.006 20 10 FGCDHO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775491188 723995279 /nfs/dbraw/zinc/99/52/79/723995279.db2.gz BLNDYHACHYFQNQ-MSOLQXFVSA-N 1 3 353.938 3.358 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000817898716 727287224 /nfs/dbraw/zinc/28/72/24/727287224.db2.gz JFQVUIUGPVFJOR-IUOOZAAYSA-N 1 3 351.441 3.129 20 10 FGCDHO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2ccncc2)CC1 ZINC000377711226 499723776 /nfs/dbraw/zinc/72/37/76/499723776.db2.gz ZBLPGNQAZBUKMI-UHFFFAOYSA-N 1 3 366.509 3.019 20 10 FGCDHO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCN(c2ccncc2)CC1 ZINC000377711226 499723777 /nfs/dbraw/zinc/72/37/77/499723777.db2.gz ZBLPGNQAZBUKMI-UHFFFAOYSA-N 1 3 366.509 3.019 20 10 FGCDHO CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498025 723995993 /nfs/dbraw/zinc/99/59/93/723995993.db2.gz FXYHAVFDWZDCPL-GOSISDBHSA-N 1 3 353.938 3.360 20 10 FGCDHO CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498025 723995994 /nfs/dbraw/zinc/99/59/94/723995994.db2.gz FXYHAVFDWZDCPL-GOSISDBHSA-N 1 3 353.938 3.360 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1[O-] ZINC000841028569 730204711 /nfs/dbraw/zinc/20/47/11/730204711.db2.gz DJRWYSKEDJDKLG-NSHDSACASA-N 1 3 365.271 3.473 20 10 FGCDHO CN1CCN(CC2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)CC1 ZINC000289411871 498137161 /nfs/dbraw/zinc/13/71/61/498137161.db2.gz HXVIRKOODYFKEG-UHFFFAOYSA-N 1 3 370.585 3.136 20 10 FGCDHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623645 499236697 /nfs/dbraw/zinc/23/66/97/499236697.db2.gz AMEFTALLXZXJRY-FPOVZHCZSA-N 1 3 370.585 3.496 20 10 FGCDHO C[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000150992666 495704823 /nfs/dbraw/zinc/70/48/23/495704823.db2.gz CUCZWDMJZIANBF-IBGZPJMESA-N 1 3 358.574 3.354 20 10 FGCDHO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000367933013 499247388 /nfs/dbraw/zinc/24/73/88/499247388.db2.gz VSDCDSWZTIUKGV-FUHWJXTLSA-N 1 3 370.493 3.410 20 10 FGCDHO C[C@@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(F)ccc1[O-] ZINC000368221041 499275523 /nfs/dbraw/zinc/27/55/23/499275523.db2.gz GVICIHFXYNDPSQ-MRXNPFEDSA-N 1 3 363.521 3.378 20 10 FGCDHO C[N@@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760655 499730151 /nfs/dbraw/zinc/73/01/51/499730151.db2.gz JXYORVYAJSTJOG-JTHBVZDNSA-N 1 3 365.521 3.306 20 10 FGCDHO C[N@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760655 499730152 /nfs/dbraw/zinc/73/01/52/499730152.db2.gz JXYORVYAJSTJOG-JTHBVZDNSA-N 1 3 365.521 3.306 20 10 FGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[O-] ZINC000808696506 725213780 /nfs/dbraw/zinc/21/37/80/725213780.db2.gz VMFMYFNGZFFOCL-HOCLYGCPSA-N 1 3 351.922 3.173 20 10 FGCDHO COc1cc(Br)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431468 727311314 /nfs/dbraw/zinc/31/13/14/727311314.db2.gz NNGUXDSGITXFQF-GFCCVEGCSA-N 1 3 369.303 3.127 20 10 FGCDHO COc1cc(Br)cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818431468 727311318 /nfs/dbraw/zinc/31/13/18/727311318.db2.gz NNGUXDSGITXFQF-GFCCVEGCSA-N 1 3 369.303 3.127 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124900 730588516 /nfs/dbraw/zinc/58/85/16/730588516.db2.gz KNEXAODYJKMHIN-KGLIPLIRSA-N 1 3 353.304 3.285 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124900 730588519 /nfs/dbraw/zinc/58/85/19/730588519.db2.gz KNEXAODYJKMHIN-KGLIPLIRSA-N 1 3 353.304 3.285 20 10 FGCDHO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982675 727290533 /nfs/dbraw/zinc/29/05/33/727290533.db2.gz VIMBEUAEENNHTG-IFXJQAMLSA-N 1 3 351.922 3.345 20 10 FGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843125922 730588729 /nfs/dbraw/zinc/58/87/29/730588729.db2.gz COFQSFYYXSUJKS-AWEZNQCLSA-N 1 3 353.304 3.285 20 10 FGCDHO C[C@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182264997 496723346 /nfs/dbraw/zinc/72/33/46/496723346.db2.gz DOQYTOJFLXVDSR-JTSKRJEESA-N 1 3 353.510 3.170 20 10 FGCDHO C[C@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182264997 496723349 /nfs/dbraw/zinc/72/33/49/496723349.db2.gz DOQYTOJFLXVDSR-JTSKRJEESA-N 1 3 353.510 3.170 20 10 FGCDHO CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000368592434 499311484 /nfs/dbraw/zinc/31/14/84/499311484.db2.gz QEHRUPLTTJETHC-UHFFFAOYSA-N 1 3 363.521 3.159 20 10 FGCDHO CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(F)ccc3[O-])CC2)CC1 ZINC000368592434 499311486 /nfs/dbraw/zinc/31/14/86/499311486.db2.gz QEHRUPLTTJETHC-UHFFFAOYSA-N 1 3 363.521 3.159 20 10 FGCDHO Cc1ncc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000092855910 700442381 /nfs/dbraw/zinc/44/23/81/700442381.db2.gz KVYDWGZSQMRSMS-UHFFFAOYSA-N 1 3 356.539 3.273 20 10 FGCDHO COc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000848537928 731177856 /nfs/dbraw/zinc/17/78/56/731177856.db2.gz PJHHDMAYOOQCJP-NSHDSACASA-N 1 3 355.276 3.076 20 10 FGCDHO COc1cc(Br)cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000848537928 731177859 /nfs/dbraw/zinc/17/78/59/731177859.db2.gz PJHHDMAYOOQCJP-NSHDSACASA-N 1 3 355.276 3.076 20 10 FGCDHO COc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[O-] ZINC000848558696 731181224 /nfs/dbraw/zinc/18/12/24/731181224.db2.gz RJIRMTCTLAHSDS-GMXVVIOVSA-N 1 3 357.292 3.154 20 10 FGCDHO COc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000367933014 499247142 /nfs/dbraw/zinc/24/71/42/499247142.db2.gz VSDCDSWZTIUKGV-SJLPKXTDSA-N 1 3 370.493 3.410 20 10 FGCDHO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1cc(Cl)ccc1O ZINC000775491193 723995257 /nfs/dbraw/zinc/99/52/57/723995257.db2.gz BLNDYHACHYFQNQ-QZTJIDSGSA-N 1 3 353.938 3.358 20 10 FGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000843046214 730574026 /nfs/dbraw/zinc/57/40/26/730574026.db2.gz PXBRWPVIKFPOAJ-INIZCTEOSA-N 1 3 353.304 3.427 20 10 FGCDHO CN(C)c1ccc(C[NH2+]C[C@H]2CNCCC2(F)F)c(C(F)(F)F)c1 ZINC000903956088 743905289 /nfs/dbraw/zinc/90/52/89/743905289.db2.gz GROIUCUPDISNBZ-GFCCVEGCSA-N 1 3 351.363 3.106 20 10 FGCDHO C[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233578 495064963 /nfs/dbraw/zinc/06/49/63/495064963.db2.gz XLBXDWTUPODYJM-HXUWFJFHSA-N 1 3 358.574 3.355 20 10 FGCDHO NC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903298 727287502 /nfs/dbraw/zinc/28/75/02/727287502.db2.gz MJAVZWMYVUKSQS-KDOFPFPSSA-N 1 3 353.457 3.364 20 10 FGCDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124903 730588468 /nfs/dbraw/zinc/58/84/68/730588468.db2.gz KNEXAODYJKMHIN-ZIAGYGMSSA-N 1 3 353.304 3.285 20 10 FGCDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843124903 730588469 /nfs/dbraw/zinc/58/84/69/730588469.db2.gz KNEXAODYJKMHIN-ZIAGYGMSSA-N 1 3 353.304 3.285 20 10 FGCDHO COc1cc(Br)cc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c1[O-] ZINC000848524630 731175319 /nfs/dbraw/zinc/17/53/19/731175319.db2.gz JPPKHLXOUWUBOJ-LLVKDONJSA-N 1 3 357.292 3.156 20 10 FGCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c(O)c1 ZINC000185084945 496652786 /nfs/dbraw/zinc/65/27/86/496652786.db2.gz IYEGVHJTNXNTNN-SFHVURJKSA-N 1 3 353.510 3.299 20 10 FGCDHO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982677 727290248 /nfs/dbraw/zinc/29/02/48/727290248.db2.gz VIMBEUAEENNHTG-LIRRHRJNSA-N 1 3 351.922 3.345 20 10 FGCDHO C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)cc(OC)c1[O-] ZINC000844904083 730787322 /nfs/dbraw/zinc/78/73/22/730787322.db2.gz ANVCGVCBPUBIIU-UHFFFAOYSA-N 1 3 365.271 3.173 20 10 FGCDHO c1ccc(C[N@H+]2CC[C@@H](CNCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932109 497251341 /nfs/dbraw/zinc/25/13/41/497251341.db2.gz JXKKMXXNVQEHRL-QFIPXVFZSA-N 1 3 365.521 3.135 20 10 FGCDHO c1ccc(C[N@@H+]2CC[C@@H](CNCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932109 497251345 /nfs/dbraw/zinc/25/13/45/497251345.db2.gz JXKKMXXNVQEHRL-QFIPXVFZSA-N 1 3 365.521 3.135 20 10 FGCDHO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762652749 723267769 /nfs/dbraw/zinc/26/77/69/723267769.db2.gz XZTSYJYANBMDRX-KBPBESRZSA-N 1 3 371.319 3.306 20 10 FGCDHO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1[O-] ZINC000848558697 731181480 /nfs/dbraw/zinc/18/14/80/731181480.db2.gz RJIRMTCTLAHSDS-WZRBSPASSA-N 1 3 357.292 3.154 20 10 FGCDHO [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000296310211 497993935 /nfs/dbraw/zinc/99/39/35/497993935.db2.gz FCXLJHPRHLAPLB-PMACEKPBSA-N 1 3 352.478 3.126 20 10 FGCDHO [O-]c1cccc2c1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000296310211 497993943 /nfs/dbraw/zinc/99/39/43/497993943.db2.gz FCXLJHPRHLAPLB-PMACEKPBSA-N 1 3 352.478 3.126 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106962 499289098 /nfs/dbraw/zinc/28/90/98/499289098.db2.gz CEOAONIMEKZFGL-AEFFLSMTSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000371106962 499289100 /nfs/dbraw/zinc/28/91/00/499289100.db2.gz CEOAONIMEKZFGL-AEFFLSMTSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000371106962 499289101 /nfs/dbraw/zinc/28/91/01/499289101.db2.gz CEOAONIMEKZFGL-AEFFLSMTSA-N 1 3 365.468 3.473 20 10 FGCDHO C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cc(Br)ccc1O ZINC000762652751 723267900 /nfs/dbraw/zinc/26/79/00/723267900.db2.gz XZTSYJYANBMDRX-UONOGXRCSA-N 1 3 371.319 3.306 20 10 FGCDHO CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000268397483 497741369 /nfs/dbraw/zinc/74/13/69/497741369.db2.gz AUUSCBPCIYWJGO-UHFFFAOYSA-N 1 3 354.494 3.384 20 10 FGCDHO C[N@@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760652 499730137 /nfs/dbraw/zinc/73/01/37/499730137.db2.gz JXYORVYAJSTJOG-GGAORHGYSA-N 1 3 365.521 3.306 20 10 FGCDHO C[N@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760652 499730139 /nfs/dbraw/zinc/73/01/39/499730139.db2.gz JXYORVYAJSTJOG-GGAORHGYSA-N 1 3 365.521 3.306 20 10 FGCDHO C[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178254425 496387755 /nfs/dbraw/zinc/38/77/55/496387755.db2.gz ZMILZDWEJDOYQN-INIZCTEOSA-N 1 3 361.505 3.187 20 10 FGCDHO NC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903297 727287581 /nfs/dbraw/zinc/28/75/81/727287581.db2.gz MJAVZWMYVUKSQS-KBXCAEBGSA-N 1 3 353.457 3.364 20 10 FGCDHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933157 727288430 /nfs/dbraw/zinc/28/84/30/727288430.db2.gz YRNFZNRVOBWWJW-FXRXJOCMSA-N 1 3 365.949 3.418 20 10 FGCDHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623644 499236724 /nfs/dbraw/zinc/23/67/24/499236724.db2.gz AMEFTALLXZXJRY-CTNGQTDRSA-N 1 3 370.585 3.496 20 10 FGCDHO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377246551 499673685 /nfs/dbraw/zinc/67/36/85/499673685.db2.gz UYBQYJJPJDBMSP-OFNKIYASSA-N 1 3 370.585 3.135 20 10 FGCDHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933158 727288377 /nfs/dbraw/zinc/28/83/77/727288377.db2.gz YRNFZNRVOBWWJW-IIHSZXCVSA-N 1 3 365.949 3.418 20 10 FGCDHO Cc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1[O-] ZINC000826814528 729416164 /nfs/dbraw/zinc/41/61/64/729416164.db2.gz DMPPOCNVTJTKLB-UHFFFAOYSA-N 1 3 352.906 3.335 20 10 FGCDHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1[O-] ZINC000826940892 729419646 /nfs/dbraw/zinc/41/96/46/729419646.db2.gz HCCBJMMWSCSEBO-LJQANCHMSA-N 1 3 360.885 3.210 20 10 FGCDHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1[O-] ZINC000826940892 729419648 /nfs/dbraw/zinc/41/96/48/729419648.db2.gz HCCBJMMWSCSEBO-LJQANCHMSA-N 1 3 360.885 3.210 20 10 FGCDHO C[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000150992704 495705905 /nfs/dbraw/zinc/70/59/05/495705905.db2.gz CUCZWDMJZIANBF-LJQANCHMSA-N 1 3 358.574 3.354 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092173 497618787 /nfs/dbraw/zinc/61/87/87/497618787.db2.gz CMTJKRFQOAOKOH-BQFCYCMXSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246092173 497618789 /nfs/dbraw/zinc/61/87/89/497618789.db2.gz CMTJKRFQOAOKOH-BQFCYCMXSA-N 1 3 365.468 3.473 20 10 FGCDHO COc1cc(Br)cc(CNCc2ccc(C[NH3+])cc2F)c1O ZINC000844904363 730787272 /nfs/dbraw/zinc/78/72/72/730787272.db2.gz JGSRWNYIXLNWSK-UHFFFAOYSA-N 1 3 369.234 3.051 20 10 FGCDHO C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052720 499260067 /nfs/dbraw/zinc/26/00/67/499260067.db2.gz YBQZQQUNBATFBB-IBGZPJMESA-N 1 3 353.510 3.146 20 10 FGCDHO C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052720 499260069 /nfs/dbraw/zinc/26/00/69/499260069.db2.gz YBQZQQUNBATFBB-IBGZPJMESA-N 1 3 353.510 3.146 20 10 FGCDHO C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc(Br)ccc1O ZINC000762652750 723267795 /nfs/dbraw/zinc/26/77/95/723267795.db2.gz XZTSYJYANBMDRX-KGLIPLIRSA-N 1 3 371.319 3.306 20 10 FGCDHO NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903299 727287587 /nfs/dbraw/zinc/28/75/87/727287587.db2.gz MJAVZWMYVUKSQS-KSSFIOAISA-N 1 3 353.457 3.364 20 10 FGCDHO NC1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CCC1 ZINC000841048888 730206349 /nfs/dbraw/zinc/20/63/49/730206349.db2.gz MJNNHMKQKUEEIA-UHFFFAOYSA-N 1 3 352.320 3.410 20 10 FGCDHO CCN(CC)c1ccc(CN2CCC(OCC[NH+](C)C)CC2)cc1F ZINC000769383944 723683813 /nfs/dbraw/zinc/68/38/13/723683813.db2.gz OVJZTBBGZGAPKB-UHFFFAOYSA-N 1 3 351.510 3.215 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1[O-] ZINC000841028567 730204800 /nfs/dbraw/zinc/20/48/00/730204800.db2.gz DJRWYSKEDJDKLG-LLVKDONJSA-N 1 3 365.271 3.473 20 10 FGCDHO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000186519896 496029485 /nfs/dbraw/zinc/02/94/85/496029485.db2.gz ZWSFAFMCXBRMCO-HNAYVOBHSA-N 1 3 358.457 3.339 20 10 FGCDHO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000186519896 496029489 /nfs/dbraw/zinc/02/94/89/496029489.db2.gz ZWSFAFMCXBRMCO-HNAYVOBHSA-N 1 3 358.457 3.339 20 10 FGCDHO COc1cc(Br)cc(CN2CCC(CC[NH+](C)C)CC2)c1O ZINC000092380973 700435394 /nfs/dbraw/zinc/43/53/94/700435394.db2.gz KWVBRNYEKAJILL-UHFFFAOYSA-N 1 3 371.319 3.327 20 10 FGCDHO C[C@H]1CN(CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000858141820 732185419 /nfs/dbraw/zinc/18/54/19/732185419.db2.gz RHODWODXMQFTCI-GJZGRUSLSA-N 1 3 355.473 3.010 20 10 FGCDHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000370623646 499236853 /nfs/dbraw/zinc/23/68/53/499236853.db2.gz AMEFTALLXZXJRY-PZJWPPBQSA-N 1 3 370.585 3.496 20 10 FGCDHO COc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000367933012 499247156 /nfs/dbraw/zinc/24/71/56/499247156.db2.gz VSDCDSWZTIUKGV-AEFFLSMTSA-N 1 3 370.493 3.410 20 10 FGCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[O-] ZINC000808696504 725213775 /nfs/dbraw/zinc/21/37/75/725213775.db2.gz VMFMYFNGZFFOCL-GOEBONIOSA-N 1 3 351.922 3.173 20 10 FGCDHO NC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901844 727287471 /nfs/dbraw/zinc/28/74/71/727287471.db2.gz ZBBRYIUNAXOKAA-HDMKZQKVSA-N 1 3 353.457 3.364 20 10 FGCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000817933160 727288354 /nfs/dbraw/zinc/28/83/54/727288354.db2.gz YRNFZNRVOBWWJW-WXSAJPJJSA-N 1 3 365.949 3.418 20 10 FGCDHO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000185084743 496652866 /nfs/dbraw/zinc/65/28/66/496652866.db2.gz MTSIKNZSQBSSSE-GOSISDBHSA-N 1 3 353.510 3.299 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729825 496692827 /nfs/dbraw/zinc/69/28/27/496692827.db2.gz CMTJKRFQOAOKOH-JFIYKMOQSA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166729825 496692829 /nfs/dbraw/zinc/69/28/29/496692829.db2.gz CMTJKRFQOAOKOH-JFIYKMOQSA-N 1 3 365.468 3.473 20 10 FGCDHO C[C@@H](NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182265020 496723594 /nfs/dbraw/zinc/72/35/94/496723594.db2.gz DOQYTOJFLXVDSR-VGSWGCGISA-N 1 3 353.510 3.170 20 10 FGCDHO C[C@@H](NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000182265020 496723596 /nfs/dbraw/zinc/72/35/96/496723596.db2.gz DOQYTOJFLXVDSR-VGSWGCGISA-N 1 3 353.510 3.170 20 10 FGCDHO C[N@@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760650 499730253 /nfs/dbraw/zinc/73/02/53/499730253.db2.gz JXYORVYAJSTJOG-FYYLOGMGSA-N 1 3 365.521 3.306 20 10 FGCDHO C[N@H+]1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000377760650 499730255 /nfs/dbraw/zinc/73/02/55/499730255.db2.gz JXYORVYAJSTJOG-FYYLOGMGSA-N 1 3 365.521 3.306 20 10 FGCDHO [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000296310224 497993521 /nfs/dbraw/zinc/99/35/21/497993521.db2.gz FCXLJHPRHLAPLB-WOJBJXKFSA-N 1 3 352.478 3.126 20 10 FGCDHO [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000296310224 497993528 /nfs/dbraw/zinc/99/35/28/497993528.db2.gz FCXLJHPRHLAPLB-WOJBJXKFSA-N 1 3 352.478 3.126 20 10 FGCDHO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC000367933015 499247326 /nfs/dbraw/zinc/24/73/26/499247326.db2.gz VSDCDSWZTIUKGV-WMZOPIPTSA-N 1 3 370.493 3.410 20 10 FGCDHO NC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901846 727287557 /nfs/dbraw/zinc/28/75/57/727287557.db2.gz ZBBRYIUNAXOKAA-RLFYNMQTSA-N 1 3 353.457 3.364 20 10 FGCDHO COc1cc(Br)cc(CN2CCC([C@@H]3CCC[NH2+]3)CC2)c1O ZINC000843046076 730573749 /nfs/dbraw/zinc/57/37/49/730573749.db2.gz MTQCXPIELKOTPR-HNNXBMFYSA-N 1 3 369.303 3.127 20 10 FGCDHO COc1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c([O-])c1OC ZINC000895861805 742463708 /nfs/dbraw/zinc/46/37/08/742463708.db2.gz SUXKYPJFUOGBHL-UHFFFAOYSA-N 1 3 350.503 3.209 20 10 FGCDHO COc1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c([O-])c1OC ZINC000895861805 742463712 /nfs/dbraw/zinc/46/37/12/742463712.db2.gz SUXKYPJFUOGBHL-UHFFFAOYSA-N 1 3 350.503 3.209 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246092184 497618029 /nfs/dbraw/zinc/61/80/29/497618029.db2.gz CMTJKRFQOAOKOH-XYJFISCASA-N 1 3 365.468 3.473 20 10 FGCDHO FC(F)Oc1ccc(N2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246092184 497618031 /nfs/dbraw/zinc/61/80/31/497618031.db2.gz CMTJKRFQOAOKOH-XYJFISCASA-N 1 3 365.468 3.473 20 10 FGCDHO COCC1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2[O-])CC[NH2+]CC1 ZINC000817974461 727290069 /nfs/dbraw/zinc/29/00/69/727290069.db2.gz MJYXYMFOHDPODC-CYBMUJFWSA-N 1 3 371.319 3.130 20 10 FGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843125923 730589024 /nfs/dbraw/zinc/58/90/24/730589024.db2.gz COFQSFYYXSUJKS-CQSZACIVSA-N 1 3 353.304 3.285 20 10 FGCDHO CCN1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000154313755 495577724 /nfs/dbraw/zinc/57/77/24/495577724.db2.gz IAVRHKDVXDZNTA-HXUWFJFHSA-N 1 3 358.574 3.355 20 10 FGCDHO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000185084758 496653423 /nfs/dbraw/zinc/65/34/23/496653423.db2.gz MTSIKNZSQBSSSE-SFHVURJKSA-N 1 3 353.510 3.299 20 10 FGCDHO c1ccc(C[N@H+]2CC[C@H](CNCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932092 497251093 /nfs/dbraw/zinc/25/10/93/497251093.db2.gz JXKKMXXNVQEHRL-JOCHJYFZSA-N 1 3 365.521 3.135 20 10 FGCDHO c1ccc(C[N@@H+]2CC[C@H](CNCc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000192932092 497251097 /nfs/dbraw/zinc/25/10/97/497251097.db2.gz JXKKMXXNVQEHRL-JOCHJYFZSA-N 1 3 365.521 3.135 20 10 FGCDHO C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000377246552 499673627 /nfs/dbraw/zinc/67/36/27/499673627.db2.gz UYBQYJJPJDBMSP-REWPJTCUSA-N 1 3 370.585 3.135 20 10 FGCDHO C[N@@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760653 499730093 /nfs/dbraw/zinc/73/00/93/499730093.db2.gz JXYORVYAJSTJOG-GMAHTHKFSA-N 1 3 365.521 3.306 20 10 FGCDHO C[N@H+]1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000377760653 499730095 /nfs/dbraw/zinc/73/00/95/499730095.db2.gz JXYORVYAJSTJOG-GMAHTHKFSA-N 1 3 365.521 3.306 20 10 FGCDHO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733286 705010200 /nfs/dbraw/zinc/01/02/00/705010200.db2.gz PHOPYCZWIQFQKO-KRWDZBQOSA-N 1 3 351.510 3.435 20 10 FGCDHO COCC[N@@H+](C)CCCN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000153733286 705010207 /nfs/dbraw/zinc/01/02/07/705010207.db2.gz PHOPYCZWIQFQKO-KRWDZBQOSA-N 1 3 351.510 3.435 20 10 FGCDHO CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000817983785 727290509 /nfs/dbraw/zinc/29/05/09/727290509.db2.gz QHZMUPKPYNUWND-LEOMRAHMSA-N 1 3 351.922 3.303 20 10 FGCDHO CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000817983785 727290511 /nfs/dbraw/zinc/29/05/11/727290511.db2.gz QHZMUPKPYNUWND-LEOMRAHMSA-N 1 3 351.922 3.303 20 10 FGCDHO Cc1cc(Br)cc(CNCc2ccc(C[NH3+])cc2F)c1O ZINC000844905409 730787637 /nfs/dbraw/zinc/78/76/37/730787637.db2.gz ZAWOSGSKVINRJH-UHFFFAOYSA-N 1 3 353.235 3.351 20 10 FGCDHO C[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000377246550 499673584 /nfs/dbraw/zinc/67/35/84/499673584.db2.gz UYBQYJJPJDBMSP-NZQKXSOJSA-N 1 3 370.585 3.135 20 10 FGCDHO N[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051371 730206197 /nfs/dbraw/zinc/20/61/97/730206197.db2.gz QQANQDWDCFDJSG-MRXNPFEDSA-N 1 3 352.320 3.266 20 10 FGCDHO CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1[O-] ZINC000817983784 727290345 /nfs/dbraw/zinc/29/03/45/727290345.db2.gz QHZMUPKPYNUWND-HTWSVDAQSA-N 1 3 351.922 3.303 20 10 FGCDHO CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)ccc1[O-] ZINC000817983784 727290346 /nfs/dbraw/zinc/29/03/46/727290346.db2.gz QHZMUPKPYNUWND-HTWSVDAQSA-N 1 3 351.922 3.303 20 10 FGCDHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1[O-] ZINC000826940888 729419588 /nfs/dbraw/zinc/41/95/88/729419588.db2.gz HCCBJMMWSCSEBO-IBGZPJMESA-N 1 3 360.885 3.210 20 10 FGCDHO Cc1cc(Cl)cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1[O-] ZINC000826940888 729419590 /nfs/dbraw/zinc/41/95/90/729419590.db2.gz HCCBJMMWSCSEBO-IBGZPJMESA-N 1 3 360.885 3.210 20 10 FGCDHO COc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000848537927 731178043 /nfs/dbraw/zinc/17/80/43/731178043.db2.gz PJHHDMAYOOQCJP-LLVKDONJSA-N 1 3 355.276 3.076 20 10 FGCDHO COc1cc(Br)cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000848537927 731178045 /nfs/dbraw/zinc/17/80/45/731178045.db2.gz PJHHDMAYOOQCJP-LLVKDONJSA-N 1 3 355.276 3.076 20 10 FGCDHO C[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000128233387 495064877 /nfs/dbraw/zinc/06/48/77/495064877.db2.gz XLBXDWTUPODYJM-FQEVSTJZSA-N 1 3 358.574 3.355 20 10 FGCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000186519911 496029409 /nfs/dbraw/zinc/02/94/09/496029409.db2.gz ZWSFAFMCXBRMCO-DNVCBOLYSA-N 1 3 358.457 3.339 20 10 FGCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1[O-] ZINC000186519911 496029416 /nfs/dbraw/zinc/02/94/16/496029416.db2.gz ZWSFAFMCXBRMCO-DNVCBOLYSA-N 1 3 358.457 3.339 20 10 FGCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1[O-] ZINC000808711369 725214488 /nfs/dbraw/zinc/21/44/88/725214488.db2.gz DVPLDQUJFFWNSM-PBHICJAKSA-N 1 3 369.937 3.097 20 10 FGCDHO Cc1cc(Br)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000843046216 730573759 /nfs/dbraw/zinc/57/37/59/730573759.db2.gz PXBRWPVIKFPOAJ-MRXNPFEDSA-N 1 3 353.304 3.427 20 10 FGCDHO N[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)C1CC1 ZINC000841051369 730206296 /nfs/dbraw/zinc/20/62/96/730206296.db2.gz QQANQDWDCFDJSG-INIZCTEOSA-N 1 3 352.320 3.266 20 10 FGCDHO C[C@@H]1CN(CCCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)O1 ZINC000858141819 732185357 /nfs/dbraw/zinc/18/53/57/732185357.db2.gz RHODWODXMQFTCI-GASCZTMLSA-N 1 3 355.473 3.010 20 10 FGCDHO C[C@H]([NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(F)ccc1[O-] ZINC000368221040 499275459 /nfs/dbraw/zinc/27/54/59/499275459.db2.gz GVICIHFXYNDPSQ-INIZCTEOSA-N 1 3 363.521 3.378 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[O-] ZINC000824914716 729364983 /nfs/dbraw/zinc/36/49/83/729364983.db2.gz XMMVHSLTGKYQCD-UHFFFAOYSA-N 1 3 359.308 3.373 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[O-] ZINC000835062510 729854390 /nfs/dbraw/zinc/85/43/90/729854390.db2.gz PGHORJHLJXBNDE-UHFFFAOYSA-N 1 3 357.292 3.127 20 10 FGCDHO COc1cc(Br)cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[O-] ZINC000835062510 729854393 /nfs/dbraw/zinc/85/43/93/729854393.db2.gz PGHORJHLJXBNDE-UHFFFAOYSA-N 1 3 357.292 3.127 20 10 FGCDHO [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)CC2 ZINC000296310219 497994151 /nfs/dbraw/zinc/99/41/51/497994151.db2.gz FCXLJHPRHLAPLB-VQTJNVASSA-N 1 3 352.478 3.126 20 10 FGCDHO [O-]c1cccc2c1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000296310219 497994155 /nfs/dbraw/zinc/99/41/55/497994155.db2.gz FCXLJHPRHLAPLB-VQTJNVASSA-N 1 3 352.478 3.126 20 10 FGCDHO C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052721 499260040 /nfs/dbraw/zinc/26/00/40/499260040.db2.gz YBQZQQUNBATFBB-LJQANCHMSA-N 1 3 353.510 3.146 20 10 FGCDHO C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368052721 499260041 /nfs/dbraw/zinc/26/00/41/499260041.db2.gz YBQZQQUNBATFBB-LJQANCHMSA-N 1 3 353.510 3.146 20 10 FGCDHO