smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc([C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000090406351 1032398596 /nfs/dbraw/zinc/39/85/96/1032398596.db2.gz BBHNEKSQBMRIIB-ZDUSSCGKSA-N 2 1 307.507 3.757 10 0 DHAEMP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020335 183328477 /nfs/dbraw/zinc/32/84/77/183328477.db2.gz LUUVWZFOCVTCHI-ABAIWWIYSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020335 183328479 /nfs/dbraw/zinc/32/84/79/183328479.db2.gz LUUVWZFOCVTCHI-ABAIWWIYSA-N 2 1 311.267 3.712 10 0 DHAEMP CCC[NH+](CCC)[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043019945 183328970 /nfs/dbraw/zinc/32/89/70/183328970.db2.gz MKSJAESILHQSSI-SWLSCSKDSA-N 2 1 313.283 3.959 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020376 183329153 /nfs/dbraw/zinc/32/91/53/183329153.db2.gz MPOBURSQCXAMBL-LSDHHAIUSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020376 183329155 /nfs/dbraw/zinc/32/91/55/183329155.db2.gz MPOBURSQCXAMBL-LSDHHAIUSA-N 2 1 313.283 3.815 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093772 183336981 /nfs/dbraw/zinc/33/69/81/183336981.db2.gz AHCQLALFAATMLS-FZMZJTMJSA-N 2 1 322.250 3.706 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000302102866 336348627 /nfs/dbraw/zinc/34/86/27/336348627.db2.gz QLTSDDLMAWCGRW-QAPCUYQASA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102866 336348628 /nfs/dbraw/zinc/34/86/28/336348628.db2.gz QLTSDDLMAWCGRW-QAPCUYQASA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102866 336348629 /nfs/dbraw/zinc/34/86/29/336348629.db2.gz QLTSDDLMAWCGRW-QAPCUYQASA-N 2 1 324.472 3.670 10 0 DHAEMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127194 337171463 /nfs/dbraw/zinc/17/14/63/337171463.db2.gz QGMLYPGCHUQHIA-INIZCTEOSA-N 2 1 309.413 3.911 10 0 DHAEMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180127194 337171464 /nfs/dbraw/zinc/17/14/64/337171464.db2.gz QGMLYPGCHUQHIA-INIZCTEOSA-N 2 1 309.413 3.911 10 0 DHAEMP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657192 341382997 /nfs/dbraw/zinc/38/29/97/341382997.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657192 341382998 /nfs/dbraw/zinc/38/29/98/341382998.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248657192 341382999 /nfs/dbraw/zinc/38/29/99/341382999.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248657192 341383000 /nfs/dbraw/zinc/38/30/00/341383000.db2.gz SEUXKGJRHNJBKK-QUCCMNQESA-N 2 1 323.484 3.905 10 0 DHAEMP c1ccc2c(C[N@H+]3CCCC4(CC[NH2+]CC4)CC3)ccnc2c1 ZINC000067588811 563488071 /nfs/dbraw/zinc/48/80/71/563488071.db2.gz DRTIMFXDMRWMNL-UHFFFAOYSA-N 2 1 309.457 3.591 10 0 DHAEMP C[NH+](C)CCC[N@H+](Cc1cccs1)C[C@@H]1CCOC(C)(C)C1 ZINC000021151195 182267609 /nfs/dbraw/zinc/26/76/09/182267609.db2.gz FJNNNSTWMRFJTC-MRXNPFEDSA-N 2 1 324.534 3.707 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022139 183329926 /nfs/dbraw/zinc/32/99/26/183329926.db2.gz ZTPULVKIBRDLHO-SMDDNHRTSA-N 2 1 322.250 3.706 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261804506 332392084 /nfs/dbraw/zinc/39/20/84/332392084.db2.gz RCAHURJHQJTZHV-AEFFLSMTSA-N 2 1 300.833 3.514 10 0 DHAEMP Cc1ccc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190490510 333271509 /nfs/dbraw/zinc/27/15/09/333271509.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190490510 333271511 /nfs/dbraw/zinc/27/15/11/333271511.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190490510 333271512 /nfs/dbraw/zinc/27/15/12/333271512.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190490510 333271513 /nfs/dbraw/zinc/27/15/13/333271513.db2.gz VBYSBBNSWCSRRF-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP CCSc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000186256253 337254957 /nfs/dbraw/zinc/25/49/57/337254957.db2.gz FKVOQPHBXLONJC-KRWDZBQOSA-N 2 1 315.486 3.968 10 0 DHAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187966 341362113 /nfs/dbraw/zinc/36/21/13/341362113.db2.gz WJYOSFQAPUFCRN-IUODEOHRSA-N 2 1 305.372 3.695 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187966 341362114 /nfs/dbraw/zinc/36/21/14/341362114.db2.gz WJYOSFQAPUFCRN-IUODEOHRSA-N 2 1 305.372 3.695 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102330 525530711 /nfs/dbraw/zinc/53/07/11/525530711.db2.gz AZRIEPPDEZLMEY-SJLPKXTDSA-N 2 1 323.484 3.977 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102330 525530720 /nfs/dbraw/zinc/53/07/20/525530720.db2.gz AZRIEPPDEZLMEY-SJLPKXTDSA-N 2 1 323.484 3.977 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952812 183321823 /nfs/dbraw/zinc/32/18/23/183321823.db2.gz PKPDXXYATVWTEE-LSDHHAIUSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952812 183321825 /nfs/dbraw/zinc/32/18/25/183321825.db2.gz PKPDXXYATVWTEE-LSDHHAIUSA-N 2 1 313.283 3.958 10 0 DHAEMP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952835 183321878 /nfs/dbraw/zinc/32/18/78/183321878.db2.gz SFPGQYXLNNGVGD-ABAIWWIYSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952835 183321880 /nfs/dbraw/zinc/32/18/80/183321880.db2.gz SFPGQYXLNNGVGD-ABAIWWIYSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)[C@@H](C)C1CC1 ZINC000042953324 183322388 /nfs/dbraw/zinc/32/23/88/183322388.db2.gz ZMDBRBHTDNBFOM-JRPNMDOOSA-N 2 1 311.267 3.568 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000042953324 183322390 /nfs/dbraw/zinc/32/23/90/183322390.db2.gz ZMDBRBHTDNBFOM-JRPNMDOOSA-N 2 1 311.267 3.568 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042955990 183322936 /nfs/dbraw/zinc/32/29/36/183322936.db2.gz UXPSGOUBYKCJQR-SMDDNHRTSA-N 2 1 322.250 3.706 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020378 183328774 /nfs/dbraw/zinc/32/87/74/183328774.db2.gz MPOBURSQCXAMBL-HUUCEWRRSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020378 183328776 /nfs/dbraw/zinc/32/87/76/183328776.db2.gz MPOBURSQCXAMBL-HUUCEWRRSA-N 2 1 313.283 3.815 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022272 183329585 /nfs/dbraw/zinc/32/95/85/183329585.db2.gz PEZRNONFRUVMAE-UKRRQHHQSA-N 2 1 322.250 3.535 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022135 183330028 /nfs/dbraw/zinc/33/00/28/183330028.db2.gz ZTPULVKIBRDLHO-BXUZGUMPSA-N 2 1 322.250 3.706 10 0 DHAEMP CCC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947780 332015860 /nfs/dbraw/zinc/01/58/60/332015860.db2.gz NWNGWAAVZBXKOV-QGZVFWFLSA-N 2 1 302.462 3.753 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000302102465 336348648 /nfs/dbraw/zinc/34/86/48/336348648.db2.gz QLTSDDLMAWCGRW-MAUKXSAKSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102465 336348649 /nfs/dbraw/zinc/34/86/49/336348649.db2.gz QLTSDDLMAWCGRW-MAUKXSAKSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102465 336348650 /nfs/dbraw/zinc/34/86/50/336348650.db2.gz QLTSDDLMAWCGRW-MAUKXSAKSA-N 2 1 324.472 3.670 10 0 DHAEMP C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102308 525453677 /nfs/dbraw/zinc/45/36/77/525453677.db2.gz AZRIEPPDEZLMEY-FUHWJXTLSA-N 2 1 323.484 3.977 10 0 DHAEMP C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102308 525453689 /nfs/dbraw/zinc/45/36/89/525453689.db2.gz AZRIEPPDEZLMEY-FUHWJXTLSA-N 2 1 323.484 3.977 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136741 527443709 /nfs/dbraw/zinc/44/37/09/527443709.db2.gz FYIFHEXDRBXUNL-ZFWWWQNUSA-N 2 1 310.401 3.558 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136741 527443715 /nfs/dbraw/zinc/44/37/15/527443715.db2.gz FYIFHEXDRBXUNL-ZFWWWQNUSA-N 2 1 310.401 3.558 10 0 DHAEMP CC[NH+](CC)CCCNc1[nH+]c2ccccc2n1CC(C)C ZINC000006869481 190625660 /nfs/dbraw/zinc/62/56/60/190625660.db2.gz VCJRVLRDENDCAZ-UHFFFAOYSA-N 2 1 302.466 3.836 10 0 DHAEMP CCCC[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952513 183320465 /nfs/dbraw/zinc/32/04/65/183320465.db2.gz IMVLECWXZUWXTH-IUODEOHRSA-N 2 1 313.283 3.959 10 0 DHAEMP CCCC[N@@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952513 183320468 /nfs/dbraw/zinc/32/04/68/183320468.db2.gz IMVLECWXZUWXTH-IUODEOHRSA-N 2 1 313.283 3.959 10 0 DHAEMP CC[C@H](C)C[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952970 183321368 /nfs/dbraw/zinc/32/13/68/183321368.db2.gz VWSUHZLRQNIEJF-YWPYICTPSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H](C)C[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952970 183321371 /nfs/dbraw/zinc/32/13/71/183321371.db2.gz VWSUHZLRQNIEJF-YWPYICTPSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[N@H+](CC(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952933 183321474 /nfs/dbraw/zinc/32/14/74/183321474.db2.gz ZQVHUXGEWYTMRL-DOMZBBRYSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[N@@H+](CC(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952933 183321475 /nfs/dbraw/zinc/32/14/75/183321475.db2.gz ZQVHUXGEWYTMRL-DOMZBBRYSA-N 2 1 313.283 3.815 10 0 DHAEMP CC(C)[C@H](C)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953345 183322192 /nfs/dbraw/zinc/32/21/92/183322192.db2.gz CCDZELOBRISLBV-TYNCELHUSA-N 2 1 313.283 3.814 10 0 DHAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953345 183322194 /nfs/dbraw/zinc/32/21/94/183322194.db2.gz CCDZELOBRISLBV-TYNCELHUSA-N 2 1 313.283 3.814 10 0 DHAEMP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020336 183328951 /nfs/dbraw/zinc/32/89/51/183328951.db2.gz LUUVWZFOCVTCHI-XHDPSFHLSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020336 183328953 /nfs/dbraw/zinc/32/89/53/183328953.db2.gz LUUVWZFOCVTCHI-XHDPSFHLSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1[NH+](C)C ZINC000301784869 336329634 /nfs/dbraw/zinc/32/96/34/336329634.db2.gz KRYZUMAQQZSCKQ-BDJLRTHQSA-N 2 1 323.362 3.640 10 0 DHAEMP C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102352 525452441 /nfs/dbraw/zinc/45/24/41/525452441.db2.gz AZRIEPPDEZLMEY-WMZOPIPTSA-N 2 1 323.484 3.977 10 0 DHAEMP C[C@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102352 525452453 /nfs/dbraw/zinc/45/24/53/525452453.db2.gz AZRIEPPDEZLMEY-WMZOPIPTSA-N 2 1 323.484 3.977 10 0 DHAEMP [NH3+][C@@H]1CCCc2nc([C@@H]3CCC[N@@H+]3Cc3ccccc3)sc21 ZINC000072207476 527362878 /nfs/dbraw/zinc/36/28/78/527362878.db2.gz NQNBJWRDONXCIW-ZBFHGGJFSA-N 2 1 313.470 3.816 10 0 DHAEMP [NH3+][C@@H]1CCCc2nc([C@@H]3CCC[N@H+]3Cc3ccccc3)sc21 ZINC000072207476 527362890 /nfs/dbraw/zinc/36/28/90/527362890.db2.gz NQNBJWRDONXCIW-ZBFHGGJFSA-N 2 1 313.470 3.816 10 0 DHAEMP C([C@@H]1CCCO1)[N@@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCC1 ZINC000012094340 563361710 /nfs/dbraw/zinc/36/17/10/563361710.db2.gz SSIXSTSZBZZJBA-FQEVSTJZSA-N 2 1 320.521 3.675 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020381 183328427 /nfs/dbraw/zinc/32/84/27/183328427.db2.gz MPOBURSQCXAMBL-CABCVRRESA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020381 183328429 /nfs/dbraw/zinc/32/84/29/183328429.db2.gz MPOBURSQCXAMBL-CABCVRRESA-N 2 1 313.283 3.815 10 0 DHAEMP CCC(CC)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020645 183329565 /nfs/dbraw/zinc/32/95/65/183329565.db2.gz JATYNYXXERTEKI-IAQYHMDHSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC(CC)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020645 183329566 /nfs/dbraw/zinc/32/95/66/183329566.db2.gz JATYNYXXERTEKI-IAQYHMDHSA-N 2 1 313.283 3.958 10 0 DHAEMP CCSc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000186256230 337254920 /nfs/dbraw/zinc/25/49/20/337254920.db2.gz FKVOQPHBXLONJC-QGZVFWFLSA-N 2 1 315.486 3.968 10 0 DHAEMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261873386 337612025 /nfs/dbraw/zinc/61/20/25/337612025.db2.gz DLICLXOYCGTTHD-KCUHQSDYSA-N 2 1 316.489 3.618 10 0 DHAEMP [NH3+]CCC[C@H](Nc1cc[nH+]cc1Br)c1ccccc1 ZINC000312121406 340451696 /nfs/dbraw/zinc/45/16/96/340451696.db2.gz VKUCTBUAABUFLH-AWEZNQCLSA-N 2 1 320.234 3.736 10 0 DHAEMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000191485079 521662721 /nfs/dbraw/zinc/66/27/21/521662721.db2.gz OBJHPEIUDNCYKX-UHFFFAOYSA-N 2 1 322.456 3.906 10 0 DHAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000191485079 521662725 /nfs/dbraw/zinc/66/27/25/521662725.db2.gz OBJHPEIUDNCYKX-UHFFFAOYSA-N 2 1 322.456 3.906 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102374 525530810 /nfs/dbraw/zinc/53/08/10/525530810.db2.gz AZRIEPPDEZLMEY-AEFFLSMTSA-N 2 1 323.484 3.977 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccc2ccccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102374 525530818 /nfs/dbraw/zinc/53/08/18/525530818.db2.gz AZRIEPPDEZLMEY-AEFFLSMTSA-N 2 1 323.484 3.977 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952916 183321489 /nfs/dbraw/zinc/32/14/89/183321489.db2.gz ZIXNJFVLRGFAKE-GJZGRUSLSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952916 183321490 /nfs/dbraw/zinc/32/14/90/183321490.db2.gz ZIXNJFVLRGFAKE-GJZGRUSLSA-N 2 1 313.283 3.815 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042956219 183322702 /nfs/dbraw/zinc/32/27/02/183322702.db2.gz UYPQIOQJBIPEDV-UKRRQHHQSA-N 2 1 322.250 3.535 10 0 DHAEMP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657186 341382962 /nfs/dbraw/zinc/38/29/62/341382962.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248657186 341382963 /nfs/dbraw/zinc/38/29/63/341382963.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248657186 341382964 /nfs/dbraw/zinc/38/29/64/341382964.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248657186 341382965 /nfs/dbraw/zinc/38/29/65/341382965.db2.gz SEUXKGJRHNJBKK-ICSRJNTNSA-N 2 1 323.484 3.905 10 0 DHAEMP Cc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000190479379 524407304 /nfs/dbraw/zinc/40/73/04/524407304.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000190479379 524407308 /nfs/dbraw/zinc/40/73/08/524407308.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190479379 524407322 /nfs/dbraw/zinc/40/73/22/524407322.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190479379 524407331 /nfs/dbraw/zinc/40/73/31/524407331.db2.gz NBMLYZLZYVENFY-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP CCC[NH+](CCC)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042952091 183320549 /nfs/dbraw/zinc/32/05/49/183320549.db2.gz ZYZOVBFLMSKELB-SWLSCSKDSA-N 2 1 313.283 3.959 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955984 183322659 /nfs/dbraw/zinc/32/26/59/183322659.db2.gz UXPSGOUBYKCJQR-BXUZGUMPSA-N 2 1 322.250 3.706 10 0 DHAEMP CC(C)c1cnc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000183035673 337191069 /nfs/dbraw/zinc/19/10/69/337191069.db2.gz YUHWCZPERSCGEU-AWEZNQCLSA-N 2 1 316.474 3.596 10 0 DHAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000133013915 341151851 /nfs/dbraw/zinc/15/18/51/341151851.db2.gz ZWAKPUPJDPABBH-HYVNUMGLSA-N 2 1 302.462 3.609 10 0 DHAEMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000133013915 341151852 /nfs/dbraw/zinc/15/18/52/341151852.db2.gz ZWAKPUPJDPABBH-HYVNUMGLSA-N 2 1 302.462 3.609 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042955987 183322942 /nfs/dbraw/zinc/32/29/42/183322942.db2.gz UXPSGOUBYKCJQR-RISCZKNCSA-N 2 1 322.250 3.706 10 0 DHAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@H]12 ZINC000261774172 332276340 /nfs/dbraw/zinc/27/63/40/332276340.db2.gz PANYOAJGWISSJP-WCFLWFBJSA-N 2 1 306.862 3.724 10 0 DHAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261796061 332372636 /nfs/dbraw/zinc/37/26/36/332372636.db2.gz LHVAVTCIHXASEO-CVEARBPZSA-N 2 1 318.823 3.653 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)C[C@H]1c1ccccc1 ZINC000261796061 332372638 /nfs/dbraw/zinc/37/26/38/332372638.db2.gz LHVAVTCIHXASEO-CVEARBPZSA-N 2 1 318.823 3.653 10 0 DHAEMP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650728 341382877 /nfs/dbraw/zinc/38/28/77/341382877.db2.gz MDJCYGJWCCZXSH-PZJWPPBQSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650728 341382878 /nfs/dbraw/zinc/38/28/78/341382878.db2.gz MDJCYGJWCCZXSH-PZJWPPBQSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650728 341382879 /nfs/dbraw/zinc/38/28/79/341382879.db2.gz MDJCYGJWCCZXSH-PZJWPPBQSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650728 341382880 /nfs/dbraw/zinc/38/28/80/341382880.db2.gz MDJCYGJWCCZXSH-PZJWPPBQSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952815 183322161 /nfs/dbraw/zinc/32/21/61/183322161.db2.gz PKPDXXYATVWTEE-HUUCEWRRSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952815 183322162 /nfs/dbraw/zinc/32/21/62/183322162.db2.gz PKPDXXYATVWTEE-HUUCEWRRSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000128947983 332015823 /nfs/dbraw/zinc/01/58/23/332015823.db2.gz NWNGWAAVZBXKOV-KRWDZBQOSA-N 2 1 302.462 3.753 10 0 DHAEMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@@H]12 ZINC000261774164 332276279 /nfs/dbraw/zinc/27/62/79/332276279.db2.gz PANYOAJGWISSJP-CYZMBNFOSA-N 2 1 306.862 3.724 10 0 DHAEMP Cc1ccc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190490531 333271554 /nfs/dbraw/zinc/27/15/54/333271554.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190490531 333271555 /nfs/dbraw/zinc/27/15/55/333271555.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190490531 333271557 /nfs/dbraw/zinc/27/15/57/333271557.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190490531 333271558 /nfs/dbraw/zinc/27/15/58/333271558.db2.gz VBYSBBNSWCSRRF-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301806928 336331472 /nfs/dbraw/zinc/33/14/72/336331472.db2.gz VXGNQFHCBPOVNM-QKYXUNIQSA-N 2 1 321.468 3.718 10 0 DHAEMP Cc1cc(C)cc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190485180 524383863 /nfs/dbraw/zinc/38/38/63/524383863.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485180 524383869 /nfs/dbraw/zinc/38/38/69/524383869.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485180 524383876 /nfs/dbraw/zinc/38/38/76/524383876.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485180 524383885 /nfs/dbraw/zinc/38/38/85/524383885.db2.gz LTYIILRMKLTJPC-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133868 527450354 /nfs/dbraw/zinc/45/03/54/527450354.db2.gz OUBZGXJNPWCGBG-OAHLLOKOSA-N 2 1 318.490 3.511 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133868 527450357 /nfs/dbraw/zinc/45/03/57/527450357.db2.gz OUBZGXJNPWCGBG-OAHLLOKOSA-N 2 1 318.490 3.511 10 0 DHAEMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000020967515 182256693 /nfs/dbraw/zinc/25/66/93/182256693.db2.gz VWHBLYZKMXQHFI-UHFFFAOYSA-N 2 1 319.276 3.824 10 0 DHAEMP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952830 183322207 /nfs/dbraw/zinc/32/22/07/183322207.db2.gz SFPGQYXLNNGVGD-NHYWBVRUSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952830 183322210 /nfs/dbraw/zinc/32/22/10/183322210.db2.gz SFPGQYXLNNGVGD-NHYWBVRUSA-N 2 1 311.267 3.712 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042956215 183323159 /nfs/dbraw/zinc/32/31/59/183323159.db2.gz UYPQIOQJBIPEDV-HIFRSBDPSA-N 2 1 322.250 3.535 10 0 DHAEMP CCC[N@H+](C(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020355 183328787 /nfs/dbraw/zinc/32/87/87/183328787.db2.gz JIOCXQAEGUULMP-DOMZBBRYSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[N@@H+](C(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020355 183328788 /nfs/dbraw/zinc/32/87/88/183328788.db2.gz JIOCXQAEGUULMP-DOMZBBRYSA-N 2 1 313.283 3.958 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022141 183329582 /nfs/dbraw/zinc/32/95/82/183329582.db2.gz ZTPULVKIBRDLHO-FZMZJTMJSA-N 2 1 322.250 3.706 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043093919 183336773 /nfs/dbraw/zinc/33/67/73/183336773.db2.gz FYLRLYZGQGXLEU-ZFWWWQNUSA-N 2 1 322.250 3.535 10 0 DHAEMP CN(C)[C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716543 257209734 /nfs/dbraw/zinc/20/97/34/257209734.db2.gz GVWQHTDXXGHFEL-HSALFYBXSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716543 257209736 /nfs/dbraw/zinc/20/97/36/257209736.db2.gz GVWQHTDXXGHFEL-HSALFYBXSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716543 257209737 /nfs/dbraw/zinc/20/97/37/257209737.db2.gz GVWQHTDXXGHFEL-HSALFYBXSA-N 2 1 310.416 3.658 10 0 DHAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000261602496 332281724 /nfs/dbraw/zinc/28/17/24/332281724.db2.gz AKQWLEDYDDFNOW-WBVHZDCISA-N 2 1 318.823 3.653 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1c1ccccc1 ZINC000261602496 332281725 /nfs/dbraw/zinc/28/17/25/332281725.db2.gz AKQWLEDYDDFNOW-WBVHZDCISA-N 2 1 318.823 3.653 10 0 DHAEMP Clc1ccc2c(c1)[nH+]ccc2N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261865415 332612706 /nfs/dbraw/zinc/61/27/06/332612706.db2.gz GJVVRYHIOCRTNI-INIZCTEOSA-N 2 1 315.848 3.857 10 0 DHAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000122903209 337030208 /nfs/dbraw/zinc/03/02/08/337030208.db2.gz IAVUTPGLOAFLKQ-ZMSDIMECSA-N 2 1 313.445 3.999 10 0 DHAEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC000122903209 337030209 /nfs/dbraw/zinc/03/02/09/337030209.db2.gz IAVUTPGLOAFLKQ-ZMSDIMECSA-N 2 1 313.445 3.999 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321765 337163809 /nfs/dbraw/zinc/16/38/09/337163809.db2.gz XJUFGYHMZTURJP-MRXNPFEDSA-N 2 1 323.362 3.875 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321765 337163810 /nfs/dbraw/zinc/16/38/10/337163810.db2.gz XJUFGYHMZTURJP-MRXNPFEDSA-N 2 1 323.362 3.875 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952914 183321779 /nfs/dbraw/zinc/32/17/79/183321779.db2.gz ZIXNJFVLRGFAKE-HUUCEWRRSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952914 183321781 /nfs/dbraw/zinc/32/17/81/183321781.db2.gz ZIXNJFVLRGFAKE-HUUCEWRRSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952918 183321985 /nfs/dbraw/zinc/32/19/85/183321985.db2.gz ZIXNJFVLRGFAKE-CABCVRRESA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952918 183321986 /nfs/dbraw/zinc/32/19/86/183321986.db2.gz ZIXNJFVLRGFAKE-CABCVRRESA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952818 183322373 /nfs/dbraw/zinc/32/23/73/183322373.db2.gz PKPDXXYATVWTEE-GJZGRUSLSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952818 183322375 /nfs/dbraw/zinc/32/23/75/183322375.db2.gz PKPDXXYATVWTEE-GJZGRUSLSA-N 2 1 313.283 3.958 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093768 183336440 /nfs/dbraw/zinc/33/64/40/183336440.db2.gz AHCQLALFAATMLS-RISCZKNCSA-N 2 1 322.250 3.706 10 0 DHAEMP Cc1cccc2c(N3CCC([N@@H+]4CCC[C@@H]4C)CC3)cc[nH+]c12 ZINC000301803045 336331188 /nfs/dbraw/zinc/33/11/88/336331188.db2.gz WTTFKPWBHJZWTK-INIZCTEOSA-N 2 1 309.457 3.996 10 0 DHAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC000180468239 337174909 /nfs/dbraw/zinc/17/49/09/337174909.db2.gz MFQAHZZFZJJUAB-INIZCTEOSA-N 2 1 303.837 3.818 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000248405160 341376734 /nfs/dbraw/zinc/37/67/34/341376734.db2.gz ANGFFOZOGBDJOQ-HKJQZYRSSA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccccn1 ZINC000248405160 341376735 /nfs/dbraw/zinc/37/67/35/341376735.db2.gz ANGFFOZOGBDJOQ-HKJQZYRSSA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392771 /nfs/dbraw/zinc/39/27/71/341392771.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392772 /nfs/dbraw/zinc/39/27/72/341392772.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392773 /nfs/dbraw/zinc/39/27/73/341392773.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058367 341392774 /nfs/dbraw/zinc/39/27/74/341392774.db2.gz ZHCZLXQYTSPVQZ-QUCCMNQESA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392831 /nfs/dbraw/zinc/39/28/31/341392831.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392832 /nfs/dbraw/zinc/39/28/32/341392832.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392833 /nfs/dbraw/zinc/39/28/33/341392833.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 2 1 323.484 3.639 10 0 DHAEMP C[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000249058365 341392834 /nfs/dbraw/zinc/39/28/34/341392834.db2.gz ZHCZLXQYTSPVQZ-ICSRJNTNSA-N 2 1 323.484 3.639 10 0 DHAEMP [NH3+][C@@H]1CCCc2nc([C@H]3CCC[N@@H+]3Cc3ccccc3)sc21 ZINC000072207475 527362986 /nfs/dbraw/zinc/36/29/86/527362986.db2.gz NQNBJWRDONXCIW-GDBMZVCRSA-N 2 1 313.470 3.816 10 0 DHAEMP [NH3+][C@@H]1CCCc2nc([C@H]3CCC[N@H+]3Cc3ccccc3)sc21 ZINC000072207475 527362991 /nfs/dbraw/zinc/36/29/91/527362991.db2.gz NQNBJWRDONXCIW-GDBMZVCRSA-N 2 1 313.470 3.816 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132870 527440545 /nfs/dbraw/zinc/44/05/45/527440545.db2.gz HZRXTTPPRVZMIC-AWEZNQCLSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132870 527440549 /nfs/dbraw/zinc/44/05/49/527440549.db2.gz HZRXTTPPRVZMIC-AWEZNQCLSA-N 2 1 307.800 3.649 10 0 DHAEMP CCCC[N@H+](CC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952516 183320779 /nfs/dbraw/zinc/32/07/79/183320779.db2.gz IMVLECWXZUWXTH-DOMZBBRYSA-N 2 1 313.283 3.959 10 0 DHAEMP CCCC[N@@H+](CC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952516 183320782 /nfs/dbraw/zinc/32/07/82/183320782.db2.gz IMVLECWXZUWXTH-DOMZBBRYSA-N 2 1 313.283 3.959 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)C(C)C ZINC000042952821 183321749 /nfs/dbraw/zinc/32/17/49/183321749.db2.gz PKPDXXYATVWTEE-CABCVRRESA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)C(C)C ZINC000042952821 183321751 /nfs/dbraw/zinc/32/17/51/183321751.db2.gz PKPDXXYATVWTEE-CABCVRRESA-N 2 1 313.283 3.958 10 0 DHAEMP CC[N@H+](CC(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952930 183322075 /nfs/dbraw/zinc/32/20/75/183322075.db2.gz ZQVHUXGEWYTMRL-IUODEOHRSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[N@@H+](CC(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952930 183322077 /nfs/dbraw/zinc/32/20/77/183322077.db2.gz ZQVHUXGEWYTMRL-IUODEOHRSA-N 2 1 313.283 3.815 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022275 183329863 /nfs/dbraw/zinc/32/98/63/183329863.db2.gz PEZRNONFRUVMAE-DZGCQCFKSA-N 2 1 322.250 3.535 10 0 DHAEMP Cc1[nH+]ccn1-c1cc(Br)ccc1C[NH2+]CC(C)C ZINC000062738601 184251880 /nfs/dbraw/zinc/25/18/80/184251880.db2.gz PHLGGGVKKBTHSX-UHFFFAOYSA-N 2 1 322.250 3.689 10 0 DHAEMP C[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000063527745 184285050 /nfs/dbraw/zinc/28/50/50/184285050.db2.gz WERZHVVAFDJWFZ-UHFFFAOYSA-N 2 1 312.379 3.623 10 0 DHAEMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H](C[NH2+]C(C)(C)C)[C@@H]3C2)n1 ZINC000247876309 257115577 /nfs/dbraw/zinc/11/55/77/257115577.db2.gz OQAXPVDLIVVVPP-AOIWGVFYSA-N 2 1 315.505 3.626 10 0 DHAEMP CN(C)[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716544 257209493 /nfs/dbraw/zinc/20/94/93/257209493.db2.gz GVWQHTDXXGHFEL-SLFFLAALSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716544 257209494 /nfs/dbraw/zinc/20/94/94/257209494.db2.gz GVWQHTDXXGHFEL-SLFFLAALSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000503716544 257209496 /nfs/dbraw/zinc/20/94/96/257209496.db2.gz GVWQHTDXXGHFEL-SLFFLAALSA-N 2 1 310.416 3.658 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000180156793 333026990 /nfs/dbraw/zinc/02/69/90/333026990.db2.gz ANGFFOZOGBDJOQ-MCNSAMFCSA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccccn1 ZINC000180156793 333026991 /nfs/dbraw/zinc/02/69/91/333026991.db2.gz ANGFFOZOGBDJOQ-MCNSAMFCSA-N 2 1 321.468 3.643 10 0 DHAEMP CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2ccccc2[nH+]1 ZINC000301806929 336331434 /nfs/dbraw/zinc/33/14/34/336331434.db2.gz VXGNQFHCBPOVNM-QSFXBCCZSA-N 2 1 321.468 3.718 10 0 DHAEMP CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301806927 336331477 /nfs/dbraw/zinc/33/14/77/336331477.db2.gz VXGNQFHCBPOVNM-CVAIRZPRSA-N 2 1 321.468 3.718 10 0 DHAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC000180468217 337174815 /nfs/dbraw/zinc/17/48/15/337174815.db2.gz MFQAHZZFZJJUAB-MRXNPFEDSA-N 2 1 303.837 3.818 10 0 DHAEMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000192058437 337302206 /nfs/dbraw/zinc/30/22/06/337302206.db2.gz SJMQLTXHSMWJEA-OAHLLOKOSA-N 2 1 319.836 3.518 10 0 DHAEMP COc1ccc(Cl)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000192058437 337302207 /nfs/dbraw/zinc/30/22/07/337302207.db2.gz SJMQLTXHSMWJEA-OAHLLOKOSA-N 2 1 319.836 3.518 10 0 DHAEMP C([C@H]1CCCO1)[N@@H+](CC1CC[NH+](C2CCCC2)CC1)C1CCC1 ZINC000012094343 563361633 /nfs/dbraw/zinc/36/16/33/563361633.db2.gz SSIXSTSZBZZJBA-HXUWFJFHSA-N 2 1 320.521 3.675 10 0 DHAEMP C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000562960559 332652428 /nfs/dbraw/zinc/65/24/28/332652428.db2.gz PLHNIUJZZSCKCR-PKOBYXMFSA-N 2 1 324.468 3.743 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000189079682 527449842 /nfs/dbraw/zinc/44/98/42/527449842.db2.gz XMIUGJMKTDTDGP-OAHLLOKOSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000189079682 527449846 /nfs/dbraw/zinc/44/98/46/527449846.db2.gz XMIUGJMKTDTDGP-OAHLLOKOSA-N 2 1 307.800 3.649 10 0 DHAEMP C[C@@H](c1cc2cc(Br)ccc2o1)[NH+]1CCC([NH3+])CC1 ZINC000020521530 182226275 /nfs/dbraw/zinc/22/62/75/182226275.db2.gz KXLBKQGNMZXVPB-JTQLQIEISA-N 2 1 323.234 3.679 10 0 DHAEMP CCC[N@H+](C(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952871 183322039 /nfs/dbraw/zinc/32/20/39/183322039.db2.gz WSMBTBZDWUPJFH-DOMZBBRYSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[N@@H+](C(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952871 183322041 /nfs/dbraw/zinc/32/20/41/183322041.db2.gz WSMBTBZDWUPJFH-DOMZBBRYSA-N 2 1 313.283 3.958 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020337 183328456 /nfs/dbraw/zinc/32/84/56/183328456.db2.gz LUUVWZFOCVTCHI-IAQYHMDHSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020337 183328457 /nfs/dbraw/zinc/32/84/57/183328457.db2.gz LUUVWZFOCVTCHI-IAQYHMDHSA-N 2 1 311.267 3.712 10 0 DHAEMP CC[C@H](C)[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020403 183328813 /nfs/dbraw/zinc/32/88/13/183328813.db2.gz HGEBNLODJUTFLT-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@H](C)[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020403 183328817 /nfs/dbraw/zinc/32/88/17/183328817.db2.gz HGEBNLODJUTFLT-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000178304628 337162093 /nfs/dbraw/zinc/16/20/93/337162093.db2.gz UXMHMAJBDSEBDR-INIZCTEOSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCSc1ccc(F)cc1 ZINC000178304628 337162094 /nfs/dbraw/zinc/16/20/94/337162094.db2.gz UXMHMAJBDSEBDR-INIZCTEOSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321748 337163744 /nfs/dbraw/zinc/16/37/44/337163744.db2.gz XJUFGYHMZTURJP-INIZCTEOSA-N 2 1 323.362 3.875 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000178321748 337163745 /nfs/dbraw/zinc/16/37/45/337163745.db2.gz XJUFGYHMZTURJP-INIZCTEOSA-N 2 1 323.362 3.875 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000248405162 341376858 /nfs/dbraw/zinc/37/68/58/341376858.db2.gz ANGFFOZOGBDJOQ-XFIJJGBISA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccccn1 ZINC000248405162 341376859 /nfs/dbraw/zinc/37/68/59/341376859.db2.gz ANGFFOZOGBDJOQ-XFIJJGBISA-N 2 1 321.468 3.643 10 0 DHAEMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468051 /nfs/dbraw/zinc/46/80/51/524468051.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468065 /nfs/dbraw/zinc/46/80/65/524468065.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468072 /nfs/dbraw/zinc/46/80/72/524468072.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473747 524468082 /nfs/dbraw/zinc/46/80/82/524468082.db2.gz LSKCFDOXGOTJDR-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP CC[C@H](C)[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952951 183321234 /nfs/dbraw/zinc/32/12/34/183321234.db2.gz AKBLBFBBEHJUON-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[C@H](C)[N@@H+](CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952951 183321236 /nfs/dbraw/zinc/32/12/36/183321236.db2.gz AKBLBFBBEHJUON-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP CC[N@H+](CC(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020391 183328666 /nfs/dbraw/zinc/32/86/66/183328666.db2.gz APFJQQVNOXDULS-IUODEOHRSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[N@@H+](CC(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020391 183328667 /nfs/dbraw/zinc/32/86/67/183328667.db2.gz APFJQQVNOXDULS-IUODEOHRSA-N 2 1 313.283 3.815 10 0 DHAEMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+](C)C ZINC000301784872 336329619 /nfs/dbraw/zinc/32/96/19/336329619.db2.gz KRYZUMAQQZSCKQ-ZBEGNZNMSA-N 2 1 323.362 3.640 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000302102867 336348607 /nfs/dbraw/zinc/34/86/07/336348607.db2.gz QLTSDDLMAWCGRW-YJBOKZPZSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102867 336348608 /nfs/dbraw/zinc/34/86/08/336348608.db2.gz QLTSDDLMAWCGRW-YJBOKZPZSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102867 336348609 /nfs/dbraw/zinc/34/86/09/336348609.db2.gz QLTSDDLMAWCGRW-YJBOKZPZSA-N 2 1 324.472 3.670 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCSc1ccc(F)cc1 ZINC000178304641 337162248 /nfs/dbraw/zinc/16/22/48/337162248.db2.gz UXMHMAJBDSEBDR-MRXNPFEDSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCSc1ccc(F)cc1 ZINC000178304641 337162249 /nfs/dbraw/zinc/16/22/49/337162249.db2.gz UXMHMAJBDSEBDR-MRXNPFEDSA-N 2 1 319.449 3.587 10 0 DHAEMP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650724 341382906 /nfs/dbraw/zinc/38/29/06/341382906.db2.gz MDJCYGJWCCZXSH-FPOVZHCZSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248650724 341382907 /nfs/dbraw/zinc/38/29/07/341382907.db2.gz MDJCYGJWCCZXSH-FPOVZHCZSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248650724 341382908 /nfs/dbraw/zinc/38/29/08/341382908.db2.gz MDJCYGJWCCZXSH-FPOVZHCZSA-N 2 1 323.484 3.987 10 0 DHAEMP CC[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248650724 341382909 /nfs/dbraw/zinc/38/29/09/341382909.db2.gz MDJCYGJWCCZXSH-FPOVZHCZSA-N 2 1 323.484 3.987 10 0 DHAEMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697516 519817693 /nfs/dbraw/zinc/81/76/93/519817693.db2.gz ZCXHVPFFOWCZTP-CQSZACIVSA-N 2 1 306.347 3.650 10 0 DHAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697516 519817694 /nfs/dbraw/zinc/81/76/94/519817694.db2.gz ZCXHVPFFOWCZTP-CQSZACIVSA-N 2 1 306.347 3.650 10 0 DHAEMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000019368514 182119714 /nfs/dbraw/zinc/11/97/14/182119714.db2.gz QGZGPISOXZJTKU-CYBMUJFWSA-N 2 1 301.261 3.610 10 0 DHAEMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000019368514 182119715 /nfs/dbraw/zinc/11/97/15/182119715.db2.gz QGZGPISOXZJTKU-CYBMUJFWSA-N 2 1 301.261 3.610 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042955993 183323007 /nfs/dbraw/zinc/32/30/07/183323007.db2.gz UXPSGOUBYKCJQR-FZMZJTMJSA-N 2 1 322.250 3.706 10 0 DHAEMP CCC[NH+](CCC)[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043019947 183329031 /nfs/dbraw/zinc/32/90/31/183329031.db2.gz MKSJAESILHQSSI-WFASDCNBSA-N 2 1 313.283 3.959 10 0 DHAEMP CN(C)[C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716545 257209923 /nfs/dbraw/zinc/20/99/23/257209923.db2.gz GVWQHTDXXGHFEL-VAMGGRTRSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716545 257209924 /nfs/dbraw/zinc/20/99/24/257209924.db2.gz GVWQHTDXXGHFEL-VAMGGRTRSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716545 257209925 /nfs/dbraw/zinc/20/99/25/257209925.db2.gz GVWQHTDXXGHFEL-VAMGGRTRSA-N 2 1 310.416 3.658 10 0 DHAEMP Cc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1C ZINC000190479403 524404909 /nfs/dbraw/zinc/40/49/09/524404909.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1C ZINC000190479403 524404921 /nfs/dbraw/zinc/40/49/21/524404921.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190479403 524404924 /nfs/dbraw/zinc/40/49/24/524404924.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1C ZINC000190479403 524404929 /nfs/dbraw/zinc/40/49/29/524404929.db2.gz NBMLYZLZYVENFY-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000189079659 527441049 /nfs/dbraw/zinc/44/10/49/527441049.db2.gz XMIUGJMKTDTDGP-HNNXBMFYSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1Cl ZINC000189079659 527441055 /nfs/dbraw/zinc/44/10/55/527441055.db2.gz XMIUGJMKTDTDGP-HNNXBMFYSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130392 527449983 /nfs/dbraw/zinc/44/99/83/527449983.db2.gz KXOPGZPYWHIJFW-CQSZACIVSA-N 2 1 318.490 3.610 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130392 527449986 /nfs/dbraw/zinc/44/99/86/527449986.db2.gz KXOPGZPYWHIJFW-CQSZACIVSA-N 2 1 318.490 3.610 10 0 DHAEMP CCC[N@H+](C(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952868 183321534 /nfs/dbraw/zinc/32/15/34/183321534.db2.gz WSMBTBZDWUPJFH-IUODEOHRSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[N@@H+](C(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952868 183321536 /nfs/dbraw/zinc/32/15/36/183321536.db2.gz WSMBTBZDWUPJFH-IUODEOHRSA-N 2 1 313.283 3.958 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042956225 183322929 /nfs/dbraw/zinc/32/29/29/183322929.db2.gz UYPQIOQJBIPEDV-DZGCQCFKSA-N 2 1 322.250 3.535 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043022270 183330018 /nfs/dbraw/zinc/33/00/18/183330018.db2.gz PEZRNONFRUVMAE-HIFRSBDPSA-N 2 1 322.250 3.535 10 0 DHAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000261613468 332391997 /nfs/dbraw/zinc/39/19/97/332391997.db2.gz CFOMPJHDFOHDDI-WBVHZDCISA-N 2 1 318.823 3.653 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)C[C@H]1c1ccccc1 ZINC000261613468 332391998 /nfs/dbraw/zinc/39/19/98/332391998.db2.gz CFOMPJHDFOHDDI-WBVHZDCISA-N 2 1 318.823 3.653 10 0 DHAEMP C[C@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H]1[NH+](C)C ZINC000301784871 336329678 /nfs/dbraw/zinc/32/96/78/336329678.db2.gz KRYZUMAQQZSCKQ-MEDUHNTESA-N 2 1 323.362 3.640 10 0 DHAEMP CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c2ccccc2[nH+]1 ZINC000301806930 336331513 /nfs/dbraw/zinc/33/15/13/336331513.db2.gz VXGNQFHCBPOVNM-ZAAXVRCTSA-N 2 1 321.468 3.718 10 0 DHAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000247137840 341361427 /nfs/dbraw/zinc/36/14/27/341361427.db2.gz SDOJEGGTERFXHV-IEBWSBKVSA-N 2 1 318.505 3.584 10 0 DHAEMP CC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269450 341363046 /nfs/dbraw/zinc/36/30/46/341363046.db2.gz ZWAKPUPJDPABBH-XIRDDKMYSA-N 2 1 302.462 3.609 10 0 DHAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269450 341363048 /nfs/dbraw/zinc/36/30/48/341363048.db2.gz ZWAKPUPJDPABBH-XIRDDKMYSA-N 2 1 302.462 3.609 10 0 DHAEMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226448281 523272413 /nfs/dbraw/zinc/27/24/13/523272413.db2.gz KYZRZEZESFIZNE-CYBMUJFWSA-N 2 1 318.408 3.872 10 0 DHAEMP CCC[NH+](CCC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952084 183321069 /nfs/dbraw/zinc/32/10/69/183321069.db2.gz ZYZOVBFLMSKELB-IUODEOHRSA-N 2 1 313.283 3.959 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1ccccc1Br)[C@@H]([NH3+])CC ZINC000043093921 183336672 /nfs/dbraw/zinc/33/66/72/183336672.db2.gz FYLRLYZGQGXLEU-DZGCQCFKSA-N 2 1 322.250 3.535 10 0 DHAEMP FC1(F)CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390837002 333397898 /nfs/dbraw/zinc/39/78/98/333397898.db2.gz AMZYTUAEKGOHPP-AYHJJNSGSA-N 2 1 320.427 3.817 10 0 DHAEMP C[C@@H](CC[NH+]1CC=CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637486 337379511 /nfs/dbraw/zinc/37/95/11/337379511.db2.gz RJFPDFNSBRJRJD-ZDUSSCGKSA-N 2 1 301.821 3.951 10 0 DHAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3ccccc3F)C2)[nH+]1 ZINC000137584429 341276692 /nfs/dbraw/zinc/27/66/92/341276692.db2.gz MGNJPVICPVBOSK-MRXNPFEDSA-N 2 1 313.420 3.506 10 0 DHAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3ccccc3F)C2)[nH+]1 ZINC000137584429 341276693 /nfs/dbraw/zinc/27/66/93/341276693.db2.gz MGNJPVICPVBOSK-MRXNPFEDSA-N 2 1 313.420 3.506 10 0 DHAEMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697639 519796324 /nfs/dbraw/zinc/79/63/24/519796324.db2.gz ZCXHVPFFOWCZTP-AWEZNQCLSA-N 2 1 306.347 3.650 10 0 DHAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000156697639 519796325 /nfs/dbraw/zinc/79/63/25/519796325.db2.gz ZCXHVPFFOWCZTP-AWEZNQCLSA-N 2 1 306.347 3.650 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124112 527449600 /nfs/dbraw/zinc/44/96/00/527449600.db2.gz KWWXDZRIUDGBNS-CQSZACIVSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124112 527449608 /nfs/dbraw/zinc/44/96/08/527449608.db2.gz KWWXDZRIUDGBNS-CQSZACIVSA-N 2 1 307.800 3.649 10 0 DHAEMP C[N@H+](CCC[NH2+]C(C)(C)C)Cc1ccc(Br)cc1 ZINC000042440109 183270643 /nfs/dbraw/zinc/27/06/43/183270643.db2.gz NYRBFOBENKCRRW-UHFFFAOYSA-N 2 1 313.283 3.659 10 0 DHAEMP C[N@@H+](CCC[NH2+]C(C)(C)C)Cc1ccc(Br)cc1 ZINC000042440109 183270646 /nfs/dbraw/zinc/27/06/46/183270646.db2.gz NYRBFOBENKCRRW-UHFFFAOYSA-N 2 1 313.283 3.659 10 0 DHAEMP CC(C)n1ccnc1CSCC[N@@H+](C)Cc1ccccc1 ZINC000193621867 333304817 /nfs/dbraw/zinc/30/48/17/333304817.db2.gz UIVLBMIPWCBASH-UHFFFAOYSA-N 2 1 303.475 3.829 10 0 DHAEMP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1Br ZINC000157108200 524389969 /nfs/dbraw/zinc/38/99/69/524389969.db2.gz ABBPJPODIOGDFB-HNNXBMFYSA-N 2 1 313.283 3.563 10 0 DHAEMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524470987 /nfs/dbraw/zinc/47/09/87/524470987.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524470998 /nfs/dbraw/zinc/47/09/98/524470998.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524471004 /nfs/dbraw/zinc/47/10/04/524471004.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)c1 ZINC000190473723 524471014 /nfs/dbraw/zinc/47/10/14/524471014.db2.gz LSKCFDOXGOTJDR-HXUWFJFHSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136758 527448744 /nfs/dbraw/zinc/44/87/44/527448744.db2.gz FYIFHEXDRBXUNL-DZGCQCFKSA-N 2 1 310.401 3.558 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc2ccccc2o1 ZINC000181136758 527448751 /nfs/dbraw/zinc/44/87/51/527448751.db2.gz FYIFHEXDRBXUNL-DZGCQCFKSA-N 2 1 310.401 3.558 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132885 527450625 /nfs/dbraw/zinc/45/06/25/527450625.db2.gz HZRXTTPPRVZMIC-CQSZACIVSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(F)c1 ZINC000180132885 527450627 /nfs/dbraw/zinc/45/06/27/527450627.db2.gz HZRXTTPPRVZMIC-CQSZACIVSA-N 2 1 307.800 3.649 10 0 DHAEMP CC[NH+](CC)CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000006205166 181318873 /nfs/dbraw/zinc/31/88/73/181318873.db2.gz RXCHVPFMIASACC-UHFFFAOYSA-N 2 1 300.446 3.670 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022137 183329531 /nfs/dbraw/zinc/32/95/31/183329531.db2.gz ZTPULVKIBRDLHO-RISCZKNCSA-N 2 1 322.250 3.706 10 0 DHAEMP CN(C)[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716546 257209545 /nfs/dbraw/zinc/20/95/45/257209545.db2.gz GVWQHTDXXGHFEL-XUVXKRRUSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716546 257209547 /nfs/dbraw/zinc/20/95/47/257209547.db2.gz GVWQHTDXXGHFEL-XUVXKRRUSA-N 2 1 310.416 3.658 10 0 DHAEMP C[NH+](C)[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000503716546 257209549 /nfs/dbraw/zinc/20/95/49/257209549.db2.gz GVWQHTDXXGHFEL-XUVXKRRUSA-N 2 1 310.416 3.658 10 0 DHAEMP Cc1cccc2c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)cc[nH+]c12 ZINC000301652878 336321037 /nfs/dbraw/zinc/32/10/37/336321037.db2.gz GYSZGGWUEYJRKL-SJORKVTESA-N 2 1 309.457 3.995 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285200 337162008 /nfs/dbraw/zinc/16/20/08/337162008.db2.gz OSHDZYMKNCQAMK-GOSISDBHSA-N 2 1 324.403 3.543 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285200 337162009 /nfs/dbraw/zinc/16/20/09/337162009.db2.gz OSHDZYMKNCQAMK-GOSISDBHSA-N 2 1 324.403 3.543 10 0 DHAEMP C[N@@H+](Cc1ccc(Br)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000234288221 337297998 /nfs/dbraw/zinc/29/79/98/337297998.db2.gz PBFFSCMQINNUDK-UHFFFAOYSA-N 2 1 319.674 3.519 10 0 DHAEMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc43)CC2)cc1 ZINC000135955185 341248839 /nfs/dbraw/zinc/24/88/39/341248839.db2.gz QZLDWVPNMVIENB-NRFANRHFSA-N 2 1 306.453 3.928 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CC(C)C ZINC000043020379 183329070 /nfs/dbraw/zinc/32/90/70/183329070.db2.gz MPOBURSQCXAMBL-GJZGRUSLSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CC(C)C ZINC000043020379 183329072 /nfs/dbraw/zinc/32/90/72/183329072.db2.gz MPOBURSQCXAMBL-GJZGRUSLSA-N 2 1 313.283 3.815 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)[C@@H](C)C1CC1 ZINC000043020626 183329646 /nfs/dbraw/zinc/32/96/46/183329646.db2.gz MLXMDUFGQQEVCS-JRPNMDOOSA-N 2 1 311.267 3.568 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043020626 183329647 /nfs/dbraw/zinc/32/96/47/183329647.db2.gz MLXMDUFGQQEVCS-JRPNMDOOSA-N 2 1 311.267 3.568 10 0 DHAEMP Cc1ccc(COc2cccc(C[NH2+]CCC[NH+](C)C)c2)cc1 ZINC000020874478 182250721 /nfs/dbraw/zinc/25/07/21/182250721.db2.gz RQPZSXSBKSEWGR-UHFFFAOYSA-N 2 1 312.457 3.615 10 0 DHAEMP CCC(CC)[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020647 183329909 /nfs/dbraw/zinc/32/99/09/183329909.db2.gz JATYNYXXERTEKI-ABAIWWIYSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC(CC)[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020647 183329912 /nfs/dbraw/zinc/32/99/12/183329912.db2.gz JATYNYXXERTEKI-ABAIWWIYSA-N 2 1 313.283 3.958 10 0 DHAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@H]12 ZINC000261774166 332276433 /nfs/dbraw/zinc/27/64/33/332276433.db2.gz PANYOAJGWISSJP-KGYLQXTDSA-N 2 1 306.862 3.724 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000180156860 333026981 /nfs/dbraw/zinc/02/69/81/333026981.db2.gz IAGIPILRKZJYBB-LRGNLBRXSA-N 2 1 321.468 3.643 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000178321953 337163980 /nfs/dbraw/zinc/16/39/80/337163980.db2.gz XQTZVRMSADHEIX-OAHLLOKOSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000178321953 337163981 /nfs/dbraw/zinc/16/39/81/337163981.db2.gz XQTZVRMSADHEIX-OAHLLOKOSA-N 2 1 319.449 3.587 10 0 DHAEMP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000192058433 337302276 /nfs/dbraw/zinc/30/22/76/337302276.db2.gz SJMQLTXHSMWJEA-HNNXBMFYSA-N 2 1 319.836 3.518 10 0 DHAEMP COc1ccc(Cl)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000192058433 337302277 /nfs/dbraw/zinc/30/22/77/337302277.db2.gz SJMQLTXHSMWJEA-HNNXBMFYSA-N 2 1 319.836 3.518 10 0 DHAEMP CCC[N@H+](C(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020353 183328961 /nfs/dbraw/zinc/32/89/61/183328961.db2.gz JIOCXQAEGUULMP-IUODEOHRSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[N@@H+](C(C)C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020353 183328963 /nfs/dbraw/zinc/32/89/63/183328963.db2.gz JIOCXQAEGUULMP-IUODEOHRSA-N 2 1 313.283 3.958 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@@H]([NH3+])CC ZINC000043022273 183329525 /nfs/dbraw/zinc/32/95/25/183329525.db2.gz PEZRNONFRUVMAE-ZFWWWQNUSA-N 2 1 322.250 3.535 10 0 DHAEMP CCc1[nH+]ccn1[C@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043093917 183337035 /nfs/dbraw/zinc/33/70/35/183337035.db2.gz FYLRLYZGQGXLEU-UKRRQHHQSA-N 2 1 322.250 3.535 10 0 DHAEMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sc4ccccc4c3Cl)C[C@@H]12 ZINC000261774169 332276411 /nfs/dbraw/zinc/27/64/11/332276411.db2.gz PANYOAJGWISSJP-RAIGVLPGSA-N 2 1 306.862 3.724 10 0 DHAEMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247250118 520557608 /nfs/dbraw/zinc/55/76/08/520557608.db2.gz ZOGSRIBQMGJCKM-ZOBUZTSGSA-N 2 1 300.446 3.505 10 0 DHAEMP CC1(C)C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247250118 520557619 /nfs/dbraw/zinc/55/76/19/520557619.db2.gz ZOGSRIBQMGJCKM-ZOBUZTSGSA-N 2 1 300.446 3.505 10 0 DHAEMP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000157108350 524391185 /nfs/dbraw/zinc/39/11/85/524391185.db2.gz ABBPJPODIOGDFB-OAHLLOKOSA-N 2 1 313.283 3.563 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130374 527440715 /nfs/dbraw/zinc/44/07/15/527440715.db2.gz KXOPGZPYWHIJFW-AWEZNQCLSA-N 2 1 318.490 3.610 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)s1 ZINC000180130374 527440719 /nfs/dbraw/zinc/44/07/19/527440719.db2.gz KXOPGZPYWHIJFW-AWEZNQCLSA-N 2 1 318.490 3.610 10 0 DHAEMP CCC(CC)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953360 183321199 /nfs/dbraw/zinc/32/11/99/183321199.db2.gz NKDZSIBPRYOEBH-IAQYHMDHSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC(CC)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953360 183321202 /nfs/dbraw/zinc/32/12/02/183321202.db2.gz NKDZSIBPRYOEBH-IAQYHMDHSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[C@H](C)[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953375 183321947 /nfs/dbraw/zinc/32/19/47/183321947.db2.gz HBUYLTOECQUCOD-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[C@H](C)[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953375 183321948 /nfs/dbraw/zinc/32/19/48/183321948.db2.gz HBUYLTOECQUCOD-YWPYICTPSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[N@H+](CC)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952865 183322124 /nfs/dbraw/zinc/32/21/24/183322124.db2.gz XYLYLHHARMESLN-HUUCEWRRSA-N 2 1 313.283 3.959 10 0 DHAEMP CCC[N@@H+](CC)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952865 183322127 /nfs/dbraw/zinc/32/21/27/183322127.db2.gz XYLYLHHARMESLN-HUUCEWRRSA-N 2 1 313.283 3.959 10 0 DHAEMP CC[N@H+](CC(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020392 183329122 /nfs/dbraw/zinc/32/91/22/183329122.db2.gz APFJQQVNOXDULS-DOMZBBRYSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[N@@H+](CC(C)C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020392 183329124 /nfs/dbraw/zinc/32/91/24/183329124.db2.gz APFJQQVNOXDULS-DOMZBBRYSA-N 2 1 313.283 3.815 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)C[C@H]1c1ccccc1 ZINC000261663769 336051430 /nfs/dbraw/zinc/05/14/30/336051430.db2.gz HCFNEYQXYQCJAS-HIFRSBDPSA-N 2 1 306.862 3.576 10 0 DHAEMP C[C@H](CC[NH+]1CC=CC1)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637485 337379489 /nfs/dbraw/zinc/37/94/89/337379489.db2.gz RJFPDFNSBRJRJD-CYBMUJFWSA-N 2 1 301.821 3.951 10 0 DHAEMP CC[N@H+]1CC[C@H](N[C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269408 341362966 /nfs/dbraw/zinc/36/29/66/341362966.db2.gz ZWAKPUPJDPABBH-BHYGNILZSA-N 2 1 302.462 3.609 10 0 DHAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)C1 ZINC000247269408 341362968 /nfs/dbraw/zinc/36/29/68/341362968.db2.gz ZWAKPUPJDPABBH-BHYGNILZSA-N 2 1 302.462 3.609 10 0 DHAEMP C[NH+](C)CCC[N@H+](Cc1cccs1)C[C@H]1CCOC(C)(C)C1 ZINC000021151198 182267219 /nfs/dbraw/zinc/26/72/19/182267219.db2.gz FJNNNSTWMRFJTC-INIZCTEOSA-N 2 1 324.534 3.707 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CC(C)C ZINC000042952911 183321998 /nfs/dbraw/zinc/32/19/98/183321998.db2.gz ZIXNJFVLRGFAKE-LSDHHAIUSA-N 2 1 313.283 3.815 10 0 DHAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)C ZINC000042952911 183321999 /nfs/dbraw/zinc/32/19/99/183321999.db2.gz ZIXNJFVLRGFAKE-LSDHHAIUSA-N 2 1 313.283 3.815 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000192613439 336194817 /nfs/dbraw/zinc/19/48/17/336194817.db2.gz VJOAKDWXSHMLBP-SFHVURJKSA-N 2 1 315.486 3.589 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000192613439 336194818 /nfs/dbraw/zinc/19/48/18/336194818.db2.gz VJOAKDWXSHMLBP-SFHVURJKSA-N 2 1 315.486 3.589 10 0 DHAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3ccccc3F)C2)[nH+]1 ZINC000137584347 341276635 /nfs/dbraw/zinc/27/66/35/341276635.db2.gz MGNJPVICPVBOSK-INIZCTEOSA-N 2 1 313.420 3.506 10 0 DHAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3F)C2)[nH+]1 ZINC000137584347 341276636 /nfs/dbraw/zinc/27/66/36/341276636.db2.gz MGNJPVICPVBOSK-INIZCTEOSA-N 2 1 313.420 3.506 10 0 DHAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000247137867 341361456 /nfs/dbraw/zinc/36/14/56/341361456.db2.gz SDOJEGGTERFXHV-PKOBYXMFSA-N 2 1 318.505 3.584 10 0 DHAEMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248641727 341382566 /nfs/dbraw/zinc/38/25/66/341382566.db2.gz CQZZNZDELZOYKP-MJGOQNOKSA-N 2 1 309.457 3.597 10 0 DHAEMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)s1 ZINC000090406350 1032399543 /nfs/dbraw/zinc/39/95/43/1032399543.db2.gz BBHNEKSQBMRIIB-CYBMUJFWSA-N 2 1 307.507 3.757 10 0 DHAEMP CCCOc1ccc2ccccc2c1C[NH2+]CCC[NH+](C)C ZINC000020968001 182256482 /nfs/dbraw/zinc/25/64/82/182256482.db2.gz HTTWZWMHGIYUQO-UHFFFAOYSA-N 2 1 300.446 3.670 10 0 DHAEMP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952838 183321687 /nfs/dbraw/zinc/32/16/87/183321687.db2.gz SFPGQYXLNNGVGD-XHDPSFHLSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952838 183321689 /nfs/dbraw/zinc/32/16/89/183321689.db2.gz SFPGQYXLNNGVGD-XHDPSFHLSA-N 2 1 311.267 3.712 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])CC ZINC000042956222 183322951 /nfs/dbraw/zinc/32/29/51/183322951.db2.gz UYPQIOQJBIPEDV-ZFWWWQNUSA-N 2 1 322.250 3.535 10 0 DHAEMP CCC[NH+](CCC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043019944 183328645 /nfs/dbraw/zinc/32/86/45/183328645.db2.gz MKSJAESILHQSSI-DOMZBBRYSA-N 2 1 313.283 3.959 10 0 DHAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187955 341362005 /nfs/dbraw/zinc/36/20/05/341362005.db2.gz WJYOSFQAPUFCRN-DOMZBBRYSA-N 2 1 305.372 3.695 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1cc(F)ccc1F ZINC000247187955 341362006 /nfs/dbraw/zinc/36/20/06/341362006.db2.gz WJYOSFQAPUFCRN-DOMZBBRYSA-N 2 1 305.372 3.695 10 0 DHAEMP CC[N@H+]1CC[C@H](N[C@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000247269420 341362976 /nfs/dbraw/zinc/36/29/76/341362976.db2.gz ZWAKPUPJDPABBH-PVAVHDDUSA-N 2 1 302.462 3.609 10 0 DHAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@H](C)C1 ZINC000247269420 341362978 /nfs/dbraw/zinc/36/29/78/341362978.db2.gz ZWAKPUPJDPABBH-PVAVHDDUSA-N 2 1 302.462 3.609 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccncc1 ZINC000248411299 341377052 /nfs/dbraw/zinc/37/70/52/341377052.db2.gz IAGIPILRKZJYBB-VRXWPRPYSA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248641724 341382542 /nfs/dbraw/zinc/38/25/42/341382542.db2.gz CQZZNZDELZOYKP-HKUYNNGSSA-N 2 1 309.457 3.597 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)C1CCCC1 ZINC000042952841 183321418 /nfs/dbraw/zinc/32/14/18/183321418.db2.gz SFPGQYXLNNGVGD-IAQYHMDHSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)C1CCCC1 ZINC000042952841 183321420 /nfs/dbraw/zinc/32/14/20/183321420.db2.gz SFPGQYXLNNGVGD-IAQYHMDHSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000562960556 332652507 /nfs/dbraw/zinc/65/25/07/332652507.db2.gz PLHNIUJZZSCKCR-IEBWSBKVSA-N 2 1 324.468 3.743 10 0 DHAEMP Cc1cccc2c(N3CCC([N@@H+]4CCC[C@H]4C)CC3)cc[nH+]c12 ZINC000301803046 336331184 /nfs/dbraw/zinc/33/11/84/336331184.db2.gz WTTFKPWBHJZWTK-MRXNPFEDSA-N 2 1 309.457 3.996 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000178321939 337163901 /nfs/dbraw/zinc/16/39/01/337163901.db2.gz XQTZVRMSADHEIX-HNNXBMFYSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCSc1ccccc1F ZINC000178321939 337163902 /nfs/dbraw/zinc/16/39/02/337163902.db2.gz XQTZVRMSADHEIX-HNNXBMFYSA-N 2 1 319.449 3.587 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133854 527441798 /nfs/dbraw/zinc/44/17/98/527441798.db2.gz OUBZGXJNPWCGBG-HNNXBMFYSA-N 2 1 318.490 3.511 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000180133854 527441805 /nfs/dbraw/zinc/44/18/05/527441805.db2.gz OUBZGXJNPWCGBG-HNNXBMFYSA-N 2 1 318.490 3.511 10 0 DHAEMP CCC[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301401451 336304600 /nfs/dbraw/zinc/30/46/00/336304600.db2.gz QILNVXQLKDOLSG-UHFFFAOYSA-N 2 1 303.837 3.810 10 0 DHAEMP CCC[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301401451 336304601 /nfs/dbraw/zinc/30/46/01/336304601.db2.gz QILNVXQLKDOLSG-UHFFFAOYSA-N 2 1 303.837 3.810 10 0 DHAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042828 337081346 /nfs/dbraw/zinc/08/13/46/337081346.db2.gz SNWYJDIOWNCCHG-MRXNPFEDSA-N 2 1 303.837 3.818 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285180 337161979 /nfs/dbraw/zinc/16/19/79/337161979.db2.gz OSHDZYMKNCQAMK-SFHVURJKSA-N 2 1 324.403 3.543 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc21 ZINC000178285180 337161980 /nfs/dbraw/zinc/16/19/80/337161980.db2.gz OSHDZYMKNCQAMK-SFHVURJKSA-N 2 1 324.403 3.543 10 0 DHAEMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247248646 341362765 /nfs/dbraw/zinc/36/27/65/341362765.db2.gz ZOGSRIBQMGJCKM-VYDXJSESSA-N 2 1 300.446 3.505 10 0 DHAEMP CC1(C)C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2O1 ZINC000247248646 341362766 /nfs/dbraw/zinc/36/27/66/341362766.db2.gz ZOGSRIBQMGJCKM-VYDXJSESSA-N 2 1 300.446 3.505 10 0 DHAEMP C[C@H](c1cc2cc(Br)ccc2o1)[NH+]1CCC([NH3+])CC1 ZINC000020521529 182226679 /nfs/dbraw/zinc/22/66/79/182226679.db2.gz KXLBKQGNMZXVPB-SNVBAGLBSA-N 2 1 323.234 3.679 10 0 DHAEMP CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042952095 183320558 /nfs/dbraw/zinc/32/05/58/183320558.db2.gz ZYZOVBFLMSKELB-WFASDCNBSA-N 2 1 313.283 3.959 10 0 DHAEMP CCC[N@H+](CC)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952862 183322058 /nfs/dbraw/zinc/32/20/58/183322058.db2.gz XYLYLHHARMESLN-CABCVRRESA-N 2 1 313.283 3.959 10 0 DHAEMP CCC[N@@H+](CC)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952862 183322060 /nfs/dbraw/zinc/32/20/60/183322060.db2.gz XYLYLHHARMESLN-CABCVRRESA-N 2 1 313.283 3.959 10 0 DHAEMP C[NH+](C)[C@H]1CCO[C@@]2(CC[N@@H+](Cc3cccc4ccccc43)C2)C1 ZINC000247998179 257112125 /nfs/dbraw/zinc/11/21/25/257112125.db2.gz NEIWPXCNNIFREW-FPOVZHCZSA-N 2 1 324.468 3.525 10 0 DHAEMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501770 332012745 /nfs/dbraw/zinc/01/27/45/332012745.db2.gz HINWQRAXGZNLBS-ZDUSSCGKSA-N 2 1 320.811 3.747 10 0 DHAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501770 332012746 /nfs/dbraw/zinc/01/27/46/332012746.db2.gz HINWQRAXGZNLBS-ZDUSSCGKSA-N 2 1 320.811 3.747 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCSCc1ccccc1 ZINC000192613452 336194666 /nfs/dbraw/zinc/19/46/66/336194666.db2.gz VJOAKDWXSHMLBP-GOSISDBHSA-N 2 1 315.486 3.589 10 0 DHAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCSCc1ccccc1 ZINC000192613452 336194667 /nfs/dbraw/zinc/19/46/67/336194667.db2.gz VJOAKDWXSHMLBP-GOSISDBHSA-N 2 1 315.486 3.589 10 0 DHAEMP CCC[N@@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301399863 336304321 /nfs/dbraw/zinc/30/43/21/336304321.db2.gz PLOFIQIWUSTYIT-UHFFFAOYSA-N 2 1 303.837 3.810 10 0 DHAEMP CCC[N@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301399863 336304322 /nfs/dbraw/zinc/30/43/22/336304322.db2.gz PLOFIQIWUSTYIT-UHFFFAOYSA-N 2 1 303.837 3.810 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124093 527441485 /nfs/dbraw/zinc/44/14/85/527441485.db2.gz KWWXDZRIUDGBNS-AWEZNQCLSA-N 2 1 307.800 3.649 10 0 DHAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(Cl)c1 ZINC000180124093 527441488 /nfs/dbraw/zinc/44/14/88/527441488.db2.gz KWWXDZRIUDGBNS-AWEZNQCLSA-N 2 1 307.800 3.649 10 0 DHAEMP CCC[NH+](CCC)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952088 183320406 /nfs/dbraw/zinc/32/04/06/183320406.db2.gz ZYZOVBFLMSKELB-DOMZBBRYSA-N 2 1 313.283 3.959 10 0 DHAEMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501583 332012838 /nfs/dbraw/zinc/01/28/38/332012838.db2.gz HINWQRAXGZNLBS-CYBMUJFWSA-N 2 1 320.811 3.747 10 0 DHAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000128501583 332012840 /nfs/dbraw/zinc/01/28/40/332012840.db2.gz HINWQRAXGZNLBS-CYBMUJFWSA-N 2 1 320.811 3.747 10 0 DHAEMP Cc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000193056078 336305045 /nfs/dbraw/zinc/30/50/45/336305045.db2.gz UVPMGORQZGMBOI-SEJPIABJSA-N 2 1 321.468 3.675 10 0 DHAEMP Cc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000193056078 336305046 /nfs/dbraw/zinc/30/50/46/336305046.db2.gz UVPMGORQZGMBOI-SEJPIABJSA-N 2 1 321.468 3.675 10 0 DHAEMP CCC[N@H+]1CCCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000301652282 336320877 /nfs/dbraw/zinc/32/08/77/336320877.db2.gz GRLCAHVVBVDFRS-UHFFFAOYSA-N 2 1 301.409 3.604 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)n1 ZINC000302102464 336348561 /nfs/dbraw/zinc/34/85/61/336348561.db2.gz QLTSDDLMAWCGRW-CRAIPNDOSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102464 336348562 /nfs/dbraw/zinc/34/85/62/336348562.db2.gz QLTSDDLMAWCGRW-CRAIPNDOSA-N 2 1 324.472 3.670 10 0 DHAEMP CCc1cc(NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(C)[nH+]1 ZINC000302102464 336348563 /nfs/dbraw/zinc/34/85/63/336348563.db2.gz QLTSDDLMAWCGRW-CRAIPNDOSA-N 2 1 324.472 3.670 10 0 DHAEMP CC(C)c1cnc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)s1 ZINC000183035652 337191119 /nfs/dbraw/zinc/19/11/19/337191119.db2.gz YUHWCZPERSCGEU-CQSZACIVSA-N 2 1 316.474 3.596 10 0 DHAEMP [NH3+][C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000021987909 182302333 /nfs/dbraw/zinc/30/23/33/182302333.db2.gz VMNVQAFUBOSJAI-JENIJYKNSA-N 2 1 304.453 3.598 10 0 DHAEMP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)C1CCCC1 ZINC000043020333 183328373 /nfs/dbraw/zinc/32/83/73/183328373.db2.gz LUUVWZFOCVTCHI-NHYWBVRUSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020333 183328374 /nfs/dbraw/zinc/32/83/74/183328374.db2.gz LUUVWZFOCVTCHI-NHYWBVRUSA-N 2 1 311.267 3.712 10 0 DHAEMP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000562960557 332652422 /nfs/dbraw/zinc/65/24/22/332652422.db2.gz PLHNIUJZZSCKCR-MJGOQNOKSA-N 2 1 324.468 3.743 10 0 DHAEMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@@H]1[NH+](C)C ZINC000301784870 336329674 /nfs/dbraw/zinc/32/96/74/336329674.db2.gz KRYZUMAQQZSCKQ-BZNIZROVSA-N 2 1 323.362 3.640 10 0 DHAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042843 337081452 /nfs/dbraw/zinc/08/14/52/337081452.db2.gz SNWYJDIOWNCCHG-INIZCTEOSA-N 2 1 303.837 3.818 10 0 DHAEMP C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226448287 523273519 /nfs/dbraw/zinc/27/35/19/523273519.db2.gz KYZRZEZESFIZNE-ZDUSSCGKSA-N 2 1 318.408 3.872 10 0 DHAEMP C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010435502 563649153 /nfs/dbraw/zinc/64/91/53/563649153.db2.gz RBOZMPRTUXKIMJ-UHFFFAOYSA-N 2 1 318.848 3.618 10 0 DHAEMP C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000090453069 185297263 /nfs/dbraw/zinc/29/72/63/185297263.db2.gz NRTHPNCOSYRNMN-XHDPSFHLSA-N 2 1 313.272 3.781 10 0 DHAEMP CCC(CC)[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953363 183322351 /nfs/dbraw/zinc/32/23/51/183322351.db2.gz NKDZSIBPRYOEBH-ABAIWWIYSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC(CC)[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042953363 183322353 /nfs/dbraw/zinc/32/23/53/183322353.db2.gz NKDZSIBPRYOEBH-ABAIWWIYSA-N 2 1 313.283 3.958 10 0 DHAEMP CCC[NH+](CCC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043019942 183328503 /nfs/dbraw/zinc/32/85/03/183328503.db2.gz MKSJAESILHQSSI-IUODEOHRSA-N 2 1 313.283 3.959 10 0 DHAEMP CC(C)[C@H](C)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020637 183330056 /nfs/dbraw/zinc/33/00/56/183330056.db2.gz NTQPJNSKHOARRQ-TYNCELHUSA-N 2 1 313.283 3.814 10 0 DHAEMP CC(C)[C@H](C)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020637 183330057 /nfs/dbraw/zinc/33/00/57/183330057.db2.gz NTQPJNSKHOARRQ-TYNCELHUSA-N 2 1 313.283 3.814 10 0 DHAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1Br)[C@H]([NH3+])CC ZINC000043093915 183336608 /nfs/dbraw/zinc/33/66/08/183336608.db2.gz FYLRLYZGQGXLEU-HIFRSBDPSA-N 2 1 322.250 3.535 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093770 183336827 /nfs/dbraw/zinc/33/68/27/183336827.db2.gz AHCQLALFAATMLS-SMDDNHRTSA-N 2 1 322.250 3.706 10 0 DHAEMP CC(C)c1[nH+]ccn1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093766 183336866 /nfs/dbraw/zinc/33/68/66/183336866.db2.gz AHCQLALFAATMLS-BXUZGUMPSA-N 2 1 322.250 3.706 10 0 DHAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000261773405 332272739 /nfs/dbraw/zinc/27/27/39/332272739.db2.gz SISRNPRUHGJUDR-CVEARBPZSA-N 2 1 318.823 3.653 10 0 DHAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1c1ccccc1 ZINC000261773405 332272741 /nfs/dbraw/zinc/27/27/41/332272741.db2.gz SISRNPRUHGJUDR-CVEARBPZSA-N 2 1 318.823 3.653 10 0 DHAEMP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127174 337171520 /nfs/dbraw/zinc/17/15/20/337171520.db2.gz QGMLYPGCHUQHIA-MRXNPFEDSA-N 2 1 309.413 3.911 10 0 DHAEMP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180127174 337171521 /nfs/dbraw/zinc/17/15/21/337171521.db2.gz QGMLYPGCHUQHIA-MRXNPFEDSA-N 2 1 309.413 3.911 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000248405158 341376810 /nfs/dbraw/zinc/37/68/10/341376810.db2.gz ANGFFOZOGBDJOQ-GZMOKQHVSA-N 2 1 321.468 3.643 10 0 DHAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccccn1 ZINC000248405158 341376811 /nfs/dbraw/zinc/37/68/11/341376811.db2.gz ANGFFOZOGBDJOQ-GZMOKQHVSA-N 2 1 321.468 3.643 10 0 DHAEMP Cc1cc(C)cc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190485202 524383636 /nfs/dbraw/zinc/38/36/36/524383636.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485202 524383644 /nfs/dbraw/zinc/38/36/44/524383644.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485202 524383650 /nfs/dbraw/zinc/38/36/50/524383650.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485202 524383657 /nfs/dbraw/zinc/38/36/57/524383657.db2.gz LTYIILRMKLTJPC-FQEVSTJZSA-N 2 1 323.484 3.652 10 0 DHAEMP