smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544970 1020974021 /nfs/dbraw/zinc/97/40/21/1020974021.db2.gz DEZNDDSABGEEMS-KRWDZBQOSA-N 2 1 315.436 3.976 50 0 DHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544970 1020974024 /nfs/dbraw/zinc/97/40/24/1020974024.db2.gz DEZNDDSABGEEMS-KRWDZBQOSA-N 2 1 315.436 3.976 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806052 1021846432 /nfs/dbraw/zinc/84/64/32/1021846432.db2.gz RIUYOTGTXUOMRM-HXUWFJFHSA-N 2 1 323.484 3.975 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806052 1021846448 /nfs/dbraw/zinc/84/64/48/1021846448.db2.gz RIUYOTGTXUOMRM-HXUWFJFHSA-N 2 1 323.484 3.975 50 0 DHAAMP FC(F)(F)CCC[NH2+][C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000023358507 182358806 /nfs/dbraw/zinc/35/88/06/182358806.db2.gz RGDMUEHPOQKTJY-OAHLLOKOSA-N 2 1 306.416 3.963 50 0 DHAAMP FC(F)(F)CCC[NH2+][C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000023358507 182358807 /nfs/dbraw/zinc/35/88/07/182358807.db2.gz RGDMUEHPOQKTJY-OAHLLOKOSA-N 2 1 306.416 3.963 50 0 DHAAMP c1ccc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000039445530 183018010 /nfs/dbraw/zinc/01/80/10/183018010.db2.gz QLGKMRJREGAVDK-OAQYLSRUSA-N 2 1 312.501 3.817 50 0 DHAAMP c1ccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000039445530 183018013 /nfs/dbraw/zinc/01/80/13/183018013.db2.gz QLGKMRJREGAVDK-OAQYLSRUSA-N 2 1 312.501 3.817 50 0 DHAAMP c1ccc(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000039445530 183018014 /nfs/dbraw/zinc/01/80/14/183018014.db2.gz QLGKMRJREGAVDK-OAQYLSRUSA-N 2 1 312.501 3.817 50 0 DHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000065435440 184344592 /nfs/dbraw/zinc/34/45/92/184344592.db2.gz VIAFHZNNXXEKBF-FQEVSTJZSA-N 2 1 317.436 3.828 50 0 DHAAMP C[C@@H](c1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1)[NH+](C)C ZINC000215619309 563706155 /nfs/dbraw/zinc/70/61/55/563706155.db2.gz IHJZNJZQNVXHHK-INIZCTEOSA-N 2 1 309.457 3.869 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252517695 563916874 /nfs/dbraw/zinc/91/68/74/563916874.db2.gz OTWPDRCIRATEGQ-BQFCYCMXSA-N 2 1 312.457 3.649 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252517695 563916875 /nfs/dbraw/zinc/91/68/75/563916875.db2.gz OTWPDRCIRATEGQ-BQFCYCMXSA-N 2 1 312.457 3.649 50 0 DHAAMP C[C@H]1CSc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000095427077 563931670 /nfs/dbraw/zinc/93/16/70/563931670.db2.gz ZHTRDQRXRWNSCC-UGSOOPFHSA-N 2 1 302.487 3.686 50 0 DHAAMP CCC[N@@H+](Cc1ccn(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000097095615 568413543 /nfs/dbraw/zinc/41/35/43/568413543.db2.gz QJFKJURRIVVFFG-UHFFFAOYSA-N 2 1 311.473 3.500 50 0 DHAAMP CC(C)(C)C[N@@H+]1CC[C@H](C2CC[NH+](Cc3nccs3)CC2)C1 ZINC000012459469 1019948537 /nfs/dbraw/zinc/94/85/37/1019948537.db2.gz YPLOIUQPISUWDV-INIZCTEOSA-N 2 1 321.534 3.723 50 0 DHAAMP CC(C)(C)C[N@H+]1CC[C@H](C2CC[NH+](Cc3nccs3)CC2)C1 ZINC000012459469 1019948543 /nfs/dbraw/zinc/94/85/43/1019948543.db2.gz YPLOIUQPISUWDV-INIZCTEOSA-N 2 1 321.534 3.723 50 0 DHAAMP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000222241381 1037859321 /nfs/dbraw/zinc/85/93/21/1037859321.db2.gz JOLRAJSQTZKBJR-FHWLQOOXSA-N 2 1 312.482 3.748 50 0 DHAAMP C[N@H+](Cc1cccc(-c2cccnc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253589 193181501 /nfs/dbraw/zinc/18/15/01/193181501.db2.gz BNEJJYMXHZJXPJ-GOSISDBHSA-N 2 1 309.457 3.522 50 0 DHAAMP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253589 193181502 /nfs/dbraw/zinc/18/15/02/193181502.db2.gz BNEJJYMXHZJXPJ-GOSISDBHSA-N 2 1 309.457 3.522 50 0 DHAAMP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253589 193181503 /nfs/dbraw/zinc/18/15/03/193181503.db2.gz BNEJJYMXHZJXPJ-GOSISDBHSA-N 2 1 309.457 3.522 50 0 DHAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534658842 334314874 /nfs/dbraw/zinc/31/48/74/334314874.db2.gz UVOYORBBXIAMCV-CYBMUJFWSA-N 2 1 303.837 3.766 50 0 DHAAMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000085210643 563520345 /nfs/dbraw/zinc/52/03/45/563520345.db2.gz WPXWNSDBRUCWKS-UHFFFAOYSA-N 2 1 306.453 3.785 50 0 DHAAMP FC(F)Oc1ccccc1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000097259289 563538768 /nfs/dbraw/zinc/53/87/68/563538768.db2.gz PFCCZZCBJFTWGT-UHFFFAOYSA-N 2 1 324.415 3.644 50 0 DHAAMP CCc1ccc([C@@H](C)[NH2+]CC2=CSC3=NCCCN23)cc1 ZINC000101083840 563649873 /nfs/dbraw/zinc/64/98/73/563649873.db2.gz NVNKEWRFKHGBQM-CYBMUJFWSA-N 2 1 301.459 3.550 50 0 DHAAMP Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CC[N@@H+](C)C1 ZINC000008144259 563889532 /nfs/dbraw/zinc/88/95/32/563889532.db2.gz JNODQFNWMXFMEV-UHFFFAOYSA-N 2 1 319.452 3.884 50 0 investigational DHAAMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000095423164 563931565 /nfs/dbraw/zinc/93/15/65/563931565.db2.gz KQFMKISPPPKERI-ZDUSSCGKSA-N 2 1 314.458 3.932 50 0 DHAAMP C[N@H+](Cc1ccccc1)C1CC[NH+](CC[C@@H]2CC2(F)F)CC1 ZINC000670437777 563943502 /nfs/dbraw/zinc/94/35/02/563943502.db2.gz JFQRCKAMIKPUCV-MRXNPFEDSA-N 2 1 308.416 3.628 50 0 DHAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC[C@@H]2CC2(F)F)CC1 ZINC000670437777 563943504 /nfs/dbraw/zinc/94/35/04/563943504.db2.gz JFQRCKAMIKPUCV-MRXNPFEDSA-N 2 1 308.416 3.628 50 0 DHAAMP CC[N@H+](Cc1ccc(-c2ccccn2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000952973919 1032674744 /nfs/dbraw/zinc/67/47/44/1032674744.db2.gz YWRLRDQAKOIOQR-GOSISDBHSA-N 2 1 309.457 3.522 50 0 DHAAMP CCCc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)o1 ZINC000952969634 1032676567 /nfs/dbraw/zinc/67/65/67/1032676567.db2.gz OLUHMUJARGFMBI-UHFFFAOYSA-N 2 1 313.445 3.648 50 0 DHAAMP CC(C)C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012314113 1020054429 /nfs/dbraw/zinc/05/44/29/1020054429.db2.gz SRJAZASKSMMDBZ-GOSISDBHSA-N 2 1 306.469 3.668 50 0 DHAAMP CC(C)C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012314113 1020054440 /nfs/dbraw/zinc/05/44/40/1020054440.db2.gz SRJAZASKSMMDBZ-GOSISDBHSA-N 2 1 306.469 3.668 50 0 DHAAMP CC(C)C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012314113 1020054455 /nfs/dbraw/zinc/05/44/55/1020054455.db2.gz SRJAZASKSMMDBZ-GOSISDBHSA-N 2 1 306.469 3.668 50 0 DHAAMP Clc1oc2ccccc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262048340 1037231234 /nfs/dbraw/zinc/23/12/34/1037231234.db2.gz PYVLYFZPEWBVNU-UHFFFAOYSA-N 2 1 304.821 3.662 50 0 DHAAMP C[N@H+](Cc1cccc(-c2cccnc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253588 193181430 /nfs/dbraw/zinc/18/14/30/193181430.db2.gz BNEJJYMXHZJXPJ-SFHVURJKSA-N 2 1 309.457 3.522 50 0 DHAAMP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253588 193181431 /nfs/dbraw/zinc/18/14/31/193181431.db2.gz BNEJJYMXHZJXPJ-SFHVURJKSA-N 2 1 309.457 3.522 50 0 DHAAMP C[NH+](Cc1cccc(-c2cccnc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253588 193181433 /nfs/dbraw/zinc/18/14/33/193181433.db2.gz BNEJJYMXHZJXPJ-SFHVURJKSA-N 2 1 309.457 3.522 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534584140 334288352 /nfs/dbraw/zinc/28/83/52/334288352.db2.gz IUAVJPCGBBVLTK-CYBMUJFWSA-N 2 1 303.837 3.902 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]C1(c2ccccc2Cl)CC1 ZINC000534584141 334288399 /nfs/dbraw/zinc/28/83/99/334288399.db2.gz IUAVJPCGBBVLTK-ZDUSSCGKSA-N 2 1 303.837 3.902 50 0 DHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]CC[C@@H](C)CCCC(C)(C)O ZINC000032508990 563442794 /nfs/dbraw/zinc/44/27/94/563442794.db2.gz ZAQKVFKBJUGSBP-KRWDZBQOSA-N 2 1 323.525 3.954 50 0 DHAAMP C[N@H+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055168336 563471967 /nfs/dbraw/zinc/47/19/67/563471967.db2.gz MMFPIYZHFWKFHS-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[NH+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055168336 563471968 /nfs/dbraw/zinc/47/19/68/563471968.db2.gz MMFPIYZHFWKFHS-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[NH+](Cc1cnc2ccccc2c1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055168336 563471969 /nfs/dbraw/zinc/47/19/69/563471969.db2.gz MMFPIYZHFWKFHS-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414926 563481120 /nfs/dbraw/zinc/48/11/20/563481120.db2.gz ZIVXBPAXOUVBBE-NQIIRXRSSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000096414926 563481124 /nfs/dbraw/zinc/48/11/24/563481124.db2.gz ZIVXBPAXOUVBBE-NQIIRXRSSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414926 563481128 /nfs/dbraw/zinc/48/11/28/563481128.db2.gz ZIVXBPAXOUVBBE-NQIIRXRSSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414926 563481131 /nfs/dbraw/zinc/48/11/31/563481131.db2.gz ZIVXBPAXOUVBBE-NQIIRXRSSA-N 2 1 323.484 3.609 50 0 DHAAMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000000279560 563629181 /nfs/dbraw/zinc/62/91/81/563629181.db2.gz RUSSTLDACLHLKG-UHFFFAOYSA-N 2 1 300.368 3.669 50 0 DHAAMP Cc1cc(C[NH+]2CCC(c3nc4cccc(C)c4[nH]3)CC2)on1 ZINC000215433464 563705370 /nfs/dbraw/zinc/70/53/70/563705370.db2.gz FNJHBBFEWZLZLU-UHFFFAOYSA-N 2 1 310.401 3.547 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1[C@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000575545582 1020973562 /nfs/dbraw/zinc/97/35/62/1020973562.db2.gz IGLHJTUPSOIQMC-SFHVURJKSA-N 2 1 310.445 3.609 50 0 DHAAMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCCCC3)CC2)cc1 ZINC000002498864 1037165780 /nfs/dbraw/zinc/16/57/80/1037165780.db2.gz QYISFDORTXWWAR-UHFFFAOYSA-N 2 1 300.490 3.863 50 0 DHAAMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000222241328 1037859029 /nfs/dbraw/zinc/85/90/29/1037859029.db2.gz JOLRAJSQTZKBJR-GBESFXJTSA-N 2 1 312.482 3.748 50 0 DHAAMP CC(C)CC[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169748993 1040859675 /nfs/dbraw/zinc/85/96/75/1040859675.db2.gz WQLBRRJGOJLXDE-FQEVSTJZSA-N 2 1 315.505 3.662 50 0 DHAAMP c1ccc(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)cc1 ZINC000039445531 183018593 /nfs/dbraw/zinc/01/85/93/183018593.db2.gz QLGKMRJREGAVDK-NRFANRHFSA-N 2 1 312.501 3.817 50 0 DHAAMP c1ccc(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000039445531 183018595 /nfs/dbraw/zinc/01/85/95/183018595.db2.gz QLGKMRJREGAVDK-NRFANRHFSA-N 2 1 312.501 3.817 50 0 DHAAMP c1ccc(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000039445531 183018596 /nfs/dbraw/zinc/01/85/96/183018596.db2.gz QLGKMRJREGAVDK-NRFANRHFSA-N 2 1 312.501 3.817 50 0 DHAAMP CCc1ccc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000001165967 563278453 /nfs/dbraw/zinc/27/84/53/563278453.db2.gz MPYLBXSXBZIWMR-QGZVFWFLSA-N 2 1 300.490 3.945 50 0 DHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 ZINC000012589538 563371269 /nfs/dbraw/zinc/37/12/69/563371269.db2.gz XXJJSQCLYAONFQ-SFHVURJKSA-N 2 1 319.468 3.576 50 0 DHAAMP CCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000280174 563629424 /nfs/dbraw/zinc/62/94/24/563629424.db2.gz PJDQSUZKXOXSGE-UHFFFAOYSA-N 2 1 301.261 3.957 50 0 DHAAMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCS2 ZINC000252513343 563916629 /nfs/dbraw/zinc/91/66/29/563916629.db2.gz YNYXFUJWEBREGC-YQQAZPJKSA-N 2 1 302.487 3.748 50 0 DHAAMP C[C@@H]1CSc2ccccc2[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000095427076 563931532 /nfs/dbraw/zinc/93/15/32/563931532.db2.gz ZHTRDQRXRWNSCC-ACJLOTCBSA-N 2 1 302.487 3.686 50 0 DHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441739 563943963 /nfs/dbraw/zinc/94/39/63/563943963.db2.gz USTFTSGLZTWKRD-KRWDZBQOSA-N 2 1 322.456 3.628 50 0 DHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441739 563943964 /nfs/dbraw/zinc/94/39/64/563943964.db2.gz USTFTSGLZTWKRD-KRWDZBQOSA-N 2 1 322.456 3.628 50 0 DHAAMP CC[C@H]1C=CC[N@H+]1Cc1cccc(OCCCn2ccnc2)c1 ZINC000952962560 1032671355 /nfs/dbraw/zinc/67/13/55/1032671355.db2.gz GFTPNIXEIYDFSZ-SFHVURJKSA-N 2 1 311.429 3.503 50 0 DHAAMP c1[nH]c2ccccc2c1CC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000142539427 1019323040 /nfs/dbraw/zinc/32/30/40/1019323040.db2.gz ITWYTOJFZGPNNN-FXAWDEMLSA-N 2 1 311.473 3.565 50 0 DHAAMP Cc1[nH+]cn(CC[NH2+][C@H](C)CCSc2ccc(F)cc2)c1C ZINC000821164266 1020240573 /nfs/dbraw/zinc/24/05/73/1020240573.db2.gz KLVLCEZSWXERHB-CYBMUJFWSA-N 2 1 321.465 3.800 50 0 DHAAMP Cc1ccc(C[NH+]2CCC(C[N@H+](C)C3CCSCC3)CC2)o1 ZINC000012303258 1020449245 /nfs/dbraw/zinc/44/92/45/1020449245.db2.gz JOUFFXSJPMVEBZ-UHFFFAOYSA-N 2 1 322.518 3.627 50 0 DHAAMP Cc1cnc(C2CC2)n1C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581813815 1021856229 /nfs/dbraw/zinc/85/62/29/1021856229.db2.gz IEASLBHXBIOERB-MRXNPFEDSA-N 2 1 313.420 3.730 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000581813815 1021856243 /nfs/dbraw/zinc/85/62/43/1021856243.db2.gz IEASLBHXBIOERB-MRXNPFEDSA-N 2 1 313.420 3.730 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581813815 1021856258 /nfs/dbraw/zinc/85/62/58/1021856258.db2.gz IEASLBHXBIOERB-MRXNPFEDSA-N 2 1 313.420 3.730 50 0 DHAAMP CC(C)[NH2+]CCCn1c(C(C)(C)C)cn2c3ccccc3[nH+]c21 ZINC000004859449 181164290 /nfs/dbraw/zinc/16/42/90/181164290.db2.gz MRDZYMXINCJIEB-UHFFFAOYSA-N 2 1 312.461 3.975 50 0 DHAAMP C[NH+]1CCC(C[N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000039466140 183019735 /nfs/dbraw/zinc/01/97/35/183019735.db2.gz AINUCVHKJWBLJP-UHFFFAOYSA-N 2 1 300.490 3.816 50 0 DHAAMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC000157956121 197230549 /nfs/dbraw/zinc/23/05/49/197230549.db2.gz REPOTKGBSUAJIM-HNNXBMFYSA-N 2 1 310.507 3.597 50 0 DHAAMP COc1ccccc1[C@H](CC[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000013684581 563469164 /nfs/dbraw/zinc/46/91/64/563469164.db2.gz FOSREHFWSIFXJJ-QGZVFWFLSA-N 2 1 304.478 3.509 50 0 DHAAMP Cc1nccn1-c1ccc(CNCc2ccccc2Cl)cn1 ZINC000048782241 563699884 /nfs/dbraw/zinc/69/98/84/563699884.db2.gz XBWBAKOMFZVRBD-UHFFFAOYSA-N 2 1 312.804 3.519 50 0 DHAAMP c1ccc2c(c1)SCCC[C@@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000089857774 563911621 /nfs/dbraw/zinc/91/16/21/563911621.db2.gz TYGHMEATAXXEOX-KRWDZBQOSA-N 2 1 302.487 3.830 50 0 DHAAMP CS[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096478665 563937461 /nfs/dbraw/zinc/93/74/61/563937461.db2.gz HQJSCWFTKZSBSR-QZTJIDSGSA-N 2 1 304.503 3.525 50 0 DHAAMP CC1(C)C[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCCC2)CCO1 ZINC000952860704 1032664231 /nfs/dbraw/zinc/66/42/31/1032664231.db2.gz SGJYEYNVDTXLMX-KRWDZBQOSA-N 2 1 308.510 3.580 50 0 DHAAMP C/C=C(\C)C[N@@H+](C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000011838358 1019293432 /nfs/dbraw/zinc/29/34/32/1019293432.db2.gz QTBFUVMIIAIRDQ-HAVNEIBRSA-N 2 1 318.480 3.978 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544973 1020973369 /nfs/dbraw/zinc/97/33/69/1020973369.db2.gz DEZNDDSABGEEMS-QGZVFWFLSA-N 2 1 315.436 3.976 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575544973 1020973374 /nfs/dbraw/zinc/97/33/74/1020973374.db2.gz DEZNDDSABGEEMS-QGZVFWFLSA-N 2 1 315.436 3.976 50 0 DHAAMP CCC(CC)C[N@@H+]1CC[C@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575548000 1020975663 /nfs/dbraw/zinc/97/56/63/1020975663.db2.gz DZMNOUBNEDUIRJ-SFHVURJKSA-N 2 1 319.493 3.769 50 0 DHAAMP CCC(CC)C[N@H+]1CC[C@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575548000 1020975668 /nfs/dbraw/zinc/97/56/68/1020975668.db2.gz DZMNOUBNEDUIRJ-SFHVURJKSA-N 2 1 319.493 3.769 50 0 DHAAMP CC(C)[NH+]1CCC2(CC1)C[N@H+](C1CCC1)Cc1ccccc1O2 ZINC000257187459 1022239469 /nfs/dbraw/zinc/23/94/69/1022239469.db2.gz LSKXGHKMOCTTGE-UHFFFAOYSA-N 2 1 314.473 3.677 50 0 DHAAMP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000020477321 182221693 /nfs/dbraw/zinc/22/16/93/182221693.db2.gz UXKOOHSBYAUXEY-UHFFFAOYSA-N 2 1 300.471 3.811 50 0 DHAAMP C[N@@H+](Cc1ccccc1C[NH+]1CCCC1)C1CCSCC1 ZINC000065526013 184359884 /nfs/dbraw/zinc/35/98/84/184359884.db2.gz NEXBPOIJQCJQLF-UHFFFAOYSA-N 2 1 304.503 3.610 50 0 DHAAMP CCc1ccc(CN2CCC([N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000001165969 563278579 /nfs/dbraw/zinc/27/85/79/563278579.db2.gz MPYLBXSXBZIWMR-KRWDZBQOSA-N 2 1 300.490 3.945 50 0 DHAAMP C[N@@H+](Cc1ccc(C[NH+]2CCCC2)s1)C1CCSCC1 ZINC000097716911 563542002 /nfs/dbraw/zinc/54/20/02/563542002.db2.gz FIYWUQADSJUDNJ-UHFFFAOYSA-N 2 1 310.532 3.671 50 0 DHAAMP C[C@H](c1cccnc1)[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552477 563706549 /nfs/dbraw/zinc/70/65/49/563706549.db2.gz NVDFIYJIRDLZMB-OAHLLOKOSA-N 2 1 315.486 3.932 50 0 DHAAMP C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552477 563706551 /nfs/dbraw/zinc/70/65/51/563706551.db2.gz NVDFIYJIRDLZMB-OAHLLOKOSA-N 2 1 315.486 3.932 50 0 DHAAMP Fc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000216212770 563708342 /nfs/dbraw/zinc/70/83/42/563708342.db2.gz NTQJPSOWWGMTJL-UHFFFAOYSA-N 2 1 310.844 3.787 50 0 DHAAMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)o1 ZINC000825197815 1020631854 /nfs/dbraw/zinc/63/18/54/1020631854.db2.gz IGJGDNMFYDAYRD-FQEVSTJZSA-N 2 1 310.441 3.831 50 0 DHAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581805954 1021848070 /nfs/dbraw/zinc/84/80/70/1021848070.db2.gz IYEBAOMJQFPACK-IBGZPJMESA-N 2 1 311.473 3.975 50 0 DHAAMP CCCn1c(C)c[nH+]c1C[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581805954 1021848084 /nfs/dbraw/zinc/84/80/84/1021848084.db2.gz IYEBAOMJQFPACK-IBGZPJMESA-N 2 1 311.473 3.975 50 0 DHAAMP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)[C@H]1CCOC(C)(C)C1 ZINC000215805953 1024524475 /nfs/dbraw/zinc/52/44/75/1024524475.db2.gz QEJALCPRPWVVPP-INIZCTEOSA-N 2 1 322.518 3.733 50 0 DHAAMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182097572 199386690 /nfs/dbraw/zinc/38/66/90/199386690.db2.gz GLQLVOPPHCCPQJ-QGZVFWFLSA-N 2 1 317.408 3.614 50 0 DHAAMP Fc1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000097551461 563540008 /nfs/dbraw/zinc/54/00/08/563540008.db2.gz ZBQAYPLKBHMHQR-UHFFFAOYSA-N 2 1 310.844 3.835 50 0 DHAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cc3ccsc3)CC2)[nH+]1 ZINC000095422607 563931417 /nfs/dbraw/zinc/93/14/17/563931417.db2.gz SMAOTQLODVHPAH-HNNXBMFYSA-N 2 1 315.486 3.641 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000096476610 563937282 /nfs/dbraw/zinc/93/72/82/563937282.db2.gz YWNSPUQHHJOWJP-CRAIPNDOSA-N 2 1 312.457 3.507 50 0 DHAAMP C[C@@H](NCc1ccc(Cl)cn1)c1cccc(-n2ccnc2)c1 ZINC000225547901 563938052 /nfs/dbraw/zinc/93/80/52/563938052.db2.gz DOTAZFWKZWLLEV-CYBMUJFWSA-N 2 1 312.804 3.772 50 0 DHAAMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C[NH2+]C1CC[NH+](C)CC1 ZINC000022077838 1013706717 /nfs/dbraw/zinc/70/67/17/1013706717.db2.gz XTSWVUOIBDKVOJ-HNNXBMFYSA-N 2 1 311.473 3.580 50 0 DHAAMP CC1(C)C[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCCC2)CCO1 ZINC000952860705 1032666087 /nfs/dbraw/zinc/66/60/87/1032666087.db2.gz SGJYEYNVDTXLMX-QGZVFWFLSA-N 2 1 308.510 3.580 50 0 DHAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759870 191026445 /nfs/dbraw/zinc/02/64/45/191026445.db2.gz JVKARXORRLXDAK-QGZVFWFLSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+]1CCC([N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759870 191026448 /nfs/dbraw/zinc/02/64/48/191026448.db2.gz JVKARXORRLXDAK-QGZVFWFLSA-N 2 1 304.453 3.565 50 0 DHAAMP Cc1cc(N2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)cc[nH+]1 ZINC000072149967 191055728 /nfs/dbraw/zinc/05/57/28/191055728.db2.gz YXGMVZRXESSKMR-UHFFFAOYSA-N 2 1 320.440 3.584 50 0 DHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284950481 131125191 /nfs/dbraw/zinc/12/51/91/131125191.db2.gz JBNYXUUGYQFKQL-GOSISDBHSA-N 2 1 322.412 3.511 50 0 DHAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284950481 131125193 /nfs/dbraw/zinc/12/51/93/131125193.db2.gz JBNYXUUGYQFKQL-GOSISDBHSA-N 2 1 322.412 3.511 50 0 DHAAMP C[C@@H]1C[C@H](C)C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000001229434 563280117 /nfs/dbraw/zinc/28/01/17/563280117.db2.gz ZYDIJYHBHFHSQJ-HDICACEKSA-N 2 1 300.490 3.671 50 0 DHAAMP C[C@@H]1C[C@H](C)C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000001229434 563280120 /nfs/dbraw/zinc/28/01/20/563280120.db2.gz ZYDIJYHBHFHSQJ-HDICACEKSA-N 2 1 300.490 3.671 50 0 DHAAMP CC(C)=CC[N@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012298173 563365414 /nfs/dbraw/zinc/36/54/14/563365414.db2.gz KCWIMVLJIFIBGT-UHFFFAOYSA-N 2 1 318.480 3.978 50 0 DHAAMP CCCCc1nc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c[nH]1 ZINC000072435822 563503342 /nfs/dbraw/zinc/50/33/42/563503342.db2.gz HJWFSOGZSDZKLG-CQSZACIVSA-N 2 1 301.409 3.881 50 0 DHAAMP CCCCc1nc(CN2CC[C@@H](c3ccccc3F)C2)c[nH]1 ZINC000072435822 563503345 /nfs/dbraw/zinc/50/33/45/563503345.db2.gz HJWFSOGZSDZKLG-CQSZACIVSA-N 2 1 301.409 3.881 50 0 DHAAMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249400764 563609450 /nfs/dbraw/zinc/60/94/50/563609450.db2.gz UXPVCZLLUGMTLH-MRVWCRGKSA-N 2 1 303.372 3.538 50 0 DHAAMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897264 563776769 /nfs/dbraw/zinc/77/67/69/563776769.db2.gz IRPLYMXOSLDCKE-RSPOEFSDSA-N 2 1 321.468 3.928 50 0 DHAAMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897264 563776772 /nfs/dbraw/zinc/77/67/72/563776772.db2.gz IRPLYMXOSLDCKE-RSPOEFSDSA-N 2 1 321.468 3.928 50 0 DHAAMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCS2 ZINC000252513342 563916653 /nfs/dbraw/zinc/91/66/53/563916653.db2.gz YNYXFUJWEBREGC-HLLBOEOZSA-N 2 1 302.487 3.748 50 0 DHAAMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960606 563948234 /nfs/dbraw/zinc/94/82/34/563948234.db2.gz BZPJZABACCAUGE-OAHLLOKOSA-N 2 1 322.497 3.698 50 0 DHAAMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960606 563948235 /nfs/dbraw/zinc/94/82/35/563948235.db2.gz BZPJZABACCAUGE-OAHLLOKOSA-N 2 1 322.497 3.698 50 0 DHAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960606 563948237 /nfs/dbraw/zinc/94/82/37/563948237.db2.gz BZPJZABACCAUGE-OAHLLOKOSA-N 2 1 322.497 3.698 50 0 DHAAMP Cc1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)o1 ZINC000825197816 1020631500 /nfs/dbraw/zinc/63/15/00/1020631500.db2.gz IGJGDNMFYDAYRD-HXUWFJFHSA-N 2 1 310.441 3.831 50 0 DHAAMP COc1cccc(C[N@@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575550324 1020975497 /nfs/dbraw/zinc/97/54/97/1020975497.db2.gz VGIJVUYYDRNWNQ-QGZVFWFLSA-N 2 1 311.429 3.525 50 0 DHAAMP COc1cccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575550324 1020975502 /nfs/dbraw/zinc/97/55/02/1020975502.db2.gz VGIJVUYYDRNWNQ-QGZVFWFLSA-N 2 1 311.429 3.525 50 0 DHAAMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)[nH+]c1 ZINC000096478328 563484336 /nfs/dbraw/zinc/48/43/36/563484336.db2.gz KCMUZVDLNXHTSJ-AWEZNQCLSA-N 2 1 301.459 3.771 50 0 DHAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000082087693 563518688 /nfs/dbraw/zinc/51/86/88/563518688.db2.gz ZEEOEGLKUISJFY-HNNXBMFYSA-N 2 1 306.413 3.661 50 0 DHAAMP CCC[NH+]1CCC([NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000000759119 563632079 /nfs/dbraw/zinc/63/20/79/563632079.db2.gz MCUNYKDQCKWPKW-UHFFFAOYSA-N 2 1 300.368 3.669 50 0 DHAAMP C[C@H](c1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1)[NH+](C)C ZINC000215619357 563706527 /nfs/dbraw/zinc/70/65/27/563706527.db2.gz IHJZNJZQNVXHHK-MRXNPFEDSA-N 2 1 309.457 3.869 50 0 DHAAMP CC[N@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@H]1CCCO1 ZINC000230563672 563773541 /nfs/dbraw/zinc/77/35/41/563773541.db2.gz FDCKORKLUALIKT-QGZVFWFLSA-N 2 1 322.518 3.735 50 0 DHAAMP COc1ccc([C@@H](C)[NH2+]Cc2ccco2)cc1C[NH+]1CCCC1 ZINC000089904659 563912198 /nfs/dbraw/zinc/91/21/98/563912198.db2.gz RMAGTMVYKSHROA-OAHLLOKOSA-N 2 1 314.429 3.735 50 0 DHAAMP C[N@H+](Cc1ccccc1)C1CC[NH+](CC[C@H]2CC2(F)F)CC1 ZINC000670437776 563943437 /nfs/dbraw/zinc/94/34/37/563943437.db2.gz JFQRCKAMIKPUCV-INIZCTEOSA-N 2 1 308.416 3.628 50 0 DHAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CC[C@H]2CC2(F)F)CC1 ZINC000670437776 563943438 /nfs/dbraw/zinc/94/34/38/563943438.db2.gz JFQRCKAMIKPUCV-INIZCTEOSA-N 2 1 308.416 3.628 50 0 DHAAMP C[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002498492 1021106867 /nfs/dbraw/zinc/10/68/67/1021106867.db2.gz SGQHRGPXIXKVER-YLJYHZDGSA-N 2 1 300.490 3.862 50 0 DHAAMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@H]1CCCCO1 ZINC000214959110 1024519501 /nfs/dbraw/zinc/51/95/01/1024519501.db2.gz MYHSYYYNEPCYMD-MRXNPFEDSA-N 2 1 322.518 3.735 50 0 DHAAMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000182097592 199386676 /nfs/dbraw/zinc/38/66/76/199386676.db2.gz GLQLVOPPHCCPQJ-KRWDZBQOSA-N 2 1 317.408 3.614 50 0 DHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284950486 131125235 /nfs/dbraw/zinc/12/52/35/131125235.db2.gz JBNYXUUGYQFKQL-SFHVURJKSA-N 2 1 322.412 3.511 50 0 DHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000284950486 131125237 /nfs/dbraw/zinc/12/52/37/131125237.db2.gz JBNYXUUGYQFKQL-SFHVURJKSA-N 2 1 322.412 3.511 50 0 DHAAMP CCC[NH+]1CCC([N@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000757235 563271757 /nfs/dbraw/zinc/27/17/57/563271757.db2.gz RRIKHTKNEXBMNL-UHFFFAOYSA-N 2 1 302.437 3.789 50 0 DHAAMP CCC[NH+]1CCC([N@@H+]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000000757235 563271760 /nfs/dbraw/zinc/27/17/60/563271760.db2.gz RRIKHTKNEXBMNL-UHFFFAOYSA-N 2 1 302.437 3.789 50 0 DHAAMP Cc1cccc(CN2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734818 563340630 /nfs/dbraw/zinc/34/06/30/563340630.db2.gz IKWJPDFXHXSQPP-HDICACEKSA-N 2 1 300.490 3.937 50 0 DHAAMP Cc1cccc(C[NH+]2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734818 563340634 /nfs/dbraw/zinc/34/06/34/563340634.db2.gz IKWJPDFXHXSQPP-HDICACEKSA-N 2 1 300.490 3.937 50 0 DHAAMP Cc1cccc(C[NH+]2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734818 563340637 /nfs/dbraw/zinc/34/06/37/563340637.db2.gz IKWJPDFXHXSQPP-HDICACEKSA-N 2 1 300.490 3.937 50 0 DHAAMP Cc1cccc(C[NH+]2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000002734819 563340712 /nfs/dbraw/zinc/34/07/12/563340712.db2.gz IKWJPDFXHXSQPP-ROUUACIJSA-N 2 1 300.490 3.937 50 0 DHAAMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000002498528 563448970 /nfs/dbraw/zinc/44/89/70/563448970.db2.gz HNKFXVGCCISYNN-QFIPXVFZSA-N 2 1 320.480 3.798 50 0 DHAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000090472865 563524926 /nfs/dbraw/zinc/52/49/26/563524926.db2.gz AHLUVPWYZNOHQB-UHFFFAOYSA-N 2 1 303.837 3.757 50 0 DHAAMP c1ccc2c(c1)SCCC[C@H]2[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000089857773 563911731 /nfs/dbraw/zinc/91/17/31/563911731.db2.gz TYGHMEATAXXEOX-QGZVFWFLSA-N 2 1 302.487 3.830 50 0 DHAAMP COc1ccc([C@H](C)[NH2+]Cc2ccco2)cc1C[NH+]1CCCC1 ZINC000089904658 563912177 /nfs/dbraw/zinc/91/21/77/563912177.db2.gz RMAGTMVYKSHROA-HNNXBMFYSA-N 2 1 314.429 3.735 50 0 DHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000215984274 1024528584 /nfs/dbraw/zinc/52/85/84/1024528584.db2.gz AFRSHLGMSRCEFT-UHFFFAOYSA-N 2 1 311.351 3.504 50 0 DHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000215984274 1024528596 /nfs/dbraw/zinc/52/85/96/1024528596.db2.gz AFRSHLGMSRCEFT-UHFFFAOYSA-N 2 1 311.351 3.504 50 0 DHAAMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420536 185360274 /nfs/dbraw/zinc/36/02/74/185360274.db2.gz FPTSUFUMLOAPIM-QGZVFWFLSA-N 2 1 311.429 3.618 50 0 DHAAMP CC(C)[N@H+]1CCC[C@H](CN(C)Cc2ccc(O)cc2Cl)C1 ZINC000072168364 191066143 /nfs/dbraw/zinc/06/61/43/191066143.db2.gz SPVSMMAJDOUOCA-CQSZACIVSA-N 2 1 310.869 3.598 50 0 DHAAMP CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2ccc(O)cc2Cl)C1 ZINC000072168365 191067175 /nfs/dbraw/zinc/06/71/75/191067175.db2.gz SPVSMMAJDOUOCA-AWEZNQCLSA-N 2 1 310.869 3.598 50 0 DHAAMP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072168618 191068352 /nfs/dbraw/zinc/06/83/52/191068352.db2.gz CODKUZXTCOSLIY-SFHVURJKSA-N 2 1 304.478 3.735 50 0 DHAAMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000072168618 191068355 /nfs/dbraw/zinc/06/83/55/191068355.db2.gz CODKUZXTCOSLIY-SFHVURJKSA-N 2 1 304.478 3.735 50 0 DHAAMP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072168619 191068799 /nfs/dbraw/zinc/06/87/99/191068799.db2.gz CODKUZXTCOSLIY-GOSISDBHSA-N 2 1 304.478 3.735 50 0 DHAAMP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000072168619 191068800 /nfs/dbraw/zinc/06/88/00/191068800.db2.gz CODKUZXTCOSLIY-GOSISDBHSA-N 2 1 304.478 3.735 50 0 DHAAMP c1ccc(COC(C[NH+]2CCCCC2)C[NH+]2CCCCC2)cc1 ZINC000004832887 181158638 /nfs/dbraw/zinc/15/86/38/181158638.db2.gz RRXQYXZOUWQYKR-UHFFFAOYSA-N 2 1 316.489 3.544 50 0 DHAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000065435439 184345023 /nfs/dbraw/zinc/34/50/23/184345023.db2.gz VIAFHZNNXXEKBF-HXUWFJFHSA-N 2 1 317.436 3.828 50 0 DHAAMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)[nH+]c1 ZINC000096478331 563484628 /nfs/dbraw/zinc/48/46/28/563484628.db2.gz KCMUZVDLNXHTSJ-CQSZACIVSA-N 2 1 301.459 3.771 50 0 DHAAMP C[N@@H+](CCC1CCOCC1)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000097742756 563541922 /nfs/dbraw/zinc/54/19/22/563541922.db2.gz KVHNRUMKDZCVNJ-UHFFFAOYSA-N 2 1 322.518 3.592 50 0 DHAAMP CCc1ccc([C@H](C)[NH2+]CC2=CSC3=NCCCN23)cc1 ZINC000101083844 563650261 /nfs/dbraw/zinc/65/02/61/563650261.db2.gz NVNKEWRFKHGBQM-ZDUSSCGKSA-N 2 1 301.459 3.550 50 0 DHAAMP C[N+]1=C(/C=C/C=C/C=C/[NH+]2CCOCC2)C(C)(C)c2ccccc21 ZINC000685944587 563774936 /nfs/dbraw/zinc/77/49/36/563774936.db2.gz OTMDQFZPNRXCRY-UHFFFAOYSA-N 2 1 323.460 3.651 50 0 DHAAMP C[N@@H+](Cc1ccc(OCC[NH3+])cc1)Cc1cccc2ccccc21 ZINC000299779062 563805742 /nfs/dbraw/zinc/80/57/42/563805742.db2.gz QJGXOLGAEQXKQS-UHFFFAOYSA-N 2 1 320.436 3.809 50 0 DHAAMP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000241121742 563880376 /nfs/dbraw/zinc/88/03/76/563880376.db2.gz JDQRCGLVYKNNRN-MDASCCDHSA-N 2 1 302.437 3.536 50 0 DHAAMP Fc1ccc2c(c1)nccc2NCc1ccc(-n2ccnc2)nc1 ZINC000075611365 563885050 /nfs/dbraw/zinc/88/50/50/563885050.db2.gz QNHSHFMDGRQZSK-UHFFFAOYSA-N 2 1 319.343 3.567 50 0 DHAAMP C[C@@H]1CSc2ccccc2[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000095427074 563931618 /nfs/dbraw/zinc/93/16/18/563931618.db2.gz ZHTRDQRXRWNSCC-FZKQIMNGSA-N 2 1 302.487 3.686 50 0 DHAAMP C[N@@H+](CCC1CC[NH+](C)CC1)Cc1ccccc1C(F)(F)F ZINC000020661416 182242139 /nfs/dbraw/zinc/24/21/39/182242139.db2.gz WFNIXIHZHNUHLT-UHFFFAOYSA-N 2 1 314.395 3.869 50 0 DHAAMP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000012716567 563373461 /nfs/dbraw/zinc/37/34/61/563373461.db2.gz AALORYSEVYPOEX-UHFFFAOYSA-N 2 1 304.453 3.565 50 0 DHAAMP Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000067654482 563488540 /nfs/dbraw/zinc/48/85/40/563488540.db2.gz OXBFYQSJTCHJGS-INIZCTEOSA-N 2 1 313.445 3.519 50 0 DHAAMP COc1ccc2ccccc2c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000048354754 563697537 /nfs/dbraw/zinc/69/75/37/563697537.db2.gz AZFUOZYYCZHKHT-UHFFFAOYSA-N 2 1 310.441 3.565 50 0 DHAAMP Cc1nccn1-c1ccc(CNCc2ccc(Cl)s2)cn1 ZINC000048782506 563699984 /nfs/dbraw/zinc/69/99/84/563699984.db2.gz ZEFUFIYYQYBSNE-UHFFFAOYSA-N 2 1 318.833 3.580 50 0 DHAAMP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c2cccnc12 ZINC000215471505 563705828 /nfs/dbraw/zinc/70/58/28/563705828.db2.gz YYCIUTCPWKBZDF-QGZVFWFLSA-N 2 1 320.440 3.656 50 0 DHAAMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517193 563916612 /nfs/dbraw/zinc/91/66/12/563916612.db2.gz BVZYSOXWRMOXCQ-IRXDYDNUSA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517193 563916613 /nfs/dbraw/zinc/91/66/13/563916613.db2.gz BVZYSOXWRMOXCQ-IRXDYDNUSA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517193 563916614 /nfs/dbraw/zinc/91/66/14/563916614.db2.gz BVZYSOXWRMOXCQ-IRXDYDNUSA-N 2 1 306.881 3.831 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1[C@@H]1CCC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000575545567 1020974332 /nfs/dbraw/zinc/97/43/32/1020974332.db2.gz IGLHJTUPSOIQMC-GOSISDBHSA-N 2 1 310.445 3.609 50 0 DHAAMP COc1cccc(C[N@@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575550322 1020976268 /nfs/dbraw/zinc/97/62/68/1020976268.db2.gz VGIJVUYYDRNWNQ-KRWDZBQOSA-N 2 1 311.429 3.525 50 0 DHAAMP COc1cccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)c1 ZINC000575550322 1020976273 /nfs/dbraw/zinc/97/62/73/1020976273.db2.gz VGIJVUYYDRNWNQ-KRWDZBQOSA-N 2 1 311.429 3.525 50 0 DHAAMP C/C=C(\C)C[N@@H+](CCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000015074093 1023097617 /nfs/dbraw/zinc/09/76/17/1023097617.db2.gz CWFXSUWQNJAGCQ-KZVITGMHSA-N 2 1 300.490 3.839 50 0 DHAAMP C/C=C(\C)C[NH+](CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000015074093 1023097628 /nfs/dbraw/zinc/09/76/28/1023097628.db2.gz CWFXSUWQNJAGCQ-KZVITGMHSA-N 2 1 300.490 3.839 50 0 DHAAMP C/C=C(\C)C[NH+](CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000015074093 1023097635 /nfs/dbraw/zinc/09/76/35/1023097635.db2.gz CWFXSUWQNJAGCQ-KZVITGMHSA-N 2 1 300.490 3.839 50 0 DHAAMP CCn1c2ccccc2c2cc(C[NH2+]CCC[NH+](C)C)ccc21 ZINC000006871175 563334785 /nfs/dbraw/zinc/33/47/85/563334785.db2.gz YRTWTPYDAHFNGA-UHFFFAOYSA-N 2 1 309.457 3.856 50 0 DHAAMP COc1ccccc1[C@@H](CC[NH2+]C1CC[NH+](C)CC1)C(C)C ZINC000013684577 563469275 /nfs/dbraw/zinc/46/92/75/563469275.db2.gz FOSREHFWSIFXJJ-KRWDZBQOSA-N 2 1 304.478 3.509 50 0 DHAAMP CC(C)Oc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000012322073 563712989 /nfs/dbraw/zinc/71/29/89/563712989.db2.gz ICSMDEAEGFZUBX-LJQANCHMSA-N 2 1 304.478 3.855 50 0 DHAAMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000089735724 563911189 /nfs/dbraw/zinc/91/11/89/563911189.db2.gz DGBSGGNWFDUDNX-INIZCTEOSA-N 2 1 303.837 3.552 50 0 DHAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000089735724 563911190 /nfs/dbraw/zinc/91/11/90/563911190.db2.gz DGBSGGNWFDUDNX-INIZCTEOSA-N 2 1 303.837 3.552 50 0 DHAAMP COC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000095967339 563933014 /nfs/dbraw/zinc/93/30/14/563933014.db2.gz ACYKIMAWCDSNIC-QGZVFWFLSA-N 2 1 318.505 3.753 50 0 DHAAMP CS[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096478667 563937496 /nfs/dbraw/zinc/93/74/96/563937496.db2.gz HQJSCWFTKZSBSR-MSOLQXFVSA-N 2 1 304.503 3.525 50 0 DHAAMP CC[C@@H]1C=CC[N@H+]1Cc1cccc(OCCCn2ccnc2)c1 ZINC000952962553 1032672005 /nfs/dbraw/zinc/67/20/05/1032672005.db2.gz GFTPNIXEIYDFSZ-GOSISDBHSA-N 2 1 311.429 3.503 50 0 DHAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc3c4ccccc4oc31)C2 ZINC000885938846 1034513186 /nfs/dbraw/zinc/51/31/86/1034513186.db2.gz BBWAIAJDDXPUQN-HBCWATKFSA-N 2 1 306.409 3.755 50 0 DHAAMP CC(C)CC[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169748992 1040860393 /nfs/dbraw/zinc/86/03/93/1040860393.db2.gz WQLBRRJGOJLXDE-HXUWFJFHSA-N 2 1 315.505 3.662 50 0 DHAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC000020211795 182197241 /nfs/dbraw/zinc/19/72/41/182197241.db2.gz TZCQCNPPWDPXSK-LJQANCHMSA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC000020211795 182197243 /nfs/dbraw/zinc/19/72/43/182197243.db2.gz TZCQCNPPWDPXSK-LJQANCHMSA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000020211795 182197245 /nfs/dbraw/zinc/19/72/45/182197245.db2.gz TZCQCNPPWDPXSK-LJQANCHMSA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCCCCCC3)C2)C1 ZINC000020211795 182197247 /nfs/dbraw/zinc/19/72/47/182197247.db2.gz TZCQCNPPWDPXSK-LJQANCHMSA-N 2 1 308.510 3.534 50 0 DHAAMP FC(F)(F)CCC[NH2+][C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000023358510 182358154 /nfs/dbraw/zinc/35/81/54/182358154.db2.gz RGDMUEHPOQKTJY-HNNXBMFYSA-N 2 1 306.416 3.963 50 0 DHAAMP FC(F)(F)CCC[NH2+][C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000023358510 182358155 /nfs/dbraw/zinc/35/81/55/182358155.db2.gz RGDMUEHPOQKTJY-HNNXBMFYSA-N 2 1 306.416 3.963 50 0 DHAAMP CC[C@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000002465913 563303555 /nfs/dbraw/zinc/30/35/55/563303555.db2.gz MSXPFGURNNALCW-IBGZPJMESA-N 2 1 300.490 3.958 50 0 DHAAMP CC[C@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000002465913 563303557 /nfs/dbraw/zinc/30/35/57/563303557.db2.gz MSXPFGURNNALCW-IBGZPJMESA-N 2 1 300.490 3.958 50 0 DHAAMP Cc1cc(C[NH+]2CCCC2)cc(C)c1O[C@@]12CC[N@@H+](C1)CCC2 ZINC000067964800 563494328 /nfs/dbraw/zinc/49/43/28/563494328.db2.gz BDRYSFOIPGDRLT-FQEVSTJZSA-N 2 1 314.473 3.516 50 0 DHAAMP COCC[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@@H](C)C2)c1C ZINC000222513109 563725925 /nfs/dbraw/zinc/72/59/25/563725925.db2.gz LWVYXJVQSLHVOO-MRXNPFEDSA-N 2 1 318.505 3.614 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719033 563779288 /nfs/dbraw/zinc/77/92/88/563779288.db2.gz LVQDSNFPWOGMEH-OAHLLOKOSA-N 2 1 323.444 3.665 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719033 563779290 /nfs/dbraw/zinc/77/92/90/563779290.db2.gz LVQDSNFPWOGMEH-OAHLLOKOSA-N 2 1 323.444 3.665 50 0 DHAAMP C[C@@H](NCc1ccncc1Cl)c1cccc(-n2ccnc2)c1 ZINC000170605237 563907358 /nfs/dbraw/zinc/90/73/58/563907358.db2.gz CWGWWKZKNMKYGV-CYBMUJFWSA-N 2 1 312.804 3.772 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089857754 563911601 /nfs/dbraw/zinc/91/16/01/563911601.db2.gz OTWPDRCIRATEGQ-JZXOWHBKSA-N 2 1 312.457 3.649 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089857754 563911602 /nfs/dbraw/zinc/91/16/02/563911602.db2.gz OTWPDRCIRATEGQ-JZXOWHBKSA-N 2 1 312.457 3.649 50 0 DHAAMP CC[NH+](CC)CCCNc1cc(C)c2ccc(OC)cc2[nH+]1 ZINC000007735884 563918492 /nfs/dbraw/zinc/91/84/92/563918492.db2.gz AQGNZZGUUXLISM-UHFFFAOYSA-N 2 1 301.434 3.696 50 0 DHAAMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129715421 196070604 /nfs/dbraw/zinc/07/06/04/196070604.db2.gz UXPVCZLLUGMTLH-KWCYVHTRSA-N 2 1 303.372 3.538 50 0 DHAAMP C/C=C(\C)C[N@@H+](CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000012076019 563361730 /nfs/dbraw/zinc/36/17/30/563361730.db2.gz KZCRQMOQMVPYQV-JJPRUIFNSA-N 2 1 300.490 3.839 50 0 DHAAMP Cc1ccc(F)c(C[NH+]2CCC3(CC2)CCC[N@H+](C)CC3)c1 ZINC000067756703 563490495 /nfs/dbraw/zinc/49/04/95/563490495.db2.gz XJILJBVFNIBMEZ-UHFFFAOYSA-N 2 1 304.453 3.832 50 0 DHAAMP Fc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000000220237 563579223 /nfs/dbraw/zinc/57/92/23/563579223.db2.gz CBFOZUUJAWYZDN-UHFFFAOYSA-N 2 1 312.432 3.622 50 0 DHAAMP c1cc([C@@H]2CCCN2CC2=CSC3=NCCCN23)cs1 ZINC000101083867 563650197 /nfs/dbraw/zinc/65/01/97/563650197.db2.gz PTRTTXOLFUWIEO-AWEZNQCLSA-N 2 1 305.472 3.535 50 0 DHAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C2CCCCC2)no1 ZINC000244724187 563779202 /nfs/dbraw/zinc/77/92/02/563779202.db2.gz MPLDXQHGUJCBNN-UHFFFAOYSA-N 2 1 316.449 3.520 50 0 DHAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C2CCCCC2)no1 ZINC000244724187 563779205 /nfs/dbraw/zinc/77/92/05/563779205.db2.gz MPLDXQHGUJCBNN-UHFFFAOYSA-N 2 1 316.449 3.520 50 0 DHAAMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000095968640 563933191 /nfs/dbraw/zinc/93/31/91/563933191.db2.gz JYNUQIGSNKDOBC-NDNKKMJESA-N 2 1 312.379 3.770 50 0 DHAAMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000095974237 563933728 /nfs/dbraw/zinc/93/37/28/563933728.db2.gz YNYXFUJWEBREGC-BFYDXBDKSA-N 2 1 302.487 3.748 50 0 DHAAMP CC(C)C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012314112 1020053777 /nfs/dbraw/zinc/05/37/77/1020053777.db2.gz SRJAZASKSMMDBZ-SFHVURJKSA-N 2 1 306.469 3.668 50 0 DHAAMP CC(C)C[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012314112 1020053791 /nfs/dbraw/zinc/05/37/91/1020053791.db2.gz SRJAZASKSMMDBZ-SFHVURJKSA-N 2 1 306.469 3.668 50 0 DHAAMP CC(C)C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012314112 1020053806 /nfs/dbraw/zinc/05/38/06/1020053806.db2.gz SRJAZASKSMMDBZ-SFHVURJKSA-N 2 1 306.469 3.668 50 0 DHAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554304 1020977373 /nfs/dbraw/zinc/97/73/73/1020977373.db2.gz GPDJPBUANPSZFT-KRWDZBQOSA-N 2 1 312.461 3.622 50 0 DHAAMP Cc1c[nH+]c(C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554304 1020977380 /nfs/dbraw/zinc/97/73/80/1020977380.db2.gz GPDJPBUANPSZFT-KRWDZBQOSA-N 2 1 312.461 3.622 50 0 DHAAMP CC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000002465915 563303779 /nfs/dbraw/zinc/30/37/79/563303779.db2.gz MSXPFGURNNALCW-LJQANCHMSA-N 2 1 300.490 3.958 50 0 DHAAMP CC[C@@H]1CCCC[N@H+]1C1CC[NH+](CCc2ccccc2)CC1 ZINC000002465915 563303781 /nfs/dbraw/zinc/30/37/81/563303781.db2.gz MSXPFGURNNALCW-LJQANCHMSA-N 2 1 300.490 3.958 50 0 DHAAMP Cc1ccnc([C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC000067641109 563488001 /nfs/dbraw/zinc/48/80/01/563488001.db2.gz RUBCXXZCBUTVBL-LJQANCHMSA-N 2 1 301.478 3.551 50 0 DHAAMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cc3ccccc3o2)CC1 ZINC000077407240 563509863 /nfs/dbraw/zinc/50/98/63/563509863.db2.gz XJCUFNUMRLCXDQ-UHFFFAOYSA-N 2 1 321.424 3.849 50 0 DHAAMP C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000752 563707620 /nfs/dbraw/zinc/70/76/20/563707620.db2.gz VDEFCMHAZGEFRH-HNNXBMFYSA-N 2 1 315.486 3.932 50 0 DHAAMP C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000752 563707623 /nfs/dbraw/zinc/70/76/23/563707623.db2.gz VDEFCMHAZGEFRH-HNNXBMFYSA-N 2 1 315.486 3.932 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719032 563779010 /nfs/dbraw/zinc/77/90/10/563779010.db2.gz LVQDSNFPWOGMEH-HNNXBMFYSA-N 2 1 323.444 3.665 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1cc(-c2ccccc2)n[nH]1 ZINC000244719032 563779012 /nfs/dbraw/zinc/77/90/12/563779012.db2.gz LVQDSNFPWOGMEH-HNNXBMFYSA-N 2 1 323.444 3.665 50 0 DHAAMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccsc3)CC2)[nH+]c1 ZINC000170670588 563917618 /nfs/dbraw/zinc/91/76/18/563917618.db2.gz JTSNZDSOMHSRIG-CQSZACIVSA-N 2 1 301.459 3.771 50 0 DHAAMP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000095967254 563932978 /nfs/dbraw/zinc/93/29/78/563932978.db2.gz JXCCFADSSRXDFJ-GOSISDBHSA-N 2 1 316.489 3.999 50 0 DHAAMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cc(F)c(F)c(F)c1 ZINC000095968639 563933257 /nfs/dbraw/zinc/93/32/57/563933257.db2.gz JYNUQIGSNKDOBC-HLVVYCRESA-N 2 1 312.379 3.770 50 0 DHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC(C)(C)C3)CC2)cs1 ZINC000096011758 563934960 /nfs/dbraw/zinc/93/49/60/563934960.db2.gz LCKFSJYHMCEKCW-INIZCTEOSA-N 2 1 321.534 3.832 50 0 DHAAMP Cc1nccn1CC[C@H](C)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000823647184 1020433819 /nfs/dbraw/zinc/43/38/19/1020433819.db2.gz ITMWXBKNEGMAJV-HNNXBMFYSA-N 2 1 308.429 3.650 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H](C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000823647184 1020433828 /nfs/dbraw/zinc/43/38/28/1020433828.db2.gz ITMWXBKNEGMAJV-HNNXBMFYSA-N 2 1 308.429 3.650 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H](C)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000823647184 1020433833 /nfs/dbraw/zinc/43/38/33/1020433833.db2.gz ITMWXBKNEGMAJV-HNNXBMFYSA-N 2 1 308.429 3.650 50 0 DHAAMP Cc1ccc(C[N@H+]2CC[C@@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575550743 1020976375 /nfs/dbraw/zinc/97/63/75/1020976375.db2.gz XSEJGCCXNFYDFY-OAHLLOKOSA-N 2 1 301.459 3.886 50 0 DHAAMP COc1cccc2cc(C[NH2+]CCC[NH+]3CCC(C)CC3)oc21 ZINC000096953672 185393436 /nfs/dbraw/zinc/39/34/36/185393436.db2.gz OBEQWYAIFOYZBO-UHFFFAOYSA-N 2 1 316.445 3.653 50 0 DHAAMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000095415414 185358629 /nfs/dbraw/zinc/35/86/29/185358629.db2.gz UXMNMHOLHFQLPM-UHFFFAOYSA-N 2 1 314.820 3.573 50 0 DHAAMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000002498530 563448570 /nfs/dbraw/zinc/44/85/70/563448570.db2.gz HNKFXVGCCISYNN-JOCHJYFZSA-N 2 1 320.480 3.798 50 0 DHAAMP C[C@H](c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)[NH+](C)C ZINC000097681949 563541984 /nfs/dbraw/zinc/54/19/84/563541984.db2.gz IRYLIPQFZQTNIU-QGZVFWFLSA-N 2 1 316.489 3.702 50 0 DHAAMP C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000793 563707682 /nfs/dbraw/zinc/70/76/82/563707682.db2.gz VDEFCMHAZGEFRH-OAHLLOKOSA-N 2 1 315.486 3.932 50 0 DHAAMP C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C[NH+]2CCCC2)s1 ZINC000216000793 563707683 /nfs/dbraw/zinc/70/76/83/563707683.db2.gz VDEFCMHAZGEFRH-OAHLLOKOSA-N 2 1 315.486 3.932 50 0 DHAAMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375358 563885694 /nfs/dbraw/zinc/88/56/94/563885694.db2.gz BVZYSOXWRMOXCQ-DLBZAZTESA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375358 563885696 /nfs/dbraw/zinc/88/56/96/563885696.db2.gz BVZYSOXWRMOXCQ-DLBZAZTESA-N 2 1 306.881 3.831 50 0 DHAAMP C[C@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000253425660 563925067 /nfs/dbraw/zinc/92/50/67/563925067.db2.gz BDBWOJFVZQKCPM-MRXNPFEDSA-N 2 1 318.424 3.513 50 0 DHAAMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCS2 ZINC000095974239 563933653 /nfs/dbraw/zinc/93/36/53/563933653.db2.gz YNYXFUJWEBREGC-ZMSDIMECSA-N 2 1 302.487 3.748 50 0 DHAAMP CCC(CC)C[N@@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547998 1020975437 /nfs/dbraw/zinc/97/54/37/1020975437.db2.gz DZMNOUBNEDUIRJ-GOSISDBHSA-N 2 1 319.493 3.769 50 0 DHAAMP CCC(CC)C[N@H+]1CC[C@@H](n2c(C)c[nH+]c2C2CCOCC2)C1 ZINC000575547998 1020975441 /nfs/dbraw/zinc/97/54/41/1020975441.db2.gz DZMNOUBNEDUIRJ-GOSISDBHSA-N 2 1 319.493 3.769 50 0 DHAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC000020406537 182215236 /nfs/dbraw/zinc/21/52/36/182215236.db2.gz FPDLTWWMJGKDTP-UHFFFAOYSA-N 2 1 307.441 3.642 50 0 DHAAMP c1cncc(C[NH+]2CCC([C@@H]3CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC000020599854 182236484 /nfs/dbraw/zinc/23/64/84/182236484.db2.gz OYNUKNCYOADSJC-LJQANCHMSA-N 2 1 313.489 3.558 50 0 DHAAMP C[C@@H]1C[C@@H](C)C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000001229435 563280095 /nfs/dbraw/zinc/28/00/95/563280095.db2.gz ZYDIJYHBHFHSQJ-QZTJIDSGSA-N 2 1 300.490 3.671 50 0 DHAAMP CCc1ccc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000055183294 563471852 /nfs/dbraw/zinc/47/18/52/563471852.db2.gz RIVJBIPPLIQZSO-VQTJNVASSA-N 2 1 300.490 3.646 50 0 DHAAMP Cc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c2cccnc12 ZINC000215471455 563705392 /nfs/dbraw/zinc/70/53/92/563705392.db2.gz YYCIUTCPWKBZDF-KRWDZBQOSA-N 2 1 320.440 3.656 50 0 DHAAMP C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552435 563706093 /nfs/dbraw/zinc/70/60/93/563706093.db2.gz NVDFIYJIRDLZMB-HNNXBMFYSA-N 2 1 315.486 3.932 50 0 DHAAMP C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(C[NH+]2CCCC2)cs1 ZINC000215552435 563706097 /nfs/dbraw/zinc/70/60/97/563706097.db2.gz NVDFIYJIRDLZMB-HNNXBMFYSA-N 2 1 315.486 3.932 50 0 DHAAMP Cc1ccc(C[N@H+](C)Cc2cc(C[NH+]3CCCC3)cs2)o1 ZINC000216435847 563709922 /nfs/dbraw/zinc/70/99/22/563709922.db2.gz KYLXXPSGJZEXMA-UHFFFAOYSA-N 2 1 304.459 3.877 50 0 DHAAMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)o1 ZINC000012596267 563802753 /nfs/dbraw/zinc/80/27/53/563802753.db2.gz DHVHKXLEDLKJMR-IBGZPJMESA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC(C)(C)C)C3)o1 ZINC000012596267 563802756 /nfs/dbraw/zinc/80/27/56/563802756.db2.gz DHVHKXLEDLKJMR-IBGZPJMESA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)o1 ZINC000012596267 563802758 /nfs/dbraw/zinc/80/27/58/563802758.db2.gz DHVHKXLEDLKJMR-IBGZPJMESA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)o1 ZINC000012596267 563802761 /nfs/dbraw/zinc/80/27/61/563802761.db2.gz DHVHKXLEDLKJMR-IBGZPJMESA-N 2 1 304.478 3.922 50 0 DHAAMP CCCc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670472261 563948979 /nfs/dbraw/zinc/94/89/79/563948979.db2.gz QYSDJSZDLDGFIZ-MRXNPFEDSA-N 2 1 301.434 3.649 50 0 DHAAMP CCCc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670472261 563948980 /nfs/dbraw/zinc/94/89/80/563948980.db2.gz QYSDJSZDLDGFIZ-MRXNPFEDSA-N 2 1 301.434 3.649 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CCC[N@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554308 1020976953 /nfs/dbraw/zinc/97/69/53/1020976953.db2.gz GPDJPBUANPSZFT-QGZVFWFLSA-N 2 1 312.461 3.622 50 0 DHAAMP Cc1c[nH+]c(C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1C(C)C ZINC000575554308 1020976957 /nfs/dbraw/zinc/97/69/57/1020976957.db2.gz GPDJPBUANPSZFT-QGZVFWFLSA-N 2 1 312.461 3.622 50 0 DHAAMP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000581805955 1021847026 /nfs/dbraw/zinc/84/70/26/1021847026.db2.gz IYEBAOMJQFPACK-LJQANCHMSA-N 2 1 311.473 3.975 50 0 DHAAMP CCCn1c(C)c[nH+]c1C[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000581805955 1021847039 /nfs/dbraw/zinc/84/70/39/1021847039.db2.gz IYEBAOMJQFPACK-LJQANCHMSA-N 2 1 311.473 3.975 50 0 DHAAMP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000215805907 1024526047 /nfs/dbraw/zinc/52/60/47/1024526047.db2.gz QEJALCPRPWVVPP-MRXNPFEDSA-N 2 1 322.518 3.733 50 0 DHAAMP CC[N@H+](Cc1cc(C[NH+]2CCCCC2)cs1)C[C@@H]1CCCO1 ZINC000223305020 1024591520 /nfs/dbraw/zinc/59/15/20/1024591520.db2.gz FDCKORKLUALIKT-KRWDZBQOSA-N 2 1 322.518 3.735 50 0 DHAAMP C[N@@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055211246 563472689 /nfs/dbraw/zinc/47/26/89/563472689.db2.gz JJOPFNIZMMCFON-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000055211246 563472691 /nfs/dbraw/zinc/47/26/91/563472691.db2.gz JJOPFNIZMMCFON-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055211246 563472692 /nfs/dbraw/zinc/47/26/92/563472692.db2.gz JJOPFNIZMMCFON-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP C[NH+](Cc1cccc2cnccc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055211246 563472695 /nfs/dbraw/zinc/47/26/95/563472695.db2.gz JJOPFNIZMMCFON-PZJWPPBQSA-N 2 1 323.484 3.931 50 0 DHAAMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)CC2)c(F)c1 ZINC000216292897 563709310 /nfs/dbraw/zinc/70/93/10/563709310.db2.gz AWFXSVKQDYEEJF-UHFFFAOYSA-N 2 1 320.452 3.532 50 0 DHAAMP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000241121741 563880405 /nfs/dbraw/zinc/88/04/05/563880405.db2.gz JDQRCGLVYKNNRN-CCKFTAQKSA-N 2 1 302.437 3.536 50 0 DHAAMP c1ccc(C[NH+]2CCC([NH2+]CC3(c4ccccc4)CC3)CC2)cc1 ZINC000075572418 563884715 /nfs/dbraw/zinc/88/47/15/563884715.db2.gz IMEUNEYLQAFDHO-UHFFFAOYSA-N 2 1 320.480 3.972 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089857752 563911737 /nfs/dbraw/zinc/91/17/37/563911737.db2.gz OTWPDRCIRATEGQ-NUJGCVRESA-N 2 1 312.457 3.649 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089857752 563911738 /nfs/dbraw/zinc/91/17/38/563911738.db2.gz OTWPDRCIRATEGQ-NUJGCVRESA-N 2 1 312.457 3.649 50 0 DHAAMP Cc1[nH+]ccn1Cc1ccc(NC2CC[NH+](C(C)C)CC2)cc1 ZINC000195557895 563919719 /nfs/dbraw/zinc/91/97/19/563919719.db2.gz YSGPOFLNWGISFJ-UHFFFAOYSA-N 2 1 312.461 3.525 50 0 DHAAMP C[C@@H](c1cccnc1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000253425647 563925157 /nfs/dbraw/zinc/92/51/57/563925157.db2.gz BDBWOJFVZQKCPM-INIZCTEOSA-N 2 1 318.424 3.513 50 0 DHAAMP CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000095967920 563933229 /nfs/dbraw/zinc/93/32/29/563933229.db2.gz IJUKCVZXSYRRCW-QGZVFWFLSA-N 2 1 307.482 3.528 50 0 DHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441740 563943870 /nfs/dbraw/zinc/94/38/70/563943870.db2.gz USTFTSGLZTWKRD-QGZVFWFLSA-N 2 1 322.456 3.628 50 0 DHAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CCc2c[nH]c3ccccc23)C1 ZINC000670441740 563943872 /nfs/dbraw/zinc/94/38/72/563943872.db2.gz USTFTSGLZTWKRD-QGZVFWFLSA-N 2 1 322.456 3.628 50 0 DHAAMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C[NH2+]C1CC[NH+](C)CC1 ZINC000022077841 1013706955 /nfs/dbraw/zinc/70/69/55/1013706955.db2.gz XTSWVUOIBDKVOJ-OAHLLOKOSA-N 2 1 311.473 3.580 50 0 DHAAMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249400763 563909444 /nfs/dbraw/zinc/90/94/44/563909444.db2.gz UXPVCZLLUGMTLH-BNOWGMLFSA-N 2 1 303.372 3.538 50 0 DHAAMP C[C@H]1C[C@H](C)C[NH+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000001229436 563279894 /nfs/dbraw/zinc/27/98/94/563279894.db2.gz ZYDIJYHBHFHSQJ-ROUUACIJSA-N 2 1 300.490 3.671 50 0 DHAAMP Fc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000003683561 563449766 /nfs/dbraw/zinc/44/97/66/563449766.db2.gz AGKWBTBGGXNSAK-UHFFFAOYSA-N 2 1 312.432 3.622 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000124825309 563601110 /nfs/dbraw/zinc/60/11/10/563601110.db2.gz DHRUOJQYDIZVPO-UHFFFAOYSA-N 2 1 311.351 3.732 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000124825309 563601113 /nfs/dbraw/zinc/60/11/13/563601113.db2.gz DHRUOJQYDIZVPO-UHFFFAOYSA-N 2 1 311.351 3.732 50 0 DHAAMP CCOc1cc(C)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C(C)C ZINC000215232310 563704357 /nfs/dbraw/zinc/70/43/57/563704357.db2.gz HNEOOTVNGMHBQL-HDICACEKSA-N 2 1 316.489 3.511 50 0 DHAAMP CCOc1cc(C)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1C(C)C ZINC000215232310 563704360 /nfs/dbraw/zinc/70/43/60/563704360.db2.gz HNEOOTVNGMHBQL-HDICACEKSA-N 2 1 316.489 3.511 50 0 DHAAMP CCOc1cc(C)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C(C)C ZINC000215232310 563704364 /nfs/dbraw/zinc/70/43/64/563704364.db2.gz HNEOOTVNGMHBQL-HDICACEKSA-N 2 1 316.489 3.511 50 0 DHAAMP CCOc1cc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C(C)C ZINC000215232310 563704367 /nfs/dbraw/zinc/70/43/67/563704367.db2.gz HNEOOTVNGMHBQL-HDICACEKSA-N 2 1 316.489 3.511 50 0 DHAAMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897261 563776405 /nfs/dbraw/zinc/77/64/05/563776405.db2.gz IRPLYMXOSLDCKE-AFYVEPGGSA-N 2 1 321.468 3.928 50 0 DHAAMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897261 563776408 /nfs/dbraw/zinc/77/64/08/563776408.db2.gz IRPLYMXOSLDCKE-AFYVEPGGSA-N 2 1 321.468 3.928 50 0 DHAAMP CS[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096478663 563937421 /nfs/dbraw/zinc/93/74/21/563937421.db2.gz HQJSCWFTKZSBSR-ROUUACIJSA-N 2 1 304.503 3.525 50 0 DHAAMP CC[C@H]1C=CC[N@H+]1Cc1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000952870031 1032669288 /nfs/dbraw/zinc/66/92/88/1032669288.db2.gz QHBNGEOCFYYQFF-SFHVURJKSA-N 2 1 302.462 3.687 50 0 DHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000004745698 181146728 /nfs/dbraw/zinc/14/67/28/181146728.db2.gz DJMARARVQRPHAU-IAGOWNOFSA-N 2 1 300.490 3.937 50 0 DHAAMP CCCC[N@@H+](CCCCO)CCC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019224203 182107988 /nfs/dbraw/zinc/10/79/88/182107988.db2.gz VBAOYQMXJRLNSP-UHFFFAOYSA-N 2 1 312.542 3.808 50 0 DHAAMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129715831 196070676 /nfs/dbraw/zinc/07/06/76/196070676.db2.gz UXPVCZLLUGMTLH-XBFCOCLRSA-N 2 1 303.372 3.538 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534658904 334314935 /nfs/dbraw/zinc/31/49/35/334314935.db2.gz UFTBJYFXYJLTQU-AWEZNQCLSA-N 2 1 317.864 3.988 50 0 DHAAMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)o1 ZINC000012596272 563802877 /nfs/dbraw/zinc/80/28/77/563802877.db2.gz DHVHKXLEDLKJMR-LJQANCHMSA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC(C)(C)C)C3)o1 ZINC000012596272 563802880 /nfs/dbraw/zinc/80/28/80/563802880.db2.gz DHVHKXLEDLKJMR-LJQANCHMSA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)o1 ZINC000012596272 563802883 /nfs/dbraw/zinc/80/28/83/563802883.db2.gz DHVHKXLEDLKJMR-LJQANCHMSA-N 2 1 304.478 3.922 50 0 DHAAMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)o1 ZINC000012596272 563802885 /nfs/dbraw/zinc/80/28/85/563802885.db2.gz DHVHKXLEDLKJMR-LJQANCHMSA-N 2 1 304.478 3.922 50 0 DHAAMP C[N@@H+](C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063815 563406092 /nfs/dbraw/zinc/40/60/92/563406092.db2.gz KVTXUAPVDOLSBM-QGZVFWFLSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+](C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063815 563406093 /nfs/dbraw/zinc/40/60/93/563406093.db2.gz KVTXUAPVDOLSBM-QGZVFWFLSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+](C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063815 563406095 /nfs/dbraw/zinc/40/60/95/563406095.db2.gz KVTXUAPVDOLSBM-QGZVFWFLSA-N 2 1 304.453 3.565 50 0 DHAAMP C[C@@H](c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1)[NH+](C)C ZINC000097681948 563542068 /nfs/dbraw/zinc/54/20/68/563542068.db2.gz IRYLIPQFZQTNIU-KRWDZBQOSA-N 2 1 316.489 3.702 50 0 DHAAMP C[N@@H+](Cc1ccsc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000215198616 563704111 /nfs/dbraw/zinc/70/41/11/563704111.db2.gz BCGPCYLAMKAWQN-UHFFFAOYSA-N 2 1 300.471 3.976 50 0 DHAAMP COCC[N@@H+](C)Cc1cc(C)cc(C[NH+]2CCC[C@H](C)C2)c1C ZINC000230579746 563773205 /nfs/dbraw/zinc/77/32/05/563773205.db2.gz LWVYXJVQSLHVOO-INIZCTEOSA-N 2 1 318.505 3.614 50 0 DHAAMP COCC[NH+](C)Cc1cc(C)cc(C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000230579746 563773208 /nfs/dbraw/zinc/77/32/08/563773208.db2.gz LWVYXJVQSLHVOO-INIZCTEOSA-N 2 1 318.505 3.614 50 0 DHAAMP COCC[NH+](C)Cc1cc(C)cc(C[N@H+]2CCC[C@H](C)C2)c1C ZINC000230579746 563773212 /nfs/dbraw/zinc/77/32/12/563773212.db2.gz LWVYXJVQSLHVOO-INIZCTEOSA-N 2 1 318.505 3.614 50 0 DHAAMP C[C@H](NCc1ccncc1Cl)c1cccc(-n2ccnc2)c1 ZINC000170605236 563907487 /nfs/dbraw/zinc/90/74/87/563907487.db2.gz CWGWWKZKNMKYGV-ZDUSSCGKSA-N 2 1 312.804 3.772 50 0 DHAAMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccs3)CC2)[nH+]1 ZINC000095422610 563931426 /nfs/dbraw/zinc/93/14/26/563931426.db2.gz GXXWZGVNHZLTBV-CQSZACIVSA-N 2 1 301.459 3.771 50 0 DHAAMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000095423138 563931581 /nfs/dbraw/zinc/93/15/81/563931581.db2.gz MWNBNBQKNRXTND-FQEVSTJZSA-N 2 1 309.457 3.787 50 0 DHAAMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2CC2(C)CCOCC2)cc1 ZINC000952870283 1032668689 /nfs/dbraw/zinc/66/86/89/1032668689.db2.gz VGJPBGGXZDRVPD-IBGZPJMESA-N 2 1 316.489 3.702 50 0 DHAAMP CC(C)(C)c1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000062838820 184255522 /nfs/dbraw/zinc/25/55/22/184255522.db2.gz HVOHVYDGHWHMSQ-UHFFFAOYSA-N 2 1 309.523 3.839 50 0 DHAAMP [NH3+]CCCOc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000299791246 534617973 /nfs/dbraw/zinc/61/79/73/534617973.db2.gz DKECNJXMIUEISQ-UHFFFAOYSA-N 2 1 322.452 3.704 50 0 DHAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 ZINC000012589532 563371632 /nfs/dbraw/zinc/37/16/32/563371632.db2.gz XXJJSQCLYAONFQ-GOSISDBHSA-N 2 1 319.468 3.576 50 0 DHAAMP C[N@@H+](C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063814 563406049 /nfs/dbraw/zinc/40/60/49/563406049.db2.gz KVTXUAPVDOLSBM-KRWDZBQOSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+](C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063814 563406053 /nfs/dbraw/zinc/40/60/53/563406053.db2.gz KVTXUAPVDOLSBM-KRWDZBQOSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+](C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C1CCC1 ZINC000015063814 563406056 /nfs/dbraw/zinc/40/60/56/563406056.db2.gz KVTXUAPVDOLSBM-KRWDZBQOSA-N 2 1 304.453 3.565 50 0 DHAAMP Cc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3[nH+]2)cc1 ZINC000025559392 563423808 /nfs/dbraw/zinc/42/38/08/563423808.db2.gz OQUQTBNZZXQKSI-UHFFFAOYSA-N 2 1 317.436 3.962 50 0 DHAAMP C[C@@H](c1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1)[NH+](C)C ZINC000216314939 563708749 /nfs/dbraw/zinc/70/87/49/563708749.db2.gz YWLXNQSWUPDTFA-INIZCTEOSA-N 2 1 309.457 3.869 50 0 DHAAMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccsc3)CC2)[nH+]c1 ZINC000170670586 563917547 /nfs/dbraw/zinc/91/75/47/563917547.db2.gz JTSNZDSOMHSRIG-AWEZNQCLSA-N 2 1 301.459 3.771 50 0 DHAAMP C[N@H+](CCCOc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072130788 191045059 /nfs/dbraw/zinc/04/50/59/191045059.db2.gz MGHFCTIRXBVKCR-AZUAARDMSA-N 2 1 316.489 3.652 50 0 DHAAMP C[N@@H+](CCCOc1ccccc1)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072130788 191045060 /nfs/dbraw/zinc/04/50/60/191045060.db2.gz MGHFCTIRXBVKCR-AZUAARDMSA-N 2 1 316.489 3.652 50 0 DHAAMP C[NH+](CCCOc1ccccc1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072130788 191045063 /nfs/dbraw/zinc/04/50/63/191045063.db2.gz MGHFCTIRXBVKCR-AZUAARDMSA-N 2 1 316.489 3.652 50 0 DHAAMP C[NH+](CCCOc1ccccc1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072130788 191045066 /nfs/dbraw/zinc/04/50/66/191045066.db2.gz MGHFCTIRXBVKCR-AZUAARDMSA-N 2 1 316.489 3.652 50 0 DHAAMP Cc1nc[nH]c1C[N@@H+]1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072408262 257270828 /nfs/dbraw/zinc/27/08/28/257270828.db2.gz OJCIQHIFIPCNJT-IBGZPJMESA-N 2 1 312.461 3.507 50 0 DHAAMP C[C@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414925 563480591 /nfs/dbraw/zinc/48/05/91/563480591.db2.gz ZIVXBPAXOUVBBE-GHTZIAJQSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000096414925 563480596 /nfs/dbraw/zinc/48/05/96/563480596.db2.gz ZIVXBPAXOUVBBE-GHTZIAJQSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@H]([N@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414925 563480600 /nfs/dbraw/zinc/48/06/00/563480600.db2.gz ZIVXBPAXOUVBBE-GHTZIAJQSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414925 563480602 /nfs/dbraw/zinc/48/06/02/563480602.db2.gz ZIVXBPAXOUVBBE-GHTZIAJQSA-N 2 1 323.484 3.609 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252517696 563916823 /nfs/dbraw/zinc/91/68/23/563916823.db2.gz OTWPDRCIRATEGQ-RYRKJORJSA-N 2 1 312.457 3.649 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252517696 563916824 /nfs/dbraw/zinc/91/68/24/563916824.db2.gz OTWPDRCIRATEGQ-RYRKJORJSA-N 2 1 312.457 3.649 50 0 DHAAMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2CC2(C)CCOCC2)cc1 ZINC000952870285 1032666991 /nfs/dbraw/zinc/66/69/91/1032666991.db2.gz VGJPBGGXZDRVPD-LJQANCHMSA-N 2 1 316.489 3.702 50 0 DHAAMP Cc1cnc(C2CC2)n1C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581813812 1021856073 /nfs/dbraw/zinc/85/60/73/1021856073.db2.gz IEASLBHXBIOERB-INIZCTEOSA-N 2 1 313.420 3.730 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000581813812 1021856085 /nfs/dbraw/zinc/85/60/85/1021856085.db2.gz IEASLBHXBIOERB-INIZCTEOSA-N 2 1 313.420 3.730 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000581813812 1021856106 /nfs/dbraw/zinc/85/61/06/1021856106.db2.gz IEASLBHXBIOERB-INIZCTEOSA-N 2 1 313.420 3.730 50 0 DHAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c2ccccc2[nH+]1 ZINC000082087694 563518650 /nfs/dbraw/zinc/51/86/50/563518650.db2.gz ZEEOEGLKUISJFY-OAHLLOKOSA-N 2 1 306.413 3.661 50 0 DHAAMP CC[C@H]1CCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000244620004 563779042 /nfs/dbraw/zinc/77/90/42/563779042.db2.gz FKBCACRDGBTFQG-IBGZPJMESA-N 2 1 316.489 3.926 50 0 DHAAMP Cc1ccc(NCCC[NH2+]Cc2ccc(C)c3ncccc23)[nH+]c1 ZINC000952965577 1032670580 /nfs/dbraw/zinc/67/05/80/1032670580.db2.gz AIRIVBQLIWJWOH-UHFFFAOYSA-N 2 1 320.440 3.838 50 0 DHAAMP Cc1ccc(C[N@H+]2CC[C@H](n3c(C)c[nH+]c3C3CC3)C2)s1 ZINC000575550728 1020975383 /nfs/dbraw/zinc/97/53/83/1020975383.db2.gz XSEJGCCXNFYDFY-HNNXBMFYSA-N 2 1 301.459 3.886 50 0 DHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806051 1021847217 /nfs/dbraw/zinc/84/72/17/1021847217.db2.gz RIUYOTGTXUOMRM-FQEVSTJZSA-N 2 1 323.484 3.975 50 0 DHAAMP Cc1c[nH+]c(C[C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)n1CC1CC1 ZINC000581806051 1021847233 /nfs/dbraw/zinc/84/72/33/1021847233.db2.gz RIUYOTGTXUOMRM-FQEVSTJZSA-N 2 1 323.484 3.975 50 0 DHAAMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)s1)C[C@@H]1CCCCO1 ZINC000214959065 1024518367 /nfs/dbraw/zinc/51/83/67/1024518367.db2.gz MYHSYYYNEPCYMD-INIZCTEOSA-N 2 1 322.518 3.735 50 0 DHAAMP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC000072480140 191180624 /nfs/dbraw/zinc/18/06/24/191180624.db2.gz FXQMHXJSKNPOJV-FQEVSTJZSA-N 2 1 309.457 3.870 50 0 DHAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC000020211798 182197385 /nfs/dbraw/zinc/19/73/85/182197385.db2.gz TZCQCNPPWDPXSK-IBGZPJMESA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](C3CCCCCCC3)C2)C1 ZINC000020211798 182197386 /nfs/dbraw/zinc/19/73/86/182197386.db2.gz TZCQCNPPWDPXSK-IBGZPJMESA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCCCCCC3)C2)C1 ZINC000020211798 182197387 /nfs/dbraw/zinc/19/73/87/182197387.db2.gz TZCQCNPPWDPXSK-IBGZPJMESA-N 2 1 308.510 3.534 50 0 DHAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](C3CCCCCCC3)C2)C1 ZINC000020211798 182197388 /nfs/dbraw/zinc/19/73/88/182197388.db2.gz TZCQCNPPWDPXSK-IBGZPJMESA-N 2 1 308.510 3.534 50 0 DHAAMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1Cl ZINC000067772738 563490545 /nfs/dbraw/zinc/49/05/45/563490545.db2.gz ZXFJRHUVWRZRKZ-UHFFFAOYSA-N 2 1 313.272 3.877 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000077488999 563510638 /nfs/dbraw/zinc/51/06/38/563510638.db2.gz MFXMWXUWFCRIHX-GOSISDBHSA-N 2 1 301.409 3.775 50 0 DHAAMP Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000077488999 563510640 /nfs/dbraw/zinc/51/06/40/563510640.db2.gz MFXMWXUWFCRIHX-GOSISDBHSA-N 2 1 301.409 3.775 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000077488996 563511173 /nfs/dbraw/zinc/51/11/73/563511173.db2.gz MFXMWXUWFCRIHX-SFHVURJKSA-N 2 1 301.409 3.775 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC000077488996 563511176 /nfs/dbraw/zinc/51/11/76/563511176.db2.gz MFXMWXUWFCRIHX-SFHVURJKSA-N 2 1 301.409 3.775 50 0 DHAAMP Cc1[nH+]ccn1CC1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000097698743 563541702 /nfs/dbraw/zinc/54/17/02/563541702.db2.gz XDWLPUFTUGZILO-UHFFFAOYSA-N 2 1 301.409 3.551 50 0 DHAAMP C[NH+](C)CCCOc1cccc(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000216374602 563709349 /nfs/dbraw/zinc/70/93/49/563709349.db2.gz WQKHXVPBTLQMQP-UHFFFAOYSA-N 2 1 316.489 3.783 50 0 DHAAMP CC1(C)C[C@@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000095967057 563932887 /nfs/dbraw/zinc/93/28/87/563932887.db2.gz UBBBNDQTVXGESI-QGZVFWFLSA-N 2 1 300.446 3.505 50 0 DHAAMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC(C)(C)C3)CC2)cs1 ZINC000096011757 563934945 /nfs/dbraw/zinc/93/49/45/563934945.db2.gz LCKFSJYHMCEKCW-MRXNPFEDSA-N 2 1 321.534 3.832 50 0 DHAAMP C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299785992 1015085746 /nfs/dbraw/zinc/08/57/46/1015085746.db2.gz OVUVICCRZGADMT-UHFFFAOYSA-N 2 1 316.470 3.511 50 0 DHAAMP c1ccc(CCC[NH+]2CCC([NH+]3CCCCCC3)CC2)cc1 ZINC000004703444 181139910 /nfs/dbraw/zinc/13/99/10/181139910.db2.gz VPJARABEBUHTDW-UHFFFAOYSA-N 2 1 300.490 3.960 50 0 DHAAMP Cc1ccccc1C[NH+]1CCC([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000004745695 181146892 /nfs/dbraw/zinc/14/68/92/181146892.db2.gz DJMARARVQRPHAU-IRXDYDNUSA-N 2 1 300.490 3.937 50 0 DHAAMP C[C@H](c1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1)[NH+](C)C ZINC000216314984 563709065 /nfs/dbraw/zinc/70/90/65/563709065.db2.gz YWLXNQSWUPDTFA-MRXNPFEDSA-N 2 1 309.457 3.869 50 0 DHAAMP Cc1nccn1CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000244873307 563779786 /nfs/dbraw/zinc/77/97/86/563779786.db2.gz WNWRZKYSMMPWLG-GOSISDBHSA-N 2 1 323.444 3.685 50 0 DHAAMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089735722 563911165 /nfs/dbraw/zinc/91/11/65/563911165.db2.gz DGBSGGNWFDUDNX-MRXNPFEDSA-N 2 1 303.837 3.552 50 0 DHAAMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089735722 563911166 /nfs/dbraw/zinc/91/11/66/563911166.db2.gz DGBSGGNWFDUDNX-MRXNPFEDSA-N 2 1 303.837 3.552 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000096476612 563937275 /nfs/dbraw/zinc/93/72/75/563937275.db2.gz YWNSPUQHHJOWJP-QAPCUYQASA-N 2 1 312.457 3.507 50 0 DHAAMP CS[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000096478661 563937466 /nfs/dbraw/zinc/93/74/66/563937466.db2.gz HQJSCWFTKZSBSR-ZWKOTPCHSA-N 2 1 304.503 3.525 50 0 DHAAMP CC(C)(C)C[N@@H+]1CC[C@@H](C2CC[NH+](Cc3nccs3)CC2)C1 ZINC000012459468 1019949378 /nfs/dbraw/zinc/94/93/78/1019949378.db2.gz YPLOIUQPISUWDV-MRXNPFEDSA-N 2 1 321.534 3.723 50 0 DHAAMP CC(C)(C)C[N@H+]1CC[C@@H](C2CC[NH+](Cc3nccs3)CC2)C1 ZINC000012459468 1019949385 /nfs/dbraw/zinc/94/93/85/1019949385.db2.gz YPLOIUQPISUWDV-MRXNPFEDSA-N 2 1 321.534 3.723 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575547596 1020976307 /nfs/dbraw/zinc/97/63/07/1020976307.db2.gz KLWJFKKXXREIBO-GOSISDBHSA-N 2 1 309.457 3.981 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000575547596 1020976312 /nfs/dbraw/zinc/97/63/12/1020976312.db2.gz KLWJFKKXXREIBO-GOSISDBHSA-N 2 1 309.457 3.981 50 0 DHAAMP C[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002498497 1021107011 /nfs/dbraw/zinc/10/70/11/1021107011.db2.gz SGQHRGPXIXKVER-XLIONFOSSA-N 2 1 300.490 3.862 50 0 DHAAMP C[NH+](C)Cc1ccc([C@@H]2CCCC[N@H+]2CCc2ccccn2)cc1 ZINC000072169163 191068660 /nfs/dbraw/zinc/06/86/60/191068660.db2.gz PQFIXXFZSGOYCZ-NRFANRHFSA-N 2 1 323.484 3.913 50 0 DHAAMP C[NH+](C)Cc1ccc([C@H]2CCCC[N@H+]2CCc2ccccn2)cc1 ZINC000072169164 191068733 /nfs/dbraw/zinc/06/87/33/191068733.db2.gz PQFIXXFZSGOYCZ-OAQYLSRUSA-N 2 1 323.484 3.913 50 0 DHAAMP C[NH+](C)Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC000072480141 191180709 /nfs/dbraw/zinc/18/07/09/191180709.db2.gz FXQMHXJSKNPOJV-HXUWFJFHSA-N 2 1 309.457 3.870 50 0 DHAAMP C(C1CCCCC1)[N@H+]1CCC[C@@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000039380372 183016964 /nfs/dbraw/zinc/01/69/64/183016964.db2.gz HXIXUXJXFJOYLZ-HXUWFJFHSA-N 2 1 320.521 3.534 50 0 DHAAMP C(C1CCCCC1)[NH+]1CCC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000039380372 183016968 /nfs/dbraw/zinc/01/69/68/183016968.db2.gz HXIXUXJXFJOYLZ-HXUWFJFHSA-N 2 1 320.521 3.534 50 0 DHAAMP C(C1CCCCC1)[NH+]1CCC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000039380372 183016970 /nfs/dbraw/zinc/01/69/70/183016970.db2.gz HXIXUXJXFJOYLZ-HXUWFJFHSA-N 2 1 320.521 3.534 50 0 DHAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000534658843 334315030 /nfs/dbraw/zinc/31/50/30/334315030.db2.gz UVOYORBBXIAMCV-ZDUSSCGKSA-N 2 1 303.837 3.766 50 0 DHAAMP Cc1ccc2[nH]c(CC[N@H+](C)Cc3ccccc3)c(CC[NH3+])c2c1 ZINC000032919468 563444304 /nfs/dbraw/zinc/44/43/04/563444304.db2.gz PQHYZGPCXNVQOB-UHFFFAOYSA-N 2 1 321.468 3.652 50 0 DHAAMP C[C@H]1CC[N@@H+](CCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000247628920 563530936 /nfs/dbraw/zinc/53/09/36/563530936.db2.gz NRJWNEASDKXHSH-DOTOQJQBSA-N 2 1 301.459 3.558 50 0 DHAAMP Cc1nccn1CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000244873308 563780055 /nfs/dbraw/zinc/78/00/55/563780055.db2.gz WNWRZKYSMMPWLG-SFHVURJKSA-N 2 1 323.444 3.685 50 0 DHAAMP CC(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000095967255 563932973 /nfs/dbraw/zinc/93/29/73/563932973.db2.gz JXCCFADSSRXDFJ-SFHVURJKSA-N 2 1 316.489 3.999 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000096476608 563937127 /nfs/dbraw/zinc/93/71/27/563937127.db2.gz YWNSPUQHHJOWJP-YJBOKZPZSA-N 2 1 312.457 3.507 50 0 DHAAMP c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000096476606 563937186 /nfs/dbraw/zinc/93/71/86/563937186.db2.gz YWNSPUQHHJOWJP-MAUKXSAKSA-N 2 1 312.457 3.507 50 0 DHAAMP CC[N@H+](Cc1ccc(-c2ccccn2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000952973924 1032676685 /nfs/dbraw/zinc/67/66/85/1032676685.db2.gz YWRLRDQAKOIOQR-SFHVURJKSA-N 2 1 309.457 3.522 50 0 DHAAMP CCC[N@H+](CC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000822907288 1020379620 /nfs/dbraw/zinc/37/96/20/1020379620.db2.gz GKLDJHHHFYOJOI-UHFFFAOYSA-N 2 1 300.490 3.816 50 0 DHAAMP CCC[N@@H+](CC1CC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000822907288 1020379632 /nfs/dbraw/zinc/37/96/32/1020379632.db2.gz GKLDJHHHFYOJOI-UHFFFAOYSA-N 2 1 300.490 3.816 50 0 DHAAMP c1ccc2c(c1)oc1c2cccc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000826814922 1020728591 /nfs/dbraw/zinc/72/85/91/1020728591.db2.gz PZTIYCBGTNHPQY-QGFMHUBQSA-N 2 1 318.420 3.768 50 0 DHAAMP C[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002498489 1021106933 /nfs/dbraw/zinc/10/69/33/1021106933.db2.gz SGQHRGPXIXKVER-FXAWDEMLSA-N 2 1 300.490 3.862 50 0 DHAAMP C[N@@H+](Cc1cccs1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299770556 1023300801 /nfs/dbraw/zinc/30/08/01/1023300801.db2.gz TUZFSQQQCOKNAO-UHFFFAOYSA-N 2 1 316.470 3.511 50 0 DHAAMP [NH3+]CCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004891095 181168663 /nfs/dbraw/zinc/16/86/63/181168663.db2.gz ILJLWSUNJBOTCX-UHFFFAOYSA-N 2 1 316.448 3.917 50 0 DHAAMP c1cncc(C[NH+]2CCC([C@H]3CC[N@H+](C4CCCC4)C3)CC2)c1 ZINC000020599855 182236488 /nfs/dbraw/zinc/23/64/88/182236488.db2.gz OYNUKNCYOADSJC-IBGZPJMESA-N 2 1 313.489 3.558 50 0 DHAAMP Cc1cc(C)c(-n2cccc2C[NH2+]C2CC[NH+](C)CC2)c(C)c1 ZINC000022077801 182308587 /nfs/dbraw/zinc/30/85/87/182308587.db2.gz LUNRRXKMRNDRLW-UHFFFAOYSA-N 2 1 311.473 3.586 50 0 DHAAMP C[N@H+](C1CCCCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000003683200 257267388 /nfs/dbraw/zinc/26/73/88/257267388.db2.gz SUDQHQRIKPKQJK-UHFFFAOYSA-N 2 1 300.490 3.958 50 0 DHAAMP C[N@@H+](C1CCCCC1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000003683200 257267390 /nfs/dbraw/zinc/26/73/90/257267390.db2.gz SUDQHQRIKPKQJK-UHFFFAOYSA-N 2 1 300.490 3.958 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534658905 334315037 /nfs/dbraw/zinc/31/50/37/334315037.db2.gz UFTBJYFXYJLTQU-CQSZACIVSA-N 2 1 317.864 3.988 50 0 DHAAMP C[N@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001229372 563279929 /nfs/dbraw/zinc/27/99/29/563279929.db2.gz YJAPHQMARSMSQG-UHFFFAOYSA-N 2 1 308.469 3.826 50 0 DHAAMP C[N@@H+](Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000001229372 563279930 /nfs/dbraw/zinc/27/99/30/563279930.db2.gz YJAPHQMARSMSQG-UHFFFAOYSA-N 2 1 308.469 3.826 50 0 DHAAMP c1cn(CC2CC[NH+](CCc3ccccc3)CC2)c(C2CC2)[nH+]1 ZINC000071575591 563499656 /nfs/dbraw/zinc/49/96/56/563499656.db2.gz IUFQWYFDBPIDMG-UHFFFAOYSA-N 2 1 309.457 3.715 50 0 DHAAMP CCCCc1nc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c[nH]1 ZINC000072435820 563503371 /nfs/dbraw/zinc/50/33/71/563503371.db2.gz HJWFSOGZSDZKLG-AWEZNQCLSA-N 2 1 301.409 3.881 50 0 DHAAMP CCCCc1nc(CN2CC[C@H](c3ccccc3F)C2)c[nH]1 ZINC000072435820 563503373 /nfs/dbraw/zinc/50/33/73/563503373.db2.gz HJWFSOGZSDZKLG-AWEZNQCLSA-N 2 1 301.409 3.881 50 0 DHAAMP Oc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000097785519 563542529 /nfs/dbraw/zinc/54/25/29/563542529.db2.gz YROUJKKLHYWXNS-GOSISDBHSA-N 2 1 324.468 3.853 50 0 DHAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517194 563916636 /nfs/dbraw/zinc/91/66/36/563916636.db2.gz BVZYSOXWRMOXCQ-SJORKVTESA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517194 563916637 /nfs/dbraw/zinc/91/66/37/563916637.db2.gz BVZYSOXWRMOXCQ-SJORKVTESA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000252517194 563916638 /nfs/dbraw/zinc/91/66/38/563916638.db2.gz BVZYSOXWRMOXCQ-SJORKVTESA-N 2 1 306.881 3.831 50 0 DHAAMP Cc1cccc(N2CCC([NH2+][C@H](C)Cc3ccsc3)CC2)[nH+]1 ZINC000095422608 563931284 /nfs/dbraw/zinc/93/12/84/563931284.db2.gz SMAOTQLODVHPAH-OAHLLOKOSA-N 2 1 315.486 3.641 50 0 DHAAMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccs3)CC2)[nH+]1 ZINC000095422609 563931328 /nfs/dbraw/zinc/93/13/28/563931328.db2.gz GXXWZGVNHZLTBV-AWEZNQCLSA-N 2 1 301.459 3.771 50 0 DHAAMP C[C@H](NCc1ccc(Cl)cn1)c1cccc(-n2ccnc2)c1 ZINC000225547932 563938048 /nfs/dbraw/zinc/93/80/48/563938048.db2.gz DOTAZFWKZWLLEV-ZDUSSCGKSA-N 2 1 312.804 3.772 50 0 DHAAMP CCCc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670472259 563949094 /nfs/dbraw/zinc/94/90/94/563949094.db2.gz QYSDJSZDLDGFIZ-INIZCTEOSA-N 2 1 301.434 3.649 50 0 DHAAMP CCCc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)o1 ZINC000670472259 563949095 /nfs/dbraw/zinc/94/90/95/563949095.db2.gz QYSDJSZDLDGFIZ-INIZCTEOSA-N 2 1 301.434 3.649 50 0 DHAAMP Cc1[nH+]cn(CC[NH2+][C@@H](C)CCSc2ccc(F)cc2)c1C ZINC000821164267 1020240976 /nfs/dbraw/zinc/24/09/76/1020240976.db2.gz KLVLCEZSWXERHB-ZDUSSCGKSA-N 2 1 321.465 3.800 50 0 DHAAMP CC[NH+]1CCC2(CC1)C[N@H+](C1CCCC1)Cc1ccccc1O2 ZINC000257175904 1022186030 /nfs/dbraw/zinc/18/60/30/1022186030.db2.gz ABPAGEANGOTTFE-UHFFFAOYSA-N 2 1 314.473 3.678 50 0 DHAAMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095420537 185360118 /nfs/dbraw/zinc/36/01/18/185360118.db2.gz FPTSUFUMLOAPIM-KRWDZBQOSA-N 2 1 311.429 3.618 50 0 DHAAMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000095423139 193443363 /nfs/dbraw/zinc/44/33/63/193443363.db2.gz MWNBNBQKNRXTND-HXUWFJFHSA-N 2 1 309.457 3.787 50 0 DHAAMP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc(C)nc2c(C)cc(C)cc12 ZINC000020637726 182240586 /nfs/dbraw/zinc/24/05/86/182240586.db2.gz TZPGYAZFZKXLCB-UHFFFAOYSA-N 2 1 322.456 3.797 50 0 DHAAMP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc(C)nc2c(C)cc(C)cc12 ZINC000020637726 182240588 /nfs/dbraw/zinc/24/05/88/182240588.db2.gz TZPGYAZFZKXLCB-UHFFFAOYSA-N 2 1 322.456 3.797 50 0 DHAAMP CC(C)C[N@H+](Cc1ccccn1)CC1CC[NH+](C(C)C)CC1 ZINC000055211629 563472607 /nfs/dbraw/zinc/47/26/07/563472607.db2.gz GBWLVUKOHMINJK-UHFFFAOYSA-N 2 1 303.494 3.660 50 0 DHAAMP COc1ccc(F)cc1C[NH+]1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC000067805477 563491619 /nfs/dbraw/zinc/49/16/19/563491619.db2.gz OYSIQQLGGPRWPZ-UHFFFAOYSA-N 2 1 320.452 3.532 50 0 DHAAMP CC[C@@H]1CCC[N@H+]1Cc1ccccc1OCC[NH+]1CCCCC1 ZINC000244620005 563779186 /nfs/dbraw/zinc/77/91/86/563779186.db2.gz FKBCACRDGBTFQG-LJQANCHMSA-N 2 1 316.489 3.926 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000089735660 563911021 /nfs/dbraw/zinc/91/10/21/563911021.db2.gz IHRGBFSZQSDNIM-UHFFFAOYSA-N 2 1 301.409 3.633 50 0 DHAAMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000089735660 563911022 /nfs/dbraw/zinc/91/10/22/563911022.db2.gz IHRGBFSZQSDNIM-UHFFFAOYSA-N 2 1 301.409 3.633 50 0 DHAAMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000095423165 563931675 /nfs/dbraw/zinc/93/16/75/563931675.db2.gz KQFMKISPPPKERI-CYBMUJFWSA-N 2 1 314.458 3.932 50 0 DHAAMP CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000095967919 563933112 /nfs/dbraw/zinc/93/31/12/563933112.db2.gz IJUKCVZXSYRRCW-KRWDZBQOSA-N 2 1 307.482 3.528 50 0 DHAAMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960604 563948208 /nfs/dbraw/zinc/94/82/08/563948208.db2.gz BZPJZABACCAUGE-HNNXBMFYSA-N 2 1 322.497 3.698 50 0 DHAAMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960604 563948210 /nfs/dbraw/zinc/94/82/10/563948210.db2.gz BZPJZABACCAUGE-HNNXBMFYSA-N 2 1 322.497 3.698 50 0 DHAAMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000066960604 563948212 /nfs/dbraw/zinc/94/82/12/563948212.db2.gz BZPJZABACCAUGE-HNNXBMFYSA-N 2 1 322.497 3.698 50 0 DHAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759871 191026298 /nfs/dbraw/zinc/02/62/98/191026298.db2.gz JVKARXORRLXDAK-KRWDZBQOSA-N 2 1 304.453 3.565 50 0 DHAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071759871 191026301 /nfs/dbraw/zinc/02/63/01/191026301.db2.gz JVKARXORRLXDAK-KRWDZBQOSA-N 2 1 304.453 3.565 50 0 DHAAMP CC(C)Oc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000012322072 563713010 /nfs/dbraw/zinc/71/30/10/563713010.db2.gz ICSMDEAEGFZUBX-IBGZPJMESA-N 2 1 304.478 3.855 50 0 DHAAMP C[NH+]1CCN(c2cc(-c3ccccc3)[nH+]c3ccccc32)CC1 ZINC000000135717 563222276 /nfs/dbraw/zinc/22/22/76/563222276.db2.gz JZDZWTQFXWJFLK-UHFFFAOYSA-N 2 1 303.409 3.654 50 0 DHAAMP C[N@H+](CCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001229457 563280170 /nfs/dbraw/zinc/28/01/70/563280170.db2.gz PUNCBWXUZOUGTO-UHFFFAOYSA-N 2 1 308.469 3.826 50 0 DHAAMP C[N@@H+](CCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000001229457 563280173 /nfs/dbraw/zinc/28/01/73/563280173.db2.gz PUNCBWXUZOUGTO-UHFFFAOYSA-N 2 1 308.469 3.826 50 0 DHAAMP Cc1cccc(C[NH+]2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000002734820 563340731 /nfs/dbraw/zinc/34/07/31/563340731.db2.gz IKWJPDFXHXSQPP-QZTJIDSGSA-N 2 1 300.490 3.937 50 0 DHAAMP C[C@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414927 563481162 /nfs/dbraw/zinc/48/11/62/563481162.db2.gz ZIVXBPAXOUVBBE-RXVVDRJESA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@@H]([NH+](C)CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000096414927 563481163 /nfs/dbraw/zinc/48/11/63/563481163.db2.gz ZIVXBPAXOUVBBE-RXVVDRJESA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@@H]([N@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414927 563481166 /nfs/dbraw/zinc/48/11/66/563481166.db2.gz ZIVXBPAXOUVBBE-RXVVDRJESA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@H]1C[C@@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414927 563481168 /nfs/dbraw/zinc/48/11/68/563481168.db2.gz ZIVXBPAXOUVBBE-RXVVDRJESA-N 2 1 323.484 3.609 50 0 DHAAMP Cc1oc(-c2ccccc2C)nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000067654481 563488511 /nfs/dbraw/zinc/48/85/11/563488511.db2.gz OXBFYQSJTCHJGS-MRXNPFEDSA-N 2 1 313.445 3.519 50 0 DHAAMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000108494406 563688488 /nfs/dbraw/zinc/68/84/88/563688488.db2.gz JOLRAJSQTZKBJR-IPMKNSEASA-N 2 1 312.482 3.748 50 0 DHAAMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897263 563776672 /nfs/dbraw/zinc/77/66/72/563776672.db2.gz IRPLYMXOSLDCKE-FRYIKTPZSA-N 2 1 321.468 3.928 50 0 DHAAMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897263 563776675 /nfs/dbraw/zinc/77/66/75/563776675.db2.gz IRPLYMXOSLDCKE-FRYIKTPZSA-N 2 1 321.468 3.928 50 0 DHAAMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897262 563776691 /nfs/dbraw/zinc/77/66/91/563776691.db2.gz IRPLYMXOSLDCKE-FFGOWVMKSA-N 2 1 321.468 3.928 50 0 DHAAMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccn1 ZINC000240897262 563776692 /nfs/dbraw/zinc/77/66/92/563776692.db2.gz IRPLYMXOSLDCKE-FFGOWVMKSA-N 2 1 321.468 3.928 50 0 DHAAMP CC1(C)C[C@H](NC2CC[NH+](C3CC3)CC2)c2ccccc2O1 ZINC000095967056 563932868 /nfs/dbraw/zinc/93/28/68/563932868.db2.gz UBBBNDQTVXGESI-KRWDZBQOSA-N 2 1 300.446 3.505 50 0 DHAAMP Cc1[nH+]cn(CC[NH2+]Cc2ccc(OC3CCCC3)cc2)c1C ZINC000952974522 1032676156 /nfs/dbraw/zinc/67/61/56/1032676156.db2.gz VBBXHJOXMXYYMR-UHFFFAOYSA-N 2 1 313.445 3.611 50 0 DHAAMP c1cc2c(s1)CC[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000820414228 1020182573 /nfs/dbraw/zinc/18/25/73/1020182573.db2.gz XNUKTBQXQHUEPR-UHFFFAOYSA-N 2 1 318.511 3.964 50 0 DHAAMP c1cc2c(s1)CC[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000820414228 1020182585 /nfs/dbraw/zinc/18/25/85/1020182585.db2.gz XNUKTBQXQHUEPR-UHFFFAOYSA-N 2 1 318.511 3.964 50 0 DHAAMP Cc1nccn1CC[C@@H](C)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000823647205 1020434260 /nfs/dbraw/zinc/43/42/60/1020434260.db2.gz ITMWXBKNEGMAJV-OAHLLOKOSA-N 2 1 308.429 3.650 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H](C)[N@H+](C)Cc1ccc2ncccc2c1 ZINC000823647205 1020434262 /nfs/dbraw/zinc/43/42/62/1020434262.db2.gz ITMWXBKNEGMAJV-OAHLLOKOSA-N 2 1 308.429 3.650 50 0 DHAAMP Cc1[nH+]ccn1CC[C@@H](C)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000823647205 1020434265 /nfs/dbraw/zinc/43/42/65/1020434265.db2.gz ITMWXBKNEGMAJV-OAHLLOKOSA-N 2 1 308.429 3.650 50 0 DHAAMP C(C1CCCCC1)[N@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000039380370 183017038 /nfs/dbraw/zinc/01/70/38/183017038.db2.gz HXIXUXJXFJOYLZ-FQEVSTJZSA-N 2 1 320.521 3.534 50 0 DHAAMP C(C1CCCCC1)[NH+]1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000039380370 183017040 /nfs/dbraw/zinc/01/70/40/183017040.db2.gz HXIXUXJXFJOYLZ-FQEVSTJZSA-N 2 1 320.521 3.534 50 0 DHAAMP C(C1CCCCC1)[NH+]1CCC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000039380370 183017042 /nfs/dbraw/zinc/01/70/42/183017042.db2.gz HXIXUXJXFJOYLZ-FQEVSTJZSA-N 2 1 320.521 3.534 50 0 DHAAMP CC(C)c1[nH+]ccn1CCC[NH2+]CC[C@H](C)CCCC(C)(C)O ZINC000032508991 563442428 /nfs/dbraw/zinc/44/24/28/563442428.db2.gz ZAQKVFKBJUGSBP-QGZVFWFLSA-N 2 1 323.525 3.954 50 0 DHAAMP COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000055099638 563470944 /nfs/dbraw/zinc/47/09/44/563470944.db2.gz ASZXTKWSJUWJPA-HHXXYDBFSA-N 2 1 302.462 3.610 50 0 DHAAMP Cc1ccnc([C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C2CC2)c1 ZINC000067641111 563487722 /nfs/dbraw/zinc/48/77/22/563487722.db2.gz RUBCXXZCBUTVBL-IBGZPJMESA-N 2 1 301.478 3.551 50 0 DHAAMP Cc1ccc(NCCC[NH2+]Cc2ccc(Cl)c(F)c2)[nH+]c1 ZINC000952861061 1032664262 /nfs/dbraw/zinc/66/42/62/1032664262.db2.gz XNEJSCPUPVCASD-UHFFFAOYSA-N 2 1 307.800 3.774 50 0 DHAAMP CC[C@@H]1C=CC[N@H+]1Cc1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000952870030 1032667784 /nfs/dbraw/zinc/66/77/84/1032667784.db2.gz QHBNGEOCFYYQFF-GOSISDBHSA-N 2 1 302.462 3.687 50 0 DHAAMP CSc1cccc(C[NH2+]CCCn2cc[nH+]c2C(C)C)c1 ZINC000952976302 1032677911 /nfs/dbraw/zinc/67/79/11/1032677911.db2.gz KBXADJKNBODXPL-UHFFFAOYSA-N 2 1 303.475 3.908 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000575547597 1020975718 /nfs/dbraw/zinc/97/57/18/1020975718.db2.gz KLWJFKKXXREIBO-SFHVURJKSA-N 2 1 309.457 3.981 50 0 DHAAMP Cc1c[nH+]c(C2CC2)n1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000575547597 1020975723 /nfs/dbraw/zinc/97/57/23/1020975723.db2.gz KLWJFKKXXREIBO-SFHVURJKSA-N 2 1 309.457 3.981 50 0 DHAAMP C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000002498494 1021107151 /nfs/dbraw/zinc/10/71/51/1021107151.db2.gz SGQHRGPXIXKVER-PXNSSMCTSA-N 2 1 300.490 3.862 50 0 DHAAMP C/C=C(\C)C[N@@H+](CCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000015074094 1031569429 /nfs/dbraw/zinc/56/94/29/1031569429.db2.gz CWFXSUWQNJAGCQ-VXQLYJCQSA-N 2 1 300.490 3.839 50 0 DHAAMP C/C=C(\C)C[NH+](CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000015074094 1031569440 /nfs/dbraw/zinc/56/94/40/1031569440.db2.gz CWFXSUWQNJAGCQ-VXQLYJCQSA-N 2 1 300.490 3.839 50 0 DHAAMP C/C=C(\C)C[NH+](CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000015074094 1031569452 /nfs/dbraw/zinc/56/94/52/1031569452.db2.gz CWFXSUWQNJAGCQ-VXQLYJCQSA-N 2 1 300.490 3.839 50 0 DHAAMP Cc1cc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)cc(C)[nH+]1 ZINC000082097456 192354808 /nfs/dbraw/zinc/35/48/08/192354808.db2.gz PAIOTVHWEYPEBD-UHFFFAOYSA-N 2 1 310.445 3.689 50 0 DHAAMP Cc1ccccc1C[NH+]1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000004745692 181146580 /nfs/dbraw/zinc/14/65/80/181146580.db2.gz DJMARARVQRPHAU-CALCHBBNSA-N 2 1 300.490 3.937 50 0 DHAAMP Cc1ccccc1C[NH+]1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000004745692 181146582 /nfs/dbraw/zinc/14/65/82/181146582.db2.gz DJMARARVQRPHAU-CALCHBBNSA-N 2 1 300.490 3.937 50 0 DHAAMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)s1 ZINC000157955973 197230372 /nfs/dbraw/zinc/23/03/72/197230372.db2.gz REPOTKGBSUAJIM-OAHLLOKOSA-N 2 1 310.507 3.597 50 0 DHAAMP Cc1nc[nH]c1C[N@@H+]1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000072408261 257270939 /nfs/dbraw/zinc/27/09/39/257270939.db2.gz OJCIQHIFIPCNJT-LJQANCHMSA-N 2 1 312.461 3.507 50 0 DHAAMP c1cc([C@H]2CCCN2CC2=CSC3=NCCCN23)cs1 ZINC000101083870 563650239 /nfs/dbraw/zinc/65/02/39/563650239.db2.gz PTRTTXOLFUWIEO-CQSZACIVSA-N 2 1 305.472 3.535 50 0 DHAAMP COCC[N@H+](Cc1sccc1C)CC1CC[NH+](C(C)C)CC1 ZINC000055271101 563473709 /nfs/dbraw/zinc/47/37/09/563473709.db2.gz FVVQDULRHPWKOO-UHFFFAOYSA-N 2 1 324.534 3.625 50 0 DHAAMP C[C@@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@@H+]1Cc1ccccc1 ZINC000096414924 563480898 /nfs/dbraw/zinc/48/08/98/563480898.db2.gz ZIVXBPAXOUVBBE-WIYYLYMNSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@H]([NH+](C)CCc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000096414924 563480902 /nfs/dbraw/zinc/48/09/02/563480902.db2.gz ZIVXBPAXOUVBBE-WIYYLYMNSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@H]([N@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414924 563480906 /nfs/dbraw/zinc/48/09/06/563480906.db2.gz ZIVXBPAXOUVBBE-WIYYLYMNSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1C[C@H]([N@@H+](C)CCc2ccncc2)CC[NH+]1Cc1ccccc1 ZINC000096414924 563480909 /nfs/dbraw/zinc/48/09/09/563480909.db2.gz ZIVXBPAXOUVBBE-WIYYLYMNSA-N 2 1 323.484 3.609 50 0 DHAAMP C[C@@H]1CC[N@@H+](CCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000247628923 563530500 /nfs/dbraw/zinc/53/05/00/563530500.db2.gz NRJWNEASDKXHSH-NVXWUHKLSA-N 2 1 301.459 3.558 50 0 DHAAMP Oc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000097785520 563542792 /nfs/dbraw/zinc/54/27/92/563542792.db2.gz YROUJKKLHYWXNS-SFHVURJKSA-N 2 1 324.468 3.853 50 0 DHAAMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375355 563885808 /nfs/dbraw/zinc/88/58/08/563885808.db2.gz BVZYSOXWRMOXCQ-IAGOWNOFSA-N 2 1 306.881 3.831 50 0 DHAAMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000089375355 563885810 /nfs/dbraw/zinc/88/58/10/563885810.db2.gz BVZYSOXWRMOXCQ-IAGOWNOFSA-N 2 1 306.881 3.831 50 0 DHAAMP COC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000095967338 563932940 /nfs/dbraw/zinc/93/29/40/563932940.db2.gz ACYKIMAWCDSNIC-KRWDZBQOSA-N 2 1 318.505 3.753 50 0 DHAAMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])Nc1ccccc1 ZINC000057888027 563943197 /nfs/dbraw/zinc/94/31/97/563943197.db2.gz XKWHQRDXWOIZHX-UHFFFAOYSA-N 2 1 310.445 3.663 50 0 DHAAMP