smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O)C[NH+](C[C@@H](C)O)C1CCN(CCc2ccccc2)CC1 ZINC000821209094 758145584 /nfs/dbraw/zinc/14/55/84/758145584.db2.gz OUGPJUCCLCSTCP-IAGOWNOFSA-N 2 0 320.477 1.757 50 0 DDAARP Cn1cc(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000952849790 775571815 /nfs/dbraw/zinc/57/18/15/775571815.db2.gz QGGLWHMILRFVNI-CRAIPNDOSA-N 3 0 319.497 1.249 50 0 DDAARP CC[N@@H+]1CCC[C@H]1Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072480970 191180677 /nfs/dbraw/zinc/18/06/77/191180677.db2.gz AIJNNZYRUJHNJQ-AWEZNQCLSA-N 2 0 314.437 1.724 50 0 DDAARP O=C(CC[NH+]1CCCCCCC1)NCC[NH+]1CCC(O)CC1 ZINC000063845765 407236018 /nfs/dbraw/zinc/23/60/18/407236018.db2.gz BFAWTEIRPVRSSX-UHFFFAOYSA-N 2 0 311.470 1.216 50 0 DDAARP C[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385736 407309440 /nfs/dbraw/zinc/30/94/40/407309440.db2.gz UCCIGPJBAHWHOJ-HZPDHXFCSA-N 2 0 306.454 1.374 50 0 DDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000124857141 407371696 /nfs/dbraw/zinc/37/16/96/407371696.db2.gz VDVRPDWNBICBRL-OAHLLOKOSA-N 2 0 316.449 1.262 50 0 DDAARP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@@H]2CC[NH2+]C2)s1 ZINC000215435440 407485249 /nfs/dbraw/zinc/48/52/49/407485249.db2.gz NNUFYNKEQRDSGK-AWEZNQCLSA-N 2 0 309.479 1.946 50 0 DDAARP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000253408191 408814583 /nfs/dbraw/zinc/81/45/83/408814583.db2.gz YOARIKUIZDUNMN-ZNMIVQPWSA-N 2 0 311.470 1.020 50 0 DDAARP NC(=O)[C@@H]1C[N@@H+](C2CCSCC2)C[C@H]1COc1ccncc1 ZINC000253412263 408814734 /nfs/dbraw/zinc/81/47/34/408814734.db2.gz QKIDQFBLMCNOJI-SWLSCSKDSA-N 2 0 321.446 1.389 50 0 DDAARP Cc1ccc(C[N@@H+]2C[C@@H](COc3ccncc3)[C@H](C(N)=O)C2)o1 ZINC000253403296 408814941 /nfs/dbraw/zinc/81/49/41/408814941.db2.gz HBHODGZLZCHVGW-XJKSGUPXSA-N 2 0 315.373 1.595 50 0 DDAARP Cc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C[C@H]3O)CC2)cc1Cl ZINC000426596620 419514091 /nfs/dbraw/zinc/51/40/91/419514091.db2.gz PHBNFGREOGJXOU-IAGOWNOFSA-N 2 0 323.868 1.930 50 0 DDAARP Cc1cc(NCC2([NH+](C)C)CCCC2)nc(N2CCOCC2)[nH+]1 ZINC000584902567 422302756 /nfs/dbraw/zinc/30/27/56/422302756.db2.gz KCQTXJCSEFDVNX-UHFFFAOYSA-N 2 0 319.453 1.908 50 0 DDAARP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178980286 298143277 /nfs/dbraw/zinc/14/32/77/298143277.db2.gz DPVZJMYAIKCLSM-OAHLLOKOSA-N 2 0 322.497 1.051 50 0 DDAARP CC1(C)CCC[NH2+][C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333391533 535296513 /nfs/dbraw/zinc/29/65/13/535296513.db2.gz OXESSTCXHPIOMB-IXDOHACOSA-N 2 0 315.461 1.966 50 0 DDAARP CCc1cc(NC[C@@H]2C[NH2+]CCOC2)nc(N2CCCCC2)[nH+]1 ZINC000072144860 696393338 /nfs/dbraw/zinc/39/33/38/696393338.db2.gz BXFGEIGWYMUTAC-AWEZNQCLSA-N 2 0 319.453 1.677 50 0 DDAARP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CC[N@@H+]1C1CC1 ZINC000888100209 709213626 /nfs/dbraw/zinc/21/36/26/709213626.db2.gz XAKBRFQJLDFSEA-IRXDYDNUSA-N 2 0 320.481 1.929 50 0 DDAARP O=c1[nH]c2ccccc2cc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069739614 190810125 /nfs/dbraw/zinc/81/01/25/190810125.db2.gz FTIDDMOLGIZOPT-UHFFFAOYSA-N 2 0 315.417 1.734 50 0 DDAARP C[C@@H]1CCCC[N@@H+]1C1CN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072418348 191156664 /nfs/dbraw/zinc/15/66/64/191156664.db2.gz BSCZYPVCDVOVFM-CYBMUJFWSA-N 2 0 301.438 1.228 50 0 DDAARP Cc1ncc2c(c1CNC(=O)[C@H]1CC13CC[NH2+]CC3)CC[NH2+]C2 ZINC000072478023 191180224 /nfs/dbraw/zinc/18/02/24/191180224.db2.gz SDKLIFTUWBZFHG-MRXNPFEDSA-N 2 0 314.433 1.042 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]CCC(=O)NC2CCCC2)CC1 ZINC000075602859 353369993 /nfs/dbraw/zinc/36/99/93/353369993.db2.gz YABNYXMHQSDRLP-AWEZNQCLSA-N 2 0 311.470 1.118 50 0 DDAARP CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000584889673 354792667 /nfs/dbraw/zinc/79/26/67/354792667.db2.gz UVPANOUVCZTXBW-HNNXBMFYSA-N 2 0 311.470 1.166 50 0 DDAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000012307769 181748041 /nfs/dbraw/zinc/74/80/41/181748041.db2.gz WCNMPBXVEDGLSX-UHFFFAOYSA-N 2 0 318.465 1.752 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)CC1 ZINC000019885672 182160830 /nfs/dbraw/zinc/16/08/30/182160830.db2.gz QYNZLWAIULROHW-JZXOWHBKSA-N 2 0 307.482 1.249 50 0 DDAARP C[NH+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000020100526 182186929 /nfs/dbraw/zinc/18/69/29/182186929.db2.gz KNSSQUHHXSVLNY-UHFFFAOYSA-N 2 0 303.450 1.967 50 0 DDAARP C[C@@H]1C[N@@H+](CCC(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000067435224 407274226 /nfs/dbraw/zinc/27/42/26/407274226.db2.gz TTXOQKFUZLLLBO-OWCLPIDISA-N 2 0 311.470 1.334 50 0 DDAARP Cc1cc[nH+]c(NCCNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)c1 ZINC000244574871 407927933 /nfs/dbraw/zinc/92/79/33/407927933.db2.gz CSTHTPXAIDOJBM-TXEJJXNPSA-N 2 0 314.393 1.525 50 0 DDAARP Cc1ncc2c(c1CNC(=O)C[NH+]1CCCCC1)CC[NH2+]C2 ZINC000299782444 410623229 /nfs/dbraw/zinc/62/32/29/410623229.db2.gz SXDNGICKURNZAA-UHFFFAOYSA-N 2 0 302.422 1.138 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000299738648 229368750 /nfs/dbraw/zinc/36/87/50/229368750.db2.gz DMIWIFRKSFNVRP-YCPHGPKFSA-N 2 0 302.422 1.018 50 0 DDAARP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)COCc1ccccc1 ZINC000083877895 192389318 /nfs/dbraw/zinc/38/93/18/192389318.db2.gz UPNUVZDCVWTFNC-ROUUACIJSA-N 2 0 306.450 1.980 50 0 DDAARP c1cc(OC[C@@H]2CCC[NH2+]C2)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000601012655 358382591 /nfs/dbraw/zinc/38/25/91/358382591.db2.gz VHVXWXOKOLERDK-ZIAGYGMSSA-N 2 0 306.410 1.233 50 0 DDAARP O=C(NCC[NH+]1CCCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000216459722 407494679 /nfs/dbraw/zinc/49/46/79/407494679.db2.gz WLZRWLLLUKFEJZ-QGZVFWFLSA-N 2 0 301.434 1.979 50 0 DDAARP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000191340918 408411029 /nfs/dbraw/zinc/41/10/29/408411029.db2.gz LWMJWCFBWQATAY-SJORKVTESA-N 2 0 301.434 1.991 50 0 DDAARP CCCCc1c(C)[nH+]c(N)nc1N1CC[C@@H](C[NH+](C)C)[C@H](O)C1 ZINC000091657145 276244011 /nfs/dbraw/zinc/24/40/11/276244011.db2.gz PXLNLEXICNPJCP-DZGCQCFKSA-N 2 0 321.469 1.459 50 0 DDAARP CCn1cc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000169787268 697345962 /nfs/dbraw/zinc/34/59/62/697345962.db2.gz HBJRRBKNRACMTI-QGZVFWFLSA-N 2 0 318.465 1.980 50 0 DDAARP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C\C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000886000448 708679448 /nfs/dbraw/zinc/67/94/48/708679448.db2.gz ILXKADWHYPCQNI-BUCQZMPKSA-N 2 0 310.482 1.728 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000952985933 721532508 /nfs/dbraw/zinc/53/25/08/721532508.db2.gz BYMJJBCDLRNGDY-KRWDZBQOSA-N 2 0 307.482 1.417 50 0 DDAARP Cn1ccnc1CCC[N@H+](C)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072134538 191047140 /nfs/dbraw/zinc/04/71/40/191047140.db2.gz TYTSMLSYPVCQAW-UHFFFAOYSA-N 2 0 302.426 1.175 50 0 DDAARP O=C(NCCSc1ccccn1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072138735 191047956 /nfs/dbraw/zinc/04/79/56/191047956.db2.gz XIGPLIUOQVMLFX-CYBMUJFWSA-N 2 0 320.462 1.022 50 0 DDAARP CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000195554269 354296899 /nfs/dbraw/zinc/29/68/99/354296899.db2.gz ODHVPDSZISEVSY-HOTGVXAUSA-N 2 0 310.486 1.132 50 0 DDAARP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000237426220 202262848 /nfs/dbraw/zinc/26/28/48/202262848.db2.gz HLIFBWOZVIGDIG-GJZGRUSLSA-N 2 0 319.449 1.826 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000069901366 406788899 /nfs/dbraw/zinc/78/88/99/406788899.db2.gz ZOFQGNIZSAWZFA-AWEZNQCLSA-N 2 0 319.449 1.310 50 0 DDAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014753679 406877512 /nfs/dbraw/zinc/87/75/12/406877512.db2.gz VTZLBJOWNBDVDJ-UHFFFAOYSA-N 2 0 324.469 1.323 50 0 DDAARP C[C@@H]1C[C@H](Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000097034041 407276256 /nfs/dbraw/zinc/27/62/56/407276256.db2.gz BOCJQDLNPGIMHA-DOMZBBRYSA-N 2 0 316.449 1.884 50 0 DDAARP CC(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](c3cc(=O)[nH]cn3)C2)CC1 ZINC000222488820 407557745 /nfs/dbraw/zinc/55/77/45/407557745.db2.gz OCDOQRJOTYPBMY-OTVXOJSOSA-N 2 0 304.438 1.726 50 0 DDAARP C[N@H+](CCCNc1cc(C2CC([NH3+])C2)nc(N)n1)C1CCCC1 ZINC000223880254 407573887 /nfs/dbraw/zinc/57/38/87/407573887.db2.gz CKZBBCWUFUAMMB-UHFFFAOYSA-N 2 0 318.469 1.940 50 0 DDAARP CC(C)[N@@H+]1CCO[C@H](CN2CCN(Cc3ccncc3)CC2)C1 ZINC000130389780 407683903 /nfs/dbraw/zinc/68/39/03/407683903.db2.gz KYEHTEKTRYWDAI-GOSISDBHSA-N 2 0 318.465 1.308 50 0 DDAARP CN(CC[N@H+](C)C1CCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244852823 407941650 /nfs/dbraw/zinc/94/16/50/407941650.db2.gz UZQQXPJMZXGELN-BETUJISGSA-N 2 0 318.469 1.574 50 0 DDAARP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C[NH2+]CCCO ZINC000004046843 281098937 /nfs/dbraw/zinc/09/89/37/281098937.db2.gz YVHMDUOTURLDTR-RDJZCZTQSA-N 2 0 317.433 1.101 50 0 biogenic DDAARP O=C(C[C@@H]1C[NH2+]CCO1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000534590848 334294431 /nfs/dbraw/zinc/29/44/31/334294431.db2.gz ONULGIQKXCCKPX-OAHLLOKOSA-N 2 0 309.454 1.280 50 0 DDAARP C[C@H](CCn1cccn1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000670439092 484829832 /nfs/dbraw/zinc/82/98/32/484829832.db2.gz NWUSMTABHJRNJU-MRXNPFEDSA-N 2 0 306.454 1.706 50 0 DDAARP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCNC1=O ZINC000092821605 185343903 /nfs/dbraw/zinc/34/39/03/185343903.db2.gz PHWLKNCIMVYSOQ-INIZCTEOSA-N 2 0 302.422 1.508 50 0 DDAARP Cc1nn(CCO)cc1C[NH+]1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072469732 191175424 /nfs/dbraw/zinc/17/54/24/191175424.db2.gz IGTPURTXRKGYGA-MRXNPFEDSA-N 2 0 320.481 1.880 50 0 DDAARP c1cn(CCC[NH+]2CCCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072479301 191179623 /nfs/dbraw/zinc/17/96/23/191179623.db2.gz RWSKVFXNBDGCGC-UHFFFAOYSA-N 2 0 314.437 1.726 50 0 DDAARP CC[NH+](CC)C[C@@H](O)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000058078776 184073377 /nfs/dbraw/zinc/07/33/77/184073377.db2.gz KREUHZLWRFCVJP-IBGZPJMESA-N 2 0 319.493 1.943 50 0 DDAARP Cc1nc(NCC[N@@H+]2CCC[C@H](O)C2)cc(C2CC[NH2+]CC2)n1 ZINC000067847545 407287128 /nfs/dbraw/zinc/28/71/28/407287128.db2.gz QVEGCGBGYIBMQE-HNNXBMFYSA-N 2 0 319.453 1.121 50 0 DDAARP Cc1nccn1CC[N@@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000244734888 407933764 /nfs/dbraw/zinc/93/37/64/407933764.db2.gz NNNAYAOZROWQTH-AWEZNQCLSA-N 2 0 301.394 1.534 50 0 DDAARP CN(Cc1cnc2ccccc2n1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000252508675 408801849 /nfs/dbraw/zinc/80/18/49/408801849.db2.gz XQROVDZJKOSAEA-ZDUSSCGKSA-N 2 0 301.394 1.045 50 0 DDAARP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CO)o1)C2 ZINC000685940606 539564638 /nfs/dbraw/zinc/56/46/38/539564638.db2.gz DIOCTZXYNNXHAP-WCXIOVBPSA-N 2 0 308.422 1.341 50 0 DDAARP C[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000237290738 202217846 /nfs/dbraw/zinc/21/78/46/202217846.db2.gz KLBSZRXXZVAEJC-OAHLLOKOSA-N 2 0 318.421 1.011 50 0 DDAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069813343 406775666 /nfs/dbraw/zinc/77/56/66/406775666.db2.gz LGJGXECJLUCRIM-ZIAGYGMSSA-N 2 0 307.442 1.023 50 0 DDAARP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819565 406846396 /nfs/dbraw/zinc/84/63/96/406846396.db2.gz YLDFMEMBSLHUDE-UHFFFAOYSA-N 2 0 307.486 1.823 50 0 DDAARP O[C@]1(C[NH2+]CCSCc2cccc(Cl)c2)CC[NH2+]C1 ZINC000077437468 406991287 /nfs/dbraw/zinc/99/12/87/406991287.db2.gz NOUBQCJOVYJBQX-CQSZACIVSA-N 2 0 300.855 1.887 50 0 DDAARP C[C@@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)C[NH+]1CCCC1 ZINC000097104574 407280360 /nfs/dbraw/zinc/28/03/60/407280360.db2.gz NFUZGVXXOMQIED-LBPRGKRZSA-N 2 0 301.398 1.388 50 0 DDAARP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067787228 407284437 /nfs/dbraw/zinc/28/44/37/407284437.db2.gz XBRUDCOAMLLIPQ-CYBMUJFWSA-N 2 0 306.410 1.111 50 0 DDAARP C[NH+]1CCC2(CCCN2C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000331683340 409765886 /nfs/dbraw/zinc/76/58/86/409765886.db2.gz ROIJPUOJVHQCFW-LLVKDONJSA-N 2 0 322.375 1.536 50 0 DDAARP CO[C@H]1C[N@H+](C)C[C@@H]1Nc1nc(N(C)C)nc2c1CCCC2 ZINC000534649991 416505810 /nfs/dbraw/zinc/50/58/10/416505810.db2.gz BCQQKSTZOMFRAL-KBPBESRZSA-N 2 0 305.426 1.162 50 0 DDAARP O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000426392821 419456421 /nfs/dbraw/zinc/45/64/21/419456421.db2.gz NKNHGGGUDMXJNA-QGZVFWFLSA-N 2 0 316.449 1.513 50 0 DDAARP CN(CC(=O)N[C@H]1COC2(C1)CCCCC2)C1CC[NH2+]CC1 ZINC000534675211 334319861 /nfs/dbraw/zinc/31/98/61/334319861.db2.gz IDUJVGIDYFWZKY-CQSZACIVSA-N 2 0 309.454 1.278 50 0 DDAARP COCC[N@@H+]1CC[C@@H](C[NH+](C)C2CSCCSC2)C1 ZINC000670454626 484841916 /nfs/dbraw/zinc/84/19/16/484841916.db2.gz KQOUBYQYKMKFIT-ZDUSSCGKSA-N 2 0 304.525 1.735 50 0 DDAARP C[NH+]1CCC(O)(C(=O)N[C@H](C[NH+]2CCCC2)C(C)(C)C)CC1 ZINC000823759651 758349415 /nfs/dbraw/zinc/34/94/15/758349415.db2.gz ZUVLYHSUNMFDBY-CQSZACIVSA-N 2 0 311.470 1.070 50 0 DDAARP C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000585116645 771949896 /nfs/dbraw/zinc/94/98/96/771949896.db2.gz DHYNKJNLSLQHGZ-CYGHRXIMSA-N 2 0 306.450 1.713 50 0 DDAARP O[C@@H](COc1cccc(C[NH+]2CCC2)c1)C[NH+]1CCC(O)CC1 ZINC000095497395 185374478 /nfs/dbraw/zinc/37/44/78/185374478.db2.gz RSGHNGCGYIEMCB-QGZVFWFLSA-N 2 0 320.433 1.089 50 0 DDAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC2)ccc1OC ZINC000095502348 185374918 /nfs/dbraw/zinc/37/49/18/185374918.db2.gz MYGNSRPDMHIREL-MRXNPFEDSA-N 2 0 322.449 1.982 50 0 DDAARP C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072138829 191048280 /nfs/dbraw/zinc/04/82/80/191048280.db2.gz YFPVYUOIDVMNTQ-KRWDZBQOSA-N 2 0 303.454 1.294 50 0 DDAARP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163853368 186140471 /nfs/dbraw/zinc/14/04/71/186140471.db2.gz RAMWIQTYCPZZDN-QGZVFWFLSA-N 2 0 317.433 1.277 50 0 DDAARP CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195554263 354296848 /nfs/dbraw/zinc/29/68/48/354296848.db2.gz ODHVPDSZISEVSY-HZPDHXFCSA-N 2 0 310.486 1.132 50 0 DDAARP C[NH+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCCC2)C[C@@H]1O ZINC000584900110 354799690 /nfs/dbraw/zinc/79/96/90/354799690.db2.gz MWECHTMWDUAQOD-HOTGVXAUSA-N 2 0 311.470 1.166 50 0 DDAARP CC[NH+](CC)CCSCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000076060987 191564369 /nfs/dbraw/zinc/56/43/69/191564369.db2.gz RRUQQDYNYLIZJF-UHFFFAOYSA-N 2 0 315.527 1.910 50 0 DDAARP C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237428080 202262035 /nfs/dbraw/zinc/26/20/35/202262035.db2.gz LQEDFMKZMZESHW-IIAWOOMASA-N 2 0 302.422 1.414 50 0 DDAARP Cc1ccc(C[NH+]2C[C@H](CO)[C@H](CN3CCC[N@@H+](C)CC3)C2)o1 ZINC000091708078 193094645 /nfs/dbraw/zinc/09/46/45/193094645.db2.gz BKPQIHHTKAADSB-IAGOWNOFSA-N 2 0 321.465 1.266 50 0 DDAARP CCc1ccc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000092107779 193160697 /nfs/dbraw/zinc/16/06/97/193160697.db2.gz NBEMESUNXGMGOP-MSOLQXFVSA-N 2 0 318.461 1.940 50 0 DDAARP COc1cccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC000069329683 406698518 /nfs/dbraw/zinc/69/85/18/406698518.db2.gz KMHDUVMQCVEWFY-AWEZNQCLSA-N 2 0 322.449 1.886 50 0 DDAARP C[N@H+](C[C@@H](O)c1ccc(F)cc1)CC1CC[NH+](CCO)CC1 ZINC000069950522 406793557 /nfs/dbraw/zinc/79/35/57/406793557.db2.gz LCNBISBKUNEZNM-QGZVFWFLSA-N 2 0 310.413 1.495 50 0 DDAARP [NH3+]C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCO1 ZINC000067833909 407286102 /nfs/dbraw/zinc/28/61/02/407286102.db2.gz RDYAILWQJUMTJT-AWEZNQCLSA-N 2 0 309.479 1.894 50 0 DDAARP COCC[N@@H+](Cc1ccc2c(c1)OCO2)CC1CC[NH2+]CC1 ZINC000178972847 407680324 /nfs/dbraw/zinc/68/03/24/407680324.db2.gz RUDJFUWGCIBGRB-UHFFFAOYSA-N 2 0 306.406 1.863 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237606693 407830343 /nfs/dbraw/zinc/83/03/43/407830343.db2.gz JMAMDVXENUFRLI-IYBDPMFKSA-N 2 0 322.497 1.275 50 0 DDAARP CCn1cc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000169787267 697346036 /nfs/dbraw/zinc/34/60/36/697346036.db2.gz HBJRRBKNRACMTI-KRWDZBQOSA-N 2 0 318.465 1.980 50 0 DDAARP CC[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)[N@H+](C)CC ZINC000822544828 758221582 /nfs/dbraw/zinc/22/15/82/758221582.db2.gz GOLCKMPKPHSHCT-OAHLLOKOSA-N 2 0 313.511 1.757 50 0 DDAARP CN1CCN(C)[C@@H](C[NH2+]Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000221968369 539265344 /nfs/dbraw/zinc/26/53/44/539265344.db2.gz ZVPDFLIIYWCPAU-LBPRGKRZSA-N 2 0 317.355 1.763 50 0 DDAARP CCN(Cc1ccncc1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165245 191065471 /nfs/dbraw/zinc/06/54/71/191065471.db2.gz IYQMIFMCTDGKBO-HNNXBMFYSA-N 2 0 302.422 1.162 50 0 DDAARP C[NH+](C)[C@@H]1CCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072159099 191062135 /nfs/dbraw/zinc/06/21/35/191062135.db2.gz GNJMPCFZIRUWDZ-CYBMUJFWSA-N 2 0 310.405 1.282 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000019359207 182118179 /nfs/dbraw/zinc/11/81/79/182118179.db2.gz DEAKTPPCAJVSLM-UHFFFAOYSA-N 2 0 309.498 1.784 50 0 DDAARP CCNC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065605615 184371443 /nfs/dbraw/zinc/37/14/43/184371443.db2.gz GQJMORUKUBVPOR-GJZGRUSLSA-N 2 0 311.470 1.334 50 0 DDAARP CSC[C@H](C)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012196885 406838896 /nfs/dbraw/zinc/83/88/96/406838896.db2.gz DOUMKORXDQWLFY-AWEZNQCLSA-N 2 0 315.527 1.908 50 0 DDAARP C[NH+](C)CCNC(=O)CCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012575388 406848160 /nfs/dbraw/zinc/84/81/60/406848160.db2.gz VBKGRVSVVHHROK-OAHLLOKOSA-N 2 0 313.511 1.662 50 0 DDAARP C[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385717 407309401 /nfs/dbraw/zinc/30/94/01/407309401.db2.gz UCCIGPJBAHWHOJ-HOTGVXAUSA-N 2 0 306.454 1.374 50 0 DDAARP C[C@H]1C[C@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560160 407829855 /nfs/dbraw/zinc/82/98/55/407829855.db2.gz AXSZTKLWLYAVCG-GOEBONIOSA-N 2 0 301.434 1.989 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000299740170 410604289 /nfs/dbraw/zinc/60/42/89/410604289.db2.gz WOLCXAMZOAZHES-YYIAUSFCSA-N 2 0 322.497 1.131 50 0 DDAARP CCc1cc(N[C@H]2C[N@H+](C)C[C@@H]2OC)nc(N2CCCC2)[nH+]1 ZINC000534587390 416507231 /nfs/dbraw/zinc/50/72/31/416507231.db2.gz RYYRTDQTXHLPKT-KBPBESRZSA-N 2 0 305.426 1.380 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000299740332 229375411 /nfs/dbraw/zinc/37/54/11/229375411.db2.gz YOCSFGNHNNYQQJ-KYJSFNMBSA-N 2 0 316.449 1.408 50 0 DDAARP Cc1ccccc1[C@@H](CNC(=O)C1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000097594854 302129390 /nfs/dbraw/zinc/12/93/90/302129390.db2.gz SETZMNWANQEGTC-MRXNPFEDSA-N 2 0 319.449 1.171 50 0 DDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000236873926 202046226 /nfs/dbraw/zinc/04/62/26/202046226.db2.gz CIGYGVJFNJJEPP-YOEHRIQHSA-N 2 0 301.434 1.501 50 0 DDAARP Cc1ccc(C[N@@H+]2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)o1 ZINC000091574983 193074668 /nfs/dbraw/zinc/07/46/68/193074668.db2.gz LGWDSKJFLYUTDB-SFHVURJKSA-N 2 0 322.449 1.883 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccncc1 ZINC000058268195 285280859 /nfs/dbraw/zinc/28/08/59/285280859.db2.gz FMQZMUFRAOBHLF-INIZCTEOSA-N 2 0 304.438 1.570 50 0 DDAARP O=S1(=O)CC[C@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067803191 296490944 /nfs/dbraw/zinc/49/09/44/296490944.db2.gz MOUSMWMVMLMVGK-CYBMUJFWSA-N 2 0 300.468 1.323 50 0 DDAARP COc1cccc(CN2CC[NH2+]CC2)c1OCCC[NH+](C)C ZINC000223143707 407565977 /nfs/dbraw/zinc/56/59/77/407565977.db2.gz RRZOJXVLFWFYDS-UHFFFAOYSA-N 2 0 307.438 1.431 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069511869 406726621 /nfs/dbraw/zinc/72/66/21/406726621.db2.gz LYEUXLHFGSUWFN-MLGOLLRUSA-N 2 0 323.412 1.035 50 0 DDAARP [NH3+]CCC(=O)NCC[C@@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC000071278645 406836185 /nfs/dbraw/zinc/83/61/85/406836185.db2.gz SWTTYFDFOZUXMK-MRXNPFEDSA-N 2 0 311.470 1.655 50 0 DDAARP COCC[NH+]1CCC(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)CC1 ZINC000067605675 407277574 /nfs/dbraw/zinc/27/75/74/407277574.db2.gz QRIXOZHQEVSAID-UHFFFAOYSA-N 3 0 309.498 1.763 50 0 DDAARP C[C@@H](CCC(=O)Nc1cnc2n1CCCC2)[NH+]1CCN(C)CC1 ZINC000067872774 407288363 /nfs/dbraw/zinc/28/83/63/407288363.db2.gz PCJRTBALFJMNNY-AWEZNQCLSA-N 2 0 319.453 1.574 50 0 DDAARP O[C@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000107123987 407369798 /nfs/dbraw/zinc/36/97/98/407369798.db2.gz SIVWHCUBGGWWQT-LJQANCHMSA-N 2 0 317.477 1.351 50 0 DDAARP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000216280770 407493866 /nfs/dbraw/zinc/49/38/66/407493866.db2.gz BVVGDQOGVLVDFY-CQSZACIVSA-N 2 0 323.462 1.207 50 0 DDAARP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000242288056 407915875 /nfs/dbraw/zinc/91/58/75/407915875.db2.gz YKTMNJLGTYAWSW-QAETUUGQSA-N 2 0 321.465 1.088 50 0 DDAARP CN(CC[N@H+](C)C1CCCC1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244595033 407928440 /nfs/dbraw/zinc/92/84/40/407928440.db2.gz DNKHZBAFYQOBND-OKILXGFUSA-N 2 0 320.485 1.326 50 0 DDAARP O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000426392820 419457585 /nfs/dbraw/zinc/45/75/85/419457585.db2.gz NKNHGGGUDMXJNA-KRWDZBQOSA-N 2 0 316.449 1.513 50 0 DDAARP Cc1nccn1CCC[N@@H+]1CCC[C@H](c2ccn(CCO)n2)C1 ZINC000426641334 419519473 /nfs/dbraw/zinc/51/94/73/419519473.db2.gz GJUJENSKCQUCLW-INIZCTEOSA-N 2 0 317.437 1.650 50 0 DDAARP NC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067676310 696362984 /nfs/dbraw/zinc/36/29/84/696362984.db2.gz GAGGCFNBPOFXGF-KRWDZBQOSA-N 2 0 315.461 1.985 50 0 DDAARP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000082991703 539168189 /nfs/dbraw/zinc/16/81/89/539168189.db2.gz RHCYDGVPSASHJJ-KRWDZBQOSA-N 2 0 323.481 1.573 50 0 DDAARP O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082096682 192355177 /nfs/dbraw/zinc/35/51/77/192355177.db2.gz BSSAYCLLWIDTBQ-KRWDZBQOSA-N 2 0 315.461 1.809 50 0 DDAARP CN(C)c1nc2c(c(NCC[C@@H]3CCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000072169720 191068152 /nfs/dbraw/zinc/06/81/52/191068152.db2.gz VKZFVSOURFUIPQ-LBPRGKRZSA-N 2 0 304.442 1.085 50 0 DDAARP C[NH+]1CCC(OCCCNc2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072462952 191172440 /nfs/dbraw/zinc/17/24/40/191172440.db2.gz DGBCHUPANYHWAI-UHFFFAOYSA-N 2 0 319.453 1.078 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000237607184 202302920 /nfs/dbraw/zinc/30/29/20/202302920.db2.gz YLYJPPMTEIWCSK-DAYGRLMNSA-N 2 0 322.497 1.131 50 0 DDAARP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237615230 202306393 /nfs/dbraw/zinc/30/63/93/202306393.db2.gz XDWZOYODWRYESM-UXLLHSPISA-N 2 0 323.481 1.476 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530383 201398412 /nfs/dbraw/zinc/39/84/12/201398412.db2.gz WKZBOISOMNVTJA-CVEARBPZSA-N 2 0 311.470 1.070 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069511867 184521351 /nfs/dbraw/zinc/52/13/51/184521351.db2.gz LYEUXLHFGSUWFN-BLLLJJGKSA-N 2 0 323.412 1.035 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000069368558 406703817 /nfs/dbraw/zinc/70/38/17/406703817.db2.gz SECQZVZDWOIASV-UHFFFAOYSA-N 2 0 320.433 1.642 50 0 DDAARP CC(C)[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000096444012 407267842 /nfs/dbraw/zinc/26/78/42/407267842.db2.gz GYKIBZPTMNXIPW-ZBFHGGJFSA-N 2 0 308.470 1.737 50 0 DDAARP CN(Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1)CC1(CO)CCC1 ZINC000240128304 407907410 /nfs/dbraw/zinc/90/74/10/407907410.db2.gz IPMBZQWUVBNCND-BETUJISGSA-N 2 0 319.453 1.412 50 0 DDAARP C[C@@H]([NH3+])C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269276492 408250187 /nfs/dbraw/zinc/25/01/87/408250187.db2.gz XLQUFWXWDGZVQP-DLTWYDFYSA-N 2 0 303.450 1.949 50 0 DDAARP CC1(C)CCC[NH2+][C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333391532 410520109 /nfs/dbraw/zinc/52/01/09/410520109.db2.gz OXESSTCXHPIOMB-IKGGRYGDSA-N 2 0 315.461 1.966 50 0 DDAARP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000252467640 222243986 /nfs/dbraw/zinc/24/39/86/222243986.db2.gz XMDUQYUZWNVHBN-RBSFLKMASA-N 2 0 323.481 1.475 50 0 DDAARP Cc1cc(C)c(CN2C[C@@H]3CC[NH2+][C@@H]3C2)cc1Cn1cncn1 ZINC000426581039 419510736 /nfs/dbraw/zinc/51/07/36/419510736.db2.gz UQRYVNBLQFOVOW-MAUKXSAKSA-N 2 0 311.433 1.737 50 0 DDAARP CCOc1ccnc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)n1 ZINC000186863756 276384279 /nfs/dbraw/zinc/38/42/79/276384279.db2.gz CXWYMODASCJPOO-UHFFFAOYSA-N 2 0 319.453 1.387 50 0 DDAARP CCN1CC[NH+](C2CCN(c3cc[nH+]c(CO)c3)CC2)CC1 ZINC000823112882 758268877 /nfs/dbraw/zinc/26/88/77/758268877.db2.gz MSEQRXVQELQRAC-UHFFFAOYSA-N 2 0 304.438 1.180 50 0 DDAARP Cc1c[nH+]ccc1NCCNC(=O)CC[C@H](C)[NH+]1CCCC1 ZINC000827814607 759380786 /nfs/dbraw/zinc/38/07/86/759380786.db2.gz DZTDQXVEHSXHMB-HNNXBMFYSA-N 2 0 304.438 1.605 50 0 DDAARP c1cc(OC[C@H]2CCC[NH2+]C2)nc(OC[C@@H]2CCC[NH2+]C2)n1 ZINC000601012653 358382411 /nfs/dbraw/zinc/38/24/11/358382411.db2.gz VHVXWXOKOLERDK-UONOGXRCSA-N 2 0 306.410 1.233 50 0 DDAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000215860828 201473563 /nfs/dbraw/zinc/47/35/63/201473563.db2.gz VUTINTFKBYOKRP-QGZVFWFLSA-N 2 0 304.434 1.694 50 0 DDAARP Cc1cccc(C[NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)c1 ZINC000019868428 182158388 /nfs/dbraw/zinc/15/83/88/182158388.db2.gz VMRQLMZMDPAGRV-UHFFFAOYSA-N 2 0 317.477 1.569 50 0 DDAARP Cc1ncc2c(c1-c1noc(C3CC[NH+](C)CC3)n1)CC[NH2+]C2 ZINC000020166535 182194049 /nfs/dbraw/zinc/19/40/49/182194049.db2.gz JPTBWQXOHVPJCC-UHFFFAOYSA-N 2 0 313.405 1.895 50 0 DDAARP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH2+]CCCO ZINC000002096026 406682411 /nfs/dbraw/zinc/68/24/11/406682411.db2.gz YVHMDUOTURLDTR-DOTOQJQBSA-N 2 0 317.433 1.101 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078498273 407030506 /nfs/dbraw/zinc/03/05/06/407030506.db2.gz PQVFLLBCQXDIHW-INIZCTEOSA-N 2 0 302.422 1.605 50 0 DDAARP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095378676 407210921 /nfs/dbraw/zinc/21/09/21/407210921.db2.gz DGARNVXGEGSYST-MRXNPFEDSA-N 2 0 316.449 1.995 50 0 DDAARP Cc1ncc(CO)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1O ZINC000067472959 407275296 /nfs/dbraw/zinc/27/52/96/407275296.db2.gz KBGXJQFPALDNEW-UHFFFAOYSA-N 2 0 305.422 1.506 50 0 DDAARP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000097674092 407300977 /nfs/dbraw/zinc/30/09/77/407300977.db2.gz IYYISURFLLHPNG-QGZVFWFLSA-N 2 0 319.449 1.325 50 0 DDAARP C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000426399397 419457698 /nfs/dbraw/zinc/45/76/98/419457698.db2.gz KWWIJMZVDLTGER-AWEZNQCLSA-N 2 0 306.454 1.840 50 0 DDAARP C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072138828 191047387 /nfs/dbraw/zinc/04/73/87/191047387.db2.gz YFPVYUOIDVMNTQ-QGZVFWFLSA-N 2 0 303.454 1.294 50 0 DDAARP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167773851 354250569 /nfs/dbraw/zinc/25/05/69/354250569.db2.gz FOVNEYBQTHCBNV-HOTGVXAUSA-N 2 0 309.454 1.232 50 0 DDAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000022241632 182315208 /nfs/dbraw/zinc/31/52/08/182315208.db2.gz XMQLQILXFZUYTC-UHFFFAOYSA-N 2 0 318.465 1.752 50 0 DDAARP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CCC[NH+](C)C)c1 ZINC000096009162 407223828 /nfs/dbraw/zinc/22/38/28/407223828.db2.gz LEVCDFKBEUTBJQ-ZDUSSCGKSA-N 2 0 313.467 1.415 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)CC1 ZINC000373858423 257235846 /nfs/dbraw/zinc/23/58/46/257235846.db2.gz GXOVNQGSRAXMHA-INIZCTEOSA-N 2 0 320.485 1.400 50 0 DDAARP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(C)n1-n1cnnc1 ZINC000067643245 407278510 /nfs/dbraw/zinc/27/85/10/407278510.db2.gz FKSNRQNVLNLAJD-UHFFFAOYSA-N 2 0 314.437 1.583 50 0 DDAARP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000247446791 408473308 /nfs/dbraw/zinc/47/33/08/408473308.db2.gz YILJSWSXXXMPAW-IRXDYDNUSA-N 2 0 301.434 1.848 50 0 DDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000107358473 418498795 /nfs/dbraw/zinc/49/87/95/418498795.db2.gz ZZNOGZMAMCUGBT-ULQDDVLXSA-N 2 0 324.513 1.948 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534658884 334314945 /nfs/dbraw/zinc/31/49/45/334314945.db2.gz AGFAOFZITHNIPW-INIZCTEOSA-N 2 0 316.449 1.763 50 0 DDAARP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000864097533 706066323 /nfs/dbraw/zinc/06/63/23/706066323.db2.gz YKZDTAGPCJRCPJ-QSFUFRPTSA-N 2 0 318.343 1.459 50 0 DDAARP C[C@H](CCn1cccn1)[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000821740522 758171639 /nfs/dbraw/zinc/17/16/39/758171639.db2.gz NGAZQKYLQLVCDL-MRXNPFEDSA-N 2 0 306.454 1.584 50 0 DDAARP C[NH+](C)[C@@H]1CCCN(C/C=C\CN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000255228312 282186989 /nfs/dbraw/zinc/18/69/89/282186989.db2.gz XDGXKKZKFVJDKW-SPCWZHTESA-N 2 0 308.514 1.595 50 0 DDAARP [NH3+][C@H]1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]CC3)C1 ZINC000072475592 191177640 /nfs/dbraw/zinc/17/76/40/191177640.db2.gz AUSLTNCRUBLQMF-AWEZNQCLSA-N 2 0 309.417 1.369 50 0 DDAARP C[NH2+]CC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000063166087 184274989 /nfs/dbraw/zinc/27/49/89/184274989.db2.gz MTXNTLMAIJQMFN-UHFFFAOYSA-N 2 0 306.435 1.496 50 0 DDAARP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1Cn1cccn1 ZINC000065394923 184334546 /nfs/dbraw/zinc/33/45/46/184334546.db2.gz VCQIJCDYBLKYFM-HNNXBMFYSA-N 2 0 300.406 1.721 50 0 DDAARP CC(C)C[N@@H+]1CCCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222835072 407560550 /nfs/dbraw/zinc/56/05/50/407560550.db2.gz RLMKWGJIFYQRMN-UHFFFAOYSA-N 2 0 318.469 1.432 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-n3cccn3)cc2)CC1 ZINC000069415334 406709844 /nfs/dbraw/zinc/70/98/44/406709844.db2.gz LBBROABSRJFROD-UHFFFAOYSA-N 2 0 314.433 1.666 50 0 DDAARP C[NH+]1CCN(Cc2ccc(N3C[C@H]([NH3+])[C@@H](C4CC4)C3)nc2)CC1 ZINC000095374246 407211245 /nfs/dbraw/zinc/21/12/45/407211245.db2.gz VQVWBNAQAOUKBU-SJORKVTESA-N 2 0 315.465 1.003 50 0 DDAARP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097480281 407298710 /nfs/dbraw/zinc/29/87/10/407298710.db2.gz YWOSWCFBQBDIKE-GOSISDBHSA-N 2 0 315.461 1.934 50 0 DDAARP Cc1ccccc1[C@H](CNC(=O)C1(O)CC[NH+](C)CC1)[NH+](C)C ZINC000097594855 407299566 /nfs/dbraw/zinc/29/95/66/407299566.db2.gz SETZMNWANQEGTC-INIZCTEOSA-N 2 0 319.449 1.171 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1OCC[NH+](C)C ZINC000215692075 407487472 /nfs/dbraw/zinc/48/74/72/407487472.db2.gz WWMGKMQJSGFNHU-SFHVURJKSA-N 2 0 322.449 1.982 50 0 DDAARP C[NH2+]CC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165036102 408808305 /nfs/dbraw/zinc/80/83/05/408808305.db2.gz HVOWLMZHGNLMOX-INIZCTEOSA-N 2 0 303.450 1.795 50 0 DDAARP C[NH+]1CCC(OCCCNC(=O)C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000534648566 334316863 /nfs/dbraw/zinc/31/68/63/334316863.db2.gz VJVFVCHSPRYOOL-OAHLLOKOSA-N 2 0 311.470 1.478 50 0 DDAARP O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000170070837 490680724 /nfs/dbraw/zinc/68/07/24/490680724.db2.gz VBJLJGVTOPPSFI-MRXNPFEDSA-N 2 0 302.422 1.556 50 0 DDAARP COCC[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012703252 696051606 /nfs/dbraw/zinc/05/16/06/696051606.db2.gz YNURPUSSBGYQCA-KRWDZBQOSA-N 2 0 322.449 1.648 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000585121154 771952487 /nfs/dbraw/zinc/95/24/87/771952487.db2.gz HJHAAYORWILMNZ-KRWDZBQOSA-N 2 0 317.433 1.450 50 0 DDAARP Cn1cc(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000952849798 775571368 /nfs/dbraw/zinc/57/13/68/775571368.db2.gz QGGLWHMILRFVNI-MAUKXSAKSA-N 3 0 319.497 1.249 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)c1OC ZINC000072174266 191070941 /nfs/dbraw/zinc/07/09/41/191070941.db2.gz ILDIXOJFIITVPV-SFHVURJKSA-N 2 0 322.449 1.982 50 0 DDAARP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000253408189 186308190 /nfs/dbraw/zinc/30/81/90/186308190.db2.gz YOARIKUIZDUNMN-KKUMJFAQSA-N 2 0 311.470 1.020 50 0 DDAARP COC1(c2ccccc2)CC[NH+](C[C@]2(O)CCC[NH2+]C2)CC1 ZINC000072422855 191157831 /nfs/dbraw/zinc/15/78/31/191157831.db2.gz IUPHRYVUMVILRE-KRWDZBQOSA-N 2 0 304.434 1.739 50 0 DDAARP Cc1ccnc(CNC(=O)[C@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072425039 191160404 /nfs/dbraw/zinc/16/04/04/191160404.db2.gz IPKRHSCBVITLHN-OAHLLOKOSA-N 2 0 302.422 1.080 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1NC[C@@H]1CC[N@H+](CCCOC)C1 ZINC000095382856 407211535 /nfs/dbraw/zinc/21/15/35/407211535.db2.gz AOJDHUDXTCGNTO-ZDUSSCGKSA-N 2 0 307.442 1.700 50 0 DDAARP CCn1c(=O)n(CC[NH+]2CCCCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000067909405 407290320 /nfs/dbraw/zinc/29/03/20/407290320.db2.gz CHYNATSPDYHTGG-HNNXBMFYSA-N 2 0 321.469 1.408 50 0 DDAARP Cc1nn(CC[NH+]2CCC([C@H](C)O)CC2)cc1C[NH2+]C1CCC1 ZINC000065425898 696344967 /nfs/dbraw/zinc/34/49/67/696344967.db2.gz KQHOIEFEFBZKOZ-HNNXBMFYSA-N 2 0 320.481 1.926 50 0 DDAARP O=C(NC[C@@]1(O)CCC[NH2+]C1)C1([NH+]2CCCC2)CCCCC1 ZINC000952862255 775591078 /nfs/dbraw/zinc/59/10/78/775591078.db2.gz NTLCLASBCAFZEW-MRXNPFEDSA-N 2 0 309.454 1.016 50 0 DDAARP O=C(NCc1cnc2ccccc2c1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072130857 191044168 /nfs/dbraw/zinc/04/41/68/191044168.db2.gz LEYHKZHXMYENMN-KRWDZBQOSA-N 2 0 324.428 1.583 50 0 DDAARP CCc1csc(CNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)n1 ZINC000072418834 191157266 /nfs/dbraw/zinc/15/72/66/191157266.db2.gz KEYUOJNNXCEWMK-CYBMUJFWSA-N 2 0 322.478 1.396 50 0 DDAARP COc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](CCO)CC1 ZINC000069738504 406763983 /nfs/dbraw/zinc/76/39/83/406763983.db2.gz APERNJAFDYVAJH-UHFFFAOYSA-N 2 0 310.413 1.970 50 0 DDAARP COCC[N@@H+](Cc1cnn(C)c1)CC1CC[NH+](C(C)C)CC1 ZINC000055414852 407203196 /nfs/dbraw/zinc/20/31/96/407203196.db2.gz PUEWORJTYRFOBC-UHFFFAOYSA-N 2 0 308.470 1.989 50 0 DDAARP CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)[NH+](CCCO)C2)CC1 ZINC000257176422 407481958 /nfs/dbraw/zinc/48/19/58/407481958.db2.gz SSLLYSJUSSMOOY-CQSZACIVSA-N 2 0 308.426 1.609 50 0 DDAARP Cc1nc2ccccn2c1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426439007 419470913 /nfs/dbraw/zinc/47/09/13/419470913.db2.gz RZMYQSLUARGNLJ-UHFFFAOYSA-N 2 0 300.406 1.597 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000299740326 229374414 /nfs/dbraw/zinc/37/44/14/229374414.db2.gz YLYJPPMTEIWCSK-IIDMSEBBSA-N 2 0 322.497 1.131 50 0 DDAARP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000299738454 296993374 /nfs/dbraw/zinc/99/33/74/296993374.db2.gz AXXXGMYQHFWVOR-MUIFIZLQSA-N 2 0 323.481 1.462 50 0 DDAARP OC[C@H]1CCCCN1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952973976 721530150 /nfs/dbraw/zinc/53/01/50/721530150.db2.gz VURSSUZUHZRWGB-QGZVFWFLSA-N 2 0 309.498 1.735 50 0 DDAARP O=C(NCCCCc1ccccn1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072164012 191063143 /nfs/dbraw/zinc/06/31/43/191063143.db2.gz PHALXUSZUAJGAC-MRXNPFEDSA-N 2 0 316.449 1.252 50 0 DDAARP CC(C)n1ccnc1[C@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379105 257271961 /nfs/dbraw/zinc/27/19/61/257271961.db2.gz VQMUCFMEKLLWJQ-HNNXBMFYSA-N 2 0 319.453 1.075 50 0 DDAARP C[NH+](C)CCC1CCN(c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222791603 407561722 /nfs/dbraw/zinc/56/17/22/407561722.db2.gz ZYXHBHHHJZLDIB-UHFFFAOYSA-N 2 0 318.469 1.432 50 0 DDAARP c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)nc1 ZINC000101865273 407316360 /nfs/dbraw/zinc/31/63/60/407316360.db2.gz DKBUTDVQDZGWTO-IKLKHMQRSA-N 2 0 312.461 1.443 50 0 DDAARP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000108490392 407387093 /nfs/dbraw/zinc/38/70/93/407387093.db2.gz KUTQPQRBWHXYGP-JONQDZQNSA-N 2 0 323.481 1.332 50 0 DDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000125971779 407402235 /nfs/dbraw/zinc/40/22/35/407402235.db2.gz VDVRPDWNBICBRL-HNNXBMFYSA-N 2 0 316.449 1.262 50 0 DDAARP C[C@H](CC(=O)NCCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000221910910 407550866 /nfs/dbraw/zinc/55/08/66/407550866.db2.gz YOJDPKPNAQPNNY-BZZMCLGOSA-N 2 0 315.461 1.793 50 0 DDAARP CCc1nccn1CC(=O)NCCCNc1ccc(C)cn1 ZINC000244741935 407935081 /nfs/dbraw/zinc/93/50/81/407935081.db2.gz NZJIPQZJEHTJMV-UHFFFAOYSA-N 2 0 301.394 1.767 50 0 DDAARP O[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000426550030 419504835 /nfs/dbraw/zinc/50/48/35/419504835.db2.gz NTFUYCJWTVKPIS-HZPDHXFCSA-N 2 0 309.841 1.621 50 0 DDAARP C[NH+]1CCC(NC(=O)c2cccnc2OC2CC[NH2+]CC2)CC1 ZINC000169751883 697344111 /nfs/dbraw/zinc/34/41/11/697344111.db2.gz GBKMWKPCLKARAA-UHFFFAOYSA-N 2 0 318.421 1.036 50 0 DDAARP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCCC1 ZINC000322663134 698736071 /nfs/dbraw/zinc/73/60/71/698736071.db2.gz CASWWIUGHAFMNY-INIZCTEOSA-N 2 0 319.449 1.643 50 0 DDAARP c1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000097019927 185398214 /nfs/dbraw/zinc/39/82/14/185398214.db2.gz YWSQCWNYKMLUQG-INIZCTEOSA-N 2 0 317.433 1.327 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000022455749 352177503 /nfs/dbraw/zinc/17/75/03/352177503.db2.gz BZWVPFXZSMZSCY-UHFFFAOYSA-N 2 0 317.477 1.303 50 0 DDAARP CCNC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065605612 184371575 /nfs/dbraw/zinc/37/15/75/184371575.db2.gz GQJMORUKUBVPOR-HUUCEWRRSA-N 2 0 311.470 1.334 50 0 DDAARP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000269243219 207375211 /nfs/dbraw/zinc/37/52/11/207375211.db2.gz CIGYGVJFNJJEPP-RHSMWYFYSA-N 2 0 301.434 1.501 50 0 DDAARP CC1CC[NH+](CCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219817374 257273783 /nfs/dbraw/zinc/27/37/83/257273783.db2.gz GGPFHZXOHQXHDJ-UHFFFAOYSA-N 2 0 318.469 1.432 50 0 DDAARP [NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC000095380843 407212599 /nfs/dbraw/zinc/21/25/99/407212599.db2.gz GGHMJYVDLNUKIH-WMZOPIPTSA-N 2 0 301.434 1.993 50 0 DDAARP Cc1nn(CC[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1Cl ZINC000067934297 407291179 /nfs/dbraw/zinc/29/11/79/407291179.db2.gz WLFZVHDMIJXHFK-GFCCVEGCSA-N 2 0 313.877 1.379 50 0 DDAARP Cc1cc(CC(C)C)nc(N2CC[C@H]([NH2+]C3CC[NH2+]CC3)C2)n1 ZINC000426434874 419468782 /nfs/dbraw/zinc/46/87/82/419468782.db2.gz QSXLZQJMAYAIGT-INIZCTEOSA-N 2 0 317.481 1.904 50 0 DDAARP C[C@H](CNC(=O)C(C)(C)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000084638285 483999942 /nfs/dbraw/zinc/99/99/42/483999942.db2.gz PSBDLWLHQSJFTA-CQSZACIVSA-N 2 0 303.450 1.890 50 0 DDAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3C=CC[NH2+]3)cc2)CC1 ZINC000952962972 721528175 /nfs/dbraw/zinc/52/81/75/721528175.db2.gz GTUHHFDJCYDDKC-MRXNPFEDSA-N 2 0 301.390 1.626 50 0 DDAARP O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082096681 192355072 /nfs/dbraw/zinc/35/50/72/192355072.db2.gz BSSAYCLLWIDTBQ-QGZVFWFLSA-N 2 0 315.461 1.809 50 0 DDAARP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237407953 202255892 /nfs/dbraw/zinc/25/58/92/202255892.db2.gz XDWZOYODWRYESM-INMHGKMJSA-N 2 0 323.481 1.476 50 0 DDAARP CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)CCC[NH+](C)C)c1 ZINC000096009163 283642342 /nfs/dbraw/zinc/64/23/42/283642342.db2.gz LEVCDFKBEUTBJQ-CYBMUJFWSA-N 2 0 313.467 1.415 50 0 DDAARP C[C@H]1CCC[C@H]([NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)C1 ZINC000019359211 182117624 /nfs/dbraw/zinc/11/76/24/182117624.db2.gz MYJDDEWXFJRWBN-WMZOPIPTSA-N 2 0 309.498 1.639 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1 ZINC000058304679 184102881 /nfs/dbraw/zinc/10/28/81/184102881.db2.gz XODOUNXKYWLQRN-KRWDZBQOSA-N 2 0 318.465 1.878 50 0 DDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000269243222 207374390 /nfs/dbraw/zinc/37/43/90/207374390.db2.gz CIGYGVJFNJJEPP-WMLDXEAASA-N 2 0 301.434 1.501 50 0 DDAARP CN(CC[N@H+](C)C1CCCC1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000222788434 407561489 /nfs/dbraw/zinc/56/14/89/407561489.db2.gz VHYCHBUYKRTHPI-UHFFFAOYSA-N 2 0 303.454 1.992 50 0 DDAARP C[NH+]1CCC(C[NH2+]C[C@@]2(O)CCC[NH2+]C2)(c2ccccc2)CC1 ZINC000072430400 406882948 /nfs/dbraw/zinc/88/29/48/406882948.db2.gz XEYQCMUZUMKXFV-LJQANCHMSA-N 3 0 317.477 1.354 50 0 DDAARP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822771 407948576 /nfs/dbraw/zinc/94/85/76/407948576.db2.gz YSDSBESULOPBAH-CKEIUWERSA-N 2 0 305.422 1.335 50 0 DDAARP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000242288057 407915222 /nfs/dbraw/zinc/91/52/22/407915222.db2.gz YKTMNJLGTYAWSW-QZWWFDLISA-N 2 0 321.465 1.088 50 0 DDAARP CCN1CCC([NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)CC1 ZINC000048212302 418466835 /nfs/dbraw/zinc/46/68/35/418466835.db2.gz HEIGAXMCMBNKEB-UHFFFAOYSA-N 2 0 320.485 1.593 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000585120860 422307280 /nfs/dbraw/zinc/30/72/80/422307280.db2.gz QSARNKZVFQFLLV-SJORKVTESA-N 2 0 317.433 1.592 50 0 DDAARP Cc1cc(N2CC[NH+](C[C@H](C)n3cncn3)CC2)cc(C)[nH+]1 ZINC000020210869 696069890 /nfs/dbraw/zinc/06/98/90/696069890.db2.gz LKRQQHSYIZDXTK-HNNXBMFYSA-N 2 0 300.410 1.673 50 0 DDAARP CCN1CC[NH+](C2CCN(C[C@@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000020385091 696069931 /nfs/dbraw/zinc/06/99/31/696069931.db2.gz MAWFPRXYSPNXHU-GOSISDBHSA-N 2 0 322.541 1.820 50 0 DDAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1cccc2cccnc21 ZINC000022501041 182323493 /nfs/dbraw/zinc/32/34/93/182323493.db2.gz UJMOVACZZQWNDB-UHFFFAOYSA-N 2 0 314.433 1.896 50 0 DDAARP CCn1c(C2CC[NH2+]CC2)nn(C[C@H]2CCCC[N@@H+]2C)c1=O ZINC000065420253 184341112 /nfs/dbraw/zinc/34/11/12/184341112.db2.gz URTMHOBZUPUMHU-CQSZACIVSA-N 2 0 307.442 1.016 50 0 DDAARP c1cc(-c2nc3c(c(NC4CC[NH2+]CC4)n2)CC[NH2+]C3)ccn1 ZINC000067676950 407279763 /nfs/dbraw/zinc/27/97/63/407279763.db2.gz QHHRNRXSWKZHSE-UHFFFAOYSA-N 2 0 310.405 1.348 50 0 DDAARP Cc1n[nH]cc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000097159554 407284280 /nfs/dbraw/zinc/28/42/80/407284280.db2.gz BNGJUSFXRDYCPF-UHFFFAOYSA-N 2 0 313.449 1.626 50 0 DDAARP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245549963 408011721 /nfs/dbraw/zinc/01/17/21/408011721.db2.gz ZVCKFULLBVSRCW-IPMKNSEASA-N 2 0 318.461 1.980 50 0 DDAARP Cc1nccn1-c1ccccc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000534637711 334309975 /nfs/dbraw/zinc/30/99/75/334309975.db2.gz QIRJWIZJJJGGCX-HNNXBMFYSA-N 2 0 314.389 1.175 50 0 DDAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccon1)CC[NH+](C)CC2 ZINC000072419021 696393542 /nfs/dbraw/zinc/39/35/42/696393542.db2.gz KJVQUJRVAFSJBP-HNNXBMFYSA-N 2 0 320.437 1.487 50 0 DDAARP CCc1nccn1CCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000952969814 721529328 /nfs/dbraw/zinc/52/93/28/721529328.db2.gz IPYFWFHRYCGBKS-UHFFFAOYSA-N 2 0 320.437 1.159 50 0 DDAARP COCC[NH2+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000237159554 285074617 /nfs/dbraw/zinc/07/46/17/285074617.db2.gz OZWGNPNIAFUYNH-JKSUJKDBSA-N 2 0 311.470 1.335 50 0 DDAARP Cc1nc(NCC[NH+]2CCC(O)CC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067688754 407280317 /nfs/dbraw/zinc/28/03/17/407280317.db2.gz YFUUKEVPJVXBBC-AWEZNQCLSA-N 2 0 319.453 1.121 50 0 DDAARP Cc1nccn1CCC[NH+]1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000244774091 407938753 /nfs/dbraw/zinc/93/87/53/407938753.db2.gz PNTRZFVUHYRXGF-UHFFFAOYSA-N 2 0 315.425 1.084 50 0 DDAARP CO[C@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252485261 408797575 /nfs/dbraw/zinc/79/75/75/408797575.db2.gz GPUJEENSNAWACF-IBGZPJMESA-N 2 0 317.477 1.915 50 0 DDAARP COc1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c(OCC[NH3+])c1 ZINC000426376284 419450013 /nfs/dbraw/zinc/45/00/13/419450013.db2.gz FITZEWODIZDTJJ-ZDUSSCGKSA-N 2 0 321.421 1.056 50 0 DDAARP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534586727 334292149 /nfs/dbraw/zinc/29/21/49/334292149.db2.gz JQQNHHKLSGRABM-INIZCTEOSA-N 2 0 309.454 1.232 50 0 DDAARP C[NH+](C)CCn1ccc(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)n1 ZINC000166731896 484087058 /nfs/dbraw/zinc/08/70/58/484087058.db2.gz PJHFPFSCPUHEAI-CQSZACIVSA-N 2 0 321.812 1.737 50 0 DDAARP Cc1cc(N2CC[NH+](C[C@@H](C)n3cncn3)CC2)cc(C)[nH+]1 ZINC000020210873 696070139 /nfs/dbraw/zinc/07/01/39/696070139.db2.gz LKRQQHSYIZDXTK-OAHLLOKOSA-N 2 0 300.410 1.673 50 0 DDAARP O=C(CC1CC[NH2+]CC1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000333488175 249000524 /nfs/dbraw/zinc/00/05/24/249000524.db2.gz CEECUUHYLBPBNS-UHFFFAOYSA-N 2 0 308.451 1.938 50 0 DDAARP c1cc(CN2CC[NH2+]CC2)cc(OCC[NH+]2CCCCC2)c1 ZINC000223202995 407564078 /nfs/dbraw/zinc/56/40/78/407564078.db2.gz VTEAMZFOZPEPRY-UHFFFAOYSA-N 2 0 303.450 1.957 50 0 DDAARP CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691759 407488145 /nfs/dbraw/zinc/48/81/45/407488145.db2.gz PKINFLDWQVFYTJ-MRXNPFEDSA-N 2 0 303.454 1.721 50 0 DDAARP C[NH+](C)Cc1csc(C[N@H+]2C[C@@H]3C[C@@H](O)[C@@H](O)C[C@@H]3C2)c1 ZINC000215818867 407491425 /nfs/dbraw/zinc/49/14/25/407491425.db2.gz JUKYJJSAYOILQZ-UPUJQMMVSA-N 2 0 310.463 1.373 50 0 DDAARP C[C@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527413 407825889 /nfs/dbraw/zinc/82/58/89/407825889.db2.gz AXSZTKLWLYAVCG-HOCLYGCPSA-N 2 0 301.434 1.989 50 0 DDAARP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000247446786 408472972 /nfs/dbraw/zinc/47/29/72/408472972.db2.gz YILJSWSXXXMPAW-DLBZAZTESA-N 2 0 301.434 1.848 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000071871589 278395448 /nfs/dbraw/zinc/39/54/48/278395448.db2.gz REARDKSSSHKOOP-KDOFPFPSSA-N 2 0 324.440 1.884 50 0 DDAARP C[C@H](CC(=O)NCCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000097165831 332193671 /nfs/dbraw/zinc/19/36/71/332193671.db2.gz YOJDPKPNAQPNNY-SPUZQDLCSA-N 2 0 315.461 1.793 50 0 DDAARP C[C@@H]1C[C@H](NCc2cnc(Br)n2C)CC[N@@H+]1C ZINC000585118699 771951844 /nfs/dbraw/zinc/95/18/44/771951844.db2.gz YXQUMXGKJFQMGI-NXEZZACHSA-N 2 0 301.232 1.755 50 0 DDAARP C(CN1CCOCC1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000195579103 354298535 /nfs/dbraw/zinc/29/85/35/354298535.db2.gz MSSOEYLUDOQKBC-UHFFFAOYSA-N 2 0 309.498 1.953 50 0 DDAARP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067675795 407279590 /nfs/dbraw/zinc/27/95/90/407279590.db2.gz FLNPPDJBALQVHF-HNNXBMFYSA-N 2 0 305.422 1.704 50 0 DDAARP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000125290443 407384173 /nfs/dbraw/zinc/38/41/73/407384173.db2.gz CTTZLWTUTSQGIK-ZBFHGGJFSA-N 2 0 319.424 1.858 50 0 DDAARP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000585118694 422307866 /nfs/dbraw/zinc/30/78/66/422307866.db2.gz YNZDAGTZIGMMSQ-UHFFFAOYSA-N 2 0 317.480 1.217 50 0 DDAARP CN(C)[C@H](CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccco1 ZINC000229150457 484165577 /nfs/dbraw/zinc/16/55/77/484165577.db2.gz RGSKOWXIPUQQIS-SOUVJXGZSA-N 2 0 320.437 1.808 50 0 DDAARP CCOc1ccccc1C[N@@H+]1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782179 697345470 /nfs/dbraw/zinc/34/54/70/697345470.db2.gz ARUIKMLDNCYLCM-INIZCTEOSA-N 2 0 304.434 1.879 50 0 DDAARP O=C(C[NH+]1CCCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000821549565 704421346 /nfs/dbraw/zinc/42/13/46/704421346.db2.gz FXXNNNGNZSEPBK-UHFFFAOYSA-N 2 0 302.422 1.510 50 0 DDAARP O=C(C[NH+]1CCCCCC1)NCCC[N@H+]1CCCC[C@H]1CO ZINC000584903088 354801710 /nfs/dbraw/zinc/80/17/10/354801710.db2.gz ZMYOIRMMUSNIKH-INIZCTEOSA-N 2 0 311.470 1.216 50 0 DDAARP C[C@H]1C[C@H](NCc2cn(C)nc2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000585140891 354813838 /nfs/dbraw/zinc/81/38/38/354813838.db2.gz LEKZJCFTINEGJU-GXTWGEPZSA-N 2 0 322.453 1.948 50 0 DDAARP CC1CCC([NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)CC1 ZINC000019889071 182160780 /nfs/dbraw/zinc/16/07/80/182160780.db2.gz WDBZTGJBKGYQQA-UHFFFAOYSA-N 2 0 309.498 1.639 50 0 DDAARP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274064 406877273 /nfs/dbraw/zinc/87/72/73/406877273.db2.gz PFNLCJYZYJYSNF-CVEARBPZSA-N 2 0 324.469 1.023 50 0 DDAARP C[NH+](C)Cc1csc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097173016 407284555 /nfs/dbraw/zinc/28/45/55/407284555.db2.gz ZPLDPBCANSTTJT-HNNXBMFYSA-N 2 0 308.495 1.289 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237607067 407830413 /nfs/dbraw/zinc/83/04/13/407830413.db2.gz WOLCXAMZOAZHES-TWMKSMIVSA-N 2 0 322.497 1.131 50 0 DDAARP O=C1CC[N@H+](Cc2ccc(F)cc2)CCN1CC[NH+]1CCCC1 ZINC000299792005 410630419 /nfs/dbraw/zinc/63/04/19/410630419.db2.gz DXJRBRHCCNXMSQ-UHFFFAOYSA-N 2 0 319.424 1.956 50 0 DDAARP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534586728 334292233 /nfs/dbraw/zinc/29/22/33/334292233.db2.gz JQQNHHKLSGRABM-MRXNPFEDSA-N 2 0 309.454 1.232 50 0 DDAARP CCc1nccn1C[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000823557553 758329968 /nfs/dbraw/zinc/32/99/68/758329968.db2.gz UHBIJTPTFLMCIA-OAHLLOKOSA-N 2 0 307.486 1.450 50 0 DDAARP C[NH+]1CCC(OCCCNC(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000952869499 775601273 /nfs/dbraw/zinc/60/12/73/775601273.db2.gz MJBGVFKMQQEQLI-MRXNPFEDSA-N 2 0 311.470 1.478 50 0 DDAARP C[NH+](C)[C@@H]1CCCN(C/C=C/CN2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247741785 282186721 /nfs/dbraw/zinc/18/67/21/282186721.db2.gz XDGXKKZKFVJDKW-PJHKVULZSA-N 2 0 308.514 1.595 50 0 DDAARP [NH3+]C1(CN2CCN(CC3([NH3+])CCCCC3)CC2)CCCCC1 ZINC000071767275 191029180 /nfs/dbraw/zinc/02/91/80/191029180.db2.gz NDSXVILWXWMHKR-UHFFFAOYSA-N 2 0 308.514 1.927 50 0 DDAARP O=C(NCc1cnc2ccccc2c1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072130858 191044314 /nfs/dbraw/zinc/04/43/14/191044314.db2.gz LEYHKZHXMYENMN-QGZVFWFLSA-N 2 0 324.428 1.583 50 0 DDAARP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065610043 184373028 /nfs/dbraw/zinc/37/30/28/184373028.db2.gz XMDUQYUZWNVHBN-KFWWJZLASA-N 2 0 323.481 1.475 50 0 DDAARP C(CN1CC[C@@H]([NH+]2CCCC2)C1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000071920923 275393165 /nfs/dbraw/zinc/39/31/65/275393165.db2.gz SHWMAVWMEVCAHV-KDURUIRLSA-N 2 0 320.525 1.717 50 0 DDAARP CC[N@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000096439883 279198602 /nfs/dbraw/zinc/19/86/02/279198602.db2.gz HXRVUOLFNPYPHL-VHRNVKJDSA-N 2 0 308.470 1.785 50 0 DDAARP C[C@H](Cn1ccnc1)[NH2+]CC1(N2CC[NH+](C)CC2)CCCC1 ZINC000534640036 334310810 /nfs/dbraw/zinc/31/08/10/334310810.db2.gz SCUWDHZPKNJVJZ-MRXNPFEDSA-N 3 0 305.470 1.421 50 0 DDAARP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3C=CC[NH2+]3)cc2)CC1 ZINC000952962967 721528166 /nfs/dbraw/zinc/52/81/66/721528166.db2.gz GTUHHFDJCYDDKC-INIZCTEOSA-N 2 0 301.390 1.626 50 0 DDAARP CCc1nccn1C[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000823557549 758329540 /nfs/dbraw/zinc/32/95/40/758329540.db2.gz UHBIJTPTFLMCIA-HNNXBMFYSA-N 2 0 307.486 1.450 50 0 DDAARP CCC[C@@H]1C[N@H+](Cc2ccc(CC[NH3+])cc2)C[C@H]1NC(C)=O ZINC000082097533 192354717 /nfs/dbraw/zinc/35/47/17/192354717.db2.gz ILNWBTPRMLLUPF-QZTJIDSGSA-N 2 0 303.450 1.924 50 0 DDAARP c1ccc(C[N@@H+]2CC[C@H](Nc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072424922 191159439 /nfs/dbraw/zinc/15/94/39/191159439.db2.gz RXVODOSSSACWSG-INIZCTEOSA-N 2 0 323.444 1.851 50 0 DDAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CO)CC1 ZINC000091915313 193126046 /nfs/dbraw/zinc/12/60/46/193126046.db2.gz MDEAZQSZASRWSW-IAGOWNOFSA-N 2 0 321.465 1.266 50 0 DDAARP O=C1N(C[C@H]2CC[NH2+]C2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082099173 284853761 /nfs/dbraw/zinc/85/37/61/284853761.db2.gz WSTHPWMKRVSXKO-ZDUSSCGKSA-N 2 0 300.406 1.177 50 0 DDAARP CC(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000119604778 195000312 /nfs/dbraw/zinc/00/03/12/195000312.db2.gz ZSFRRKZHEZIXGS-OKZBNKHCSA-N 2 0 301.434 1.623 50 0 DDAARP C[NH2+]CCCC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000237139085 257239385 /nfs/dbraw/zinc/23/93/85/257239385.db2.gz AVBASECVQKXFFM-HOTGVXAUSA-N 2 0 310.486 1.003 50 0 DDAARP C[NH2+]CCCC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000237139117 257239682 /nfs/dbraw/zinc/23/96/82/257239682.db2.gz AVBASECVQKXFFM-IYBDPMFKSA-N 2 0 310.486 1.003 50 0 DDAARP CN(C)C(=O)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000069597900 406740433 /nfs/dbraw/zinc/74/04/33/406740433.db2.gz SRATZCJDDDLCQE-KRWDZBQOSA-N 2 0 319.449 1.110 50 0 DDAARP CN1C[C@@H]2CC[C@H](CC1=O)[N@@H+]2C1CCC2(CC[NH2+]CC2)CC1 ZINC000067872460 407288579 /nfs/dbraw/zinc/28/85/79/407288579.db2.gz OGEABCSBWPIZCB-CVEARBPZSA-N 2 0 305.466 1.994 50 0 DDAARP OCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccsc1)C[C@@H]2CO ZINC000097294615 407290862 /nfs/dbraw/zinc/29/08/62/407290862.db2.gz SMWDKGQPRGDCQJ-MRXNPFEDSA-N 2 0 324.490 1.637 50 0 DDAARP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000242288058 407915595 /nfs/dbraw/zinc/91/55/95/407915595.db2.gz YKTMNJLGTYAWSW-TWMKSMIVSA-N 2 0 321.465 1.088 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000585120857 422306605 /nfs/dbraw/zinc/30/66/05/422306605.db2.gz QSARNKZVFQFLLV-DLBZAZTESA-N 2 0 317.433 1.592 50 0 DDAARP C[NH+](C)CCn1ccc(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)n1 ZINC000166732016 484087286 /nfs/dbraw/zinc/08/72/86/484087286.db2.gz PJHFPFSCPUHEAI-AWEZNQCLSA-N 2 0 321.812 1.737 50 0 DDAARP Cc1c[nH+]ccc1NCC[NH2+]Cc1cc2ccccc2n(C)c1=O ZINC000952980854 721531566 /nfs/dbraw/zinc/53/15/66/721531566.db2.gz XYENLPKGKFEORY-UHFFFAOYSA-N 2 0 322.412 1.866 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000079018914 185146875 /nfs/dbraw/zinc/14/68/75/185146875.db2.gz SVZUEHYUPFPARQ-JKSUJKDBSA-N 2 0 309.454 1.042 50 0 DDAARP NC(=[NH2+])NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000069656129 190803326 /nfs/dbraw/zinc/80/33/26/190803326.db2.gz AEXLPDPIPQWVDX-UHFFFAOYSA-N 2 0 323.444 1.992 50 0 DDAARP O[C@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000072408935 191154444 /nfs/dbraw/zinc/15/44/44/191154444.db2.gz NUAWDIQICLXIEB-CQSZACIVSA-N 2 0 318.339 1.832 50 0 DDAARP C[N@@H+]1CCC[C@@H]1CCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072480148 191181424 /nfs/dbraw/zinc/18/14/24/191181424.db2.gz SBLXCDNAICTEFD-CYBMUJFWSA-N 2 0 300.410 1.334 50 0 DDAARP C[C@@H]1C[N@@H+](CCC(=O)NCC(C)(C)[NH+]2CCCC2)C[C@H](C)O1 ZINC000584887831 354790371 /nfs/dbraw/zinc/79/03/71/354790371.db2.gz LIAMOCJSZBMTQP-GASCZTMLSA-N 2 0 311.470 1.476 50 0 DDAARP Cc1cc(C)cc(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1 ZINC000092002482 193139813 /nfs/dbraw/zinc/13/98/13/193139813.db2.gz UIMVCQNBKCVTTE-QZTJIDSGSA-N 2 0 306.450 1.268 50 0 DDAARP COCC[N@@H+]1CC[C@@H](CN2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996281 406888708 /nfs/dbraw/zinc/88/87/08/406888708.db2.gz AHXOQKZAPDSPOH-QGZVFWFLSA-N 2 0 318.465 1.480 50 0 DDAARP CN(C)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000095946254 407216270 /nfs/dbraw/zinc/21/62/70/407216270.db2.gz YVPJRLGNGYDHRT-UHFFFAOYSA-N 2 0 322.457 1.105 50 0 DDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@H]1CCC(=O)N(Cc3ccccc3)C1)C2 ZINC000426435269 419467693 /nfs/dbraw/zinc/46/76/93/419467693.db2.gz CREWDERVMNGRIS-MJQMVNBJSA-N 2 0 313.445 1.847 50 0 DDAARP O=C1CC[C@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CCN1CC1CC1 ZINC000426705899 419534093 /nfs/dbraw/zinc/53/40/93/419534093.db2.gz VCKMTXURTSIVMT-INIZCTEOSA-N 2 0 321.465 1.232 50 0 DDAARP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000084771090 484001191 /nfs/dbraw/zinc/00/11/91/484001191.db2.gz JRSVKBWTWALCJO-HUUCEWRRSA-N 2 0 323.437 1.235 50 0 DDAARP CCO[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000670451082 484837307 /nfs/dbraw/zinc/83/73/07/484837307.db2.gz DURCYXMRUKIYPV-OALUTQOASA-N 2 0 317.477 1.960 50 0 DDAARP COc1cc(C[NH+](C)C)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015075322 696057054 /nfs/dbraw/zinc/05/70/54/696057054.db2.gz ZBICBUIYMIRSSU-HNNXBMFYSA-N 2 0 310.438 1.837 50 0 DDAARP C[NH+]1CCC(CCC(=O)NCCC[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000823761172 758348816 /nfs/dbraw/zinc/34/88/16/758348816.db2.gz QCWINMFKKRSDRX-MRXNPFEDSA-N 2 0 311.470 1.071 50 0 DDAARP O=C(C[NH+]1CCCC1)NCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000827831958 759383803 /nfs/dbraw/zinc/38/38/03/759383803.db2.gz OMSPHUWTKJJCNP-KRWDZBQOSA-N 2 0 323.481 1.480 50 0 DDAARP Cc1cccc([C@H](CNC(=O)NC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000828015611 759450414 /nfs/dbraw/zinc/45/04/14/759450414.db2.gz CBVKICGGBWTEJC-INIZCTEOSA-N 2 0 304.438 1.649 50 0 DDAARP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221947153 539265149 /nfs/dbraw/zinc/26/51/49/539265149.db2.gz MKYOAPVSWLFKHR-QLFBSQMISA-N 2 0 309.410 1.146 50 0 DDAARP C[C@@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946735 539265198 /nfs/dbraw/zinc/26/51/98/539265198.db2.gz WAUHAPFBSPARSF-VHSXEESVSA-N 2 0 304.316 1.656 50 0 DDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3c(C)noc3C)CC[C@H]21 ZINC000072418762 191157486 /nfs/dbraw/zinc/15/74/86/191157486.db2.gz CUJFYNISPMZKIU-GOEBONIOSA-N 2 0 320.437 1.324 50 0 DDAARP CSCc1nc(CC[NH2+]C[C@@]2(O)CCC[NH2+]C2)cs1 ZINC000072424744 191160034 /nfs/dbraw/zinc/16/00/34/191160034.db2.gz IYENZFUCBVORNI-CYBMUJFWSA-N 2 0 301.481 1.253 50 0 DDAARP C[N@@H+]1CCC[C@H]1CCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072480149 191181432 /nfs/dbraw/zinc/18/14/32/191181432.db2.gz SBLXCDNAICTEFD-ZDUSSCGKSA-N 2 0 300.410 1.334 50 0 DDAARP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000237685356 202329217 /nfs/dbraw/zinc/32/92/17/202329217.db2.gz DCYYERUCOWBPCE-BPUTZDHNSA-N 2 0 302.422 1.160 50 0 DDAARP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819584 406846812 /nfs/dbraw/zinc/84/68/12/406846812.db2.gz VAVGUOBQHZUUBK-CQSZACIVSA-N 2 0 307.486 1.823 50 0 DDAARP Cc1n[nH]cc1C[NH2+]CCN1CCN(C)C[C@H]1c1ccccc1 ZINC000225331454 407581611 /nfs/dbraw/zinc/58/16/11/407581611.db2.gz LZWLLBXMNZSGMD-SFHVURJKSA-N 2 0 313.449 1.796 50 0 DDAARP CC[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)C(C)C ZINC000245281316 407949785 /nfs/dbraw/zinc/94/97/85/407949785.db2.gz AQUFANKSBAHJOU-BBWFWOEESA-N 2 0 322.497 1.842 50 0 DDAARP NC(=O)c1ccc(OCCC[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cc1 ZINC000244763972 407937750 /nfs/dbraw/zinc/93/77/50/407937750.db2.gz OYWQACIERARZRO-FOLVSLTJSA-N 2 0 303.406 1.224 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC000192754167 408641513 /nfs/dbraw/zinc/64/15/13/408641513.db2.gz KCTMBDGGYQRLOO-CQSZACIVSA-N 2 0 323.403 1.402 50 0 DDAARP C[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000426574996 419509792 /nfs/dbraw/zinc/50/97/92/419509792.db2.gz JWHZKKFBWLOZQS-INIZCTEOSA-N 2 0 304.438 1.594 50 0 DDAARP COCCn1cncc1CN1CCC([NH+]2CCSCC2)CC1 ZINC000244678623 697821512 /nfs/dbraw/zinc/82/15/12/697821512.db2.gz IHAZUNVYRLNWDO-UHFFFAOYSA-N 2 0 324.494 1.543 50 0 DDAARP Cc1cc(C)n(C[C@H](C)[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000821740547 758171080 /nfs/dbraw/zinc/17/10/80/758171080.db2.gz RUXZVSXHLKZBKO-KRWDZBQOSA-N 2 0 320.481 1.811 50 0 DDAARP CN1CCC[N@H+](CCC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000071755240 191024830 /nfs/dbraw/zinc/02/48/30/191024830.db2.gz MIIJCZVAVOFDMP-UHFFFAOYSA-N 2 0 322.497 1.006 50 0 DDAARP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000584897919 354798006 /nfs/dbraw/zinc/79/80/06/354798006.db2.gz HCTCPJMMPOMDTK-OAHLLOKOSA-N 2 0 317.437 1.316 50 0 DDAARP CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2F)CC1 ZINC000236994500 257239188 /nfs/dbraw/zinc/23/91/88/257239188.db2.gz RLFXXUMANGIIBC-AWEZNQCLSA-N 2 0 320.412 1.141 50 0 DDAARP Cc1cc(C)n(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)c(=O)n1 ZINC000067770558 407283292 /nfs/dbraw/zinc/28/32/92/407283292.db2.gz CUQAOTMMTYKRFN-UHFFFAOYSA-N 2 0 318.465 1.762 50 0 DDAARP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000126385950 407411854 /nfs/dbraw/zinc/41/18/54/407411854.db2.gz CTTZLWTUTSQGIK-GOEBONIOSA-N 2 0 319.424 1.858 50 0 DDAARP C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)C1 ZINC000178987703 407681894 /nfs/dbraw/zinc/68/18/94/407681894.db2.gz WRIIQPKWKKMDPD-IEXSPKMKSA-N 2 0 310.401 1.953 50 0 DDAARP O[C@H]1C[C@H]([C@H]([NH2+]C2CSCCSC2)C2CC[NH2+]CC2)C1 ZINC000244626670 407927993 /nfs/dbraw/zinc/92/79/93/407927993.db2.gz FQIDCFXJBWQUGZ-BPLDGKMQSA-N 2 0 316.536 1.564 50 0 DDAARP O=c1[nH]cnc2c1C[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000299795921 410634304 /nfs/dbraw/zinc/63/43/04/410634304.db2.gz LJSBRHQTSNYAFQ-XJKSGUPXSA-N 2 0 302.422 1.805 50 0 DDAARP Cc1c[nH+]ccc1NCCNC(=O)CC[C@@H](C)[NH+]1CCCC1 ZINC000827814609 759381661 /nfs/dbraw/zinc/38/16/61/759381661.db2.gz DZTDQXVEHSXHMB-OAHLLOKOSA-N 2 0 304.438 1.605 50 0 DDAARP C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000585116647 771949530 /nfs/dbraw/zinc/94/95/30/771949530.db2.gz DHYNKJNLSLQHGZ-UOVPBQLFSA-N 2 0 306.450 1.713 50 0 DDAARP CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000585122290 771953024 /nfs/dbraw/zinc/95/30/24/771953024.db2.gz VVFLTUBIKIVWTE-DOTOQJQBSA-N 2 0 305.422 1.184 50 0 DDAARP O[C@H](COc1cccc(C[NH+]2CCC2)c1)C[NH+]1CCC(O)CC1 ZINC000095497396 185374540 /nfs/dbraw/zinc/37/45/40/185374540.db2.gz RSGHNGCGYIEMCB-KRWDZBQOSA-N 2 0 320.433 1.089 50 0 DDAARP O=C(NCCSc1ccccn1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072138734 191047705 /nfs/dbraw/zinc/04/77/05/191047705.db2.gz XIGPLIUOQVMLFX-ZDUSSCGKSA-N 2 0 320.462 1.022 50 0 DDAARP CN(CCc1ccccc1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072434203 191166611 /nfs/dbraw/zinc/16/66/11/191166611.db2.gz YDOWFBYXWTVMSJ-QGZVFWFLSA-N 2 0 315.461 1.761 50 0 DDAARP Cc1cnn(C[C@H]2CCCN2C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000106844103 353942664 /nfs/dbraw/zinc/94/26/64/353942664.db2.gz WGQYTGNOZNNDBB-MSOLQXFVSA-N 2 0 320.481 1.749 50 0 DDAARP Cc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000004499455 181115862 /nfs/dbraw/zinc/11/58/62/181115862.db2.gz SAHSTFVABLVNOQ-UHFFFAOYSA-N 2 0 303.450 1.885 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237518460 202268785 /nfs/dbraw/zinc/26/87/85/202268785.db2.gz YOCSFGNHNNYQQJ-HFTRVMKXSA-N 2 0 316.449 1.408 50 0 DDAARP CC1CC[NH+](CCN(C)c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000222751035 407559916 /nfs/dbraw/zinc/55/99/16/407559916.db2.gz IUJGGPGJGVLSNW-UHFFFAOYSA-N 2 0 303.454 1.849 50 0 DDAARP COc1ccc(COC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006906524 406745148 /nfs/dbraw/zinc/74/51/48/406745148.db2.gz ZYVNGCUKCCLAHW-INIZCTEOSA-N 2 0 324.465 1.750 50 0 DDAARP O[C@@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000077425326 406990325 /nfs/dbraw/zinc/99/03/25/406990325.db2.gz ABWSBLMPQWRFPK-AWEZNQCLSA-N 2 0 302.340 1.952 50 0 DDAARP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000102537709 407324102 /nfs/dbraw/zinc/32/41/02/407324102.db2.gz VJPVVQFXDJXUNP-KRWDZBQOSA-N 2 0 319.449 1.325 50 0 DDAARP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157545058 408305680 /nfs/dbraw/zinc/30/56/80/408305680.db2.gz ICTMLYJRBZTMGN-UAGQMJEPSA-N 2 0 301.434 1.847 50 0 DDAARP Cc1c(NC2CC[NH+](C)CC2)ncnc1NC1CC[NH+](C)CC1 ZINC000408524634 418808940 /nfs/dbraw/zinc/80/89/40/418808940.db2.gz WWLUDMKOTBNOCM-UHFFFAOYSA-N 3 0 318.469 1.797 50 0 DDAARP c1cc2c(c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c1)OCO2 ZINC000134087365 696833512 /nfs/dbraw/zinc/83/35/12/696833512.db2.gz XYDSVFGNGOOGLV-UHFFFAOYSA-N 2 0 318.417 1.960 50 0 DDAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC2)ccc1OC ZINC000095502347 185375065 /nfs/dbraw/zinc/37/50/65/185375065.db2.gz MYGNSRPDMHIREL-INIZCTEOSA-N 2 0 322.449 1.982 50 0 DDAARP Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)nc(N)[nH+]1 ZINC000095505116 185375385 /nfs/dbraw/zinc/37/53/85/185375385.db2.gz NNOMAQKYWJMTPL-HNNXBMFYSA-N 2 0 313.405 1.050 50 0 DDAARP Cn1c(C[C@H]2CCCC[C@H]2[NH3+])nn(CCC2CC[NH2+]CC2)c1=O ZINC000685943240 539567424 /nfs/dbraw/zinc/56/74/24/539567424.db2.gz UDZCWHIBFNAQHD-HUUCEWRRSA-N 2 0 321.469 1.032 50 0 DDAARP C[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072152535 191057720 /nfs/dbraw/zinc/05/77/20/191057720.db2.gz JGEHKDGYIRAMOH-KRWDZBQOSA-N 2 0 316.449 1.019 50 0 DDAARP c1cn(CC[NH+]2CCCCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072476266 191178604 /nfs/dbraw/zinc/17/86/04/191178604.db2.gz XLMJOUJTKGCCBM-UHFFFAOYSA-N 2 0 314.437 1.726 50 0 DDAARP CC(C)Oc1ccccc1N1CCN(C(=[NH2+])NC(N)=[NH2+])CC1 ZINC000096026596 353914135 /nfs/dbraw/zinc/91/41/35/353914135.db2.gz ONSXRXNVLFPJOU-UHFFFAOYSA-N 2 0 304.398 1.014 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1NCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000091845530 193117276 /nfs/dbraw/zinc/11/72/76/193117276.db2.gz HUWLDUHYVBLKKU-CYBMUJFWSA-N 2 0 307.442 1.436 50 0 DDAARP CC1(C)C[N@H+](Cc2ccncc2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000092097708 193157046 /nfs/dbraw/zinc/15/70/46/193157046.db2.gz LVGOUYXNNKHXGK-GOSISDBHSA-N 2 0 319.449 1.377 50 0 DDAARP O[C@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000077425331 406989824 /nfs/dbraw/zinc/98/98/24/406989824.db2.gz ABWSBLMPQWRFPK-CQSZACIVSA-N 2 0 302.340 1.952 50 0 DDAARP C[NH+]1CCC(Cc2noc(CC[N@@H+]3C[C@@H]4CC[C@H]3C4)n2)CC1 ZINC000067674685 407279038 /nfs/dbraw/zinc/27/90/38/407279038.db2.gz FFWNMWAAQTYVSD-CABCVRRESA-N 2 0 304.438 1.981 50 0 DDAARP CN1CC[NH+](CC2(C)CC[NH+](CCC3OCCO3)CC2)CC1 ZINC000253430024 407448488 /nfs/dbraw/zinc/44/84/88/407448488.db2.gz HUVFVNZMOOAAKZ-UHFFFAOYSA-N 2 0 311.470 1.099 50 0 DDAARP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176828527 408452932 /nfs/dbraw/zinc/45/29/32/408452932.db2.gz USVFDXLEOAHRNH-UHFFFAOYSA-N 2 0 323.481 1.430 50 0 DDAARP C[NH+](C)CCN(Cc1ccsc1)C(=O)NCC[NH+]1CCCC1 ZINC000426388352 419453751 /nfs/dbraw/zinc/45/37/51/419453751.db2.gz CKZFRAZSJZUGAZ-UHFFFAOYSA-N 2 0 324.494 1.917 50 0 DDAARP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCNC1=O ZINC000092821604 185343853 /nfs/dbraw/zinc/34/38/53/185343853.db2.gz PHWLKNCIMVYSOQ-MRXNPFEDSA-N 2 0 302.422 1.508 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C)n1 ZINC000069416565 285281729 /nfs/dbraw/zinc/28/17/29/285281729.db2.gz FFOVHXRCFBJWET-AWEZNQCLSA-N 2 0 324.494 1.940 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000069418087 406708789 /nfs/dbraw/zinc/70/87/89/406708789.db2.gz KKCUZOSUZPNFSH-UHFFFAOYSA-N 2 0 306.406 1.252 50 0 DDAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCC3)C[C@@H]2CCO)CC1 ZINC000071765420 406842018 /nfs/dbraw/zinc/84/20/18/406842018.db2.gz ZIJNHLHRLFKJCD-SFHVURJKSA-N 2 0 309.498 1.780 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1NCCCOC1CC[NH+](C)CC1 ZINC000095359905 407209324 /nfs/dbraw/zinc/20/93/24/407209324.db2.gz VWUIAJBUPCWNMD-UHFFFAOYSA-N 2 0 307.442 1.842 50 0 DDAARP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000242284647 407916431 /nfs/dbraw/zinc/91/64/31/407916431.db2.gz YINLLIUNQHMXNG-IAGOWNOFSA-N 2 0 312.417 1.567 50 0 DDAARP COc1cc2c(cc1C[NH+]1CCC3(CC1)C[NH2+]CCO3)OCO2 ZINC000426373852 419450739 /nfs/dbraw/zinc/45/07/39/419450739.db2.gz RMGRHKFOLAUKNW-UHFFFAOYSA-N 2 0 320.389 1.378 50 0 DDAARP Cc1cccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662261189 424522426 /nfs/dbraw/zinc/52/24/26/424522426.db2.gz UJIOUWQKZAXEHA-KRWDZBQOSA-N 2 0 301.434 1.638 50 0 DDAARP [NH3+]C[C@@H]1C[N@H+](C[C@@]2(O)CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000952877866 775628694 /nfs/dbraw/zinc/62/86/94/775628694.db2.gz WKBOTZDYKAXVDA-FGTMMUONSA-N 3 0 303.450 1.165 50 0 DDAARP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000089977311 185273059 /nfs/dbraw/zinc/27/30/59/185273059.db2.gz YCZIEKXXCRMMEY-QGZVFWFLSA-N 2 0 321.440 1.916 50 0 DDAARP Cn1c(CN2CCC([NH+]3CCCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000253393805 186303642 /nfs/dbraw/zinc/30/36/42/186303642.db2.gz VRENQGOMKXTYTF-HDJSIYSDSA-N 2 0 318.469 1.080 50 0 DDAARP c1cn(CC[NH+]2CCCC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072479445 191179693 /nfs/dbraw/zinc/17/96/93/191179693.db2.gz SKBQNHMPHDJCGL-UHFFFAOYSA-N 2 0 300.410 1.336 50 0 DDAARP CC(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252587665 354384278 /nfs/dbraw/zinc/38/42/78/354384278.db2.gz ZSFRRKZHEZIXGS-RCCFBDPRSA-N 2 0 301.434 1.623 50 0 DDAARP O=C(N1C[C@H](O)[C@@H]([NH+]2CCCC2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000584891985 354794298 /nfs/dbraw/zinc/79/42/98/354794298.db2.gz RTZPILTWCDUZMJ-HOTGVXAUSA-N 2 0 321.465 1.063 50 0 DDAARP C[N@@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000065439637 184345651 /nfs/dbraw/zinc/34/56/51/184345651.db2.gz OZDOMNHJMDEGJC-OAHLLOKOSA-N 2 0 320.437 1.764 50 0 DDAARP CSCC[N@@H+]1CCCN(C)CC[NH+](C)CCCN(C)CC1 ZINC000068604322 406653942 /nfs/dbraw/zinc/65/39/42/406653942.db2.gz WYZDHBAKWWRHMM-UHFFFAOYSA-N 2 0 316.559 1.241 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000069582477 406737467 /nfs/dbraw/zinc/73/74/67/406737467.db2.gz SEMDCYDFICSGLZ-GUYCJALGSA-N 2 0 310.413 1.542 50 0 DDAARP CC[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C(C)C ZINC000245281319 407950530 /nfs/dbraw/zinc/95/05/30/407950530.db2.gz AQUFANKSBAHJOU-ULQDDVLXSA-N 2 0 322.497 1.842 50 0 DDAARP C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1C[NH+](C)C ZINC000426399398 419457532 /nfs/dbraw/zinc/45/75/32/419457532.db2.gz KWWIJMZVDLTGER-CQSZACIVSA-N 2 0 306.454 1.840 50 0 DDAARP C[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000534632193 334307910 /nfs/dbraw/zinc/30/79/10/334307910.db2.gz COYNFTPDAPPYKY-QGZVFWFLSA-N 2 0 316.449 1.738 50 0 DDAARP Cc1ccc(O)c(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000828605402 759702499 /nfs/dbraw/zinc/70/24/99/759702499.db2.gz XTGBHFYESKAXLV-UHFFFAOYSA-N 2 0 305.422 1.518 50 0 DDAARP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000082991701 539168113 /nfs/dbraw/zinc/16/81/13/539168113.db2.gz RHCYDGVPSASHJJ-QGZVFWFLSA-N 2 0 323.481 1.573 50 0 DDAARP COCCN1C[C@@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000067805504 190724399 /nfs/dbraw/zinc/72/43/99/190724399.db2.gz OYAUJPNSQJOCRV-HNNXBMFYSA-N 2 0 309.454 1.136 50 0 DDAARP [NH3+]CC(=O)NCCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000075284376 353357836 /nfs/dbraw/zinc/35/78/36/353357836.db2.gz INHUMPALDUYDQU-UHFFFAOYSA-N 2 0 305.422 1.516 50 0 DDAARP Cc1cc(C)cc(OCC[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000075602791 353370250 /nfs/dbraw/zinc/37/02/50/353370250.db2.gz JBXAHMGJFIHGHK-UHFFFAOYSA-N 2 0 306.450 1.976 50 0 DDAARP CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000120637099 354013055 /nfs/dbraw/zinc/01/30/55/354013055.db2.gz XVUQFGODTKLGMK-LJQANCHMSA-N 2 0 317.477 1.827 50 0 DDAARP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157544785 197195347 /nfs/dbraw/zinc/19/53/47/197195347.db2.gz ICTMLYJRBZTMGN-USXIJHARSA-N 2 0 301.434 1.847 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000069347329 406697337 /nfs/dbraw/zinc/69/73/37/406697337.db2.gz MIQWLXAOJUCSGA-CQSZACIVSA-N 2 0 316.449 1.756 50 0 DDAARP Cc1cccc(C[NH+]2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000048366650 407096398 /nfs/dbraw/zinc/09/63/98/407096398.db2.gz KQQBGDHEGMRUGS-LJQANCHMSA-N 2 0 317.477 1.569 50 0 DDAARP O=C(NCc1ccc(-c2ccccc2)cc1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096150742 407240468 /nfs/dbraw/zinc/24/04/68/407240468.db2.gz RGGBCJYQOKMAEF-UHFFFAOYSA-N 2 0 321.424 1.779 50 0 DDAARP C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2Cc3ccccc3C2)C1 ZINC000067847642 407287192 /nfs/dbraw/zinc/28/71/92/407287192.db2.gz GQTYUOXJGHLKIC-HNNXBMFYSA-N 2 0 301.434 1.850 50 0 DDAARP O=C(C[C@H]1CC[NH2+]C1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000214980246 407478627 /nfs/dbraw/zinc/47/86/27/407478627.db2.gz HVUVFRGLTJBIPU-OAHLLOKOSA-N 2 0 319.424 1.860 50 0 DDAARP C[NH2+]CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165035970 408808006 /nfs/dbraw/zinc/80/80/06/408808006.db2.gz HVOWLMZHGNLMOX-MRXNPFEDSA-N 2 0 303.450 1.795 50 0 DDAARP c1cnc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)cn1 ZINC000067947501 696365720 /nfs/dbraw/zinc/36/57/20/696365720.db2.gz ZEEKHMPYULNZMV-UHFFFAOYSA-N 2 0 315.465 1.911 50 0 DDAARP OCC1CC[NH+](CCNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000828719611 759743677 /nfs/dbraw/zinc/74/36/77/759743677.db2.gz MQTLWGOBRQTQPR-UHFFFAOYSA-N 2 0 309.498 1.687 50 0 DDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2cncc(C)c2)CC1 ZINC000225500468 257274309 /nfs/dbraw/zinc/27/43/09/257274309.db2.gz SIPLOVVTWCFPAH-UHFFFAOYSA-N 2 0 304.438 1.280 50 0 DDAARP COc1cc(C[NH2+]CC2CC[NH+](CCO)CC2)cc(OC)c1 ZINC000069415267 406709471 /nfs/dbraw/zinc/70/94/71/406709471.db2.gz GJDZGXHBWFTBPA-UHFFFAOYSA-N 2 0 308.422 1.498 50 0 DDAARP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000097096434 407279240 /nfs/dbraw/zinc/27/92/40/407279240.db2.gz RAICQTFITGIWIJ-INIZCTEOSA-N 2 0 321.490 1.844 50 0 DDAARP CN(CC(=O)NCCCc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC000214966799 407481563 /nfs/dbraw/zinc/48/15/63/407481563.db2.gz IPKWQOMIJVOMQE-UHFFFAOYSA-N 2 0 305.422 1.125 50 0 DDAARP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)COCc1ccccc1 ZINC000229895010 407676802 /nfs/dbraw/zinc/67/68/02/407676802.db2.gz UPNUVZDCVWTFNC-QZTJIDSGSA-N 2 0 306.450 1.980 50 0 DDAARP Cn1cncc1CCC(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000242284648 407915693 /nfs/dbraw/zinc/91/56/93/407915693.db2.gz YINLLIUNQHMXNG-IRXDYDNUSA-N 2 0 312.417 1.567 50 0 DDAARP CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C)CC1(CO)CCCC1 ZINC000244898910 407943864 /nfs/dbraw/zinc/94/38/64/407943864.db2.gz ZDVODCZNIAHANO-JOCQHMNTSA-N 2 0 307.442 1.004 50 0 DDAARP C[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000299757706 410608918 /nfs/dbraw/zinc/60/89/18/410608918.db2.gz IXWQJWILZHAVGK-PBHICJAKSA-N 2 0 301.434 1.849 50 0 DDAARP c1cn([C@@H]2C[NH+]3CCC2CC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072447443 304859512 /nfs/dbraw/zinc/85/95/12/304859512.db2.gz BJORTMIDDPEJHE-MRXNPFEDSA-N 2 0 312.421 1.507 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]CCC(=O)NC2CCCC2)CC1 ZINC000075602860 353370321 /nfs/dbraw/zinc/37/03/21/353370321.db2.gz YABNYXMHQSDRLP-CQSZACIVSA-N 2 0 311.470 1.118 50 0 DDAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](C3CCC3)CC2)C1 ZINC000015073239 406878737 /nfs/dbraw/zinc/87/87/37/406878737.db2.gz LQKOSHBSUIBQQO-AWEZNQCLSA-N 2 0 305.466 1.994 50 0 DDAARP CC(C)C[N@@H+]1CCO[C@H](COC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000097034309 407276221 /nfs/dbraw/zinc/27/62/21/407276221.db2.gz XZLIDBZYNQNWJA-INIZCTEOSA-N 2 0 317.389 1.848 50 0 DDAARP Cc1nc(NCC[NH+]2CCC(O)CC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067688753 407280760 /nfs/dbraw/zinc/28/07/60/407280760.db2.gz YFUUKEVPJVXBBC-CQSZACIVSA-N 2 0 319.453 1.121 50 0 DDAARP C[NH+](C)CCCOc1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1 ZINC000215073828 407481681 /nfs/dbraw/zinc/48/16/81/407481681.db2.gz BIXRNXFYGRFTDG-IRXDYDNUSA-N 2 0 308.422 1.209 50 0 DDAARP CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691714 407486836 /nfs/dbraw/zinc/48/68/36/407486836.db2.gz PKINFLDWQVFYTJ-INIZCTEOSA-N 2 0 303.454 1.721 50 0 DDAARP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000242288055 407915309 /nfs/dbraw/zinc/91/53/09/407915309.db2.gz YKTMNJLGTYAWSW-NXOAAHMSSA-N 2 0 321.465 1.088 50 0 DDAARP Cn1cncc1CCC(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000242284646 407915997 /nfs/dbraw/zinc/91/59/97/407915997.db2.gz YINLLIUNQHMXNG-DLBZAZTESA-N 2 0 312.417 1.567 50 0 DDAARP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000097378134 337382734 /nfs/dbraw/zinc/38/27/34/337382734.db2.gz YDDFRKOIFLLNQU-ZDUSSCGKSA-N 2 0 310.360 1.344 50 0 DDAARP COCC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+](C)C3)CC1 ZINC000670447977 484835390 /nfs/dbraw/zinc/83/53/90/484835390.db2.gz ZQIHDNLCVSUCJT-RDJZCZTQSA-N 2 0 323.481 1.288 50 0 DDAARP CNc1ncccc1C[N@@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426538689 699155551 /nfs/dbraw/zinc/15/55/51/699155551.db2.gz XUBQUUJPZOWNGA-UHFFFAOYSA-N 2 0 303.454 1.383 50 0 DDAARP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952979524 721531224 /nfs/dbraw/zinc/53/12/24/721531224.db2.gz OHIRIFGVHZRWRR-INIZCTEOSA-N 2 0 313.405 1.514 50 0 DDAARP Cc1ccc(C)c(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)c1 ZINC000072156451 191059621 /nfs/dbraw/zinc/05/96/21/191059621.db2.gz QLQDROTVZICWPU-WMLDXEAASA-N 2 0 314.433 1.754 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2nccn2CC(F)(F)F)CC1 ZINC000071870957 406856935 /nfs/dbraw/zinc/85/69/35/406856935.db2.gz JRDKEVOHFKVCRB-UHFFFAOYSA-N 2 0 320.359 1.239 50 0 DDAARP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274063 406876924 /nfs/dbraw/zinc/87/69/24/406876924.db2.gz PFNLCJYZYJYSNF-HZPDHXFCSA-N 2 0 324.469 1.023 50 0 DDAARP CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000084575500 407090012 /nfs/dbraw/zinc/09/00/12/407090012.db2.gz ROZDQDFNLMTFHE-UHFFFAOYSA-N 2 0 307.438 1.697 50 0 DDAARP CCn1c(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244882768 407944026 /nfs/dbraw/zinc/94/40/26/407944026.db2.gz XYSINTJZIGOUHS-SQNSNAQRSA-N 2 0 315.465 1.981 50 0 DDAARP O[C@@]1(C[NH+]2CCC3(CNc4ccccc43)CC2)CCC[NH2+]C1 ZINC000072425674 275056140 /nfs/dbraw/zinc/05/61/40/275056140.db2.gz DSCXNUTZLAEISV-SFHVURJKSA-N 2 0 301.434 1.560 50 0 DDAARP Cc1cccc(-n2cc(C[NH2+]C[C@@H]3CC[NH2+]C[C@H]3O)cn2)c1 ZINC000072144898 191050349 /nfs/dbraw/zinc/05/03/49/191050349.db2.gz FWYLSEDGEYNEKJ-DOTOQJQBSA-N 2 0 300.406 1.241 50 0 DDAARP c1ccc(-c2nc3c(c(N4CCC[NH2+]CC4)n2)CC[NH2+]CC3)cc1 ZINC000072462734 191172237 /nfs/dbraw/zinc/17/22/37/191172237.db2.gz URQZKJMSNZJUJI-UHFFFAOYSA-N 2 0 323.444 1.632 50 0 DDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000072477688 191180330 /nfs/dbraw/zinc/18/03/30/191180330.db2.gz DRTRAGKHAFKRKO-INIZCTEOSA-N 2 0 317.433 1.256 50 0 DDAARP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237408660 202257517 /nfs/dbraw/zinc/25/75/17/202257517.db2.gz XDWZOYODWRYESM-BFYDXBDKSA-N 2 0 323.481 1.476 50 0 DDAARP CC(C)c1cc(N(C)CCCC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000091915153 193125685 /nfs/dbraw/zinc/12/56/85/193125685.db2.gz KDCXSGQISSVTQT-UHFFFAOYSA-N 2 0 307.442 1.731 50 0 DDAARP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000158372274 197266918 /nfs/dbraw/zinc/26/69/18/197266918.db2.gz LWMJWCFBWQATAY-IRXDYDNUSA-N 2 0 301.434 1.991 50 0 DDAARP O[C@@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000077322323 406984475 /nfs/dbraw/zinc/98/44/75/406984475.db2.gz PCTKKAXSBYVHOR-CYBMUJFWSA-N 2 0 304.312 1.442 50 0 DDAARP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)COCc1ccccc1 ZINC000107365912 407373653 /nfs/dbraw/zinc/37/36/53/407373653.db2.gz UPNUVZDCVWTFNC-ZWKOTPCHSA-N 2 0 306.450 1.980 50 0 DDAARP CC(C)CN1CCCn2ccnc2[C@H]1C1CC[NH+](CCO)CC1 ZINC000257193840 407486099 /nfs/dbraw/zinc/48/60/99/407486099.db2.gz ZWKURKODKAIQSI-QGZVFWFLSA-N 2 0 320.481 1.990 50 0 DDAARP CC[NH+]1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)CC1 ZINC000244708352 407931414 /nfs/dbraw/zinc/93/14/14/407931414.db2.gz KSBKLXOOCZAJJU-HDJSIYSDSA-N 2 0 301.438 1.701 50 0 DDAARP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]2CCCO[C@H]21 ZINC000245289762 222214569 /nfs/dbraw/zinc/21/45/69/222214569.db2.gz DZJIWJFMWWOXKG-ZJIFWQFVSA-N 2 0 323.481 1.367 50 0 DDAARP O[C@H]1[C@H]([NH2+]CCc2ccccn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072168119 275059441 /nfs/dbraw/zinc/05/94/41/275059441.db2.gz YIBRQEROKOKQJJ-MOPGFXCFSA-N 2 0 323.440 1.951 50 0 DDAARP CC(C)C[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802123 761708741 /nfs/dbraw/zinc/70/87/41/761708741.db2.gz AMUJODFLJJKOFD-INIZCTEOSA-N 2 0 323.481 1.288 50 0 DDAARP CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000585122291 771953051 /nfs/dbraw/zinc/95/30/51/771953051.db2.gz VVFLTUBIKIVWTE-NVXWUHKLSA-N 2 0 305.422 1.184 50 0 DDAARP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072425065 191159853 /nfs/dbraw/zinc/15/98/53/191159853.db2.gz IZUBUOWWQRBOCX-GOEBONIOSA-N 2 0 319.453 1.188 50 0 DDAARP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000584897918 354798171 /nfs/dbraw/zinc/79/81/71/354798171.db2.gz HCTCPJMMPOMDTK-HNNXBMFYSA-N 2 0 317.437 1.316 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccncc2)CC1 ZINC000069658901 406750334 /nfs/dbraw/zinc/75/03/34/406750334.db2.gz YGFDPMRLMRNLBM-AWEZNQCLSA-N 2 0 320.437 1.045 50 0 DDAARP CN(CC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000096443410 407267781 /nfs/dbraw/zinc/26/77/81/407267781.db2.gz WPVYUYIUECXNRP-QGZVFWFLSA-N 2 0 309.498 1.905 50 0 DDAARP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000127587811 407441154 /nfs/dbraw/zinc/44/11/54/407441154.db2.gz ZVCKFULLBVSRCW-QRVBRYPASA-N 2 0 318.461 1.980 50 0 DDAARP C(CN1CC[C@@H]([NH+]2CCCC2)C1)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000229746141 407670576 /nfs/dbraw/zinc/67/05/76/407670576.db2.gz SHWMAVWMEVCAHV-RTBURBONSA-N 2 0 320.525 1.717 50 0 DDAARP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000097238293 353918640 /nfs/dbraw/zinc/91/86/40/353918640.db2.gz OBTODRCYDNIWHQ-GFCCVEGCSA-N 2 0 307.360 1.612 50 0 DDAARP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000236875271 202045788 /nfs/dbraw/zinc/04/57/88/202045788.db2.gz CIGYGVJFNJJEPP-PBHICJAKSA-N 2 0 301.434 1.501 50 0 DDAARP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[NH2+]1 ZINC000155150953 197027409 /nfs/dbraw/zinc/02/74/09/197027409.db2.gz KXYPURBUZBSGGE-LBPRGKRZSA-N 2 0 301.390 1.928 50 0 DDAARP C[NH+](C)CCC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006936236 406745718 /nfs/dbraw/zinc/74/57/18/406745718.db2.gz DBAGOYSKCLDZMW-WMZOPIPTSA-N 2 0 306.450 1.983 50 0 DDAARP Cc1nc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc(=O)[nH]1 ZINC000067855240 407287185 /nfs/dbraw/zinc/28/71/85/407287185.db2.gz XQJVFWFFIXTTAS-UHFFFAOYSA-N 2 0 304.438 1.523 50 0 DDAARP C[C@H]([NH3+])C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000178869213 407632625 /nfs/dbraw/zinc/63/26/25/407632625.db2.gz XLQUFWXWDGZVQP-KKUMJFAQSA-N 2 0 303.450 1.949 50 0 DDAARP C[C@H](CC(=O)NCCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000253370945 408813536 /nfs/dbraw/zinc/81/35/36/408813536.db2.gz YOJDPKPNAQPNNY-UBDQQSCGSA-N 2 0 315.461 1.793 50 0 DDAARP C[NH+](C)C1(CNc2cc(C3CC([NH3+])C3)nc(N)n2)CCCC1 ZINC000220205098 418561519 /nfs/dbraw/zinc/56/15/19/418561519.db2.gz MIBBFUZXCXLFDM-UHFFFAOYSA-N 2 0 304.442 1.550 50 0 DDAARP C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000408525461 418808955 /nfs/dbraw/zinc/80/89/55/418808955.db2.gz SXVVNGRDEWXJPN-FVQBIDKESA-N 2 0 302.422 1.414 50 0 DDAARP Clc1cccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662259348 424517847 /nfs/dbraw/zinc/51/78/47/424517847.db2.gz VIVHQKFPPJFAIO-INIZCTEOSA-N 2 0 321.852 1.983 50 0 DDAARP C[C@@H](CCN1CC[NH+](C2CC2)CC1)[NH+]1CCN(C2CC2)CC1 ZINC000095428285 278231787 /nfs/dbraw/zinc/23/17/87/278231787.db2.gz UXWNSNUUZMTAKW-INIZCTEOSA-N 2 0 306.498 1.325 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C)n1 ZINC000069416564 279303127 /nfs/dbraw/zinc/30/31/27/279303127.db2.gz FFOVHXRCFBJWET-CQSZACIVSA-N 2 0 324.494 1.940 50 0 DDAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000223951252 295366737 /nfs/dbraw/zinc/36/67/37/295366737.db2.gz DKDBQZBEZTYDIE-UHFFFAOYSA-N 2 0 316.453 1.328 50 0 DDAARP C[C@@H](C1CC[NH+](Cc2cccnc2N)CC1)[NH+]1CCOCC1 ZINC000072447096 191168917 /nfs/dbraw/zinc/16/89/17/191168917.db2.gz IQOJAMWTAHBZPG-AWEZNQCLSA-N 2 0 304.438 1.597 50 0 DDAARP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000237242346 202202246 /nfs/dbraw/zinc/20/22/46/202202246.db2.gz AACXKTQOADVGRM-SJORKVTESA-N 2 0 317.433 1.098 50 0 DDAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CO)CC1 ZINC000091425072 193053864 /nfs/dbraw/zinc/05/38/64/193053864.db2.gz PUSBXPSAELNBBB-HZPDHXFCSA-N 2 0 309.479 1.036 50 0 DDAARP Cc1ncc(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)s1 ZINC000023159197 182352299 /nfs/dbraw/zinc/35/22/99/182352299.db2.gz HRXPLBOVCNPFNO-UHFFFAOYSA-N 2 0 306.439 1.414 50 0 DDAARP CC(C)C[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1C)N1CCOCC1 ZINC000106872115 407363694 /nfs/dbraw/zinc/36/36/94/407363694.db2.gz QWZONTGHZDPMMN-HOTGVXAUSA-N 2 0 311.470 1.334 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000107150901 407369949 /nfs/dbraw/zinc/36/99/49/407369949.db2.gz SVZUEHYUPFPARQ-HZPDHXFCSA-N 2 0 309.454 1.042 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237432508 287684089 /nfs/dbraw/zinc/68/40/89/287684089.db2.gz YJXVBIAGLJADIN-BRWVUGGUSA-N 2 0 322.497 1.146 50 0 DDAARP C[C@H](CC[NH2+]C1CSCCSC1)N1CC[NH+](C)CC1 ZINC000534650489 334311798 /nfs/dbraw/zinc/31/17/98/334311798.db2.gz VNJFIJPMZBCAQD-CYBMUJFWSA-N 2 0 303.541 1.451 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)(F)F)CC1 ZINC000069778480 190816849 /nfs/dbraw/zinc/81/68/49/190816849.db2.gz MHZOWABOHLJETB-GFCCVEGCSA-N 2 0 312.376 1.590 50 0 DDAARP CCCOc1ccc(C[NH2+]CCC[NH2+]CCO)cc1OCC ZINC000020968283 182256783 /nfs/dbraw/zinc/25/67/83/182256783.db2.gz OMGOVNBGOKCAFW-UHFFFAOYSA-N 2 0 310.438 1.936 50 0 DDAARP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333646525 249054763 /nfs/dbraw/zinc/05/47/63/249054763.db2.gz JCILMGAXDHIYGX-HRCADAONSA-N 2 0 302.422 1.265 50 0 DDAARP COc1c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c(C)nn1C ZINC000058304933 184102800 /nfs/dbraw/zinc/10/28/00/184102800.db2.gz IBBBHZNFDAARRI-MRXNPFEDSA-N 2 0 323.485 1.099 50 0 DDAARP CC(C)OCC[NH+]1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000069947374 406794245 /nfs/dbraw/zinc/79/42/45/406794245.db2.gz VAXVVPXMTBJANP-UHFFFAOYSA-N 2 0 306.454 1.690 50 0 DDAARP CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccncc2Cl)CC1 ZINC000075765128 406940145 /nfs/dbraw/zinc/94/01/45/406940145.db2.gz DYPQAMCSBHQOQI-UHFFFAOYSA-N 2 0 324.856 1.625 50 0 DDAARP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000055344512 407201783 /nfs/dbraw/zinc/20/17/83/407201783.db2.gz PPWTXXQKNKVAMR-HNNXBMFYSA-N 2 0 307.442 1.004 50 0 DDAARP [NH3+]CCOc1ccc(Cl)cc1C(=O)NCC[NH+]1CCCC1 ZINC000426444693 419473809 /nfs/dbraw/zinc/47/38/09/419473809.db2.gz UQMMDMJMWWGZDC-UHFFFAOYSA-N 2 0 311.813 1.503 50 0 DDAARP C[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385721 289655144 /nfs/dbraw/zinc/65/51/44/289655144.db2.gz UCCIGPJBAHWHOJ-CVEARBPZSA-N 2 0 306.454 1.374 50 0 DDAARP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](CC3CCC3)CC2)n1 ZINC000223881232 563737823 /nfs/dbraw/zinc/73/78/23/563737823.db2.gz WRQOBHAKUZQGQI-UHFFFAOYSA-N 2 0 316.453 1.186 50 0 DDAARP CCS(=O)(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000952970275 721529431 /nfs/dbraw/zinc/52/94/31/721529431.db2.gz HWIZJYPARDMRJY-CYBMUJFWSA-N 2 0 322.434 1.290 50 0 DDAARP C[C@@H]1C[C@@H](Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000097034043 185399899 /nfs/dbraw/zinc/39/98/99/185399899.db2.gz BOCJQDLNPGIMHA-IUODEOHRSA-N 2 0 316.449 1.884 50 0 DDAARP CN(CC[NH+]1CCCCCC1)Cc1cc2n(n1)CCC[NH2+]C2 ZINC000072150552 191055646 /nfs/dbraw/zinc/05/56/46/191055646.db2.gz IPEJRXWYUOWZDT-UHFFFAOYSA-N 2 0 305.470 1.684 50 0 DDAARP Cc1c[nH+]ccc1NCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072424826 191159447 /nfs/dbraw/zinc/15/94/47/191159447.db2.gz XYMHNMYDZAAEDT-UHFFFAOYSA-N 2 0 323.404 1.665 50 0 DDAARP c1cc(OC[C@@H]2CCC[NH2+]C2)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000601012651 358381657 /nfs/dbraw/zinc/38/16/57/358381657.db2.gz VHVXWXOKOLERDK-KGLIPLIRSA-N 2 0 306.410 1.233 50 0 DDAARP [NH3+]C[C@@H]1CCCCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000237854875 202370754 /nfs/dbraw/zinc/37/07/54/202370754.db2.gz ZTSSQGBFOUBTJA-KRWDZBQOSA-N 2 0 317.433 1.472 50 0 DDAARP CCC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000020455878 182219116 /nfs/dbraw/zinc/21/91/16/182219116.db2.gz GYBBOWCBKGDXBO-UHFFFAOYSA-N 2 0 323.481 1.432 50 0 DDAARP CN1CCN(C(=O)Cc2cn(C[NH+](C)C)c3ccccc23)CC1 ZINC000020647808 182241337 /nfs/dbraw/zinc/24/13/37/182241337.db2.gz SKKHSJRFURGJSH-UHFFFAOYSA-N 2 0 314.433 1.477 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2nc(-c3ccoc3)no2)CC1 ZINC000069565093 406735368 /nfs/dbraw/zinc/73/53/68/406735368.db2.gz NSHKKCGODNAZEX-UHFFFAOYSA-N 2 0 306.366 1.124 50 0 DDAARP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819583 406846797 /nfs/dbraw/zinc/84/67/97/406846797.db2.gz VAVGUOBQHZUUBK-AWEZNQCLSA-N 2 0 307.486 1.823 50 0 DDAARP COCC[N@@H+]1CCC[C@@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC000014978115 406877118 /nfs/dbraw/zinc/87/71/18/406877118.db2.gz BSFMYPMJCHVOQU-KRWDZBQOSA-N 2 0 306.454 1.708 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1NC[C@H]1CC[N@H+](CCCOC)C1 ZINC000095382857 407212212 /nfs/dbraw/zinc/21/22/12/407212212.db2.gz AOJDHUDXTCGNTO-CYBMUJFWSA-N 2 0 307.442 1.700 50 0 DDAARP CCCn1ccnc1CN1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000107403674 407374925 /nfs/dbraw/zinc/37/49/25/407374925.db2.gz VFXLXBOBGBLQHS-QGZVFWFLSA-N 2 0 319.453 1.079 50 0 DDAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CCC3)C[C@H]2CCO)CC1 ZINC000107033246 407368812 /nfs/dbraw/zinc/36/88/12/407368812.db2.gz ZIJNHLHRLFKJCD-GOSISDBHSA-N 2 0 309.498 1.780 50 0 DDAARP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000178572759 407496510 /nfs/dbraw/zinc/49/65/10/407496510.db2.gz YILJSWSXXXMPAW-SJORKVTESA-N 2 0 301.434 1.848 50 0 DDAARP CC[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C(C)C ZINC000245281323 407950419 /nfs/dbraw/zinc/95/04/19/407950419.db2.gz AQUFANKSBAHJOU-YESZJQIVSA-N 2 0 322.497 1.842 50 0 DDAARP COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000245549964 408012340 /nfs/dbraw/zinc/01/23/40/408012340.db2.gz ZVCKFULLBVSRCW-OTWHNJEPSA-N 2 0 318.461 1.980 50 0 DDAARP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC3)c2)C1 ZINC000246203737 408176562 /nfs/dbraw/zinc/17/65/62/408176562.db2.gz JMQCDLHMEOLJFJ-SJORKVTESA-N 2 0 317.433 1.262 50 0 DDAARP COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299771983 410616469 /nfs/dbraw/zinc/61/64/69/410616469.db2.gz YWLGJLIHNNIVIN-INIZCTEOSA-N 2 0 319.449 1.728 50 0 DDAARP [NH3+]CCN1C(=O)CC[C@H]2C[N@@H+](C/C=C/c3ccco3)CC[C@H]21 ZINC000072462599 696394203 /nfs/dbraw/zinc/39/42/03/696394203.db2.gz KMHBDSRMRMGBCN-NCOFJEEWSA-N 2 0 303.406 1.564 50 0 DDAARP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000097238295 353919030 /nfs/dbraw/zinc/91/90/30/353919030.db2.gz OBTODRCYDNIWHQ-LBPRGKRZSA-N 2 0 307.360 1.612 50 0 DDAARP [NH3+]C1(C(=O)N2CC[NH+](C3CCCC3)CC2)Cc2ccccc2C1 ZINC000097229048 283398354 /nfs/dbraw/zinc/39/83/54/283398354.db2.gz WNBQPTCKERSEND-UHFFFAOYSA-N 2 0 313.445 1.570 50 0 DDAARP Cc1ccc(I)cc1NC(=[NH2+])NC(N)=[NH2+] ZINC000020459052 182220096 /nfs/dbraw/zinc/22/00/96/182220096.db2.gz WYJMVXFYBUTGPY-UHFFFAOYSA-N 2 0 317.134 1.429 50 0 DDAARP Clc1cccc(CN2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102812058 407327526 /nfs/dbraw/zinc/32/75/26/407327526.db2.gz ITSWWBLSPPKJEU-FVQHAEBGSA-N 2 0 305.853 1.923 50 0 DDAARP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000097034310 407276339 /nfs/dbraw/zinc/27/63/39/407276339.db2.gz XZLIDBZYNQNWJA-MRXNPFEDSA-N 2 0 317.389 1.848 50 0 DDAARP Cc1nc(CC[NH3+])cc(N2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000067712846 407281118 /nfs/dbraw/zinc/28/11/18/407281118.db2.gz AOPUZHPSSQYRRX-INIZCTEOSA-N 2 0 317.481 1.989 50 0 DDAARP C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237398984 407816327 /nfs/dbraw/zinc/81/63/27/407816327.db2.gz ICTMLYJRBZTMGN-XIRDDKMYSA-N 2 0 301.434 1.847 50 0 DDAARP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000238000368 407866341 /nfs/dbraw/zinc/86/63/41/407866341.db2.gz MUKXUQKJLPVIAG-KRWDZBQOSA-N 2 0 317.433 1.257 50 0 DDAARP CC[C@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000184162360 306713398 /nfs/dbraw/zinc/71/33/98/306713398.db2.gz VOUSDJAVPCWNJD-QGZVFWFLSA-N 2 0 309.454 1.089 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)CC1 ZINC000328597950 418605304 /nfs/dbraw/zinc/60/53/04/418605304.db2.gz JOXLVDUGFAZZSU-IBGZPJMESA-N 3 0 322.541 1.820 50 0 DDAARP CSCc1nc(CC[NH2+]C[C@]2(O)CCC[NH2+]C2)cs1 ZINC000072424743 191160330 /nfs/dbraw/zinc/16/03/30/191160330.db2.gz IYENZFUCBVORNI-ZDUSSCGKSA-N 2 0 301.481 1.253 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1NCCC[N@@H+]1CCC[C@H](CO)C1 ZINC000091845527 193116976 /nfs/dbraw/zinc/11/69/76/193116976.db2.gz HUWLDUHYVBLKKU-ZDUSSCGKSA-N 2 0 307.442 1.436 50 0 DDAARP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069521331 406729052 /nfs/dbraw/zinc/72/90/52/406729052.db2.gz XCJMZNXOHSRKPX-OAHLLOKOSA-N 2 0 315.421 1.323 50 0 DDAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](C3CCC3)CC2)C1 ZINC000015073238 406878179 /nfs/dbraw/zinc/87/81/79/406878179.db2.gz LQKOSHBSUIBQQO-CQSZACIVSA-N 2 0 305.466 1.994 50 0 DDAARP COCC[N@@H+]1CC[C@H](CN2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000020996283 406889352 /nfs/dbraw/zinc/88/93/52/406889352.db2.gz AHXOQKZAPDSPOH-KRWDZBQOSA-N 2 0 318.465 1.480 50 0 DDAARP CC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000089393747 407132702 /nfs/dbraw/zinc/13/27/02/407132702.db2.gz CGVATRZIQRKSAW-MRXNPFEDSA-N 2 0 304.438 1.754 50 0 DDAARP C[C@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095088906 407206041 /nfs/dbraw/zinc/20/60/41/407206041.db2.gz ORVGAQKEQXPYTR-HNNXBMFYSA-N 2 0 301.434 1.848 50 0 DDAARP Cc1cccc(C[N@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067946973 407290993 /nfs/dbraw/zinc/29/09/93/407290993.db2.gz IYALSQAGIMVXOK-UHFFFAOYSA-N 2 0 302.466 1.992 50 0 DDAARP CN(C(=O)C1(O)CC[NH+](C)CC1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097468362 407298510 /nfs/dbraw/zinc/29/85/10/407298510.db2.gz XXXSHDBUDQOPEM-INIZCTEOSA-N 2 0 319.449 1.204 50 0 DDAARP CN(C(=O)c1oc2ccccc2c1C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000179093597 407721634 /nfs/dbraw/zinc/72/16/34/407721634.db2.gz SUMNCOFYMJRMLY-LBPRGKRZSA-N 2 0 301.390 1.928 50 0 DDAARP [NH3+][C@H]1C[C@@H](c2cc(N3CCC([NH+]4CCCC4)CC3)ncn2)C1 ZINC000244874317 407940889 /nfs/dbraw/zinc/94/08/89/407940889.db2.gz WZIDYJYJBDJLTG-OKILXGFUSA-N 2 0 301.438 1.746 50 0 DDAARP C[C@@H](CC[NH2+]C1CSCCSC1)N1CC[NH+](C)CC1 ZINC000534650490 334311806 /nfs/dbraw/zinc/31/18/06/334311806.db2.gz VNJFIJPMZBCAQD-ZDUSSCGKSA-N 2 0 303.541 1.451 50 0 DDAARP C[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CC[NH+](CCO)CC1 ZINC000083864078 483984213 /nfs/dbraw/zinc/98/42/13/483984213.db2.gz WUDDWUNTFQBLLA-UHFFFAOYSA-N 2 0 320.433 1.594 50 0 DDAARP C[C@@H](COCC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCCC1 ZINC000585121491 771953275 /nfs/dbraw/zinc/95/32/75/771953275.db2.gz QVTORTYETVGYDU-HNNXBMFYSA-N 2 0 313.486 1.724 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096407853 407260851 /nfs/dbraw/zinc/26/08/51/407260851.db2.gz WKZBOISOMNVTJA-HOTGVXAUSA-N 2 0 311.470 1.070 50 0 DDAARP CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000252508886 408801477 /nfs/dbraw/zinc/80/14/77/408801477.db2.gz XWYCEKZRTARCLI-UHFFFAOYSA-N 2 0 318.465 1.149 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000408513592 418806423 /nfs/dbraw/zinc/80/64/23/418806423.db2.gz LWRBCUNUKIURBO-SOLBZPMBSA-N 2 0 322.497 1.003 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000299740333 229374472 /nfs/dbraw/zinc/37/44/72/229374472.db2.gz YOCSFGNHNNYQQJ-QGPMSJSTSA-N 2 0 316.449 1.408 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426500024 279315551 /nfs/dbraw/zinc/31/55/51/279315551.db2.gz BMGDEZPRLXFWLH-CYBMUJFWSA-N 2 0 309.483 1.859 50 0 DDAARP C[NH+](C)[C@@H]1CCCN(C/C=C/CN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000111247888 289296372 /nfs/dbraw/zinc/29/63/72/289296372.db2.gz XDGXKKZKFVJDKW-FBLDJFESSA-N 2 0 308.514 1.595 50 0 DDAARP CSCC[NH+]1CCC(NC(=O)C[NH+]2CCCCCC2)CC1 ZINC000952982236 721531529 /nfs/dbraw/zinc/53/15/29/721531529.db2.gz VXNQHCZIDUKHSZ-UHFFFAOYSA-N 2 0 313.511 1.806 50 0 DDAARP COCC[N@@H+]1CC[C@@H](C(=O)N(C)CC[NH+](C)C2CCCC2)C1 ZINC000952991113 721533511 /nfs/dbraw/zinc/53/35/11/721533511.db2.gz MKFFQHKKUWDMNY-OAHLLOKOSA-N 2 0 311.470 1.288 50 0 DDAARP C[C@H](C(=O)NCC(F)(F)F)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946789 539265243 /nfs/dbraw/zinc/26/52/43/539265243.db2.gz WAUHAPFBSPARSF-NXEZZACHSA-N 2 0 304.316 1.656 50 0 DDAARP Cc1ccnc(CNC(=O)[C@@H]2CC3(C[N@H+]2C)CC[NH2+]CC3)c1 ZINC000072425038 191159222 /nfs/dbraw/zinc/15/92/22/191159222.db2.gz IPKRHSCBVITLHN-HNNXBMFYSA-N 2 0 302.422 1.080 50 0 DDAARP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000269255086 207394491 /nfs/dbraw/zinc/39/44/91/207394491.db2.gz HLIFBWOZVIGDIG-HUUCEWRRSA-N 2 0 319.449 1.826 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096407852 407260468 /nfs/dbraw/zinc/26/04/68/407260468.db2.gz WKZBOISOMNVTJA-JKSUJKDBSA-N 2 0 311.470 1.070 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000299740327 534227508 /nfs/dbraw/zinc/22/75/08/534227508.db2.gz YLYJPPMTEIWCSK-RVKKMQEKSA-N 2 0 322.497 1.131 50 0 DDAARP CC[NH+]1CCC(C[N@@H+]2CCCN(c3ncccn3)CC2)CC1 ZINC000020168742 696070308 /nfs/dbraw/zinc/07/03/08/696070308.db2.gz PJLCENCAAPKPIR-UHFFFAOYSA-N 2 0 303.454 1.721 50 0 DDAARP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000820079502 704217703 /nfs/dbraw/zinc/21/77/03/704217703.db2.gz KPDYSKVJIYSOJI-XWTMOSNGSA-N 2 0 313.445 1.717 50 0 DDAARP CN1C[C@]2(CCC[N@H+](Cc3cccc(CC[NH3+])c3)C2)OC1=O ZINC000072453993 283252419 /nfs/dbraw/zinc/25/24/19/283252419.db2.gz IULXZPQOZJAGIP-KRWDZBQOSA-N 2 0 303.406 1.604 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000252508361 202859021 /nfs/dbraw/zinc/85/90/21/202859021.db2.gz XLKIODAOAUQUEU-GOSISDBHSA-N 3 0 310.530 1.819 50 0 DDAARP CC[NH+](CC)CCC[NH2+]C[C@H](O)COc1ccc(C(C)=O)cc1 ZINC000023623645 182364918 /nfs/dbraw/zinc/36/49/18/182364918.db2.gz CIVWISVCYCIWMI-KRWDZBQOSA-N 2 0 322.449 1.950 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000107150903 407370018 /nfs/dbraw/zinc/37/00/18/407370018.db2.gz SVZUEHYUPFPARQ-CVEARBPZSA-N 2 0 309.454 1.042 50 0 DDAARP C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000126386133 407412337 /nfs/dbraw/zinc/41/23/37/407412337.db2.gz CTTZLWTUTSQGIK-HOCLYGCPSA-N 2 0 319.424 1.858 50 0 DDAARP CC(C)n1cncc1CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000215420648 407484034 /nfs/dbraw/zinc/48/40/34/407484034.db2.gz JPDLISGWONIGBP-UHFFFAOYSA-N 2 0 319.497 1.923 50 0 DDAARP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000158372128 408336481 /nfs/dbraw/zinc/33/64/81/408336481.db2.gz LWMJWCFBWQATAY-DLBZAZTESA-N 2 0 301.434 1.991 50 0 DDAARP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000237041024 163369384 /nfs/dbraw/zinc/36/93/84/163369384.db2.gz JCVFAVSQUUMOCK-HJWJTTGWSA-N 2 0 319.449 1.111 50 0 DDAARP Cc1cc(N2CCC[N@H+](CCN3CCCC3=O)CC2)cc[nH+]1 ZINC000299790186 410630044 /nfs/dbraw/zinc/63/00/44/410630044.db2.gz AYOKMNYKNDYVQW-UHFFFAOYSA-N 2 0 302.422 1.525 50 0 DDAARP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]2CCCO[C@@H]21 ZINC000104363380 418497502 /nfs/dbraw/zinc/49/75/02/418497502.db2.gz DZJIWJFMWWOXKG-JONQDZQNSA-N 2 0 323.481 1.367 50 0 DDAARP C[NH+](C)Cc1cccc(C(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000072294939 191111098 /nfs/dbraw/zinc/11/10/98/191111098.db2.gz CCNSHZWBRXJVMC-UHFFFAOYSA-N 2 0 319.449 1.590 50 0 DDAARP c1cc(OC[C@H]2CCC[NH2+]C2)nc(OC[C@H]2CCC[NH2+]C2)n1 ZINC000601012649 358381629 /nfs/dbraw/zinc/38/16/29/358381629.db2.gz VHVXWXOKOLERDK-KBPBESRZSA-N 2 0 306.410 1.233 50 0 DDAARP CN(Cc1ccccc1C[NH+]1CCCC1)C[C@@]1(O)CCC[NH2+]C1 ZINC000072475099 406882860 /nfs/dbraw/zinc/88/28/60/406882860.db2.gz REEYNNMGZLGACR-LJQANCHMSA-N 2 0 317.477 1.829 50 0 DDAARP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000097681887 407301861 /nfs/dbraw/zinc/30/18/61/407301861.db2.gz CAPJJVOLNGAVGI-GOSISDBHSA-N 2 0 301.434 1.916 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000299740334 229375611 /nfs/dbraw/zinc/37/56/11/229375611.db2.gz YOCSFGNHNNYQQJ-UWWQBHOKSA-N 2 0 316.449 1.408 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237431224 287684034 /nfs/dbraw/zinc/68/40/34/287684034.db2.gz NZQXUJKFBKEWIH-HUUCEWRRSA-N 2 0 310.486 1.131 50 0 DDAARP CC(C)[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102062908 332223149 /nfs/dbraw/zinc/22/31/49/332223149.db2.gz WWQYWKSDTDXFHX-UHFFFAOYSA-N 2 0 305.426 1.253 50 0 DDAARP Cn1cc(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000952849799 775571931 /nfs/dbraw/zinc/57/19/31/775571931.db2.gz QGGLWHMILRFVNI-QAPCUYQASA-N 3 0 319.497 1.249 50 0 DDAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072148731 191055128 /nfs/dbraw/zinc/05/51/28/191055128.db2.gz TUVPGKYPDSSXDH-QGZVFWFLSA-N 2 0 318.421 1.948 50 0 DDAARP CC1(C)C[N@H+](Cc2ccncc2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000092097705 193156954 /nfs/dbraw/zinc/15/69/54/193156954.db2.gz LVGOUYXNNKHXGK-SFHVURJKSA-N 2 0 319.449 1.377 50 0 DDAARP [NH3+]C1CC(c2cc(NCCCCC[NH+]3CCOCC3)ncn2)C1 ZINC000222891977 407562152 /nfs/dbraw/zinc/56/21/52/407562152.db2.gz CIELRVFMXUWXCN-UHFFFAOYSA-N 2 0 319.453 1.596 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000069329851 406697247 /nfs/dbraw/zinc/69/72/47/406697247.db2.gz QSWGHYSHEZIOHY-CQSZACIVSA-N 2 0 308.470 1.821 50 0 DDAARP CCn1cncc1C[NH+]1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000215227037 407480317 /nfs/dbraw/zinc/48/03/17/407480317.db2.gz LRWUYWQZXZPZRB-HNNXBMFYSA-N 2 0 306.454 1.836 50 0 DDAARP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000247024994 408389961 /nfs/dbraw/zinc/38/99/61/408389961.db2.gz RPEYLIGAEINUBE-KBMXLJTQSA-N 2 0 309.454 1.264 50 0 DDAARP C[NH2+]CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249418118 408724863 /nfs/dbraw/zinc/72/48/63/408724863.db2.gz DDGVDVPRXKLRPY-ABAIWWIYSA-N 2 0 313.804 1.808 50 0 DDAARP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000237040978 163369255 /nfs/dbraw/zinc/36/92/55/163369255.db2.gz JCVFAVSQUUMOCK-LLLHUVSDSA-N 2 0 319.449 1.111 50 0 DDAARP Clc1cccc(N2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000864096819 706066365 /nfs/dbraw/zinc/06/63/65/706066365.db2.gz JKRXQEAETSRUDO-INIZCTEOSA-N 2 0 321.852 1.841 50 0 DDAARP CCCS(=O)(=O)NC[C@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000822993576 758259650 /nfs/dbraw/zinc/25/96/50/758259650.db2.gz VTVJUEYSPPSWSZ-AWEZNQCLSA-N 2 0 317.499 1.122 50 0 DDAARP Cc1nc2cc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)ccc2[nH]1 ZINC000823789095 758362884 /nfs/dbraw/zinc/36/28/84/758362884.db2.gz DJYHIHMLLZLGGX-ZDUSSCGKSA-N 2 0 301.438 1.597 50 0 DDAARP CCCCc1c(C)[nH+]c(N)nc1NCC[NH+]1CCC(O)CC1 ZINC000091461172 193059546 /nfs/dbraw/zinc/05/95/46/193059546.db2.gz CONSOHASNNSBIJ-UHFFFAOYSA-N 2 0 307.442 1.578 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+]([C@H]3C[C@@H]4CC[C@H]3C4)CC2)CC1 ZINC000022044948 182306261 /nfs/dbraw/zinc/30/62/61/182306261.db2.gz QYNZLWAIULROHW-RYRKJORJSA-N 2 0 307.482 1.249 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000071871588 184879490 /nfs/dbraw/zinc/87/94/90/184879490.db2.gz REARDKSSSHKOOP-KSSFIOAISA-N 2 0 324.440 1.884 50 0 DDAARP C[NH+](C)CCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006936231 406744284 /nfs/dbraw/zinc/74/42/84/406744284.db2.gz DBAGOYSKCLDZMW-FUHWJXTLSA-N 2 0 306.450 1.983 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(-c3ccoc3)no2)CC1 ZINC000071871158 406856384 /nfs/dbraw/zinc/85/63/84/406856384.db2.gz ZFETVGLUPJRWGH-LBPRGKRZSA-N 2 0 320.393 1.512 50 0 DDAARP O=C(NCCC[NH+]1CCCCC1)c1c[nH]nc1C1CC[NH2+]CC1 ZINC000021873867 406888800 /nfs/dbraw/zinc/88/88/00/406888800.db2.gz PMPSLCNPJUVSLP-UHFFFAOYSA-N 2 0 319.453 1.483 50 0 DDAARP O[C@@]1(CN2CCC[N@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000077504335 406993502 /nfs/dbraw/zinc/99/35/02/406993502.db2.gz SIVWHCUBGGWWQT-IBGZPJMESA-N 2 0 317.477 1.351 50 0 DDAARP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178980276 286772263 /nfs/dbraw/zinc/77/22/63/286772263.db2.gz DPVZJMYAIKCLSM-HNNXBMFYSA-N 2 0 322.497 1.051 50 0 DDAARP C[NH+](C)CC1(CNC(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000096502969 407273072 /nfs/dbraw/zinc/27/30/72/407273072.db2.gz DNUKBEMFYGJNAG-LSDHHAIUSA-N 2 0 310.486 1.890 50 0 DDAARP c1ccc(-c2nc3c(c(N[C@@H]4CCC[NH2+]C4)n2)CC[NH2+]C3)cc1 ZINC000067676337 407279840 /nfs/dbraw/zinc/27/98/40/407279840.db2.gz GKSIGNWSRFNYSE-CQSZACIVSA-N 2 0 309.417 1.953 50 0 DDAARP Cc1noc(C)c1C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067787231 407283979 /nfs/dbraw/zinc/28/39/79/407283979.db2.gz XBRUDCOAMLLIPQ-ZDUSSCGKSA-N 2 0 306.410 1.111 50 0 DDAARP CCc1nccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCCN3C)n1 ZINC000215438130 407484710 /nfs/dbraw/zinc/48/47/10/407484710.db2.gz GOGOKQXKXQMYPJ-UHFFFAOYSA-N 2 0 317.481 1.641 50 0 DDAARP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000253416026 407442708 /nfs/dbraw/zinc/44/27/08/407442708.db2.gz MIRFHXCSFHZCFK-UKRRQHHQSA-N 2 0 311.451 1.154 50 0 DDAARP C[C@H]1CSCC[NH+](CC(O)C[N@H+]2CCSC[C@H](C)C2)C1 ZINC000194838478 408802126 /nfs/dbraw/zinc/80/21/26/408802126.db2.gz XMWWNFXRYIHHKE-ZIAGYGMSSA-N 2 0 318.552 1.717 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CC[NH2+]C1 ZINC000299738647 229369851 /nfs/dbraw/zinc/36/98/51/229369851.db2.gz DMIWIFRKSFNVRP-IJEWVQPXSA-N 2 0 302.422 1.018 50 0 DDAARP CC[NH+]1CCC2(CCC[N@@H+]([C@H](C)CS(C)(=O)=O)C2)CC1 ZINC000670466635 484846547 /nfs/dbraw/zinc/84/65/47/484846547.db2.gz JYRQCCMBRYRCIQ-CQSZACIVSA-N 2 0 302.484 1.617 50 0 DDAARP C[C@@](O)(C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877179 775627772 /nfs/dbraw/zinc/62/77/72/775627772.db2.gz MFDWFMYNXQRVIC-XGXHKWSGSA-N 2 0 318.461 1.573 50 0 DDAARP c1nc2c(c(N3CCC[N@@H+](C4CCCC4)CC3)n1)CC[NH2+]CC2 ZINC000072457895 191173063 /nfs/dbraw/zinc/17/30/63/191173063.db2.gz QYJGPVGPLCWBQP-UHFFFAOYSA-N 2 0 315.465 1.620 50 0 DDAARP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nc2ccccc2o1 ZINC000584901617 354800819 /nfs/dbraw/zinc/80/08/19/354800819.db2.gz QTDNBOSEDAIYSF-AWEZNQCLSA-N 2 0 302.422 1.596 50 0 DDAARP C[NH+](C)Cc1ccc(C[NH2+]CCCO)c2c1OC(F)(F)O2 ZINC000585136536 354812990 /nfs/dbraw/zinc/81/29/90/354812990.db2.gz JYZCYSHWTUNRAA-UHFFFAOYSA-N 2 0 302.321 1.542 50 0 DDAARP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000069464827 406718302 /nfs/dbraw/zinc/71/83/02/406718302.db2.gz CIVVDJLPHPVMGK-BBWFWOEESA-N 2 0 308.470 1.823 50 0 DDAARP Cc1c[nH+]ccc1N1CCN(c2cc(CC[NH3+])nc(C)n2)CC1 ZINC000067841462 407286207 /nfs/dbraw/zinc/28/62/07/407286207.db2.gz IBULREZQZCUNRL-UHFFFAOYSA-N 2 0 312.421 1.316 50 0 DDAARP C[C@H]([NH3+])C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000178869224 407634456 /nfs/dbraw/zinc/63/44/56/407634456.db2.gz XLQUFWXWDGZVQP-KFWWJZLASA-N 2 0 303.450 1.949 50 0 DDAARP CCn1c(C[NH2+]CC2(COC)CCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244899353 407945780 /nfs/dbraw/zinc/94/57/80/407945780.db2.gz ZIGAUXFXSDBDRP-BETUJISGSA-N 2 0 307.442 1.409 50 0 DDAARP c1ccc(C[NH+]2CCN(CCN3CCC[NH2+]CC3)CC2)cc1 ZINC000244748692 407934699 /nfs/dbraw/zinc/93/46/99/407934699.db2.gz OMOJRVSGCBJHIY-UHFFFAOYSA-N 2 0 302.466 1.100 50 0 DDAARP O=C(C[C@H]1C[NH2+]CCO1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000534590847 334294426 /nfs/dbraw/zinc/29/44/26/334294426.db2.gz ONULGIQKXCCKPX-HNNXBMFYSA-N 2 0 309.454 1.280 50 0 DDAARP C[C@@H](CCn1cccn1)[NH+]1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000821740521 758170165 /nfs/dbraw/zinc/17/01/65/758170165.db2.gz NGAZQKYLQLVCDL-INIZCTEOSA-N 2 0 306.454 1.584 50 0 DDAARP CC(C)[C@H]1CN(C(=O)C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752278 191023551 /nfs/dbraw/zinc/02/35/51/191023551.db2.gz DMVYCSKUDMHTQS-MRXNPFEDSA-N 2 0 307.413 1.843 50 0 DDAARP COc1ccc(C2(C[NH2+]C[C@]3(O)CC[NH2+]C3)CCCC2)cc1 ZINC000072476442 191178348 /nfs/dbraw/zinc/17/83/48/191178348.db2.gz YOLSSWDUWHGTEG-SFHVURJKSA-N 2 0 304.434 1.821 50 0 DDAARP C[C@H]1[NH2+]CCCN(CCO)CCC[NH2+][C@@H](C)c2cccc1n2 ZINC000068605058 291188729 /nfs/dbraw/zinc/18/87/29/291188729.db2.gz FUCMCCJMAABLHS-GASCZTMLSA-N 2 0 306.454 1.471 50 0 DDAARP CC[C@H]1CCCCN1C(=O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069627860 406745331 /nfs/dbraw/zinc/74/53/31/406745331.db2.gz SEZGDLKUZUXDHN-INIZCTEOSA-N 2 0 311.470 1.071 50 0 DDAARP Cc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc(N2CCCCC2)[nH+]1 ZINC000095362847 407209373 /nfs/dbraw/zinc/20/93/73/407209373.db2.gz MPGITSNSQDYQEM-CABCVRRESA-N 2 0 301.438 1.949 50 0 DDAARP C[NH+](C)Cc1csc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097173014 407285101 /nfs/dbraw/zinc/28/51/01/407285101.db2.gz ZPLDPBCANSTTJT-OAHLLOKOSA-N 2 0 308.495 1.289 50 0 DDAARP C[N@H+](CCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000106905442 407365833 /nfs/dbraw/zinc/36/58/33/407365833.db2.gz PFNLCJYZYJYSNF-JKSUJKDBSA-N 2 0 324.469 1.023 50 0 DDAARP Cc1cccnc1NCCNc1cc([C@H]2CCOC2)nc(N)n1 ZINC000426573343 419508637 /nfs/dbraw/zinc/50/86/37/419508637.db2.gz XNYYVBIRXUVXHX-LBPRGKRZSA-N 2 0 314.393 1.212 50 0 DDAARP C[C@@H](CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000534632473 334307738 /nfs/dbraw/zinc/30/77/38/334307738.db2.gz XYLZEBRJAFBVPY-AWEZNQCLSA-N 2 0 305.426 1.253 50 0 DDAARP C[C@@H](CNC(=O)C(C)(C)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000084638284 483999437 /nfs/dbraw/zinc/99/94/37/483999437.db2.gz PSBDLWLHQSJFTA-AWEZNQCLSA-N 2 0 303.450 1.890 50 0 DDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760821 484000906 /nfs/dbraw/zinc/00/09/06/484000906.db2.gz ZZNOGZMAMCUGBT-BBWFWOEESA-N 2 0 324.513 1.948 50 0 DDAARP CC[C@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)[N@H+](C)CC ZINC000822544822 758221420 /nfs/dbraw/zinc/22/14/20/758221420.db2.gz FKXDNYVWCABIOW-MRXNPFEDSA-N 2 0 311.470 1.164 50 0 DDAARP CCc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000091574188 193074752 /nfs/dbraw/zinc/07/47/52/193074752.db2.gz YWWNMEGXYAMPGP-CABCVRRESA-N 2 0 317.437 1.049 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019889915 182161043 /nfs/dbraw/zinc/16/10/43/182161043.db2.gz DRWMEGVNEKMVAV-UHFFFAOYSA-N 2 0 303.450 1.261 50 0 DDAARP COCC[N@@H+]1CCC[C@]2(CC[NH+](CCCn3cccn3)C2)C1 ZINC000014978118 406877656 /nfs/dbraw/zinc/87/76/56/406877656.db2.gz BSFMYPMJCHVOQU-QGZVFWFLSA-N 2 0 306.454 1.708 50 0 DDAARP O=C1Nc2ccccc2NC12CC[NH+](C1CC[NH2+]CC1)CC2 ZINC000082091538 407080764 /nfs/dbraw/zinc/08/07/64/407080764.db2.gz PUQNCLVGDRKHMV-UHFFFAOYSA-N 2 0 300.406 1.637 50 0 DDAARP CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@H]1CC[NH2+]C1 ZINC000214985466 407480853 /nfs/dbraw/zinc/48/08/53/407480853.db2.gz XRDVZMXEAPZERQ-LBPRGKRZSA-N 2 0 316.405 1.572 50 0 DDAARP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000097378135 337382729 /nfs/dbraw/zinc/38/27/29/337382729.db2.gz YDDFRKOIFLLNQU-CYBMUJFWSA-N 2 0 310.360 1.344 50 0 DDAARP C[NH+](C)C[C@]1(CO)CCCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000952970651 721529367 /nfs/dbraw/zinc/52/93/67/721529367.db2.gz LKJBFNTVFGDOMJ-GOSISDBHSA-N 2 0 311.514 1.887 50 0 DDAARP CO[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1([NH+]2CCCCC2)CCCCC1 ZINC000952980846 721531339 /nfs/dbraw/zinc/53/13/39/721531339.db2.gz MKHVAXAYBHNVOF-JKSUJKDBSA-N 2 0 323.481 1.668 50 0 DDAARP CCn1cc(C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cn1 ZINC000072425858 191159810 /nfs/dbraw/zinc/15/98/10/191159810.db2.gz AEKLMJQGBVPRTL-OAHLLOKOSA-N 2 0 306.454 1.836 50 0 DDAARP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000237325085 202231920 /nfs/dbraw/zinc/23/19/20/202231920.db2.gz HLIFBWOZVIGDIG-CABCVRRESA-N 2 0 319.449 1.826 50 0 DDAARP CCNC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065605609 184371364 /nfs/dbraw/zinc/37/13/64/184371364.db2.gz GQJMORUKUBVPOR-GASCZTMLSA-N 2 0 311.470 1.334 50 0 DDAARP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000294919375 224310726 /nfs/dbraw/zinc/31/07/26/224310726.db2.gz FNWSQLHMAOBZHR-DZUCGIPZSA-N 2 0 301.434 1.575 50 0 DDAARP COCCn1cnnc1[C@@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067457970 407274029 /nfs/dbraw/zinc/27/40/29/407274029.db2.gz GPHHOAKYUYMAEB-CQSZACIVSA-N 2 0 321.469 1.888 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000299738814 410604148 /nfs/dbraw/zinc/60/41/48/410604148.db2.gz GTYGEGXCAUMQSN-TWMKSMIVSA-N 2 0 322.497 1.131 50 0 DDAARP O[C@H]1C[C@H]([C@@H]([NH2+]C2CSCCSC2)C2CC[NH2+]CC2)C1 ZINC000244626671 304842645 /nfs/dbraw/zinc/84/26/45/304842645.db2.gz FQIDCFXJBWQUGZ-QEJZJMRPSA-N 2 0 316.536 1.564 50 0 DDAARP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C\C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC000886000454 708679597 /nfs/dbraw/zinc/67/95/97/708679597.db2.gz ILXKADWHYPCQNI-VHSQFECRSA-N 2 0 310.482 1.728 50 0 DDAARP C[NH+]1CCC(CCC(=O)NCCC[N@@H+]2CCC[C@H](O)C2)CC1 ZINC000823761171 758349790 /nfs/dbraw/zinc/34/97/90/758349790.db2.gz QCWINMFKKRSDRX-INIZCTEOSA-N 2 0 311.470 1.071 50 0 DDAARP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082138593 192360904 /nfs/dbraw/zinc/36/09/04/192360904.db2.gz JBVPAVBYICKQKZ-OAHLLOKOSA-N 2 0 302.422 1.162 50 0 DDAARP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000333646526 249054773 /nfs/dbraw/zinc/05/47/73/249054773.db2.gz JCILMGAXDHIYGX-OWCLPIDISA-N 2 0 302.422 1.265 50 0 DDAARP Cc1cc(N(C)C)nc(NCC2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000072276360 406877433 /nfs/dbraw/zinc/87/74/33/406877433.db2.gz OGDOWBCALLNTBF-ZDUSSCGKSA-N 2 0 307.442 1.356 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000071847531 279277543 /nfs/dbraw/zinc/27/75/43/279277543.db2.gz SEDQPAPZLZDOFK-INIZCTEOSA-N 2 0 311.470 1.478 50 0 DDAARP CCn1c(=O)n(CC[NH+](C)C)nc1[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000067982372 696365855 /nfs/dbraw/zinc/36/58/55/696365855.db2.gz NPRRARZIUIORNS-OAHLLOKOSA-N 2 0 323.485 1.462 50 0 DDAARP C[C@H]1CCCC[N@@H+]1C1CN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072418349 191157321 /nfs/dbraw/zinc/15/73/21/191157321.db2.gz BSCZYPVCDVOVFM-ZDUSSCGKSA-N 2 0 301.438 1.228 50 0 DDAARP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584887863 354790587 /nfs/dbraw/zinc/79/05/87/354790587.db2.gz LBEHQCIESWYWHY-OAHLLOKOSA-N 2 0 307.413 1.451 50 0 DDAARP Cc1nc(N2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc(N)[nH+]1 ZINC000091707238 193094838 /nfs/dbraw/zinc/09/48/38/193094838.db2.gz AAXHOCLMXJYRAH-LBPRGKRZSA-N 2 0 305.426 1.304 50 0 DDAARP CC[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069627857 406746783 /nfs/dbraw/zinc/74/67/83/406746783.db2.gz SEZGDLKUZUXDHN-MRXNPFEDSA-N 2 0 311.470 1.071 50 0 DDAARP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069521332 406728228 /nfs/dbraw/zinc/72/82/28/406728228.db2.gz XCJMZNXOHSRKPX-HNNXBMFYSA-N 2 0 315.421 1.323 50 0 DDAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@H](C)n2cccn2)CC1 ZINC000069813345 406776821 /nfs/dbraw/zinc/77/68/21/406776821.db2.gz LGJGXECJLUCRIM-KBPBESRZSA-N 2 0 307.442 1.023 50 0 DDAARP CCSCCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000071821558 406846778 /nfs/dbraw/zinc/84/67/78/406846778.db2.gz IQGPVWFBYDWBMG-UHFFFAOYSA-N 2 0 301.500 1.614 50 0 DDAARP CC(C)([NH3+])C(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072420298 406881923 /nfs/dbraw/zinc/88/19/23/406881923.db2.gz OJWNNUOFMBIEDU-HNNXBMFYSA-N 2 0 301.434 1.472 50 0 DDAARP C[NH+](C)CC(=O)NCCCC1=CC[N@H+](Cc2ccccn2)CC1 ZINC000067459191 407273748 /nfs/dbraw/zinc/27/37/48/407273748.db2.gz MNHAKINNOQJSIL-UHFFFAOYSA-N 2 0 316.449 1.672 50 0 DDAARP CCn1c(=O)n(CC[NH+]2CCCCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067909403 407289836 /nfs/dbraw/zinc/28/98/36/407289836.db2.gz CHYNATSPDYHTGG-OAHLLOKOSA-N 2 0 321.469 1.408 50 0 DDAARP COc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1OCC[NH+](C)C ZINC000097713607 407301958 /nfs/dbraw/zinc/30/19/58/407301958.db2.gz GQZLASQZCNQSMG-MRXNPFEDSA-N 2 0 321.465 1.949 50 0 DDAARP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822775 407948181 /nfs/dbraw/zinc/94/81/81/407948181.db2.gz YSDSBESULOPBAH-CPUCHLNUSA-N 2 0 305.422 1.335 50 0 DDAARP CC(C)C[NH+](CC(C)C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000020630040 278846130 /nfs/dbraw/zinc/84/61/30/278846130.db2.gz GUWHVSQOEHNCEB-UHFFFAOYSA-N 2 0 324.469 1.574 50 0 DDAARP Cc1ccc(C)c(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1 ZINC000091586451 696589809 /nfs/dbraw/zinc/58/98/09/696589809.db2.gz WXBHQSAMFZPDQU-QZTJIDSGSA-N 2 0 306.450 1.268 50 0 DDAARP CCc1nnc2n1C[C@H]1CC[C@@H](C2)[N@@H+]1C1CCN(CC)CC1 ZINC000675020426 737521645 /nfs/dbraw/zinc/52/16/45/737521645.db2.gz RMCBBFJBXVMZLC-LSDHHAIUSA-N 2 0 303.454 1.714 50 0 DDAARP C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000825031236 759221160 /nfs/dbraw/zinc/22/11/60/759221160.db2.gz GDZAOPXLNCKODQ-LZWOXQAQSA-N 2 0 309.454 1.181 50 0 DDAARP CN(Cc1cccc(O)c1)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072134451 191046378 /nfs/dbraw/zinc/04/63/78/191046378.db2.gz YXNKRPHWFQNJTD-HNNXBMFYSA-N 2 0 303.406 1.082 50 0 DDAARP CCN(Cc1ccncc1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072165246 191064599 /nfs/dbraw/zinc/06/45/99/191064599.db2.gz IYQMIFMCTDGKBO-OAHLLOKOSA-N 2 0 302.422 1.162 50 0 DDAARP CN(C(=O)C1([NH3+])CC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072433481 191164026 /nfs/dbraw/zinc/16/40/26/191164026.db2.gz JPICYFOTHWNHMB-INIZCTEOSA-N 2 0 301.434 1.643 50 0 DDAARP c1nc2c(c(NC[C@H]3CC[N@@H+](C4CCCC4)C3)n1)CC[NH2+]CC2 ZINC000072447803 191169274 /nfs/dbraw/zinc/16/92/74/191169274.db2.gz QRBFRXHZQPDYNP-CQSZACIVSA-N 2 0 315.465 1.841 50 0 DDAARP COc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)cc1OC ZINC000069418460 406710111 /nfs/dbraw/zinc/71/01/11/406710111.db2.gz COVGGTJCHQCTOR-UHFFFAOYSA-N 2 0 308.422 1.498 50 0 DDAARP Fc1c(F)c(N2CC[NH2+]CC2)c(F)c(F)c1N1CC[NH2+]CC1 ZINC000095217806 407206806 /nfs/dbraw/zinc/20/68/06/407206806.db2.gz LRTCJFIHCNYPQX-UHFFFAOYSA-N 2 0 318.318 1.062 50 0 DDAARP COCCc1noc(CN2CCC(Cn3ccnc3C)CC2)n1 ZINC000244734895 407934828 /nfs/dbraw/zinc/93/48/28/407934828.db2.gz NNOGRWLFLWVXBX-UHFFFAOYSA-N 2 0 319.409 1.676 50 0 DDAARP C[C@@H]1CSCC[NH+](CC(O)C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000248759380 408629240 /nfs/dbraw/zinc/62/92/40/408629240.db2.gz XMWWNFXRYIHHKE-KBPBESRZSA-N 2 0 318.552 1.717 50 0 DDAARP CCN1CCC([N@@H+]2C[C@@H](COC)[C@H](c3nc(C)no3)C2)CC1 ZINC000253409452 408814827 /nfs/dbraw/zinc/81/48/27/408814827.db2.gz LVXDHXCDLBEIJP-DZGCQCFKSA-N 2 0 308.426 1.524 50 0 DDAARP C1CCC([NH+]2CCC(N[C@H]3COC[C@@H]3[NH+]3CCCC3)CC2)C1 ZINC000820414151 758100624 /nfs/dbraw/zinc/10/06/24/758100624.db2.gz JYGDERUESJPBDG-ROUUACIJSA-N 2 0 307.482 1.846 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000079018916 185146895 /nfs/dbraw/zinc/14/68/95/185146895.db2.gz SVZUEHYUPFPARQ-HOTGVXAUSA-N 2 0 309.454 1.042 50 0 DDAARP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000095466772 185371683 /nfs/dbraw/zinc/37/16/83/185371683.db2.gz ZQOAMZQWUSBIMG-QGZVFWFLSA-N 2 0 303.450 1.891 50 0 DDAARP C[NH+]1CCC(O)(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584887862 354790303 /nfs/dbraw/zinc/79/03/03/354790303.db2.gz LBEHQCIESWYWHY-HNNXBMFYSA-N 2 0 307.413 1.451 50 0 DDAARP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCc1nc2ccccc2o1 ZINC000584901618 354800684 /nfs/dbraw/zinc/80/06/84/354800684.db2.gz QTDNBOSEDAIYSF-CQSZACIVSA-N 2 0 302.422 1.596 50 0 DDAARP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc2c1OCO2 ZINC000042229093 183245055 /nfs/dbraw/zinc/24/50/55/183245055.db2.gz LFZLKXOKWPUIRR-GFCCVEGCSA-N 2 0 304.390 1.998 50 0 DDAARP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1Cn1cccn1 ZINC000065394922 184334329 /nfs/dbraw/zinc/33/43/29/184334329.db2.gz VCQIJCDYBLKYFM-OAHLLOKOSA-N 2 0 300.406 1.721 50 0 DDAARP Cc1cc(N2CC[NH+](CCc3cccs3)CC2)nc(N)[nH+]1 ZINC000057141356 407213901 /nfs/dbraw/zinc/21/39/01/407213901.db2.gz HPHHYGHVXJVZJO-UHFFFAOYSA-N 2 0 303.435 1.793 50 0 DDAARP C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3c[nH+]ccc3N)c2)C1 ZINC000426473727 419481056 /nfs/dbraw/zinc/48/10/56/419481056.db2.gz XHIQIOPLVLMPBI-HNNXBMFYSA-N 2 0 310.401 1.937 50 0 DDAARP CN(C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccco1 ZINC000229150434 484165375 /nfs/dbraw/zinc/16/53/75/484165375.db2.gz RGSKOWXIPUQQIS-QLFBSQMISA-N 2 0 320.437 1.808 50 0 DDAARP CC(C)[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802799 761709896 /nfs/dbraw/zinc/70/98/96/761709896.db2.gz OWQYFNCCLOVTCO-HNNXBMFYSA-N 2 0 309.454 1.040 50 0 DDAARP Cc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC2)cc1 ZINC000082106186 192356295 /nfs/dbraw/zinc/35/62/95/192356295.db2.gz DZOZRQXCKBCGFT-KRWDZBQOSA-N 2 0 319.449 1.821 50 0 DDAARP C[C@@H]([NH3+])C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000237441818 186289540 /nfs/dbraw/zinc/28/95/40/186289540.db2.gz XLQUFWXWDGZVQP-SOUVJXGZSA-N 2 0 303.450 1.949 50 0 DDAARP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000006548821 181353070 /nfs/dbraw/zinc/35/30/70/181353070.db2.gz SWVJLLXHTRPJLS-MRXNPFEDSA-N 2 0 322.449 1.806 50 0 DDAARP O[C@@]1(C[NH2+]CCCNc2cccnc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844477 407236700 /nfs/dbraw/zinc/23/67/00/407236700.db2.gz FDSGIGDPCNKYGF-QZTJIDSGSA-N 2 0 318.465 1.853 50 0 DDAARP C[N@H+](C[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167874 698745831 /nfs/dbraw/zinc/74/58/31/698745831.db2.gz JHMKVBLQGZCYBU-NXHRZFHOSA-N 2 0 303.450 1.116 50 0 DDAARP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333154776 539317521 /nfs/dbraw/zinc/31/75/21/539317521.db2.gz FNWSQLHMAOBZHR-SIXLDLHFSA-N 2 0 301.434 1.575 50 0 DDAARP [NH3+][C@@H]1c2ccccc2C2(CC[NH+](Cc3ccccn3)CC2)[C@H]1O ZINC000072166548 191067416 /nfs/dbraw/zinc/06/74/16/191067416.db2.gz RSIUJEVSLOKQIJ-MSOLQXFVSA-N 2 0 309.413 1.990 50 0 DDAARP Cc1cc(N2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)nc(N)[nH+]1 ZINC000072463710 191173728 /nfs/dbraw/zinc/17/37/28/191173728.db2.gz VPBFZLPVBCYHBB-OAHLLOKOSA-N 2 0 319.453 1.573 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237517921 202269208 /nfs/dbraw/zinc/26/92/08/202269208.db2.gz WJEGRDZGIGAOIA-PVAVHDDUSA-N 2 0 316.449 1.550 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOCC(F)(F)F)CC1 ZINC000069778479 406770669 /nfs/dbraw/zinc/77/06/69/406770669.db2.gz MHZOWABOHLJETB-LBPRGKRZSA-N 2 0 312.376 1.590 50 0 DDAARP C[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000230118030 407681693 /nfs/dbraw/zinc/68/16/93/407681693.db2.gz RNCVPSNVHSEMGN-GOEBONIOSA-N 2 0 321.490 1.843 50 0 DDAARP CSCC[NH+]1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(C)n2)CC1 ZINC000244691634 407932462 /nfs/dbraw/zinc/93/24/62/407932462.db2.gz JGGVLAFLDQPWJO-HDJSIYSDSA-N 2 0 321.494 1.475 50 0 DDAARP C[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000534632192 334307955 /nfs/dbraw/zinc/30/79/55/334307955.db2.gz COYNFTPDAPPYKY-KRWDZBQOSA-N 2 0 316.449 1.738 50 0 DDAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCC2(C[NH+]3CCCC3)CC2)C1 ZINC000534650040 334311739 /nfs/dbraw/zinc/31/17/39/334311739.db2.gz GNTMHBZJSMTOTK-INIZCTEOSA-N 2 0 323.481 1.478 50 0 DDAARP O[C@@]1(C[NH+]2CCN(CCc3ccccc3)CC2)CCC[NH2+]CC1 ZINC000952992152 721533452 /nfs/dbraw/zinc/53/34/52/721533452.db2.gz AXVKEDGUTRNMEW-IBGZPJMESA-N 2 0 317.477 1.351 50 0 DDAARP Cn1cc(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000952849800 775571650 /nfs/dbraw/zinc/57/16/50/775571650.db2.gz QGGLWHMILRFVNI-YJBOKZPZSA-N 3 0 319.497 1.249 50 0 DDAARP O[C@@]1(C[NH2+]CCc2csc(-c3ccncc3)n2)CCC[NH2+]C1 ZINC000072421183 191158311 /nfs/dbraw/zinc/15/83/11/191158311.db2.gz LUVMVFKBLBDFDL-INIZCTEOSA-N 2 0 318.446 1.452 50 0 DDAARP C[NH2+]Cc1cn(CC2CC[NH+](Cc3cccs3)CC2)nn1 ZINC000019335541 182116863 /nfs/dbraw/zinc/11/68/63/182116863.db2.gz PBRQEUKNYKAXDZ-UHFFFAOYSA-N 2 0 305.451 1.971 50 0 DDAARP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000366319975 257235199 /nfs/dbraw/zinc/23/51/99/257235199.db2.gz DCYYERUCOWBPCE-IMJJTQAJSA-N 2 0 302.422 1.160 50 0 DDAARP COc1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c(OCC[NH3+])c1 ZINC000426376283 533311883 /nfs/dbraw/zinc/31/18/83/533311883.db2.gz FITZEWODIZDTJJ-CYBMUJFWSA-N 2 0 321.421 1.056 50 0 DDAARP Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000222349923 407557893 /nfs/dbraw/zinc/55/78/93/407557893.db2.gz SEQNAPUFJPKXET-UHFFFAOYSA-N 2 0 317.437 1.362 50 0 DDAARP CCn1nc(C)c(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000069347488 406698236 /nfs/dbraw/zinc/69/82/36/406698236.db2.gz MEZINHKJASRFGQ-ZDUSSCGKSA-N 2 0 308.470 1.702 50 0 DDAARP O[C@@]1(CN2CC([NH+]3CCCCC3)C2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063869120 407236124 /nfs/dbraw/zinc/23/61/24/407236124.db2.gz LZGAYNSFRSSDDL-QZTJIDSGSA-N 2 0 307.482 1.536 50 0 DDAARP O=C(N1CC=C(c2ccc(F)cc2)CC1)C12C[NH2+]CC1C[NH2+]C2 ZINC000096136663 407239256 /nfs/dbraw/zinc/23/92/56/407239256.db2.gz HDNMQRJPOZGATD-UHFFFAOYSA-N 2 0 315.392 1.250 50 0 DDAARP O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@@H]1C=CC[NH2+]1 ZINC000299795709 410635554 /nfs/dbraw/zinc/63/55/54/410635554.db2.gz LBFBJGJJQQDIFJ-INIZCTEOSA-N 2 0 303.381 1.434 50 0 DDAARP O=C(C[NH+]1CCCCCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000952980282 721531391 /nfs/dbraw/zinc/53/13/91/721531391.db2.gz ZBDUGRHFGRQSIK-KRWDZBQOSA-N 2 0 323.481 1.622 50 0 DDAARP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333154777 539317505 /nfs/dbraw/zinc/31/75/05/539317505.db2.gz FNWSQLHMAOBZHR-SVGFKBNWSA-N 2 0 301.434 1.575 50 0 DDAARP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CO)o1)C2 ZINC000685940604 539563968 /nfs/dbraw/zinc/56/39/68/539563968.db2.gz DIOCTZXYNNXHAP-VQHPVUNQSA-N 2 0 308.422 1.341 50 0 DDAARP [NH3+][C@H]1CCC[C@@H]1C(=O)NCc1ccccc1CN1CCOCC1 ZINC000237855307 202371458 /nfs/dbraw/zinc/37/14/58/202371458.db2.gz VDPVERRDVGUOCZ-IRXDYDNUSA-N 2 0 317.433 1.262 50 0 DDAARP C[N@H+](Cc1cn(C2CC[NH2+]CC2)nn1)[C@H]1CCOC(C)(C)C1 ZINC000082039590 407080441 /nfs/dbraw/zinc/08/04/41/407080441.db2.gz FLWHYRQITGSZKQ-HNNXBMFYSA-N 2 0 307.442 1.592 50 0 DDAARP Cc1cccnc1NCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063833912 407235461 /nfs/dbraw/zinc/23/54/61/407235461.db2.gz LCLRTWFQGITDQN-SJLPKXTDSA-N 2 0 318.465 1.771 50 0 DDAARP CCN1CCC([N@@H+]2CCC[C@@H](Cn3cc(COC)nn3)C2)CC1 ZINC000257193410 407486360 /nfs/dbraw/zinc/48/63/60/407486360.db2.gz ROQXTKLIWPKCAU-OAHLLOKOSA-N 2 0 321.469 1.621 50 0 DDAARP C[C@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000408518126 418807358 /nfs/dbraw/zinc/80/73/58/418807358.db2.gz VIXYGGRBRMFEDR-OAHLLOKOSA-N 2 0 311.470 1.286 50 0 DDAARP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000097238762 337382549 /nfs/dbraw/zinc/38/25/49/337382549.db2.gz GJICIQSRBCCDHO-ZBFHGGJFSA-N 2 0 311.470 1.190 50 0 DDAARP C[NH+](C)C1(CNC(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000864094271 706065874 /nfs/dbraw/zinc/06/58/74/706065874.db2.gz OEDXLHNCIFHGSJ-UHFFFAOYSA-N 2 0 317.437 1.575 50 0 DDAARP COCCn1cnnc1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067655077 190713468 /nfs/dbraw/zinc/71/34/68/190713468.db2.gz QXOHPKPHVQCITI-UHFFFAOYSA-N 2 0 321.469 1.369 50 0 DDAARP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000521396571 257240176 /nfs/dbraw/zinc/24/01/76/257240176.db2.gz WJEGRDZGIGAOIA-UAGQMJEPSA-N 2 0 316.449 1.550 50 0 DDAARP CC[NH+]1CCC(N2CCCN(Cc3nonc3C)CC2)CC1 ZINC000521394846 257240823 /nfs/dbraw/zinc/24/08/23/257240823.db2.gz PJNIEBFQEDCRKX-UHFFFAOYSA-N 2 0 307.442 1.370 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccncc2)CC1 ZINC000069658904 406750830 /nfs/dbraw/zinc/75/08/30/406750830.db2.gz YGFDPMRLMRNLBM-CQSZACIVSA-N 2 0 320.437 1.045 50 0 DDAARP O=C1Nc2ccccc2NC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000082116128 407080745 /nfs/dbraw/zinc/08/07/45/407080745.db2.gz IIBDQKRERADIET-AWEZNQCLSA-N 2 0 314.433 1.885 50 0 DDAARP C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000095362968 407208765 /nfs/dbraw/zinc/20/87/65/407208765.db2.gz VIXUCYOCBWMNOJ-CQSZACIVSA-N 2 0 321.469 1.278 50 0 DDAARP COCC(=O)N1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067879490 407288756 /nfs/dbraw/zinc/28/87/56/407288756.db2.gz QDXRBMNUYKRITI-UHFFFAOYSA-N 2 0 323.481 1.480 50 0 DDAARP c1c(C[N@@H+]2CCC[C@]3(CCCO3)CC2)nn2c1C[NH2+]CCC2 ZINC000215805638 407489838 /nfs/dbraw/zinc/48/98/38/407489838.db2.gz FIYWWBQMTQONML-KRWDZBQOSA-N 2 0 304.438 1.912 50 0 DDAARP O=C(NCC[NH+]1CCCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000216459764 407495184 /nfs/dbraw/zinc/49/51/84/407495184.db2.gz WLZRWLLLUKFEJZ-KRWDZBQOSA-N 2 0 301.434 1.979 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000299740168 410604789 /nfs/dbraw/zinc/60/47/89/410604789.db2.gz WOLCXAMZOAZHES-VVLHAWIVSA-N 2 0 322.497 1.131 50 0 DDAARP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000299738455 288151980 /nfs/dbraw/zinc/15/19/80/288151980.db2.gz AXXXGMYQHFWVOR-YALNPMBYSA-N 2 0 323.481 1.462 50 0 DDAARP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000097238764 337382520 /nfs/dbraw/zinc/38/25/20/337382520.db2.gz GJICIQSRBCCDHO-GDBMZVCRSA-N 2 0 311.470 1.190 50 0 DDAARP O=C(C[NH+]1CCCCCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000952980285 721531103 /nfs/dbraw/zinc/53/11/03/721531103.db2.gz ZBDUGRHFGRQSIK-QGZVFWFLSA-N 2 0 323.481 1.622 50 0 DDAARP CCc1ccc(CN(C)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc1 ZINC000072162456 191063034 /nfs/dbraw/zinc/06/30/34/191063034.db2.gz KOAIWIOMLINPET-MRXNPFEDSA-N 2 0 316.449 1.334 50 0 DDAARP Cc1cc(C)n(CCCN(C)Cc2cc3n(n2)CC[NH2+]C3)n1 ZINC000072166815 191066075 /nfs/dbraw/zinc/06/60/75/191066075.db2.gz CYQMTXHXMUTAMC-UHFFFAOYSA-N 2 0 302.426 1.322 50 0 DDAARP O[C@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CCC[NH2+]C1 ZINC000077537522 406995679 /nfs/dbraw/zinc/99/56/79/406995679.db2.gz ZPQSEOKFTMNTDP-QGZVFWFLSA-N 2 0 305.422 1.177 50 0 DDAARP O[C@@]1(C[NH2+]CC2(Cn3cccn3)CC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063869827 407236063 /nfs/dbraw/zinc/23/60/63/407236063.db2.gz BNZZUXPVWYQOJE-SJLPKXTDSA-N 2 0 318.465 1.632 50 0 DDAARP CN1CC[NH+](CCCC[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000097159407 407284297 /nfs/dbraw/zinc/28/42/97/407284297.db2.gz FQKOWJORFPDYJS-UHFFFAOYSA-N 2 0 307.486 1.824 50 0 DDAARP C[C@H](c1cccnc1)N1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000269300611 408260893 /nfs/dbraw/zinc/26/08/93/408260893.db2.gz QIKMHGHUFYVMPC-INMHGKMJSA-N 2 0 316.449 1.804 50 0 DDAARP C[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000426574997 419511682 /nfs/dbraw/zinc/51/16/82/419511682.db2.gz JWHZKKFBWLOZQS-MRXNPFEDSA-N 2 0 304.438 1.594 50 0 DDAARP c1cn([C@H]2C[NH+]3CCC2CC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072447444 304859579 /nfs/dbraw/zinc/85/95/79/304859579.db2.gz BJORTMIDDPEJHE-INIZCTEOSA-N 2 0 312.421 1.507 50 0 DDAARP C[C@H](CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000534632474 334307723 /nfs/dbraw/zinc/30/77/23/334307723.db2.gz XYLZEBRJAFBVPY-CQSZACIVSA-N 2 0 305.426 1.253 50 0 DDAARP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)C1 ZINC000864097532 706066300 /nfs/dbraw/zinc/06/63/00/706066300.db2.gz YKZDTAGPCJRCPJ-QCZKYFFMSA-N 2 0 318.343 1.459 50 0 DDAARP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C[C@H]1c1ccccc1 ZINC000864096513 706066441 /nfs/dbraw/zinc/06/64/41/706066441.db2.gz BVGDAJWUKQJRTH-ZACQAIPSSA-N 3 0 301.434 1.039 50 0 DDAARP CCC[N@@H+]1CCCn2nc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2C1 ZINC000082097939 192355412 /nfs/dbraw/zinc/35/54/12/192355412.db2.gz JYJCTZXPASEILW-UONOGXRCSA-N 2 0 319.453 1.242 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)c1OC ZINC000072174267 191070952 /nfs/dbraw/zinc/07/09/52/191070952.db2.gz ILDIXOJFIITVPV-GOSISDBHSA-N 2 0 322.449 1.982 50 0 DDAARP O=C(C[NH+]1CCCCCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000584895529 354796072 /nfs/dbraw/zinc/79/60/72/354796072.db2.gz HBKVYKNGSHIULX-UHFFFAOYSA-N 2 0 323.481 1.576 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000069897184 406788798 /nfs/dbraw/zinc/78/87/98/406788798.db2.gz LNJZLIXCNFUCKY-AWEZNQCLSA-N 2 0 319.449 1.310 50 0 DDAARP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095378677 407211203 /nfs/dbraw/zinc/21/12/03/407211203.db2.gz DGARNVXGEGSYST-INIZCTEOSA-N 2 0 316.449 1.995 50 0 DDAARP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(Cc3ccncc3)CC2)C1 ZINC000130390038 407683331 /nfs/dbraw/zinc/68/33/31/407683331.db2.gz KYEHTEKTRYWDAI-SFHVURJKSA-N 2 0 318.465 1.308 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCC[NH2+]1 ZINC000299741152 229378126 /nfs/dbraw/zinc/37/81/26/229378126.db2.gz DCYYERUCOWBPCE-VNQPRFMTSA-N 2 0 302.422 1.160 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000585120858 422307379 /nfs/dbraw/zinc/30/73/79/422307379.db2.gz QSARNKZVFQFLLV-IAGOWNOFSA-N 2 0 317.433 1.592 50 0 DDAARP O=C(NCCCCc1ccccn1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072164011 191063478 /nfs/dbraw/zinc/06/34/78/191063478.db2.gz PHALXUSZUAJGAC-INIZCTEOSA-N 2 0 316.449 1.252 50 0 DDAARP CN(CCC[NH+]1CCCCCC1)c1ncnc2c1CC[NH2+]CC2 ZINC000072411579 191154089 /nfs/dbraw/zinc/15/40/89/191154089.db2.gz QWGYNEFFYBRPRT-UHFFFAOYSA-N 2 0 317.481 1.867 50 0 DDAARP CC1(C(=O)NCCC[NH+]2Cc3ccccc3C2)CC[NH2+]CC1 ZINC000097294546 193704827 /nfs/dbraw/zinc/70/48/27/193704827.db2.gz AGFIOHFTHCKJDK-UHFFFAOYSA-N 2 0 301.434 1.898 50 0 DDAARP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067675794 407279900 /nfs/dbraw/zinc/27/99/00/407279900.db2.gz FLNPPDJBALQVHF-OAHLLOKOSA-N 2 0 305.422 1.704 50 0 DDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](CC1CC1)CC2 ZINC000257181993 407484651 /nfs/dbraw/zinc/48/46/51/407484651.db2.gz OICMCBLDAGPNBJ-MRXNPFEDSA-N 2 0 321.465 1.042 50 0 DDAARP CC(C)c1nccn1CCC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000952990196 721533189 /nfs/dbraw/zinc/53/31/89/721533189.db2.gz WMCWUUJLQOOEKP-INIZCTEOSA-N 2 0 307.486 1.622 50 0 DDAARP C[C@H](C1CC[NH+](Cc2cccnc2N)CC1)[NH+]1CCOCC1 ZINC000072447097 191169365 /nfs/dbraw/zinc/16/93/65/191169365.db2.gz IQOJAMWTAHBZPG-CQSZACIVSA-N 2 0 304.438 1.597 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000069392239 406706519 /nfs/dbraw/zinc/70/65/19/406706519.db2.gz VUKCJXITFAQJJT-UHFFFAOYSA-N 2 0 302.418 1.756 50 0 DDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NC1Cc3ccccc3C1)CC[NH2+]CC2 ZINC000072433320 406883296 /nfs/dbraw/zinc/88/32/96/406883296.db2.gz GRCIZVSHDCCZQK-QGZVFWFLSA-N 2 0 313.445 1.344 50 0 DDAARP Nc1nnc(CCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000067965189 407291630 /nfs/dbraw/zinc/29/16/30/407291630.db2.gz QIFQYTDWGYZXEN-UHFFFAOYSA-N 2 0 309.483 1.955 50 0 DDAARP CC1(C)CC([NH2+][C@H]2C[C@@H](c3cc(=O)[nH]c(N)n3)C2)CC(C)(C)[NH2+]1 ZINC000253535945 407456720 /nfs/dbraw/zinc/45/67/20/407456720.db2.gz ZAZSLFQYRRVIRP-PHIMTYICSA-N 2 0 319.453 1.909 50 0 DDAARP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC3)c2)C1 ZINC000246203727 408175367 /nfs/dbraw/zinc/17/53/67/408175367.db2.gz JMQCDLHMEOLJFJ-IRXDYDNUSA-N 2 0 317.433 1.262 50 0 DDAARP Cc1nc2cc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)ccc2[nH]1 ZINC000823789094 758362443 /nfs/dbraw/zinc/36/24/43/758362443.db2.gz DJYHIHMLLZLGGX-CYBMUJFWSA-N 2 0 301.438 1.597 50 0 DDAARP COc1ccc(C[N@H+](C)CC2CC[NH+](CCO)CC2)cc1F ZINC000069738465 406763343 /nfs/dbraw/zinc/76/33/43/406763343.db2.gz RWSRJYIIDUZMPY-UHFFFAOYSA-N 2 0 310.413 1.970 50 0 DDAARP CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000067695946 407280283 /nfs/dbraw/zinc/28/02/83/407280283.db2.gz BYIRTSWTQQREEF-QGZVFWFLSA-N 2 0 324.469 1.274 50 0 DDAARP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(c3ccccc3)CC2)C1 ZINC000097480278 407298597 /nfs/dbraw/zinc/29/85/97/407298597.db2.gz YWOSWCFBQBDIKE-SFHVURJKSA-N 2 0 315.461 1.934 50 0 DDAARP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1 ZINC000097674093 407301014 /nfs/dbraw/zinc/30/10/14/407301014.db2.gz IYYISURFLLHPNG-KRWDZBQOSA-N 2 0 319.449 1.325 50 0 DDAARP CCc1oc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1C[NH+]1CCCC1 ZINC000097717241 407301613 /nfs/dbraw/zinc/30/16/13/407301613.db2.gz KEMKNXVQCJALEM-AWEZNQCLSA-N 2 0 321.421 1.156 50 0 DDAARP COc1ccc(/C=C/CN2CCN3CC[N@H+](C)C[C@@H]3C2)cc1 ZINC000107435117 407375004 /nfs/dbraw/zinc/37/50/04/407375004.db2.gz ZJBBZNLWPXSQLU-REMYHPOOSA-N 2 0 301.434 1.640 50 0 DDAARP C[NH+]1CCC(CCNc2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000222391914 407556068 /nfs/dbraw/zinc/55/60/68/407556068.db2.gz OFEBOGAPQUAAFL-UHFFFAOYSA-N 2 0 304.442 1.407 50 0 DDAARP CN1C[C@@H]([NH3+])C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952986392 721532781 /nfs/dbraw/zinc/53/27/81/721532781.db2.gz LNJGXATZFLKKBB-RDJZCZTQSA-N 2 0 316.449 1.642 50 0 DDAARP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CO)o1)C2 ZINC000685940603 539563946 /nfs/dbraw/zinc/56/39/46/539563946.db2.gz DIOCTZXYNNXHAP-QBPKDAKJSA-N 2 0 308.422 1.341 50 0 DDAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000584896611 354796953 /nfs/dbraw/zinc/79/69/53/354796953.db2.gz ININUZLOZSMWGC-INIZCTEOSA-N 2 0 309.454 1.040 50 0 DDAARP C[C@H](C(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106583012 194233622 /nfs/dbraw/zinc/23/36/22/194233622.db2.gz XMDUQYUZWNVHBN-QLFBSQMISA-N 2 0 323.481 1.475 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nn2)CC1 ZINC000069873378 406783325 /nfs/dbraw/zinc/78/33/25/406783325.db2.gz FEGYXOJGQONRMX-UHFFFAOYSA-N 2 0 315.421 1.061 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCN2CCCC2=O)CC1 ZINC000069951337 406796456 /nfs/dbraw/zinc/79/64/56/406796456.db2.gz LPEGQQDQWUMKRH-HNNXBMFYSA-N 2 0 311.470 1.024 50 0 DDAARP CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cn1 ZINC000067881491 407289451 /nfs/dbraw/zinc/28/94/51/407289451.db2.gz VVHVPVORJCFBOW-UHFFFAOYSA-N 2 0 318.465 1.692 50 0 DDAARP Cc1ccc(CN2CCN(Cc3c[nH]c(C)n3)C[C@H]2CCO)o1 ZINC000104645692 407352222 /nfs/dbraw/zinc/35/22/22/407352222.db2.gz UVFCYJDKUXLEJK-MRXNPFEDSA-N 2 0 318.421 1.688 50 0 DDAARP CC(C)CN1CCCn2ccnc2[C@@H]1C1CC[NH+](CCO)CC1 ZINC000257193838 407486201 /nfs/dbraw/zinc/48/62/01/407486201.db2.gz ZWKURKODKAIQSI-KRWDZBQOSA-N 2 0 320.481 1.990 50 0 DDAARP NC(=O)[C@@H](c1ccccc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261893226 407655909 /nfs/dbraw/zinc/65/59/09/407655909.db2.gz ZXDNINZCDXJOCE-FGTMMUONSA-N 2 0 309.413 1.887 50 0 DDAARP [NH3+][C@H]1C[C@@H](c2cc(N3CC[NH+](CC4CCC4)CC3)ncn2)C1 ZINC000244707841 407930764 /nfs/dbraw/zinc/93/07/64/407930764.db2.gz KIMTYAZEMXWORM-GASCZTMLSA-N 2 0 301.438 1.603 50 0 DDAARP CN(CC[NH+]1CCCCCC1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000252550370 408805104 /nfs/dbraw/zinc/80/51/04/408805104.db2.gz SMGAJFMZYMXKQN-OKILXGFUSA-N 2 0 318.469 1.576 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1 ZINC000058304678 279303107 /nfs/dbraw/zinc/30/31/07/279303107.db2.gz XODOUNXKYWLQRN-QGZVFWFLSA-N 2 0 318.465 1.878 50 0 DDAARP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000262559845 698474931 /nfs/dbraw/zinc/47/49/31/698474931.db2.gz VAXJQNJIXWSXKK-MRXNPFEDSA-N 2 0 311.470 1.465 50 0 DDAARP Cc1cc(NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)nc(N)[nH+]1 ZINC000082097724 192355621 /nfs/dbraw/zinc/35/56/21/192355621.db2.gz TUBBIPQNCAWRIY-UHFFFAOYSA-N 2 0 315.425 1.647 50 0 DDAARP [NH3+][C@@H]1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)C[C@H]1O ZINC000082109187 192358627 /nfs/dbraw/zinc/35/86/27/192358627.db2.gz CFGIUUCLFQHBLH-HZPDHXFCSA-N 2 0 309.479 1.628 50 0 DDAARP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[NH2+]1 ZINC000155150842 197027045 /nfs/dbraw/zinc/02/70/45/197027045.db2.gz KXYPURBUZBSGGE-GFCCVEGCSA-N 2 0 301.390 1.928 50 0 DDAARP O[C@]1(C[NH+]2CCC3(CNc4ccccc43)CC2)CCC[NH2+]C1 ZINC000072425675 285376057 /nfs/dbraw/zinc/37/60/57/285376057.db2.gz DSCXNUTZLAEISV-GOSISDBHSA-N 2 0 301.434 1.560 50 0 DDAARP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000084789322 407094676 /nfs/dbraw/zinc/09/46/76/407094676.db2.gz JUIWNTVVSMECSE-KRWDZBQOSA-N 2 0 322.497 1.101 50 0 DDAARP CC(C)C[NH+]1CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063846654 407236673 /nfs/dbraw/zinc/23/66/73/407236673.db2.gz HMFSLEMWJFSVPF-QZTJIDSGSA-N 2 0 309.498 1.639 50 0 DDAARP C[NH+]1CCC(OCCCNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)CC1 ZINC000244724249 407934974 /nfs/dbraw/zinc/93/49/74/407934974.db2.gz MQNQVTYCWBPZAT-OKILXGFUSA-N 2 0 319.453 1.594 50 0 DDAARP CO[C@@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252485262 408796814 /nfs/dbraw/zinc/79/68/14/408796814.db2.gz GPUJEENSNAWACF-LJQANCHMSA-N 2 0 317.477 1.915 50 0 DDAARP C[C@H](CCN1CC[NH+](C2CC2)CC1)[NH+]1CCN(C2CC2)CC1 ZINC000095428286 278172278 /nfs/dbraw/zinc/17/22/78/278172278.db2.gz UXWNSNUUZMTAKW-MRXNPFEDSA-N 2 0 306.498 1.325 50 0 DDAARP Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000071735809 292980271 /nfs/dbraw/zinc/98/02/71/292980271.db2.gz UUFZIIJDGXNCNA-OAHLLOKOSA-N 2 0 304.438 1.802 50 0 DDAARP C[NH2+]Cc1nnc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1C ZINC000534634532 334308853 /nfs/dbraw/zinc/30/88/53/334308853.db2.gz ZPSNNCPKEIMRIR-QWHCGFSZSA-N 2 0 309.483 1.891 50 0 DDAARP O=C(C1CCC1)N1CCC([NH2+]CCN2CCC(CO)CC2)CC1 ZINC000534672601 334321297 /nfs/dbraw/zinc/32/12/97/334321297.db2.gz KDTQHQWDRFDVTD-UHFFFAOYSA-N 2 0 323.481 1.071 50 0 DDAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC(C)(C)[NH+]2CCCC2)C1 ZINC000670459498 484844039 /nfs/dbraw/zinc/84/40/39/484844039.db2.gz TXFYJILAVVBPEV-OAHLLOKOSA-N 2 0 311.470 1.476 50 0 DDAARP C[NH+](C)CC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000012580695 696050632 /nfs/dbraw/zinc/05/06/32/696050632.db2.gz JXNQZHJHHILAAQ-UHFFFAOYSA-N 2 0 317.477 1.961 50 0 DDAARP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@@H]1CC[N@@H+]1C1CC1 ZINC000888100210 709213768 /nfs/dbraw/zinc/21/37/68/709213768.db2.gz XAKBRFQJLDFSEA-SJORKVTESA-N 2 0 320.481 1.929 50 0 DDAARP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCn3cccn3)C2)CC1 ZINC000952981922 721531486 /nfs/dbraw/zinc/53/14/86/721531486.db2.gz KUSBPKLRJIINBX-KRWDZBQOSA-N 2 0 305.470 1.233 50 0 DDAARP C[C@@](O)(C[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877178 775628042 /nfs/dbraw/zinc/62/80/42/775628042.db2.gz MFDWFMYNXQRVIC-OQIJWPOYSA-N 2 0 318.461 1.573 50 0 DDAARP CCc1ccc(CN(C)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)nc1 ZINC000072162455 191064397 /nfs/dbraw/zinc/06/43/97/191064397.db2.gz KOAIWIOMLINPET-INIZCTEOSA-N 2 0 316.449 1.334 50 0 DDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3scnc3C)CC[C@H]21 ZINC000072481590 191180646 /nfs/dbraw/zinc/18/06/46/191180646.db2.gz MXEISOLPYXEQRP-UONOGXRCSA-N 2 0 322.478 1.484 50 0 DDAARP CC(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000252587664 354384457 /nfs/dbraw/zinc/38/44/57/354384457.db2.gz ZSFRRKZHEZIXGS-KZNAEPCWSA-N 2 0 301.434 1.623 50 0 DDAARP C[C@@H](CCO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000585137151 354812700 /nfs/dbraw/zinc/81/27/00/354812700.db2.gz KOCKZMVUYUVIJN-JTQLQIEISA-N 2 0 316.348 1.930 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237431572 202264543 /nfs/dbraw/zinc/26/45/43/202264543.db2.gz ZJMYXZXKESOAOF-HZPDHXFCSA-N 2 0 322.497 1.003 50 0 DDAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237609527 202302461 /nfs/dbraw/zinc/30/24/61/202302461.db2.gz ZJMYXZXKESOAOF-HOTGVXAUSA-N 2 0 322.497 1.003 50 0 DDAARP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000237718679 202338956 /nfs/dbraw/zinc/33/89/56/202338956.db2.gz SHCBPDDCRIIAIJ-MRXNPFEDSA-N 2 0 316.449 1.067 50 0 DDAARP CCOc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OC(C)C ZINC000040720718 183123637 /nfs/dbraw/zinc/12/36/37/183123637.db2.gz YBPJLMMZBSIRFP-UHFFFAOYSA-N 2 0 310.438 1.934 50 0 DDAARP Cc1[nH+]c(N(C)C)nc(NCCC[N@@H+]2CCC[C@H](O)C2)c1C ZINC000065454135 184347158 /nfs/dbraw/zinc/34/71/58/184347158.db2.gz GALUOTWLWOEZPB-AWEZNQCLSA-N 2 0 307.442 1.418 50 0 DDAARP CC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000012704875 406851213 /nfs/dbraw/zinc/85/12/13/406851213.db2.gz RFQFASOMJAYAEF-HNNXBMFYSA-N 2 0 310.438 1.885 50 0 DDAARP CC[NH+](CC)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000084771217 407094432 /nfs/dbraw/zinc/09/44/32/407094432.db2.gz UZFZDABIUNDMTB-SFHVURJKSA-N 2 0 305.466 1.507 50 0 DDAARP c1ccc(-c2nc3c(c(N[C@H]4CCC[NH2+]C4)n2)CC[NH2+]C3)cc1 ZINC000067676338 407279228 /nfs/dbraw/zinc/27/92/28/407279228.db2.gz GKSIGNWSRFNYSE-AWEZNQCLSA-N 2 0 309.417 1.953 50 0 DDAARP O=C(C[C@@H]1CC[NH2+]C1)N1CCCN(Cc2cccc(F)c2)CC1 ZINC000214980195 407479742 /nfs/dbraw/zinc/47/97/42/407479742.db2.gz HVUVFRGLTJBIPU-HNNXBMFYSA-N 2 0 319.424 1.860 50 0 DDAARP C[N@H+](CCCNc1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1)C1CCCC1 ZINC000244858425 407941239 /nfs/dbraw/zinc/94/12/39/407941239.db2.gz VKXPPBRWBJKFJM-XBXGTLAGSA-N 2 0 319.453 1.974 50 0 DDAARP O=C(C[NH+]1CCCC1)NCC1CC[NH+](Cc2ccoc2)CC1 ZINC000827831973 759383001 /nfs/dbraw/zinc/38/30/01/759383001.db2.gz RJTNQBRNRHGXLK-UHFFFAOYSA-N 2 0 305.422 1.704 50 0 DDAARP CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195554265 354296951 /nfs/dbraw/zinc/29/69/51/354296951.db2.gz ODHVPDSZISEVSY-CVEARBPZSA-N 2 0 310.486 1.132 50 0 DDAARP COCC[N@@H+]1CC[C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000584888850 354791676 /nfs/dbraw/zinc/79/16/76/354791676.db2.gz XTLFKWFVOMIWGH-OAHLLOKOSA-N 2 0 311.470 1.335 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(F)(F)F ZINC000065516604 285242921 /nfs/dbraw/zinc/24/29/21/285242921.db2.gz UMQUFFNVRGCQJA-GFCCVEGCSA-N 2 0 309.376 1.813 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1 ZINC000069444479 285249420 /nfs/dbraw/zinc/24/94/20/285249420.db2.gz XWYWTKJGPQAPHB-MRXNPFEDSA-N 2 0 304.438 1.570 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CC1 ZINC000373858424 257235890 /nfs/dbraw/zinc/23/58/90/257235890.db2.gz GXOVNQGSRAXMHA-MRXNPFEDSA-N 2 0 320.485 1.400 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000069581330 406736354 /nfs/dbraw/zinc/73/63/54/406736354.db2.gz LGQCZFSIVRECHP-CYBMUJFWSA-N 2 0 308.470 1.890 50 0 DDAARP CN(C)C(=O)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000069597902 406743603 /nfs/dbraw/zinc/74/36/03/406743603.db2.gz SRATZCJDDDLCQE-QGZVFWFLSA-N 2 0 319.449 1.110 50 0 DDAARP [NH3+]CCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095511095 407214180 /nfs/dbraw/zinc/21/41/80/407214180.db2.gz UBHIISWHRUNISL-ZWKOTPCHSA-N 2 0 315.461 1.891 50 0 DDAARP Cc1nc2c(c(NCC(C)(C)[NH+]3CCCC3)n1)CC[NH2+]CC2 ZINC000063868495 407236554 /nfs/dbraw/zinc/23/65/54/407236554.db2.gz SBVPNNHSSUYKBT-UHFFFAOYSA-N 2 0 303.454 1.760 50 0 DDAARP CCCC[NH+]1CCC(NC(=O)[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000253420259 407446521 /nfs/dbraw/zinc/44/65/21/407446521.db2.gz GNVGXIKBWNVJTA-INIZCTEOSA-N 2 0 311.470 1.476 50 0 DDAARP c1nc(N2CCCC2)sc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426667367 419528057 /nfs/dbraw/zinc/52/80/57/419528057.db2.gz JZMFMJRTHPSGFD-UHFFFAOYSA-N 2 0 322.478 1.698 50 0 DDAARP CN1CCC[N@H+](CC[C@H](O)c2ccccc2)CC12CC[NH2+]CC2 ZINC000534674655 334322011 /nfs/dbraw/zinc/32/20/11/334322011.db2.gz YNDFXYTWSUXAAC-SFHVURJKSA-N 2 0 317.477 1.870 50 0 DDAARP OC[C@@H]1CCCCN1CC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000952973972 721529989 /nfs/dbraw/zinc/52/99/89/721529989.db2.gz VURSSUZUHZRWGB-KRWDZBQOSA-N 2 0 309.498 1.735 50 0 DDAARP CN1C[C@@H]([NH3+])C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000952984986 721532495 /nfs/dbraw/zinc/53/24/95/721532495.db2.gz DIZRIUSSJQZBNX-RDJZCZTQSA-N 2 0 316.449 1.642 50 0 DDAARP CCCS(=O)(=O)NC[C@@H](C)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000822993577 758260617 /nfs/dbraw/zinc/26/06/17/758260617.db2.gz VTVJUEYSPPSWSZ-CQSZACIVSA-N 2 0 317.499 1.122 50 0 DDAARP c1ccc2c(c1)CC[N@@H+](CCNc1ncnc3c1CC[NH2+]CC3)C2 ZINC000072463684 191174724 /nfs/dbraw/zinc/17/47/24/191174724.db2.gz BMMCMMQJXBMSDL-UHFFFAOYSA-N 2 0 323.444 1.635 50 0 DDAARP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237616741 202305442 /nfs/dbraw/zinc/30/54/42/202305442.db2.gz XDWZOYODWRYESM-HLLBOEOZSA-N 2 0 323.481 1.476 50 0 DDAARP Cc1cc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)nc(N)[nH+]1 ZINC000106992250 407368340 /nfs/dbraw/zinc/36/83/40/407368340.db2.gz VPBFZLPVBCYHBB-HNNXBMFYSA-N 2 0 319.453 1.573 50 0 DDAARP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822778 407947578 /nfs/dbraw/zinc/94/75/78/407947578.db2.gz YSDSBESULOPBAH-JJRVBVJISA-N 2 0 305.422 1.335 50 0 DDAARP C[NH+](C)[C@@H]1CCCN(C/C=C\CN2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000255228311 289296391 /nfs/dbraw/zinc/29/63/91/289296391.db2.gz XDGXKKZKFVJDKW-OSFIAYCASA-N 2 0 308.514 1.595 50 0 DDAARP O=C(C[NH+]1CCCC1)NCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000827831959 759384134 /nfs/dbraw/zinc/38/41/34/759384134.db2.gz OMSPHUWTKJJCNP-QGZVFWFLSA-N 2 0 323.481 1.480 50 0 DDAARP Cc1[nH+]c(N(C)C)nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c1C ZINC000223301339 859938781 /nfs/dbraw/zinc/93/87/81/859938781.db2.gz QIXJYQVDQQERIM-XJFOESAGSA-N 2 0 305.426 1.289 50 0 DDAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095527288 185378337 /nfs/dbraw/zinc/37/83/37/185378337.db2.gz JYXBHHMVONLWAV-INIZCTEOSA-N 2 0 320.433 1.736 50 0 DDAARP O=C(N1CC[NH2+]CC1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000072146962 191052391 /nfs/dbraw/zinc/05/23/91/191052391.db2.gz UEZROMKFHKISHH-UHFFFAOYSA-N 2 0 313.445 1.442 50 0 DDAARP COc1ccc(C2(C[NH2+]C[C@@]3(O)CC[NH2+]C3)CCCC2)cc1 ZINC000072476443 191178541 /nfs/dbraw/zinc/17/85/41/191178541.db2.gz YOLSSWDUWHGTEG-GOSISDBHSA-N 2 0 304.434 1.821 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccncc1 ZINC000058268194 285249266 /nfs/dbraw/zinc/24/92/66/285249266.db2.gz FMQZMUFRAOBHLF-MRXNPFEDSA-N 2 0 304.438 1.570 50 0 DDAARP COc1cccc(C[NH2+]CC2CC[NH+](CCO)CC2)c1OC ZINC000069414711 406705474 /nfs/dbraw/zinc/70/54/74/406705474.db2.gz CMWUWOJSVBVJPX-UHFFFAOYSA-N 2 0 308.422 1.498 50 0 DDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](CCC(F)(F)F)CC[C@H]21 ZINC000072407932 406882183 /nfs/dbraw/zinc/88/21/83/406882183.db2.gz KIOBWUCONJLNGU-NWDGAFQWSA-N 2 0 307.360 1.471 50 0 DDAARP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)CC1 ZINC000225490423 407590503 /nfs/dbraw/zinc/59/05/03/407590503.db2.gz RHVNWCSICHHRBL-KRWDZBQOSA-N 2 0 324.513 1.378 50 0 DDAARP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822780 407948522 /nfs/dbraw/zinc/94/85/22/407948522.db2.gz YSDSBESULOPBAH-VBQJREDUSA-N 2 0 305.422 1.335 50 0 DDAARP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000247024965 303379848 /nfs/dbraw/zinc/37/98/48/303379848.db2.gz RPEYLIGAEINUBE-BPUTZDHNSA-N 2 0 309.454 1.264 50 0 DDAARP O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000534577655 334288384 /nfs/dbraw/zinc/28/83/84/334288384.db2.gz RGKGDXKYQVRXKV-ZDUSSCGKSA-N 2 0 311.495 1.462 50 0 DDAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)NCC2(C[NH+]3CCCC3)CC2)C1 ZINC000534650043 334311705 /nfs/dbraw/zinc/31/17/05/334311705.db2.gz GNTMHBZJSMTOTK-MRXNPFEDSA-N 2 0 323.481 1.478 50 0 DDAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000022241634 535528960 /nfs/dbraw/zinc/52/89/60/535528960.db2.gz ONKWOGILDKLZCX-UHFFFAOYSA-N 2 0 318.465 1.752 50 0 DDAARP Cc1cc(N2CCC([NH2+]C3CC(CC[NH3+])C3)CC2)nc(C)n1 ZINC000888097063 709212600 /nfs/dbraw/zinc/21/26/00/709212600.db2.gz YUTGVLLIBMGERW-UHFFFAOYSA-N 2 0 303.454 1.779 50 0 DDAARP Nc1nc(NCCCC[NH+]2CCCC2)cc(C2CC(O)C2)[nH+]1 ZINC000223586541 749457737 /nfs/dbraw/zinc/45/77/37/749457737.db2.gz YEUKABHCQJPQAY-UHFFFAOYSA-N 2 0 305.426 1.585 50 0 DDAARP C[N@@H+]1CCCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]C3)CC1 ZINC000071749526 191021992 /nfs/dbraw/zinc/02/19/92/191021992.db2.gz AQCDDKYNGUFSBB-UHFFFAOYSA-N 2 0 324.432 1.326 50 0 DDAARP Cc1ncc2c(c1CNC(=O)C[C@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000072447666 191169069 /nfs/dbraw/zinc/16/90/69/191169069.db2.gz OIWWFFNNIFNGGT-OAHLLOKOSA-N 2 0 316.449 1.526 50 0 DDAARP Cc1ccc(C[N@@H+]2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)o1 ZINC000091574984 193074231 /nfs/dbraw/zinc/07/42/31/193074231.db2.gz LGWDSKJFLYUTDB-GOSISDBHSA-N 2 0 322.449 1.883 50 0 DDAARP CCn1nc(C)c(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000069347486 406697480 /nfs/dbraw/zinc/69/74/80/406697480.db2.gz MEZINHKJASRFGQ-CYBMUJFWSA-N 2 0 308.470 1.702 50 0 DDAARP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069349940 406700024 /nfs/dbraw/zinc/70/00/24/406700024.db2.gz YBJVKTNPDXLAJM-LLVKDONJSA-N 2 0 314.861 1.564 50 0 DDAARP O[C@@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CCC[NH2+]C1 ZINC000077537519 406995999 /nfs/dbraw/zinc/99/59/99/406995999.db2.gz ZPQSEOKFTMNTDP-KRWDZBQOSA-N 2 0 305.422 1.177 50 0 DDAARP O[C@@]1(C[NH2+]CCCOc2cccnc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063869894 407236087 /nfs/dbraw/zinc/23/60/87/407236087.db2.gz OIBUYDHVUMUWMA-QZTJIDSGSA-N 2 0 319.449 1.820 50 0 DDAARP CC(C)[NH+]1CCC(c2nnc(CN3CC[NH+](C)CC3)n2C)CC1 ZINC000096152283 407241502 /nfs/dbraw/zinc/24/15/02/407241502.db2.gz BAYWJMXSFKBSLG-UHFFFAOYSA-N 2 0 320.485 1.150 50 0 DDAARP C[C@H](O)C[NH+](C[C@H](C)O)C1CCN(CCc2ccccc2)CC1 ZINC000821209096 758145644 /nfs/dbraw/zinc/14/56/44/758145644.db2.gz OUGPJUCCLCSTCP-IRXDYDNUSA-N 2 0 320.477 1.757 50 0 DDAARP CCO[C@H]1[C@H](NC(=O)CC[NH3+])c2ccccc2C12CC[NH2+]CC2 ZINC000072161402 286551506 /nfs/dbraw/zinc/55/15/06/286551506.db2.gz RUZGHNWVRQMFFZ-SJORKVTESA-N 2 0 317.433 1.233 50 0 DDAARP C[NH+](C)CCNC(=O)CCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000012575399 406848152 /nfs/dbraw/zinc/84/81/52/406848152.db2.gz VBKGRVSVVHHROK-HNNXBMFYSA-N 2 0 313.511 1.662 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nc(-c3ccoc3)no2)CC1 ZINC000071871159 406856200 /nfs/dbraw/zinc/85/62/00/406856200.db2.gz ZFETVGLUPJRWGH-GFCCVEGCSA-N 2 0 320.393 1.512 50 0 DDAARP C[NH+]1CCC(C[NH2+]C[C@]2(O)CCC[NH2+]C2)(c2ccccc2)CC1 ZINC000072430399 406883262 /nfs/dbraw/zinc/88/32/62/406883262.db2.gz XEYQCMUZUMKXFV-IBGZPJMESA-N 3 0 317.477 1.354 50 0 DDAARP CN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@@H]1CC[N@H+](C)C1 ZINC000065508637 407244192 /nfs/dbraw/zinc/24/41/92/407244192.db2.gz CMWNXXGKLIKNHS-SNVBAGLBSA-N 2 0 303.435 1.477 50 0 DDAARP C[N@H+](CCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CCCC1 ZINC000106905441 407365668 /nfs/dbraw/zinc/36/56/68/407365668.db2.gz PFNLCJYZYJYSNF-HOTGVXAUSA-N 2 0 324.469 1.023 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC000192754181 408640229 /nfs/dbraw/zinc/64/02/29/408640229.db2.gz KCTMBDGGYQRLOO-AWEZNQCLSA-N 2 0 323.403 1.402 50 0 DDAARP C[NH+](C)C1CCN(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194068813 418538605 /nfs/dbraw/zinc/53/86/05/418538605.db2.gz NMBWEJVLDKKSLV-IXDOHACOSA-N 2 0 307.482 1.560 50 0 DDAARP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000375300980 307220991 /nfs/dbraw/zinc/22/09/91/307220991.db2.gz DKTLVHYOULQGCU-GOSISDBHSA-N 2 0 323.481 1.478 50 0 DDAARP CSCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000670453401 484840438 /nfs/dbraw/zinc/84/04/38/484840438.db2.gz RKISROOQIXNYIJ-AWEZNQCLSA-N 2 0 313.511 1.982 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000952985935 721532428 /nfs/dbraw/zinc/53/24/28/721532428.db2.gz BYMJJBCDLRNGDY-QGZVFWFLSA-N 2 0 307.482 1.417 50 0 DDAARP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000237477325 186295254 /nfs/dbraw/zinc/29/52/54/186295254.db2.gz HLIFBWOZVIGDIG-LSDHHAIUSA-N 2 0 319.449 1.826 50 0 DDAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000584904128 354802442 /nfs/dbraw/zinc/80/24/42/354802442.db2.gz WJCRZNNEOJYGFK-HNNXBMFYSA-N 2 0 301.434 1.980 50 0 DDAARP c1cc(OCC2CC[NH2+]CC2)nc(OCC2CC[NH2+]CC2)n1 ZINC000601012341 358381709 /nfs/dbraw/zinc/38/17/09/358381709.db2.gz AMKXVZNQZYEDHF-UHFFFAOYSA-N 2 0 306.410 1.233 50 0 DDAARP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1-n1cncn1 ZINC000042229069 183244771 /nfs/dbraw/zinc/24/47/71/183244771.db2.gz FVQAURRZDFDWTP-AWEZNQCLSA-N 2 0 315.396 1.980 50 0 DDAARP Cc1cccc(C[NH+]2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)c1 ZINC000048366652 407096115 /nfs/dbraw/zinc/09/61/15/407096115.db2.gz KQQBGDHEGMRUGS-IBGZPJMESA-N 2 0 317.477 1.569 50 0 DDAARP C[C@H]1C[C@H](Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000097034042 407275916 /nfs/dbraw/zinc/27/59/16/407275916.db2.gz BOCJQDLNPGIMHA-WFASDCNBSA-N 2 0 316.449 1.884 50 0 DDAARP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000097228886 407288835 /nfs/dbraw/zinc/28/88/35/407288835.db2.gz OUNKLPQQGQYHMW-MRXNPFEDSA-N 2 0 316.449 1.390 50 0 DDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000132444041 196255741 /nfs/dbraw/zinc/25/57/41/196255741.db2.gz VBKPQKUICPTYCA-OAHLLOKOSA-N 2 0 302.422 1.002 50 0 DDAARP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000408517938 289185541 /nfs/dbraw/zinc/18/55/41/289185541.db2.gz PUEDJCWJNVLTPB-UHFFFAOYSA-N 2 0 303.450 1.957 50 0 DDAARP CCC[NH+]1CCC(N2C[C@H]([NH3+])C[C@H]2C(=O)N(CC)CC)CC1 ZINC000299784171 528196518 /nfs/dbraw/zinc/19/65/18/528196518.db2.gz SOIZJCAFULGTBR-ZBFHGGJFSA-N 2 0 310.486 1.131 50 0 DDAARP COCC[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012703256 696051669 /nfs/dbraw/zinc/05/16/69/696051669.db2.gz YNURPUSSBGYQCA-QGZVFWFLSA-N 2 0 322.449 1.648 50 0 DDAARP C[NH+](C)Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)cc1 ZINC000219347163 539264695 /nfs/dbraw/zinc/26/46/95/539264695.db2.gz UBZAZFGQGYJCGX-YYIAUSFCSA-N 2 0 317.433 1.196 50 0 DDAARP Cc1c(C)n(CC[NH+](C)C)c2ncn(CC[NH+](C)C)c(=N)c12 ZINC000006670454 181368867 /nfs/dbraw/zinc/36/88/67/181368867.db2.gz DWRQJXCGUVPQNF-UHFFFAOYSA-N 2 0 304.442 1.057 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000069351336 406700413 /nfs/dbraw/zinc/70/04/13/406700413.db2.gz OHIDYLPFSOFQHL-ZDUSSCGKSA-N 2 0 306.406 1.598 50 0 DDAARP COc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000069770278 406768536 /nfs/dbraw/zinc/76/85/36/406768536.db2.gz FHKJATWJNHTLIV-UHFFFAOYSA-N 2 0 322.453 1.436 50 0 DDAARP O[C@@]1(C[NH2+]CC2(c3cccc(F)c3)CCOCC2)CC[NH2+]C1 ZINC000077300298 406983690 /nfs/dbraw/zinc/98/36/90/406983690.db2.gz QLHJLAAJEONKAW-KRWDZBQOSA-N 2 0 308.397 1.188 50 0 DDAARP c1ccc(OCCN2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102851092 407327694 /nfs/dbraw/zinc/32/76/94/407327694.db2.gz AMQBZGYXAYQBOW-PIIMJCKOSA-N 2 0 301.434 1.148 50 0 DDAARP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000191340905 408410669 /nfs/dbraw/zinc/41/06/69/408410669.db2.gz LWMJWCFBWQATAY-IAGOWNOFSA-N 2 0 301.434 1.991 50 0 DDAARP C[NH+](C)CC(C)(C)Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072473517 191175169 /nfs/dbraw/zinc/17/51/69/191175169.db2.gz YTFCPJVOBJNGCP-UHFFFAOYSA-N 2 0 316.453 1.828 50 0 DDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@H](O)COCc1ccccc1F ZINC000003418422 181016904 /nfs/dbraw/zinc/01/69/04/181016904.db2.gz ZHRBKEKUFIDKDP-HNNXBMFYSA-N 2 0 312.429 1.881 50 0 DDAARP CN1CCC([NH+]2CCC(C[NH2+]Cc3ccncc3)CC2)CC1 ZINC000019735499 182139891 /nfs/dbraw/zinc/13/98/91/182139891.db2.gz XPYZZLHFNVDYGE-UHFFFAOYSA-N 2 0 302.466 1.977 50 0 DDAARP [NH3+]C1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)CC1 ZINC000072146023 406874034 /nfs/dbraw/zinc/87/40/34/406874034.db2.gz KQGONIAGMMVRLP-UHFFFAOYSA-N 2 0 310.405 1.112 50 0 DDAARP NC(=O)C1CC[NH+](CCCC[NH2+]Cc2cccc(F)c2)CC1 ZINC000030911346 406935278 /nfs/dbraw/zinc/93/52/78/406935278.db2.gz RZWUAGWPPHQHAV-UHFFFAOYSA-N 2 0 307.413 1.893 50 0 DDAARP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)cc[nH+]1 ZINC000091876985 407184216 /nfs/dbraw/zinc/18/42/16/407184216.db2.gz BLPHOCQRWVTHSS-AEFFLSMTSA-N 2 0 319.449 1.690 50 0 DDAARP C[C@@H](Cn1ccnc1)[NH2+]CC1(N2CC[NH+](C)CC2)CCCC1 ZINC000534640035 334310785 /nfs/dbraw/zinc/31/07/85/334310785.db2.gz SCUWDHZPKNJVJZ-INIZCTEOSA-N 3 0 305.470 1.421 50 0 DDAARP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1C=CC[NH2+]1 ZINC000534665506 334318531 /nfs/dbraw/zinc/31/85/31/334318531.db2.gz XOXLWBOYIXKDQX-INIZCTEOSA-N 2 0 319.836 1.949 50 0 DDAARP O=c1[nH]cnc2c1CC[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)CC2 ZINC000072157166 696393252 /nfs/dbraw/zinc/39/32/52/696393252.db2.gz BJEMBQLRZSJMTJ-WMLDXEAASA-N 2 0 316.449 1.435 50 0 DDAARP CCS(=O)(=O)NC[C@H](C)[NH2+]Cc1ccccc1-n1ccnc1 ZINC000952970279 721529559 /nfs/dbraw/zinc/52/95/59/721529559.db2.gz HWIZJYPARDMRJY-ZDUSSCGKSA-N 2 0 322.434 1.290 50 0 DDAARP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827831820 759383874 /nfs/dbraw/zinc/38/38/74/759383874.db2.gz KSITVQUXMYTDND-OAHLLOKOSA-N 2 0 305.422 1.704 50 0 DDAARP C[C@H](O)[C@H](O)C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000585116646 771949710 /nfs/dbraw/zinc/94/97/10/771949710.db2.gz DHYNKJNLSLQHGZ-MXSMSXNCSA-N 2 0 306.450 1.713 50 0 DDAARP C[NH+](C)Cc1ccccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095523390 185377845 /nfs/dbraw/zinc/37/78/45/185377845.db2.gz IGMHHWXMSVPWQK-OAHLLOKOSA-N 2 0 310.463 1.537 50 0 DDAARP c1ccc(C[N@@H+]2CC[C@@H](Nc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072424923 191160442 /nfs/dbraw/zinc/16/04/42/191160442.db2.gz RXVODOSSSACWSG-MRXNPFEDSA-N 2 0 323.444 1.851 50 0 DDAARP O=C(C[NH+]1CCCCCC1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000584890005 354792711 /nfs/dbraw/zinc/79/27/11/354792711.db2.gz XYVIPMZHNUDTAW-UHFFFAOYSA-N 2 0 323.481 1.312 50 0 DDAARP C[C@@H]1CCC[C@H]([NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)C1 ZINC000019359212 182118119 /nfs/dbraw/zinc/11/81/19/182118119.db2.gz MYJDDEWXFJRWBN-AEFFLSMTSA-N 2 0 309.498 1.639 50 0 DDAARP CC1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)COC1 ZINC000352751338 285275632 /nfs/dbraw/zinc/27/56/32/285275632.db2.gz UFMHVHDSNKXMJV-UHFFFAOYSA-N 2 0 304.434 1.769 50 0 DDAARP C[NH+]1CCC(N2CC[N@H+](Cc3cccs3)C[C@@H]2CCO)CC1 ZINC000067785532 407284423 /nfs/dbraw/zinc/28/44/23/407284423.db2.gz QNVMLMCFIFWHSH-INIZCTEOSA-N 2 0 323.506 1.711 50 0 DDAARP Cc1nn(CCO)cc1C[N@@H+](C)Cc1ccccc1C[NH+](C)C ZINC000215461673 407484244 /nfs/dbraw/zinc/48/42/44/407484244.db2.gz UNZGUDGLEOHFIF-UHFFFAOYSA-N 2 0 316.449 1.877 50 0 DDAARP C[C@@H](c1cnccn1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000253432289 407451925 /nfs/dbraw/zinc/45/19/25/407451925.db2.gz YGYLBIDNWMMBTQ-INIZCTEOSA-N 2 0 317.481 1.887 50 0 DDAARP c1cc2c(cc1C[NH+]1CCC3(CC1)C[NH2+]CCO3)OCCO2 ZINC000426490490 419484862 /nfs/dbraw/zinc/48/48/62/419484862.db2.gz YOEDXHJNFJSELK-UHFFFAOYSA-N 2 0 304.390 1.412 50 0 DDAARP C[C@@H]1CN(C(=O)c2ccc(Cl)cc2OCCC[NH3+])CC[NH2+]1 ZINC000426445618 419472918 /nfs/dbraw/zinc/47/29/18/419472918.db2.gz NWTDRSMJVIWZMB-LLVKDONJSA-N 2 0 311.813 1.502 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1OCC[NH+](C)C ZINC000215772835 295297066 /nfs/dbraw/zinc/29/70/66/295297066.db2.gz SPXWQGJXFYLOKO-HNNXBMFYSA-N 2 0 322.449 1.840 50 0 DDAARP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000169790006 697346366 /nfs/dbraw/zinc/34/63/66/697346366.db2.gz WVEWBIUHPHWHKJ-HNNXBMFYSA-N 2 0 306.454 1.519 50 0 DDAARP OC[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2nonc21 ZINC000952991541 721533485 /nfs/dbraw/zinc/53/34/85/721533485.db2.gz ZSKKBSCDLPVURX-AWEZNQCLSA-N 2 0 304.394 1.549 50 0 DDAARP c1cn(C[C@H]2CCCN(Cc3cc4n(n3)CC[NH2+]C4)C2)cn1 ZINC000072172528 191070159 /nfs/dbraw/zinc/07/01/59/191070159.db2.gz GWAMRIZJUQBSGE-AWEZNQCLSA-N 3 0 300.410 1.095 50 0 DDAARP C[C@@H]([NH3+])C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000237441885 186289408 /nfs/dbraw/zinc/28/94/08/186289408.db2.gz XLQUFWXWDGZVQP-RBSFLKMASA-N 2 0 303.450 1.949 50 0 DDAARP CCc1nccn1C[C@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584901777 354800604 /nfs/dbraw/zinc/80/06/04/354800604.db2.gz NCIVJDYLVPQCQB-HNNXBMFYSA-N 2 0 307.486 1.450 50 0 DDAARP CC[NH+](CC)C[C@H](O)CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000058078769 184073510 /nfs/dbraw/zinc/07/35/10/184073510.db2.gz KREUHZLWRFCVJP-LJQANCHMSA-N 2 0 319.493 1.943 50 0 DDAARP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000012302809 406841086 /nfs/dbraw/zinc/84/10/86/406841086.db2.gz GLKNVPGJIKUCKK-HNNXBMFYSA-N 2 0 305.466 1.851 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000229453560 407661042 /nfs/dbraw/zinc/66/10/42/407661042.db2.gz REARDKSSSHKOOP-RDTXWAMCSA-N 2 0 324.440 1.884 50 0 DDAARP COc1ccc(OCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000244872903 407942703 /nfs/dbraw/zinc/94/27/03/407942703.db2.gz WGQAEDZBNOGZLH-MRXNPFEDSA-N 2 0 319.449 1.444 50 0 DDAARP [NH3+][C@H]1C[C@@H](c2cc(N3CCN(c4cc[nH+]cc4)CC3)ncn2)C1 ZINC000252537301 408804790 /nfs/dbraw/zinc/80/47/90/408804790.db2.gz KXQXQVAWFJKWLS-OKILXGFUSA-N 2 0 310.405 1.403 50 0 DDAARP C[C@H]1CC[N@H+](CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000408517194 418806733 /nfs/dbraw/zinc/80/67/33/418806733.db2.gz CBRDNZPRMVHBQL-HNNXBMFYSA-N 2 0 311.470 1.288 50 0 DDAARP Cn1c(SC[C@@H]2CCC[C@H]([NH3+])C2)nnc1C1CC[NH2+]CC1 ZINC000426597416 294171613 /nfs/dbraw/zinc/17/16/13/294171613.db2.gz NYYYBHRUYGGOAD-YPMHNXCESA-N 2 0 309.483 1.892 50 0 DDAARP COc1cc(C[NH+]2CCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095527287 185378468 /nfs/dbraw/zinc/37/84/68/185378468.db2.gz JYXBHHMVONLWAV-MRXNPFEDSA-N 2 0 320.433 1.736 50 0 DDAARP [NH3+]CCC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082136891 192360708 /nfs/dbraw/zinc/36/07/08/192360708.db2.gz LUIIFFGAUDFDJU-UHFFFAOYSA-N 2 0 319.453 1.387 50 0 DDAARP COC(=O)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cc1 ZINC000072143923 191050605 /nfs/dbraw/zinc/05/06/05/191050605.db2.gz LIUKVYCWFGHMQI-GOSISDBHSA-N 2 0 320.433 1.752 50 0 DDAARP Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)nc(N)[nH+]1 ZINC000043532748 183370426 /nfs/dbraw/zinc/37/04/26/183370426.db2.gz BYOGGLFPGKEMFL-UHFFFAOYSA-N 2 0 305.426 1.814 50 0 DDAARP CCn1c(C[NH2+]CC2CC[NH+](CCO)CC2)nc2ccccc21 ZINC000069385866 406706649 /nfs/dbraw/zinc/70/66/49/406706649.db2.gz QCUONXNWODRELO-UHFFFAOYSA-N 2 0 316.449 1.850 50 0 DDAARP CC[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)C(C)C ZINC000096421532 407263111 /nfs/dbraw/zinc/26/31/11/407263111.db2.gz AQUFANKSBAHJOU-GVDBMIGSSA-N 2 0 322.497 1.842 50 0 DDAARP C[N@H+](CC1(CO)CCCC1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063884410 407236544 /nfs/dbraw/zinc/23/65/44/407236544.db2.gz FJAIUVFBEMKQOR-SJLPKXTDSA-N 2 0 310.482 1.850 50 0 DDAARP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000125290207 407384461 /nfs/dbraw/zinc/38/44/61/407384461.db2.gz CTTZLWTUTSQGIK-GDBMZVCRSA-N 2 0 319.424 1.858 50 0 DDAARP c1ccc(OCC[NH+]2CCCCC2)c(CN2CC[NH2+]CC2)c1 ZINC000219254190 407527716 /nfs/dbraw/zinc/52/77/16/407527716.db2.gz BTTRUESVLVHTKL-UHFFFAOYSA-N 2 0 303.450 1.957 50 0 DDAARP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000887268408 709002644 /nfs/dbraw/zinc/00/26/44/709002644.db2.gz KPDYSKVJIYSOJI-XDNAFOTISA-N 2 0 313.445 1.717 50 0 DDAARP [NH3+]C[C@H]1CCN(c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)C1 ZINC000072458895 191172565 /nfs/dbraw/zinc/17/25/65/191172565.db2.gz KICGZJQOXWTMJO-CYBMUJFWSA-N 2 0 315.465 1.607 50 0 DDAARP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH2+]CCCO ZINC000043741259 352373516 /nfs/dbraw/zinc/37/35/16/352373516.db2.gz YVHMDUOTURLDTR-NVXWUHKLSA-N 2 0 317.433 1.101 50 0 DDAARP CCn1c(C2CC[NH2+]CC2)nn(C[C@@H]2CCCC[N@@H+]2C)c1=O ZINC000065420250 184341636 /nfs/dbraw/zinc/34/16/36/184341636.db2.gz URTMHOBZUPUMHU-AWEZNQCLSA-N 2 0 307.442 1.016 50 0 DDAARP C[C@H](CCC(=O)Nc1cnc2n1CCCC2)[NH+]1CCN(C)CC1 ZINC000067872775 407288022 /nfs/dbraw/zinc/28/80/22/407288022.db2.gz PCJRTBALFJMNNY-CQSZACIVSA-N 2 0 319.453 1.574 50 0 DDAARP Nc1nc(NCc2ccc3c(c2)CCO3)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000243957120 407924152 /nfs/dbraw/zinc/92/41/52/407924152.db2.gz CGAXWPGUELWLQA-BETUJISGSA-N 2 0 311.389 1.811 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000246702015 408319845 /nfs/dbraw/zinc/31/98/45/408319845.db2.gz WJEGRDZGIGAOIA-DJIMGWMZSA-N 2 0 316.449 1.550 50 0 DDAARP OC[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc2nonc21 ZINC000952991543 721533651 /nfs/dbraw/zinc/53/36/51/721533651.db2.gz ZSKKBSCDLPVURX-CQSZACIVSA-N 2 0 304.394 1.549 50 0 DDAARP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000827831819 759383697 /nfs/dbraw/zinc/38/36/97/759383697.db2.gz KSITVQUXMYTDND-HNNXBMFYSA-N 2 0 305.422 1.704 50 0 DDAARP CCc1csc(CNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)n1 ZINC000072418833 191157198 /nfs/dbraw/zinc/15/71/98/191157198.db2.gz KEYUOJNNXCEWMK-ZDUSSCGKSA-N 2 0 322.478 1.396 50 0 DDAARP CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000584889674 354792685 /nfs/dbraw/zinc/79/26/85/354792685.db2.gz UVPANOUVCZTXBW-OAHLLOKOSA-N 2 0 311.470 1.166 50 0 DDAARP C[C@@H]1C[C@@H](NCc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140766 354813831 /nfs/dbraw/zinc/81/38/31/354813831.db2.gz JJPDEBISQMYMRD-OLZOCXBDSA-N 2 0 322.453 1.948 50 0 DDAARP COc1cc(CN[C@@H]2CC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000065394384 184334865 /nfs/dbraw/zinc/33/48/65/184334865.db2.gz YYTYLEHFNYVXEX-MRXNPFEDSA-N 2 0 319.449 1.621 50 0 DDAARP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000262559844 285015341 /nfs/dbraw/zinc/01/53/41/285015341.db2.gz VAXJQNJIXWSXKK-INIZCTEOSA-N 2 0 311.470 1.465 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccnc2)CC1 ZINC000069808354 406774134 /nfs/dbraw/zinc/77/41/34/406774134.db2.gz VAJCDQUVMBNBFS-CQSZACIVSA-N 2 0 320.437 1.045 50 0 DDAARP C[C@H](c1cccnc1)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000269300614 408261023 /nfs/dbraw/zinc/26/10/23/408261023.db2.gz QIKMHGHUFYVMPC-VYDXJSESSA-N 2 0 316.449 1.804 50 0 DDAARP COCC1(C[NH2+]Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C2CC2)CC1 ZINC000252571499 408805322 /nfs/dbraw/zinc/80/53/22/408805322.db2.gz YBQFXYHFKSZKCV-HAQNSBGRSA-N 2 0 305.426 1.334 50 0 DDAARP C[NH+](C)CC(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000063834671 276776018 /nfs/dbraw/zinc/77/60/18/276776018.db2.gz RPUJJCACYDFZGI-UHFFFAOYSA-N 2 0 303.450 1.714 50 0 DDAARP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000097238767 337382591 /nfs/dbraw/zinc/38/25/91/337382591.db2.gz GJICIQSRBCCDHO-GOEBONIOSA-N 2 0 311.470 1.190 50 0 DDAARP COCC(=O)N1CCC[N@H+](CC2CC[NH+](C(C)C)CC2)CC1 ZINC000067908116 696365206 /nfs/dbraw/zinc/36/52/06/696365206.db2.gz WVSHCFCUDUJGJA-UHFFFAOYSA-N 2 0 311.470 1.288 50 0 DDAARP CCn1cc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3COC)CC2)cn1 ZINC000169789860 697346372 /nfs/dbraw/zinc/34/63/72/697346372.db2.gz QKXUPRSLKZGAEI-MRXNPFEDSA-N 2 0 306.454 1.693 50 0 DDAARP CCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000581801306 736203348 /nfs/dbraw/zinc/20/33/48/736203348.db2.gz GCNFOONYFQUTBP-IAGOWNOFSA-N 2 0 318.465 1.758 50 0 DDAARP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H](O)COCc1ccccc1F ZINC000003418424 181016870 /nfs/dbraw/zinc/01/68/70/181016870.db2.gz ZHRBKEKUFIDKDP-OAHLLOKOSA-N 2 0 312.429 1.881 50 0 DDAARP COc1cc(CN[C@H]2CC[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000065394385 184334730 /nfs/dbraw/zinc/33/47/30/184334730.db2.gz YYTYLEHFNYVXEX-INIZCTEOSA-N 2 0 319.449 1.621 50 0 DDAARP O=C1N(C[C@@H]2CC[NH2+]C2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082099171 296352671 /nfs/dbraw/zinc/35/26/71/296352671.db2.gz WSTHPWMKRVSXKO-CYBMUJFWSA-N 2 0 300.406 1.177 50 0 DDAARP C[NH+](C)[C@H]1CCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072159100 406874541 /nfs/dbraw/zinc/87/45/41/406874541.db2.gz GNJMPCFZIRUWDZ-ZDUSSCGKSA-N 2 0 310.405 1.282 50 0 DDAARP Cn1nnnc1SCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067675593 407279355 /nfs/dbraw/zinc/27/93/55/407279355.db2.gz KUPLKDYZMZJBPB-UHFFFAOYSA-N 2 0 310.471 1.204 50 0 DDAARP CCC[NH+]1CCC(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)CC1 ZINC000067769540 407283658 /nfs/dbraw/zinc/28/36/58/407283658.db2.gz ZERRHWADCYVPDU-CQSZACIVSA-N 2 0 308.426 1.265 50 0 DDAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237609560 407832706 /nfs/dbraw/zinc/83/27/06/407832706.db2.gz JMAMDVXENUFRLI-HOTGVXAUSA-N 2 0 322.497 1.275 50 0 DDAARP C[C@@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000168598709 408818734 /nfs/dbraw/zinc/81/87/34/408818734.db2.gz YNEBDVSQJJKCHW-MFKMUULPSA-N 2 0 313.804 1.907 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000069582481 279564389 /nfs/dbraw/zinc/56/43/89/279564389.db2.gz SEMDCYDFICSGLZ-SUMWQHHRSA-N 2 0 310.413 1.542 50 0 DDAARP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000097238766 337382617 /nfs/dbraw/zinc/38/26/17/337382617.db2.gz GJICIQSRBCCDHO-HOCLYGCPSA-N 2 0 311.470 1.190 50 0 DDAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccon1)CC[NH+](C)CC2 ZINC000072419020 696393747 /nfs/dbraw/zinc/39/37/47/696393747.db2.gz KJVQUJRVAFSJBP-OAHLLOKOSA-N 2 0 320.437 1.487 50 0 DDAARP O[C@]1(C[NH+]2CCN(CCc3ccccc3)CC2)CCC[NH2+]CC1 ZINC000952992155 721533620 /nfs/dbraw/zinc/53/36/20/721533620.db2.gz AXVKEDGUTRNMEW-LJQANCHMSA-N 2 0 317.477 1.351 50 0 DDAARP CC[C@@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)[N@H+](C)CC ZINC000822544821 758222056 /nfs/dbraw/zinc/22/20/56/758222056.db2.gz FKXDNYVWCABIOW-INIZCTEOSA-N 2 0 311.470 1.164 50 0 DDAARP O=C(C[NH+]1CCCC1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000827939760 759425463 /nfs/dbraw/zinc/42/54/63/759425463.db2.gz BQFFHZQPCTWMMX-INIZCTEOSA-N 2 0 309.454 1.186 50 0 DDAARP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@](=O)c1ccccc1 ZINC000095446772 185367648 /nfs/dbraw/zinc/36/76/48/185367648.db2.gz MIBRRFBQMMSYRQ-JOCHJYFZSA-N 2 0 323.506 1.364 50 0 DDAARP CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)o1 ZINC000091412180 193052661 /nfs/dbraw/zinc/05/26/61/193052661.db2.gz MTJMXEOWBIXESN-HZPDHXFCSA-N 2 0 321.465 1.130 50 0 DDAARP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2cc[nH]n2)CC1)c1ccccc1 ZINC000069490780 285301038 /nfs/dbraw/zinc/30/10/38/285301038.db2.gz KTOZFVQMWXGKRB-SFHVURJKSA-N 2 0 314.433 1.945 50 0 DDAARP CC(C)[N@H+](C)CC(=O)NCc1ccccc1N1CC[NH+](C)CC1 ZINC000069895092 406789369 /nfs/dbraw/zinc/78/93/69/406789369.db2.gz JYTZEFBVXVXGBD-UHFFFAOYSA-N 2 0 318.465 1.395 50 0 DDAARP O[C@@]1(C[NH2+]CCSCc2cccc(Cl)c2)CC[NH2+]C1 ZINC000077437466 406991164 /nfs/dbraw/zinc/99/11/64/406991164.db2.gz NOUBQCJOVYJBQX-AWEZNQCLSA-N 2 0 300.855 1.887 50 0 DDAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1 ZINC000095355009 407207838 /nfs/dbraw/zinc/20/78/38/407207838.db2.gz XKVKTBCOPNVHFD-CQSZACIVSA-N 2 0 305.426 1.252 50 0 DDAARP C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000133328357 407829816 /nfs/dbraw/zinc/82/98/16/407829816.db2.gz UBECRBYKPUVOSE-CQSZACIVSA-N 2 0 305.422 1.451 50 0 DDAARP CN1CCC[N@H+](C[C@H](O)c2ccccc2)CC12CC[NH2+]CC2 ZINC000534576242 334287955 /nfs/dbraw/zinc/28/79/55/334287955.db2.gz VGVJKDNMGFNHNH-KRWDZBQOSA-N 2 0 303.450 1.480 50 0 DDAARP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670435502 484827272 /nfs/dbraw/zinc/82/72/72/484827272.db2.gz DSDNGWBXSXKJJL-KRWDZBQOSA-N 2 0 303.450 1.654 50 0 DDAARP COCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000079338377 185165537 /nfs/dbraw/zinc/16/55/37/185165537.db2.gz VXHFQBYMIHBYGQ-UHFFFAOYSA-N 2 0 319.449 1.589 50 0 DDAARP Cc1ccccc1OC1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC000082166571 185174447 /nfs/dbraw/zinc/17/44/47/185174447.db2.gz FKGPSOMBJVRKPH-INIZCTEOSA-N 2 0 319.449 1.821 50 0 DDAARP COC1(c2ccccc2)CC[NH+](C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC000072422856 191158908 /nfs/dbraw/zinc/15/89/08/191158908.db2.gz IUPHRYVUMVILRE-QGZVFWFLSA-N 2 0 304.434 1.739 50 0 DDAARP Cc1ccc2[nH]c(CCC[NH2+]C[C@]3(O)CCC[NH2+]C3)nc2c1C ZINC000072478048 191179963 /nfs/dbraw/zinc/17/99/63/191179963.db2.gz JQOPLHYGRKBDNY-GOSISDBHSA-N 2 0 316.449 1.816 50 0 DDAARP C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006608282 181360734 /nfs/dbraw/zinc/36/07/34/181360734.db2.gz LLVSTUWZMZZFLT-UHFFFAOYSA-N 2 0 320.506 1.677 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000069329847 184507514 /nfs/dbraw/zinc/50/75/14/184507514.db2.gz QSWGHYSHEZIOHY-AWEZNQCLSA-N 2 0 308.470 1.821 50 0 DDAARP C[NH2+]CCCC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000237139143 257239841 /nfs/dbraw/zinc/23/98/41/257239841.db2.gz AVBASECVQKXFFM-HZPDHXFCSA-N 2 0 310.486 1.003 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCN2CCCC2=O)CC1 ZINC000069951338 406795527 /nfs/dbraw/zinc/79/55/27/406795527.db2.gz LPEGQQDQWUMKRH-OAHLLOKOSA-N 2 0 311.470 1.024 50 0 DDAARP OCC[NH2+]CCC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013733369 406867911 /nfs/dbraw/zinc/86/79/11/406867911.db2.gz MGQSIJRTZZGVRQ-UHFFFAOYSA-N 2 0 302.378 1.331 50 0 DDAARP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082092647 407081194 /nfs/dbraw/zinc/08/11/94/407081194.db2.gz HQOFHZCAKOZAOU-AWEZNQCLSA-N 2 0 302.422 1.162 50 0 DDAARP Cc1cnc(CC[C@@H]2CCCN2C(=O)CCn2ccnc2)n1C ZINC000257175798 407480029 /nfs/dbraw/zinc/48/00/29/407480029.db2.gz QWCYWRDBCGRLIR-HNNXBMFYSA-N 2 0 315.421 1.939 50 0 DDAARP COC[C@@H]1CC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244700937 407930927 /nfs/dbraw/zinc/93/09/27/407930927.db2.gz JWUBPMTUVMUKAG-LJQANCHMSA-N 2 0 317.477 1.773 50 0 DDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000132443887 196256356 /nfs/dbraw/zinc/25/63/56/196256356.db2.gz VBKPQKUICPTYCA-HNNXBMFYSA-N 2 0 302.422 1.002 50 0 DDAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237609984 278381872 /nfs/dbraw/zinc/38/18/72/278381872.db2.gz YJXVBIAGLJADIN-ULQDDVLXSA-N 2 0 322.497 1.146 50 0 DDAARP Cc1nn(CC[NH+]2CCC([C@@H](C)O)CC2)cc1C[NH2+]C1CCC1 ZINC000065425895 696344936 /nfs/dbraw/zinc/34/49/36/696344936.db2.gz KQHOIEFEFBZKOZ-OAHLLOKOSA-N 2 0 320.481 1.926 50 0 DDAARP OCc1cc(N2CC[NH+](C3Cc4ccccc4C3)CC2)cc[nH+]1 ZINC000065404683 696345069 /nfs/dbraw/zinc/34/50/69/696345069.db2.gz QGVXCJFSALCNML-UHFFFAOYSA-N 2 0 309.413 1.863 50 0 DDAARP Cc1ccc(C2(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)CC[NH2+]CC2)nc1 ZINC000102382792 696610372 /nfs/dbraw/zinc/61/03/72/696610372.db2.gz IYVCWLZLHIYLIW-FVQHAEBGSA-N 2 0 315.461 1.999 50 0 DDAARP COCCC[N@@H+]1CC[C@H](C[NH2+]C2CSCCSC2)C1 ZINC000952980888 721531708 /nfs/dbraw/zinc/53/17/08/721531708.db2.gz RWCBGHJWJFYYJB-CYBMUJFWSA-N 2 0 304.525 1.783 50 0 DDAARP CN(CC[NH+](C)C)C(=O)[C@@H]1Cc2[nH]cnc2C2(CCCCC2)N1 ZINC000675016183 737519433 /nfs/dbraw/zinc/51/94/33/737519433.db2.gz ALMABJRDHWNSGD-AWEZNQCLSA-N 2 0 319.453 1.103 50 0 DDAARP COC(=O)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cc1 ZINC000072143921 191050780 /nfs/dbraw/zinc/05/07/80/191050780.db2.gz LIUKVYCWFGHMQI-SFHVURJKSA-N 2 0 320.433 1.752 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237432146 202263552 /nfs/dbraw/zinc/26/35/52/202263552.db2.gz YJXVBIAGLJADIN-ZACQAIPSSA-N 2 0 322.497 1.146 50 0 DDAARP Cc1ccc(C)c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])c1 ZINC000091625044 193080622 /nfs/dbraw/zinc/08/06/22/193080622.db2.gz GHARXNXPLUSJOY-MSOLQXFVSA-N 2 0 318.461 1.994 50 0 DDAARP C[NH+](C)CCC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006936240 406745244 /nfs/dbraw/zinc/74/52/44/406745244.db2.gz DBAGOYSKCLDZMW-AEFFLSMTSA-N 2 0 306.450 1.983 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069511863 406725810 /nfs/dbraw/zinc/72/58/10/406725810.db2.gz LYEUXLHFGSUWFN-WBMJQRKESA-N 2 0 323.412 1.035 50 0 DDAARP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2CCC[NH+](C)CC2)C1 ZINC000067770495 407283664 /nfs/dbraw/zinc/28/36/64/407283664.db2.gz DPCPQNJKIIFUEK-KRWDZBQOSA-N 2 0 324.513 1.108 50 0 DDAARP Cc1nc(NCC[N@@H+]2CCC[C@@H](O)C2)cc(C2CC[NH2+]CC2)n1 ZINC000067847546 407287351 /nfs/dbraw/zinc/28/73/51/407287351.db2.gz QVEGCGBGYIBMQE-OAHLLOKOSA-N 2 0 319.453 1.121 50 0 DDAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000215860871 407491010 /nfs/dbraw/zinc/49/10/10/407491010.db2.gz VUTINTFKBYOKRP-KRWDZBQOSA-N 2 0 304.434 1.694 50 0 DDAARP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178562907 407492938 /nfs/dbraw/zinc/49/29/38/407492938.db2.gz GQZAZNWPCWZWLS-GFCCVEGCSA-N 2 0 301.390 1.915 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000069582479 278395760 /nfs/dbraw/zinc/39/57/60/278395760.db2.gz SEMDCYDFICSGLZ-DYVFJYSZSA-N 2 0 310.413 1.542 50 0 DDAARP CN(CC[NH+](C)C)c1nc(CC2CC2)nc2c1CC[N@H+](C)CC2 ZINC000072429040 191161831 /nfs/dbraw/zinc/16/18/31/191161831.db2.gz HGZVVRVZMQFNNX-UHFFFAOYSA-N 2 0 317.481 1.457 50 0 DDAARP Cc1[nH+]c(N(C)C)nc(NCCC[N@@H+]2CCC[C@@H](O)C2)c1C ZINC000065454139 184347175 /nfs/dbraw/zinc/34/71/75/184347175.db2.gz GALUOTWLWOEZPB-CQSZACIVSA-N 2 0 307.442 1.418 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237432479 257238510 /nfs/dbraw/zinc/23/85/10/257238510.db2.gz LWRBCUNUKIURBO-NUJGCVRESA-N 2 0 322.497 1.003 50 0 DDAARP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCn3cccn3)C2)CC1 ZINC000952981928 721531689 /nfs/dbraw/zinc/53/16/89/721531689.db2.gz KUSBPKLRJIINBX-QGZVFWFLSA-N 2 0 305.470 1.233 50 0 DDAARP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167774072 354250324 /nfs/dbraw/zinc/25/03/24/354250324.db2.gz FOVNEYBQTHCBNV-JKSUJKDBSA-N 2 0 309.454 1.232 50 0 DDAARP O=C1NCC2(CC[NH+](C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)O1 ZINC000072166521 296364881 /nfs/dbraw/zinc/36/48/81/296364881.db2.gz PFQFUOQTVOWHNA-LSDHHAIUSA-N 2 0 307.438 1.825 50 0 DDAARP C[N@@H+]1CCCSCCSCCCN(CCC[NH3+])CC1 ZINC000068604879 406653707 /nfs/dbraw/zinc/65/37/07/406653707.db2.gz ZOTILCDRTMFWHD-UHFFFAOYSA-N 2 0 305.557 1.829 50 0 DDAARP CSC[C@@H](C)[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012196883 406839129 /nfs/dbraw/zinc/83/91/29/406839129.db2.gz DOUMKORXDQWLFY-CQSZACIVSA-N 2 0 315.527 1.908 50 0 DDAARP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000071883682 406861314 /nfs/dbraw/zinc/86/13/14/406861314.db2.gz MMLRJKYIPKTAHF-KRWDZBQOSA-N 2 0 303.450 1.617 50 0 DDAARP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C[NH2+]CCCO ZINC000033736598 406963044 /nfs/dbraw/zinc/96/30/44/406963044.db2.gz YVHMDUOTURLDTR-WBVHZDCISA-N 2 0 317.433 1.101 50 0 DDAARP O=C(NCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1ccncc1 ZINC000067947695 407290907 /nfs/dbraw/zinc/29/09/07/407290907.db2.gz QQDDPKYBUSMJHQ-UHFFFAOYSA-N 2 0 316.449 1.713 50 0 DDAARP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000253416025 407443409 /nfs/dbraw/zinc/44/34/09/407443409.db2.gz MIRFHXCSFHZCFK-HIFRSBDPSA-N 2 0 311.451 1.154 50 0 DDAARP NC(=O)[C@H](c1ccccc1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261893227 407657875 /nfs/dbraw/zinc/65/78/75/407657875.db2.gz ZXDNINZCDXJOCE-SQNIBIBYSA-N 2 0 309.413 1.887 50 0 DDAARP C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000178982078 407679370 /nfs/dbraw/zinc/67/93/70/407679370.db2.gz LOEOXDNAFHMNAV-CQSZACIVSA-N 2 0 305.422 1.309 50 0 DDAARP COc1cccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000191124128 408374028 /nfs/dbraw/zinc/37/40/28/408374028.db2.gz XUZLRYNAQUPPDV-CQSZACIVSA-N 2 0 305.422 1.681 50 0 DDAARP CC[C@@]1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]1 ZINC000184162378 408561797 /nfs/dbraw/zinc/56/17/97/408561797.db2.gz VOUSDJAVPCWNJD-KRWDZBQOSA-N 2 0 309.454 1.089 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000408513591 418806226 /nfs/dbraw/zinc/80/62/26/418806226.db2.gz LWRBCUNUKIURBO-JFIYKMOQSA-N 2 0 322.497 1.003 50 0 DDAARP C[N@@H+]1CC2(C[C@H]1C(=O)NC1Cc3ccccc3C1)CC[NH2+]CC2 ZINC000072433321 277022848 /nfs/dbraw/zinc/02/28/48/277022848.db2.gz GRCIZVSHDCCZQK-KRWDZBQOSA-N 2 0 313.445 1.344 50 0 DDAARP CCn1c(=O)n(CC[NH+](C)C)nc1[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000067982375 696366039 /nfs/dbraw/zinc/36/60/39/696366039.db2.gz NPRRARZIUIORNS-HNNXBMFYSA-N 2 0 323.485 1.462 50 0 DDAARP CN(CCC[NH+]1CCCCCC1)C(=O)[C@H]1[C@@H]([NH3+])[C@H]2C=C[C@@H]1C2 ZINC000952974576 721530560 /nfs/dbraw/zinc/53/05/60/721530560.db2.gz DDBIKBTUHDHONB-TWMKSMIVSA-N 2 0 305.466 1.860 50 0 DDAARP Cc1ccccc1OCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000095398719 185353691 /nfs/dbraw/zinc/35/36/91/185353691.db2.gz MFGPITYAYBLLCA-UHFFFAOYSA-N 2 0 305.466 1.943 50 0 DDAARP C[N@H+](CCCN1CC[NH+](C)CC1)CC[S@@](=O)c1ccccc1 ZINC000095446771 185367503 /nfs/dbraw/zinc/36/75/03/185367503.db2.gz MIBRRFBQMMSYRQ-QFIPXVFZSA-N 2 0 323.506 1.364 50 0 DDAARP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CO)o1)C2 ZINC000685940601 539564319 /nfs/dbraw/zinc/56/43/19/539564319.db2.gz DIOCTZXYNNXHAP-NCOADZHNSA-N 2 0 308.422 1.341 50 0 DDAARP O[C@@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CCC[NH2+]C1 ZINC000072408934 191154713 /nfs/dbraw/zinc/15/47/13/191154713.db2.gz NUAWDIQICLXIEB-AWEZNQCLSA-N 2 0 318.339 1.832 50 0 DDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000072434806 191165467 /nfs/dbraw/zinc/16/54/67/191165467.db2.gz ZJBIYAXGRYSWHC-DZGCQCFKSA-N 2 0 307.463 1.780 50 0 DDAARP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167773743 354250415 /nfs/dbraw/zinc/25/04/15/354250415.db2.gz FOVNEYBQTHCBNV-CVEARBPZSA-N 2 0 309.454 1.232 50 0 DDAARP O=C(C[NH+]1CCCCCC1)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000584903089 354801883 /nfs/dbraw/zinc/80/18/83/354801883.db2.gz ZMYOIRMMUSNIKH-MRXNPFEDSA-N 2 0 311.470 1.216 50 0 DDAARP [NH3+]Cc1nc2cc(Cc3ccc4[nH]c(C[NH3+])nc4c3)ccc2[nH]1 ZINC000005687383 181272808 /nfs/dbraw/zinc/27/28/08/181272808.db2.gz YSSSNWBTJZFNFW-UHFFFAOYSA-N 2 0 306.373 1.947 50 0 DDAARP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000006548828 181353056 /nfs/dbraw/zinc/35/30/56/181353056.db2.gz SWVJLLXHTRPJLS-INIZCTEOSA-N 2 0 322.449 1.806 50 0 DDAARP C[NH+](C)C1(CNc2cc(C3CC([NH3+])C3)ncn2)CCOCC1 ZINC000222766495 407562125 /nfs/dbraw/zinc/56/21/25/407562125.db2.gz QBWYTCQMYVLVLZ-UHFFFAOYSA-N 2 0 305.426 1.204 50 0 DDAARP O[C@@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000077521077 406994530 /nfs/dbraw/zinc/99/45/30/406994530.db2.gz LOQKRFDWHCUGGZ-SFHVURJKSA-N 2 0 304.434 1.782 50 0 DDAARP C[C@H](c1cnccn1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000253432291 407451692 /nfs/dbraw/zinc/45/16/92/407451692.db2.gz YGYLBIDNWMMBTQ-MRXNPFEDSA-N 2 0 317.481 1.887 50 0 DDAARP COC1CC[NH+](CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000244873276 407941741 /nfs/dbraw/zinc/94/17/41/407941741.db2.gz WNDLUVJUNZLQPH-UHFFFAOYSA-N 2 0 317.477 1.915 50 0 DDAARP COCC[NH2+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000263271113 408084559 /nfs/dbraw/zinc/08/45/59/408084559.db2.gz OZWGNPNIAFUYNH-HZPDHXFCSA-N 2 0 311.470 1.335 50 0 DDAARP C[C@H]([NH3+])C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000168598606 162180937 /nfs/dbraw/zinc/18/09/37/162180937.db2.gz YNEBDVSQJJKCHW-GWCFXTLKSA-N 2 0 313.804 1.907 50 0 DDAARP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cc1ccc(OCC[NH3+])cc1)C2 ZINC000426546176 419504983 /nfs/dbraw/zinc/50/49/83/419504983.db2.gz MDNBDKVGIRCDQP-JKSUJKDBSA-N 2 0 317.433 1.262 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000069347327 279564033 /nfs/dbraw/zinc/56/40/33/279564033.db2.gz MIQWLXAOJUCSGA-AWEZNQCLSA-N 2 0 316.449 1.756 50 0 DDAARP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](C1CCC1)CC2 ZINC000581802880 761709309 /nfs/dbraw/zinc/70/93/09/761709309.db2.gz QWMOHOFADBDCAY-INIZCTEOSA-N 2 0 321.465 1.184 50 0 DDAARP CCn1cc(C[NH+]2CCC([C@H](C)[NH+]3CCOCC3)CC2)cn1 ZINC000072425859 191159489 /nfs/dbraw/zinc/15/94/89/191159489.db2.gz AEKLMJQGBVPRTL-HNNXBMFYSA-N 2 0 306.454 1.836 50 0 DDAARP c1nc2c(c(NC[C@@H]3CC[N@@H+](C4CCCC4)C3)n1)CC[NH2+]CC2 ZINC000072447802 191168542 /nfs/dbraw/zinc/16/85/42/191168542.db2.gz QRBFRXHZQPDYNP-AWEZNQCLSA-N 2 0 315.465 1.841 50 0 DDAARP Cc1ncc2c(c1CNC(=O)C[C@@H]1CCCC[N@H+]1C)CC[NH2+]C2 ZINC000072447665 191169321 /nfs/dbraw/zinc/16/93/21/191169321.db2.gz OIWWFFNNIFNGGT-HNNXBMFYSA-N 2 0 316.449 1.526 50 0 DDAARP C[C@H]1CCC[C@@H]([NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)C1 ZINC000019359208 182118171 /nfs/dbraw/zinc/11/81/71/182118171.db2.gz MYJDDEWXFJRWBN-FUHWJXTLSA-N 2 0 309.498 1.639 50 0 DDAARP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC000012302807 406841161 /nfs/dbraw/zinc/84/11/61/406841161.db2.gz GLKNVPGJIKUCKK-OAHLLOKOSA-N 2 0 305.466 1.851 50 0 DDAARP CC(C)[N@H+](CCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)C1CC1 ZINC000089869577 407154326 /nfs/dbraw/zinc/15/43/26/407154326.db2.gz AWILUHJHQRMILE-HNNXBMFYSA-N 2 0 308.470 1.643 50 0 DDAARP O=C(NCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000055242595 407198203 /nfs/dbraw/zinc/19/82/03/407198203.db2.gz WYIZRTZAJFTQBM-DLBZAZTESA-N 2 0 316.449 1.666 50 0 DDAARP CN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@H]1CC[N@H+](C)C1 ZINC000065508635 407244131 /nfs/dbraw/zinc/24/41/31/407244131.db2.gz CMWNXXGKLIKNHS-JTQLQIEISA-N 2 0 303.435 1.477 50 0 DDAARP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2CCC[NH+](C)CC2)C1 ZINC000067770493 407283433 /nfs/dbraw/zinc/28/34/33/407283433.db2.gz DPCPQNJKIIFUEK-QGZVFWFLSA-N 2 0 324.513 1.108 50 0 DDAARP CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)[NH+](CCCO)C2)CC1 ZINC000257176420 407481677 /nfs/dbraw/zinc/48/16/77/407481677.db2.gz SSLLYSJUSSMOOY-AWEZNQCLSA-N 2 0 308.426 1.609 50 0 DDAARP C[NH2+]C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000253416072 407443023 /nfs/dbraw/zinc/44/30/23/407443023.db2.gz VPHFVQAXXRSWET-UHFFFAOYSA-N 2 0 311.451 1.121 50 0 DDAARP C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237398924 407814921 /nfs/dbraw/zinc/81/49/21/407814921.db2.gz ICTMLYJRBZTMGN-BHYGNILZSA-N 2 0 301.434 1.847 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237606360 407829929 /nfs/dbraw/zinc/82/99/29/407829929.db2.gz NZQXUJKFBKEWIH-GASCZTMLSA-N 2 0 310.486 1.131 50 0 DDAARP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC000242346832 222213611 /nfs/dbraw/zinc/21/36/11/222213611.db2.gz ZJNGIMLUMAQTFB-BPKGMFCQSA-N 2 0 323.481 1.523 50 0 DDAARP CCC[N@@H+]1CCCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000084755317 484001903 /nfs/dbraw/zinc/00/19/03/484001903.db2.gz GWUYHGWIHBEDEH-UHFFFAOYSA-N 2 0 322.497 1.147 50 0 DDAARP CN(CCC[NH+](C)C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000019148580 696068290 /nfs/dbraw/zinc/06/82/90/696068290.db2.gz YHNJSMQMWFEHOC-MSOLQXFVSA-N 2 0 317.477 1.607 50 0 DDAARP CCn1cc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3COC)CC2)cn1 ZINC000169789861 697346327 /nfs/dbraw/zinc/34/63/27/697346327.db2.gz QKXUPRSLKZGAEI-INIZCTEOSA-N 2 0 306.454 1.693 50 0 DDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](C1CCC1)CC2 ZINC000581802883 761709849 /nfs/dbraw/zinc/70/98/49/761709849.db2.gz QWMOHOFADBDCAY-MRXNPFEDSA-N 2 0 321.465 1.184 50 0 DDAARP [NH3+]C[C@@H]1C[N@H+](C[C@]2(O)CCC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000952877868 775627814 /nfs/dbraw/zinc/62/78/14/775627814.db2.gz WKBOTZDYKAXVDA-SQNIBIBYSA-N 3 0 303.450 1.165 50 0 DDAARP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3)c2)C1 ZINC000088717445 185263055 /nfs/dbraw/zinc/26/30/55/185263055.db2.gz JMQCDLHMEOLJFJ-IAGOWNOFSA-N 2 0 317.433 1.262 50 0 DDAARP O=C(C[C@H]1C[NH2+]CCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163853479 186140407 /nfs/dbraw/zinc/14/04/07/186140407.db2.gz RAMWIQTYCPZZDN-KRWDZBQOSA-N 2 0 317.433 1.277 50 0 DDAARP CCN1CC2(CC[NH+](Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072436474 191165350 /nfs/dbraw/zinc/16/53/50/191165350.db2.gz QROPCRKLRKMBHK-UHFFFAOYSA-N 2 0 317.433 1.995 50 0 DDAARP C[NH+](C)CCC[NH2+]CCCNC(=O)c1nc2ccccc2s1 ZINC000022473364 182322938 /nfs/dbraw/zinc/32/29/38/182322938.db2.gz NVVFXLXTBVJHNQ-UHFFFAOYSA-N 2 0 320.462 1.958 50 0 DDAARP CC[NH+](CC)CCC[NH2+]C[C@@H](O)COc1ccc(C(C)=O)cc1 ZINC000023623642 182364737 /nfs/dbraw/zinc/36/47/37/182364737.db2.gz CIVWISVCYCIWMI-QGZVFWFLSA-N 2 0 322.449 1.950 50 0 DDAARP Cc1[nH+]c(N(C)C)nc(NCC[N@@H+]2CCCC[C@@H]2CO)c1C ZINC000065407990 184339316 /nfs/dbraw/zinc/33/93/16/184339316.db2.gz WMVDYAAMEIMYOO-CQSZACIVSA-N 2 0 307.442 1.418 50 0 DDAARP C[NH+](C)CCCNC(=O)c1cn(CC[NH+](C)C)c2ccccc12 ZINC000075582397 406936222 /nfs/dbraw/zinc/93/62/22/406936222.db2.gz HYZXKSHAAQPEQF-UHFFFAOYSA-N 2 0 316.449 1.884 50 0 DDAARP O[C@]1(C[NH2+]CC2(c3cccc(F)c3)CCOCC2)CC[NH2+]C1 ZINC000077300301 406983061 /nfs/dbraw/zinc/98/30/61/406983061.db2.gz QLHJLAAJEONKAW-QGZVFWFLSA-N 2 0 308.397 1.188 50 0 DDAARP CN(C)c1nccc(N2CC[NH+](C[C@H]3CCC=CO3)CC2)n1 ZINC000170607075 407451024 /nfs/dbraw/zinc/45/10/24/407451024.db2.gz VDZURSDIICISOB-CQSZACIVSA-N 2 0 303.410 1.357 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237607122 407829326 /nfs/dbraw/zinc/82/93/26/407829326.db2.gz GTYGEGXCAUMQSN-YYIAUSFCSA-N 2 0 322.497 1.131 50 0 DDAARP COc1ccc(OCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000244872902 407941706 /nfs/dbraw/zinc/94/17/06/407941706.db2.gz WGQAEDZBNOGZLH-INIZCTEOSA-N 2 0 319.449 1.444 50 0 DDAARP C[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249418122 408725277 /nfs/dbraw/zinc/72/52/77/408725277.db2.gz DDGVDVPRXKLRPY-NHYWBVRUSA-N 2 0 313.804 1.808 50 0 DDAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069813340 279259880 /nfs/dbraw/zinc/25/98/80/279259880.db2.gz LGJGXECJLUCRIM-UONOGXRCSA-N 2 0 307.442 1.023 50 0 DDAARP CCN1CC[NH+](C2CCN(C[C@H]3CCC[N@H+](CC)C3)CC2)CC1 ZINC000020385098 696070196 /nfs/dbraw/zinc/07/01/96/696070196.db2.gz MAWFPRXYSPNXHU-SFHVURJKSA-N 2 0 322.541 1.820 50 0 DDAARP C[N@H+](CC1CC[NH+](C)CC1)CC1(CS(C)(=O)=O)CCC1 ZINC000095973418 282393742 /nfs/dbraw/zinc/39/37/42/282393742.db2.gz OLVCNKUSIOUJRG-UHFFFAOYSA-N 2 0 302.484 1.475 50 0 DDAARP C[N@@H+]1CC2(C[C@@H]1C(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000072477687 191179608 /nfs/dbraw/zinc/17/96/08/191179608.db2.gz DRTRAGKHAFKRKO-MRXNPFEDSA-N 2 0 317.433 1.256 50 0 DDAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C)no3)CC[C@H]21 ZINC000072478397 191179943 /nfs/dbraw/zinc/17/99/43/191179943.db2.gz ZFWLBIDXJZQDTM-DZGCQCFKSA-N 2 0 306.410 1.015 50 0 DDAARP CN(C)C1(C[NH2+]C2CSCCSC2)CC[NH+](C)CC1 ZINC000584898753 354798633 /nfs/dbraw/zinc/79/86/33/354798633.db2.gz AYFMWDSXHHYYJP-UHFFFAOYSA-N 2 0 303.541 1.451 50 0 DDAARP C[C@@H]1C[C@H](NCc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140762 354814007 /nfs/dbraw/zinc/81/40/07/354814007.db2.gz JJPDEBISQMYMRD-CHWSQXEVSA-N 2 0 322.453 1.948 50 0 DDAARP COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000020220135 257268928 /nfs/dbraw/zinc/26/89/28/257268928.db2.gz VFHXQQAZRFYJPZ-UHFFFAOYSA-N 2 0 303.450 1.907 50 0 DDAARP C[C@H]1C[C@@H](Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[N@@H+]1C1CC1 ZINC000097034044 407276143 /nfs/dbraw/zinc/27/61/43/407276143.db2.gz BOCJQDLNPGIMHA-SWLSCSKDSA-N 2 0 316.449 1.884 50 0 DDAARP C[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385729 407309464 /nfs/dbraw/zinc/30/94/64/407309464.db2.gz UCCIGPJBAHWHOJ-JKSUJKDBSA-N 2 0 306.454 1.374 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000178889078 407644019 /nfs/dbraw/zinc/64/40/19/407644019.db2.gz WJEGRDZGIGAOIA-HYVNUMGLSA-N 2 0 316.449 1.550 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000237607040 407828201 /nfs/dbraw/zinc/82/82/01/407828201.db2.gz YJXVBIAGLJADIN-BBWFWOEESA-N 2 0 322.497 1.146 50 0 DDAARP C[C@H]([NH3+])C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246718477 408321488 /nfs/dbraw/zinc/32/14/88/408321488.db2.gz XLQUFWXWDGZVQP-QSJFSLAZSA-N 2 0 303.450 1.949 50 0 DDAARP C[C@@H]1CC[N@H+](CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000408517195 418807046 /nfs/dbraw/zinc/80/70/46/418807046.db2.gz CBRDNZPRMVHBQL-OAHLLOKOSA-N 2 0 311.470 1.288 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000299738646 229369799 /nfs/dbraw/zinc/36/97/99/229369799.db2.gz DMIWIFRKSFNVRP-IIAWOOMASA-N 2 0 302.422 1.018 50 0 DDAARP Cc1cccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662261190 424525738 /nfs/dbraw/zinc/52/57/38/424525738.db2.gz UJIOUWQKZAXEHA-QGZVFWFLSA-N 2 0 301.434 1.638 50 0 DDAARP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H](C)n2cccn2)CC1 ZINC000069813346 279260071 /nfs/dbraw/zinc/26/00/71/279260071.db2.gz LGJGXECJLUCRIM-KGLIPLIRSA-N 2 0 307.442 1.023 50 0 DDAARP CN(CCCC[NH+]1CCOCC1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000220681243 539265023 /nfs/dbraw/zinc/26/50/23/539265023.db2.gz RGNGVWSILYOUEH-UHFFFAOYSA-N 2 0 319.453 1.230 50 0 DDAARP c1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000097019928 185398156 /nfs/dbraw/zinc/39/81/56/185398156.db2.gz YWSQCWNYKMLUQG-MRXNPFEDSA-N 2 0 317.433 1.327 50 0 DDAARP Cn1cccc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000080373777 192152961 /nfs/dbraw/zinc/15/29/61/192152961.db2.gz WTTCBKUNYQYLBT-UHFFFAOYSA-N 2 0 320.481 1.741 50 0 DDAARP C[NH+]1CCC2(CCCN2C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000331683342 282732217 /nfs/dbraw/zinc/73/22/17/282732217.db2.gz ROIJPUOJVHQCFW-NSHDSACASA-N 2 0 322.375 1.536 50 0 DDAARP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccncc2)CC1 ZINC000080373772 353604336 /nfs/dbraw/zinc/60/43/36/353604336.db2.gz MXILLZSWWJVMBE-UHFFFAOYSA-N 2 0 318.465 1.798 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000069899237 406788919 /nfs/dbraw/zinc/78/89/19/406788919.db2.gz SWJUZHPCBHHHEO-MRXNPFEDSA-N 2 0 314.376 1.292 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2nnc(-c3ccccc3)o2)CC1 ZINC000071870939 406856005 /nfs/dbraw/zinc/85/60/05/406856005.db2.gz BTVUIOSQLHBIIW-UHFFFAOYSA-N 2 0 316.405 1.531 50 0 DDAARP CC(C)C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000038149482 407000798 /nfs/dbraw/zinc/00/07/98/407000798.db2.gz QYBDHKXICKUGBH-GOSISDBHSA-N 2 0 311.514 1.884 50 0 DDAARP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]2CCCO[C@H]21 ZINC000230189024 407682825 /nfs/dbraw/zinc/68/28/25/407682825.db2.gz DZJIWJFMWWOXKG-CAOSSQGBSA-N 2 0 323.481 1.367 50 0 DDAARP COc1ccc(CN(C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)cc1 ZINC000244811439 407937431 /nfs/dbraw/zinc/93/74/31/407937431.db2.gz SCRGGGMTQUNEMY-HDJSIYSDSA-N 2 0 315.421 1.660 50 0 DDAARP C[C@H]([NH3+])C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000168598409 162181166 /nfs/dbraw/zinc/18/11/66/162181166.db2.gz YNEBDVSQJJKCHW-GXFFZTMASA-N 2 0 313.804 1.907 50 0 DDAARP COc1cccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000191124111 408373615 /nfs/dbraw/zinc/37/36/15/408373615.db2.gz XUZLRYNAQUPPDV-AWEZNQCLSA-N 2 0 305.422 1.681 50 0 DDAARP C[NH+](C)C1CCN(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194068798 408762832 /nfs/dbraw/zinc/76/28/32/408762832.db2.gz NMBWEJVLDKKSLV-BRWVUGGUSA-N 2 0 307.482 1.560 50 0 DDAARP CN1CCC[NH2+]CCN(Cc2ccccc2)CCC[N@H+](C)CC1 ZINC000068604161 277052727 /nfs/dbraw/zinc/05/27/27/277052727.db2.gz MPWAAQGROPRQBN-UHFFFAOYSA-N 2 0 318.509 1.736 50 0 DDAARP CN1CC[NH+](CC2(CNC(=O)[C@@H]3CCCCC[N@@H+]3C)CC2)CC1 ZINC000952979638 721531330 /nfs/dbraw/zinc/53/13/30/721531330.db2.gz QTHYHFMTCHSBJC-INIZCTEOSA-N 2 0 322.497 1.005 50 0 DDAARP CC(C)c1nccn1CCC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000952990199 721533084 /nfs/dbraw/zinc/53/30/84/721533084.db2.gz WMCWUUJLQOOEKP-MRXNPFEDSA-N 2 0 307.486 1.622 50 0 DDAARP c1cn(C[C@@H]2CCCN(Cc3cc4n(n3)CC[NH2+]C4)C2)cn1 ZINC000072172527 191069801 /nfs/dbraw/zinc/06/98/01/191069801.db2.gz GWAMRIZJUQBSGE-CQSZACIVSA-N 3 0 300.410 1.095 50 0 DDAARP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)o1 ZINC000005815095 352115680 /nfs/dbraw/zinc/11/56/80/352115680.db2.gz CVYHCMLBLNXQTI-UHFFFAOYSA-N 2 0 307.438 1.868 50 0 DDAARP CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000584896612 354797062 /nfs/dbraw/zinc/79/70/62/354797062.db2.gz ININUZLOZSMWGC-MRXNPFEDSA-N 2 0 309.454 1.040 50 0 DDAARP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237685326 257238590 /nfs/dbraw/zinc/23/85/90/257238590.db2.gz WJEGRDZGIGAOIA-XIRDDKMYSA-N 2 0 316.449 1.550 50 0 DDAARP O[C@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CC[NH2+]C1 ZINC000077322325 406984906 /nfs/dbraw/zinc/98/49/06/406984906.db2.gz PCTKKAXSBYVHOR-ZDUSSCGKSA-N 2 0 304.312 1.442 50 0 DDAARP CC(C)[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)C1CC1 ZINC000089869575 407154523 /nfs/dbraw/zinc/15/45/23/407154523.db2.gz AWILUHJHQRMILE-OAHLLOKOSA-N 2 0 308.470 1.643 50 0 DDAARP CSc1cccc(CN(C)C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)c1 ZINC000096160531 407241803 /nfs/dbraw/zinc/24/18/03/407241803.db2.gz PIHNKWRRZLDQKD-RHSMWYFYSA-N 2 0 319.474 1.518 50 0 DDAARP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237511958 407822966 /nfs/dbraw/zinc/82/29/66/407822966.db2.gz GCTNXQPAEVBOSX-DJIMGWMZSA-N 2 0 301.434 1.847 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000237606660 407830094 /nfs/dbraw/zinc/83/00/94/407830094.db2.gz ZJMYXZXKESOAOF-IYBDPMFKSA-N 2 0 322.497 1.003 50 0 DDAARP C[C@H](CC(=O)NCCc1ccccc1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000253370944 408813909 /nfs/dbraw/zinc/81/39/09/408813909.db2.gz YOJDPKPNAQPNNY-LAVFITLUSA-N 2 0 315.461 1.793 50 0 DDAARP C[NH+]1CCN(C[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2CO)CC1 ZINC000095375733 277107790 /nfs/dbraw/zinc/10/77/90/277107790.db2.gz QVYSBVPLXNSUOT-RTBURBONSA-N 2 0 317.477 1.017 50 0 DDAARP COCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000824412340 759178282 /nfs/dbraw/zinc/17/82/82/759178282.db2.gz GQZUKZAFPSXNDV-HNNXBMFYSA-N 2 0 311.470 1.335 50 0 DDAARP C[C@H](CCO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000585137152 354812849 /nfs/dbraw/zinc/81/28/49/354812849.db2.gz KOCKZMVUYUVIJN-SNVBAGLBSA-N 2 0 316.348 1.930 50 0 DDAARP C[NH+](C)CC1(CO)CC[NH+](C2CSCCSC2)CC1 ZINC000584893097 354795003 /nfs/dbraw/zinc/79/50/03/354795003.db2.gz ALIYQVYCZZWIQP-UHFFFAOYSA-N 2 0 304.525 1.471 50 0 DDAARP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000237399778 202254198 /nfs/dbraw/zinc/25/41/98/202254198.db2.gz AXXXGMYQHFWVOR-SRABZTEZSA-N 2 0 323.481 1.462 50 0 DDAARP Cc1cc(NCC2([NH+]3CCN(C)CC3)CCCCC2)nc(N)[nH+]1 ZINC000091986195 193137433 /nfs/dbraw/zinc/13/74/33/193137433.db2.gz WQIMOBBJNVDITA-UHFFFAOYSA-N 2 0 318.469 1.729 50 0 DDAARP [NH3+][C@@H]1CCN(C(=O)C2(Oc3ccc(Cl)cc3)CC[NH2+]CC2)C1 ZINC000065433923 184344111 /nfs/dbraw/zinc/34/41/11/184344111.db2.gz MOJNTDXHICJUPU-CYBMUJFWSA-N 2 0 323.824 1.401 50 0 DDAARP CC[NH+](CC)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000084771221 407094538 /nfs/dbraw/zinc/09/45/38/407094538.db2.gz UZFZDABIUNDMTB-GOSISDBHSA-N 2 0 305.466 1.507 50 0 DDAARP C[C@@H]1C[C@@H](N(C)C(=O)C2([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564223 407829469 /nfs/dbraw/zinc/82/94/69/407829469.db2.gz AXSZTKLWLYAVCG-ZBFHGGJFSA-N 2 0 301.434 1.989 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000299740169 410605325 /nfs/dbraw/zinc/60/53/25/410605325.db2.gz WOLCXAMZOAZHES-YVSFHVDLSA-N 2 0 322.497 1.131 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000299738815 410604828 /nfs/dbraw/zinc/60/48/28/410604828.db2.gz GTYGEGXCAUMQSN-VVLHAWIVSA-N 2 0 322.497 1.131 50 0 DDAARP C[NH+](C)CC1(CNC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000096502968 289091398 /nfs/dbraw/zinc/09/13/98/289091398.db2.gz DNUKBEMFYGJNAG-HUUCEWRRSA-N 2 0 310.486 1.890 50 0 DDAARP C[NH+](C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CSCCSC1 ZINC000219943420 289171457 /nfs/dbraw/zinc/17/14/57/289171457.db2.gz JNHLRXDIVWJUST-ZIAGYGMSSA-N 2 0 320.524 1.160 50 0 DDAARP Cc1nccn1-c1ccccc1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000534637712 334309954 /nfs/dbraw/zinc/30/99/54/334309954.db2.gz QIRJWIZJJJGGCX-OAHLLOKOSA-N 2 0 314.389 1.175 50 0 DDAARP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)NC[C@H]1CC[N@@H+]1C1CC1 ZINC000888100208 709213649 /nfs/dbraw/zinc/21/36/49/709213649.db2.gz XAKBRFQJLDFSEA-IAGOWNOFSA-N 2 0 320.481 1.929 50 0 DDAARP [NH3+]CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072156020 191059547 /nfs/dbraw/zinc/05/95/47/191059547.db2.gz PHSTUBSVTAWKPF-QGZVFWFLSA-N 2 0 316.449 1.148 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000237432381 202264610 /nfs/dbraw/zinc/26/46/10/202264610.db2.gz YLYJPPMTEIWCSK-RKVPGOIHSA-N 2 0 322.497 1.131 50 0 DDAARP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000247024983 202638718 /nfs/dbraw/zinc/63/87/18/202638718.db2.gz RPEYLIGAEINUBE-IMJJTQAJSA-N 2 0 309.454 1.264 50 0 DDAARP Cn1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+](C)C)C3)ccc21 ZINC000091390840 193049088 /nfs/dbraw/zinc/04/90/88/193049088.db2.gz UJIGHQLHXILPKE-IAGOWNOFSA-N 2 0 301.434 1.780 50 0 DDAARP O[C@H](C[NH+]1CCC(C[NH2+]Cc2cc[nH]n2)CC1)c1ccccc1 ZINC000069490778 285349833 /nfs/dbraw/zinc/34/98/33/285349833.db2.gz KTOZFVQMWXGKRB-GOSISDBHSA-N 2 0 314.433 1.945 50 0 DDAARP CN(CC[NH+]1CCCCCC1)c1cc(C2CC([NH3+])C2)ncn1 ZINC000223156760 407566138 /nfs/dbraw/zinc/56/61/38/407566138.db2.gz NBAMRYRNQHSGPB-UHFFFAOYSA-N 2 0 303.454 1.994 50 0 DDAARP COc1ccc(COC[C@H](O)C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000006906534 406743798 /nfs/dbraw/zinc/74/37/98/406743798.db2.gz ZYVNGCUKCCLAHW-MRXNPFEDSA-N 2 0 324.465 1.750 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000069511860 406726005 /nfs/dbraw/zinc/72/60/05/406726005.db2.gz LYEUXLHFGSUWFN-LRDDRELGSA-N 2 0 323.412 1.035 50 0 DDAARP [NH3+]CCC(=O)NCC[C@H]1C[N@@H+](C2CCCCCCC2)CCO1 ZINC000071278646 406836068 /nfs/dbraw/zinc/83/60/68/406836068.db2.gz SWTTYFDFOZUXMK-INIZCTEOSA-N 2 0 311.470 1.655 50 0 DDAARP C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000095362967 407209186 /nfs/dbraw/zinc/20/91/86/407209186.db2.gz VIXUCYOCBWMNOJ-AWEZNQCLSA-N 2 0 321.469 1.278 50 0 DDAARP CC[C@H]([NH3+])C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000195555040 407467558 /nfs/dbraw/zinc/46/75/58/407467558.db2.gz WUJRHCYNRVIPOK-INIZCTEOSA-N 2 0 304.438 1.884 50 0 DDAARP Cc1nn2c(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)c(C)nc2s1 ZINC000262097047 407739167 /nfs/dbraw/zinc/73/91/67/407739167.db2.gz VFYHPEJNHUMADX-UHFFFAOYSA-N 2 0 305.451 1.983 50 0 DDAARP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CC(Oc2cccc(Cl)c2)C1 ZINC000244633654 407929006 /nfs/dbraw/zinc/92/90/06/407929006.db2.gz GGYPHFMIBWMQFC-AWEZNQCLSA-N 2 0 311.813 1.386 50 0 DDAARP Cc1nccn1CC[N@@H+](C)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000244734889 407933806 /nfs/dbraw/zinc/93/38/06/407933806.db2.gz NNNAYAOZROWQTH-CQSZACIVSA-N 2 0 301.394 1.534 50 0 DDAARP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]2CCCO[C@@H]21 ZINC000104363370 418497462 /nfs/dbraw/zinc/49/74/62/418497462.db2.gz DZJIWJFMWWOXKG-JJXSEGSLSA-N 2 0 323.481 1.367 50 0 DDAARP Cc1ccccc1N1CCC([NH2+]C[C@@H]2CC[NH2+]C[C@H]2O)CC1 ZINC000426478149 419483897 /nfs/dbraw/zinc/48/38/97/419483897.db2.gz RQONBJWTWVNHFY-MAUKXSAKSA-N 2 0 303.450 1.524 50 0 DDAARP C[NH+]1CCN(C[C@@H]([NH2+]C2CCOCC2)c2ccccc2)CC1 ZINC000095421743 276927549 /nfs/dbraw/zinc/92/75/49/276927549.db2.gz LCVGMOKUMSZDJT-GOSISDBHSA-N 2 0 303.450 1.744 50 0 DDAARP O=C1Nc2ccccc2NC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000082116125 280304409 /nfs/dbraw/zinc/30/44/09/280304409.db2.gz IIBDQKRERADIET-CQSZACIVSA-N 2 0 314.433 1.885 50 0 DDAARP O=C(C1CC[NH2+]CC1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000534576744 334287968 /nfs/dbraw/zinc/28/79/68/334287968.db2.gz LUVQXNPIJJOZTJ-MRXNPFEDSA-N 2 0 309.454 1.089 50 0 DDAARP Clc1cccc(N2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c1 ZINC000864096820 706066544 /nfs/dbraw/zinc/06/65/44/706066544.db2.gz JKRXQEAETSRUDO-MRXNPFEDSA-N 2 0 321.852 1.841 50 0 DDAARP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc2c1OCO2 ZINC000042229091 183244865 /nfs/dbraw/zinc/24/48/65/183244865.db2.gz LFZLKXOKWPUIRR-LBPRGKRZSA-N 2 0 304.390 1.998 50 0 DDAARP COCCn1cnnc1[C@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067457967 407274347 /nfs/dbraw/zinc/27/43/47/407274347.db2.gz GPHHOAKYUYMAEB-AWEZNQCLSA-N 2 0 321.469 1.888 50 0 DDAARP CN(CC(=O)N[C@@H]1COC2(C1)CCCCC2)C1CC[NH2+]CC1 ZINC000534675210 334319992 /nfs/dbraw/zinc/31/99/92/334319992.db2.gz IDUJVGIDYFWZKY-AWEZNQCLSA-N 2 0 309.454 1.278 50 0 DDAARP O=C(C1CC[NH+](C2CCOCC2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000534661832 334321931 /nfs/dbraw/zinc/32/19/31/334321931.db2.gz CKIRNTJEYOLNQO-HOCLYGCPSA-N 2 0 321.465 1.088 50 0 DDAARP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698154 758343385 /nfs/dbraw/zinc/34/33/85/758343385.db2.gz OUQDYWSRIFNJBW-OAHLLOKOSA-N 2 0 311.470 1.288 50 0 DDAARP O[C@H]1[C@H]([NH2+]CCn2cccn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072152102 406874444 /nfs/dbraw/zinc/87/44/44/406874444.db2.gz HKQNSMXIJXHDOM-SJORKVTESA-N 2 0 312.417 1.210 50 0 DDAARP O=C(CCC[NH+]1CCCCC1)NCCCC[NH+]1CCOCC1 ZINC000072301563 406880790 /nfs/dbraw/zinc/88/07/90/406880790.db2.gz ZIHRHXWGRFECTO-UHFFFAOYSA-N 2 0 311.470 1.481 50 0 DDAARP O[C@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CCC[NH2+]C1 ZINC000077521081 406995002 /nfs/dbraw/zinc/99/50/02/406995002.db2.gz LOQKRFDWHCUGGZ-GOSISDBHSA-N 2 0 304.434 1.782 50 0 DDAARP OC[C@H]1CCCN(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067773001 407284406 /nfs/dbraw/zinc/28/44/06/407284406.db2.gz PKBJKCIXVMZOPP-INIZCTEOSA-N 2 0 309.498 1.593 50 0 DDAARP C[C@@H]1CC([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000242346834 407915328 /nfs/dbraw/zinc/91/53/28/407915328.db2.gz ZJNGIMLUMAQTFB-WCVJEAGWSA-N 2 0 323.481 1.523 50 0 DDAARP Cc1cccnc1NCCNc1cc([C@@H]2CCOC2)nc(N)n1 ZINC000426573342 419510258 /nfs/dbraw/zinc/51/02/58/419510258.db2.gz XNYYVBIRXUVXHX-GFCCVEGCSA-N 2 0 314.393 1.212 50 0 DDAARP CC[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)CC1 ZINC000089977312 185272963 /nfs/dbraw/zinc/27/29/63/185272963.db2.gz YCZIEKXXCRMMEY-KRWDZBQOSA-N 2 0 321.440 1.916 50 0 DDAARP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)COCc1ccccc1 ZINC000083877892 192389739 /nfs/dbraw/zinc/38/97/39/192389739.db2.gz UPNUVZDCVWTFNC-MSOLQXFVSA-N 2 0 306.450 1.980 50 0 DDAARP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072148730 191054385 /nfs/dbraw/zinc/05/43/85/191054385.db2.gz TUVPGKYPDSSXDH-KRWDZBQOSA-N 2 0 318.421 1.948 50 0 DDAARP CC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000012704877 406851449 /nfs/dbraw/zinc/85/14/49/406851449.db2.gz RFQFASOMJAYAEF-OAHLLOKOSA-N 2 0 310.438 1.885 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000071877266 406859342 /nfs/dbraw/zinc/85/93/42/406859342.db2.gz IBWSHVYEVZZMBQ-UHFFFAOYSA-N 2 0 302.340 1.898 50 0 DDAARP Cc1noc(C)c1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000095954451 407216832 /nfs/dbraw/zinc/21/68/32/407216832.db2.gz FQIYGHRODGLUSC-UHFFFAOYSA-N 2 0 322.453 1.318 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000252508362 408802638 /nfs/dbraw/zinc/80/26/38/408802638.db2.gz XLKIODAOAUQUEU-SFHVURJKSA-N 3 0 310.530 1.819 50 0 DDAARP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3)c2)C1 ZINC000088717442 185263028 /nfs/dbraw/zinc/26/30/28/185263028.db2.gz JMQCDLHMEOLJFJ-DLBZAZTESA-N 2 0 317.433 1.262 50 0 DDAARP COc1ccc(C[NH2+]CCC[NH2+]CCO)cc1Br ZINC000020967668 182257047 /nfs/dbraw/zinc/25/70/47/182257047.db2.gz JHXWHYARBQXLRS-UHFFFAOYSA-N 2 0 317.227 1.519 50 0 DDAARP C[C@@H](C[N@H+](C)Cc1cc(C[NH+](C)C)cs1)N1CCOCC1 ZINC000222837916 407562513 /nfs/dbraw/zinc/56/25/13/407562513.db2.gz AQUOJOLJSGUBOJ-AWEZNQCLSA-N 2 0 311.495 1.962 50 0 DDAARP C[NH+](C)CCN(C(=O)c1cc(C2CC2)n[nH]1)C1CC[NH+](C)CC1 ZINC000069843535 406778852 /nfs/dbraw/zinc/77/88/52/406778852.db2.gz LJEAOKNEJBOCCU-UHFFFAOYSA-N 2 0 319.453 1.385 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(N)=O)cc2)CC1 ZINC000069901369 406788631 /nfs/dbraw/zinc/78/86/31/406788631.db2.gz ZOFQGNIZSAWZFA-CQSZACIVSA-N 2 0 319.449 1.310 50 0 DDAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000095378940 407210658 /nfs/dbraw/zinc/21/06/58/407210658.db2.gz DQPCGKBCYNGJOJ-HZPDHXFCSA-N 2 0 323.506 1.344 50 0 DDAARP Cc1cc(C)nc(N2CCC([N@@H+]3C[C@@H]4CCC[NH2+][C@@H]4C3)CC2)n1 ZINC000095512338 407214694 /nfs/dbraw/zinc/21/46/94/407214694.db2.gz QODMRSASIGMTNF-DOTOQJQBSA-N 2 0 315.465 1.746 50 0 DDAARP CCC[NH+]1CCC(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)CC1 ZINC000067769543 407283711 /nfs/dbraw/zinc/28/37/11/407283711.db2.gz ZERRHWADCYVPDU-AWEZNQCLSA-N 2 0 308.426 1.265 50 0 DDAARP C(CN1CC[C@H]([NH+]2CCCC2)C1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000071920924 275393356 /nfs/dbraw/zinc/39/33/56/275393356.db2.gz SHWMAVWMEVCAHV-OALUTQOASA-N 2 0 320.525 1.717 50 0 DDAARP O=C(NCCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000170070834 490680705 /nfs/dbraw/zinc/68/07/05/490680705.db2.gz VBJLJGVTOPPSFI-INIZCTEOSA-N 2 0 302.422 1.556 50 0 DDAARP COc1cc(C[NH+](C)C)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015075323 696056973 /nfs/dbraw/zinc/05/69/73/696056973.db2.gz ZBICBUIYMIRSSU-OAHLLOKOSA-N 2 0 310.438 1.837 50 0 DDAARP C[N@H+](C[C@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000328167873 698745630 /nfs/dbraw/zinc/74/56/30/698745630.db2.gz JHMKVBLQGZCYBU-NJAFHUGGSA-N 2 0 303.450 1.116 50 0 DDAARP C[NH+](C)C1(CNc2ncnc3c2CC[NH2+]CC3)CCCCC1 ZINC000072440537 191167792 /nfs/dbraw/zinc/16/77/92/191167792.db2.gz ROZSJQJCXFCBPW-UHFFFAOYSA-N 2 0 303.454 1.841 50 0 DDAARP CN1C[C@@]2(CCC[N@H+](Cc3cccc(CC[NH3+])c3)C2)OC1=O ZINC000072453992 191170794 /nfs/dbraw/zinc/17/07/94/191170794.db2.gz IULXZPQOZJAGIP-QGZVFWFLSA-N 2 0 303.406 1.604 50 0 DDAARP CSCC[C@H]([NH3+])C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000091563064 193073464 /nfs/dbraw/zinc/07/34/64/193073464.db2.gz QJDIHFFGNZUFOQ-HNNXBMFYSA-N 2 0 322.478 1.509 50 0 DDAARP NC(=[NH2+])NC(=[NH2+])Nc1ccc(I)cc1 ZINC000020286649 182203488 /nfs/dbraw/zinc/20/34/88/182203488.db2.gz DDQOEORSEUOJBV-UHFFFAOYSA-N 2 0 303.107 1.121 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(F)(F)F ZINC000065516607 285275737 /nfs/dbraw/zinc/27/57/37/285275737.db2.gz UMQUFFNVRGCQJA-LBPRGKRZSA-N 2 0 309.376 1.813 50 0 DDAARP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000069464820 406717692 /nfs/dbraw/zinc/71/76/92/406717692.db2.gz CIVVDJLPHPVMGK-ZACQAIPSSA-N 2 0 308.470 1.823 50 0 DDAARP COc1ccc(C[NH2+]CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000071852308 406852645 /nfs/dbraw/zinc/85/26/45/406852645.db2.gz GYBNZOGVWZZOGM-UHFFFAOYSA-N 2 0 305.422 1.372 50 0 DDAARP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](C)CC1 ZINC000071883681 406860743 /nfs/dbraw/zinc/86/07/43/406860743.db2.gz MMLRJKYIPKTAHF-QGZVFWFLSA-N 2 0 303.450 1.617 50 0 DDAARP O=C(CN1CCCC[C@@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000072170598 406874950 /nfs/dbraw/zinc/87/49/50/406874950.db2.gz GVFGCFCTPLIJTE-MRXNPFEDSA-N 2 0 305.397 1.785 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1OCC[NH+](C)C ZINC000215692116 407487908 /nfs/dbraw/zinc/48/79/08/407487908.db2.gz WWMGKMQJSGFNHU-GOSISDBHSA-N 2 0 322.449 1.982 50 0 DDAARP NC(=O)CCC[C@H]1[NH2+]C[C@@H]2C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000257196117 407490537 /nfs/dbraw/zinc/49/05/37/407490537.db2.gz XQCFKJPDCUHVDZ-YESZJQIVSA-N 2 0 301.434 1.752 50 0 DDAARP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000253416027 407443433 /nfs/dbraw/zinc/44/34/33/407443433.db2.gz MIRFHXCSFHZCFK-ZFWWWQNUSA-N 2 0 311.451 1.154 50 0 DDAARP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC000242346833 407915669 /nfs/dbraw/zinc/91/56/69/407915669.db2.gz ZJNGIMLUMAQTFB-QEOTZNIISA-N 2 0 323.481 1.523 50 0 DDAARP CN1CCC[N@H+](Cc2cc(C3CC3)on2)CC12CC[NH2+]CC2 ZINC000534587708 334292821 /nfs/dbraw/zinc/29/28/21/334292821.db2.gz IQDARNMXPRZGQH-UHFFFAOYSA-N 2 0 304.438 1.812 50 0 DDAARP COCC[N@@H+]1CC[C@H](C[NH+](C)C2CSCCSC2)C1 ZINC000670454625 484841055 /nfs/dbraw/zinc/84/10/55/484841055.db2.gz KQOUBYQYKMKFIT-CYBMUJFWSA-N 2 0 304.525 1.735 50 0 DDAARP C[C@H](CCC(=O)NC(C)(C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000670467147 484846996 /nfs/dbraw/zinc/84/69/96/484846996.db2.gz LABCKZIRVHNUCR-MRXNPFEDSA-N 2 0 324.513 1.393 50 0 DDAARP C[C@@H]1CC[C@@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC000252486326 354383425 /nfs/dbraw/zinc/38/34/25/354383425.db2.gz ILXKADWHYPCQNI-XLILKLNXSA-N 2 0 310.482 1.728 50 0 DDAARP C[C@H]1C[C@H](NCc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140769 354813909 /nfs/dbraw/zinc/81/39/09/354813909.db2.gz JJPDEBISQMYMRD-QWHCGFSZSA-N 2 0 322.453 1.948 50 0 DDAARP Cc1ccccc1C[NH+]1CCC(N2CC[NH+](CCO)CC2)CC1 ZINC000019868425 182158358 /nfs/dbraw/zinc/15/83/58/182158358.db2.gz YYAUZFWEWWAQDK-UHFFFAOYSA-N 2 0 317.477 1.569 50 0 DDAARP COCCC[N@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023506190 182362453 /nfs/dbraw/zinc/36/24/53/182362453.db2.gz BXUTXQWOLSPBAI-SJORKVTESA-N 2 0 304.434 1.692 50 0 DDAARP C[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000065439633 184345454 /nfs/dbraw/zinc/34/54/54/184345454.db2.gz OZDOMNHJMDEGJC-HNNXBMFYSA-N 2 0 320.437 1.764 50 0 DDAARP C[C@H]1[NH2+]CCCN(CCO)CCC[NH2+][C@H](C)c2cccc1n2 ZINC000068605066 406656774 /nfs/dbraw/zinc/65/67/74/406656774.db2.gz FUCMCCJMAABLHS-HUUCEWRRSA-N 2 0 306.454 1.471 50 0 DDAARP CC(C)([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000072420297 406881379 /nfs/dbraw/zinc/88/13/79/406881379.db2.gz OJWNNUOFMBIEDU-OAHLLOKOSA-N 2 0 301.434 1.472 50 0 DDAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)n1 ZINC000095355008 407208423 /nfs/dbraw/zinc/20/84/23/407208423.db2.gz XKVKTBCOPNVHFD-AWEZNQCLSA-N 2 0 305.426 1.252 50 0 DDAARP [NH3+]CCC[NH2+]C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000063833813 407235481 /nfs/dbraw/zinc/23/54/81/407235481.db2.gz DNDFZUQJMUBVCM-UHFFFAOYSA-N 2 0 316.449 1.721 50 0 DDAARP C[NH2+][C@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000133328524 407827980 /nfs/dbraw/zinc/82/79/80/407827980.db2.gz UBECRBYKPUVOSE-AWEZNQCLSA-N 2 0 305.422 1.451 50 0 DDAARP Cn1cncc1CCC(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000242284649 407916206 /nfs/dbraw/zinc/91/62/06/407916206.db2.gz YINLLIUNQHMXNG-SJORKVTESA-N 2 0 312.417 1.567 50 0 DDAARP [NH3+]CCc1ccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299775812 410622471 /nfs/dbraw/zinc/62/24/71/410622471.db2.gz KTCQAAYSLIWETM-DLBZAZTESA-N 2 0 313.405 1.125 50 0 DDAARP O=C1CC[C@@H]([NH+]2CCC3(CC2)C[NH2+]CCO3)CCN1CC1CC1 ZINC000426705900 419536192 /nfs/dbraw/zinc/53/61/92/419536192.db2.gz VCKMTXURTSIVMT-MRXNPFEDSA-N 2 0 321.465 1.232 50 0 DDAARP C[NH+](C)CC1(CNC(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000096502967 289092264 /nfs/dbraw/zinc/09/22/64/289092264.db2.gz DNUKBEMFYGJNAG-GJZGRUSLSA-N 2 0 310.486 1.890 50 0 DDAARP Cc1ncc2c(c1CNC(=O)[C@@H]1CC13CC[NH2+]CC3)CC[NH2+]C2 ZINC000072478022 293609419 /nfs/dbraw/zinc/60/94/19/293609419.db2.gz SDKLIFTUWBZFHG-INIZCTEOSA-N 2 0 314.433 1.042 50 0 DDAARP O=C(C[NH+]1CCCC1)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000827939761 759425097 /nfs/dbraw/zinc/42/50/97/759425097.db2.gz BQFFHZQPCTWMMX-MRXNPFEDSA-N 2 0 309.454 1.186 50 0 DDAARP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237609206 290631311 /nfs/dbraw/zinc/63/13/11/290631311.db2.gz NZQXUJKFBKEWIH-GJZGRUSLSA-N 2 0 310.486 1.131 50 0 DDAARP CN(CCc1ccccc1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072434204 191166482 /nfs/dbraw/zinc/16/64/82/191166482.db2.gz YDOWFBYXWTVMSJ-KRWDZBQOSA-N 2 0 315.461 1.761 50 0 DDAARP Cc1ccc2[nH]c(CCC[NH2+]C[C@@]3(O)CCC[NH2+]C3)nc2c1C ZINC000072478049 191180123 /nfs/dbraw/zinc/18/01/23/191180123.db2.gz JQOPLHYGRKBDNY-SFHVURJKSA-N 2 0 316.449 1.816 50 0 DDAARP CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000195554268 354297043 /nfs/dbraw/zinc/29/70/43/354297043.db2.gz ODHVPDSZISEVSY-JKSUJKDBSA-N 2 0 310.486 1.132 50 0 DDAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000584904129 354802453 /nfs/dbraw/zinc/80/24/53/354802453.db2.gz WJCRZNNEOJYGFK-OAHLLOKOSA-N 2 0 301.434 1.980 50 0 DDAARP CSc1ccc2c(c1)CCN(C(=O)C13C[NH2+]CC1C[NH2+]C3)C2 ZINC000096164437 407242531 /nfs/dbraw/zinc/24/25/31/407242531.db2.gz MBBQNKZDDFFJFK-UHFFFAOYSA-N 2 0 317.458 1.102 50 0 DDAARP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000102537703 407323908 /nfs/dbraw/zinc/32/39/08/407323908.db2.gz VJPVVQFXDJXUNP-QGZVFWFLSA-N 2 0 319.449 1.325 50 0 DDAARP Cc1nn(CC[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(C)c1Cl ZINC000067934296 407291218 /nfs/dbraw/zinc/29/12/18/407291218.db2.gz WLFZVHDMIJXHFK-LBPRGKRZSA-N 2 0 313.877 1.379 50 0 DDAARP OCC[NH+]1CCN(C2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000216306136 407495637 /nfs/dbraw/zinc/49/56/37/407495637.db2.gz VHPBZNRPIXOISX-UHFFFAOYSA-N 2 0 309.479 1.322 50 0 DDAARP CN1CCC[N@H+](C[C@@H](O)c2ccccc2)CC12CC[NH2+]CC2 ZINC000534576243 334287855 /nfs/dbraw/zinc/28/78/55/334287855.db2.gz VGVJKDNMGFNHNH-QGZVFWFLSA-N 2 0 303.450 1.480 50 0 DDAARP O=C(NC[C@H]1CC[N@@H+]1C1CC1)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000888100207 709213596 /nfs/dbraw/zinc/21/35/96/709213596.db2.gz XAKBRFQJLDFSEA-DLBZAZTESA-N 2 0 320.481 1.929 50 0 DDAARP CN1CCO[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000675011141 737515502 /nfs/dbraw/zinc/51/55/02/737515502.db2.gz PQFRKVCSDINEGX-DLBZAZTESA-N 2 0 317.433 1.270 50 0 DDAARP C[NH+]1CCC(OCCCNC(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000952869498 775601673 /nfs/dbraw/zinc/60/16/73/775601673.db2.gz MJBGVFKMQQEQLI-INIZCTEOSA-N 2 0 311.470 1.478 50 0 DDAARP C[C@H]1C[C@@H](NCc2c(C(=O)OC(C)(C)C)cnn2C)CC[N@@H+]1C ZINC000585140770 354813787 /nfs/dbraw/zinc/81/37/87/354813787.db2.gz JJPDEBISQMYMRD-STQMWFEESA-N 2 0 322.453 1.948 50 0 DDAARP C[NH2+]CC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000237242196 202201001 /nfs/dbraw/zinc/20/10/01/202201001.db2.gz IPVMDVQTEGURFK-OKILXGFUSA-N 2 0 305.422 1.131 50 0 DDAARP Cc1cc(C)c(C[NH+]2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c(C)c1 ZINC000091644313 193084019 /nfs/dbraw/zinc/08/40/19/193084019.db2.gz QYDFGIHSTWDZAZ-QZTJIDSGSA-N 2 0 320.477 1.576 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000106842802 407362628 /nfs/dbraw/zinc/36/26/28/407362628.db2.gz REARDKSSSHKOOP-KBXCAEBGSA-N 2 0 324.440 1.884 50 0 DDAARP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@H]2CC[NH2+]C2)s1 ZINC000215435487 407485105 /nfs/dbraw/zinc/48/51/05/407485105.db2.gz NNUFYNKEQRDSGK-CQSZACIVSA-N 2 0 309.479 1.946 50 0 DDAARP CCOCC[N@@H+]1CCC=C(CN2CCC[C@@H](NC(C)=O)C2)C1 ZINC000216359728 407495299 /nfs/dbraw/zinc/49/52/99/407495299.db2.gz LFYDOARVBQYEAJ-QGZVFWFLSA-N 2 0 309.454 1.256 50 0 DDAARP COc1ccc(C(=O)N(C)CC[NH+]2CCCC2)c(OCC[NH3+])c1 ZINC000426434429 419469342 /nfs/dbraw/zinc/46/93/42/419469342.db2.gz HRHRNXUKHDRFRR-UHFFFAOYSA-N 2 0 321.421 1.201 50 0 DDAARP COc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1OCC[NH+](C)C ZINC000215772882 295297282 /nfs/dbraw/zinc/29/72/82/295297282.db2.gz SPXWQGJXFYLOKO-OAHLLOKOSA-N 2 0 322.449 1.840 50 0 DDAARP O=C(NC1CC[NH+](C2CCSCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000534577654 334288450 /nfs/dbraw/zinc/28/84/50/334288450.db2.gz RGKGDXKYQVRXKV-CYBMUJFWSA-N 2 0 311.495 1.462 50 0 DDAARP CN(C)c1nc2c(c(NCC[C@H]3CCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000072169719 191068813 /nfs/dbraw/zinc/06/88/13/191068813.db2.gz VKZFVSOURFUIPQ-GFCCVEGCSA-N 2 0 304.442 1.085 50 0 DDAARP [NH3+]C1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1 ZINC000067967585 283415508 /nfs/dbraw/zinc/41/55/08/283415508.db2.gz YBBXJYWTGVJJIX-UHFFFAOYSA-N 2 0 309.417 1.717 50 0 DDAARP C[C@@H]1CCC[C@@H]([NH+]2CCC(N3CC[NH+](CCO)CC3)CC2)C1 ZINC000019359209 182118174 /nfs/dbraw/zinc/11/81/74/182118174.db2.gz MYJDDEWXFJRWBN-SJLPKXTDSA-N 2 0 309.498 1.639 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1 ZINC000069444481 285281308 /nfs/dbraw/zinc/28/13/08/285281308.db2.gz XWYWTKJGPQAPHB-INIZCTEOSA-N 2 0 304.438 1.570 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000069899240 406788886 /nfs/dbraw/zinc/78/88/86/406788886.db2.gz SWJUZHPCBHHHEO-INIZCTEOSA-N 2 0 314.376 1.292 50 0 DDAARP c1cncc(-c2nc3c(c(NCC[C@H]4CCC[NH2+]4)n2)C[NH2+]C3)c1 ZINC000072128212 406873569 /nfs/dbraw/zinc/87/35/69/406873569.db2.gz UJZPBVBESFKURS-CYBMUJFWSA-N 2 0 310.405 1.696 50 0 DDAARP Cc1cnc(N2CCC[N@@H+](C)CC2)nc1N1CCC[NH+](C)CC1 ZINC000084258623 407086066 /nfs/dbraw/zinc/08/60/66/407086066.db2.gz NBFQIGARMZJZEI-UHFFFAOYSA-N 2 0 318.469 1.069 50 0 DDAARP C[C@@H]1C[N@@H+](CCC(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000067435220 407274248 /nfs/dbraw/zinc/27/42/48/407274248.db2.gz TTXOQKFUZLLLBO-XHSDSOJGSA-N 2 0 311.470 1.334 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000071847530 276361736 /nfs/dbraw/zinc/36/17/36/276361736.db2.gz SEDQPAPZLZDOFK-MRXNPFEDSA-N 2 0 311.470 1.478 50 0 DDAARP C[NH+](C)CCCC(C)(C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000585121394 771953154 /nfs/dbraw/zinc/95/31/54/771953154.db2.gz ODNUZDWGIWLFCQ-UHFFFAOYSA-N 2 0 311.470 1.334 50 0 DDAARP O=C(NC[C@]1(O)CCC[NH2+]C1)C1([NH+]2CCCC2)CCCCC1 ZINC000952862250 775590867 /nfs/dbraw/zinc/59/08/67/775590867.db2.gz NTLCLASBCAFZEW-INIZCTEOSA-N 2 0 309.454 1.016 50 0 DDAARP C[C@@H]1[NH2+]CCCN(CCO)CCC[NH2+][C@@H](C)c2cccc1n2 ZINC000068605062 406656579 /nfs/dbraw/zinc/65/65/79/406656579.db2.gz FUCMCCJMAABLHS-GJZGRUSLSA-N 2 0 306.454 1.471 50 0 DDAARP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000069414621 406705011 /nfs/dbraw/zinc/70/50/11/406705011.db2.gz GPSMRQIDNXVCMX-UHFFFAOYSA-N 2 0 300.834 1.176 50 0 DDAARP CCc1[nH+]c(N)nc(N2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000095363888 407208970 /nfs/dbraw/zinc/20/89/70/407208970.db2.gz QLWCBTWIBKDGMQ-UHFFFAOYSA-N 2 0 318.469 1.147 50 0 DDAARP OC[C@@H]1CCCN(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067773003 407284179 /nfs/dbraw/zinc/28/41/79/407284179.db2.gz PKBJKCIXVMZOPP-MRXNPFEDSA-N 2 0 309.498 1.593 50 0 DDAARP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000247024948 279626781 /nfs/dbraw/zinc/62/67/81/279626781.db2.gz RPEYLIGAEINUBE-BMFZPTHFSA-N 2 0 309.454 1.264 50 0 DDAARP c1ccc(-c2nc3c(c(N4C[C@H]5CC[C@@H](C4)[NH2+]5)n2)CC[NH2+]C3)cc1 ZINC000067641291 280477135 /nfs/dbraw/zinc/47/71/35/280477135.db2.gz XINJUBVWMIISGX-GASCZTMLSA-N 2 0 321.428 1.730 50 0 DDAARP Cc1nn(CCO)cc1C[NH+]1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072469734 191176245 /nfs/dbraw/zinc/17/62/45/191176245.db2.gz IGTPURTXRKGYGA-INIZCTEOSA-N 2 0 320.481 1.880 50 0 DDAARP Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN(C)CC[NH+](C)C)C2)cc1 ZINC000091678028 193090371 /nfs/dbraw/zinc/09/03/71/193090371.db2.gz XCMIWIASMCIRRR-RTBURBONSA-N 2 0 319.493 1.529 50 0 DDAARP Cc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069349941 406700558 /nfs/dbraw/zinc/70/05/58/406700558.db2.gz YBJVKTNPDXLAJM-NSHDSACASA-N 2 0 314.861 1.564 50 0 DDAARP CC(C)(C)NC(=O)CC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000069580690 406737907 /nfs/dbraw/zinc/73/79/07/406737907.db2.gz FCZBOHYBWPCOEE-UHFFFAOYSA-N 2 0 310.486 1.005 50 0 DDAARP C[NH+](C)CCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006936234 406745805 /nfs/dbraw/zinc/74/58/05/406745805.db2.gz DBAGOYSKCLDZMW-SJLPKXTDSA-N 2 0 306.450 1.983 50 0 DDAARP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067965004 407291998 /nfs/dbraw/zinc/29/19/98/407291998.db2.gz JAKCLJCFABNQHF-UHFFFAOYSA-N 2 0 323.462 1.170 50 0 DDAARP COc1cccc(CN2CCC[C@H]([NH3+])CC2)c1OCC[NH+](C)C ZINC000097713606 295296997 /nfs/dbraw/zinc/29/69/97/295296997.db2.gz GQZLASQZCNQSMG-INIZCTEOSA-N 2 0 321.465 1.949 50 0 DDAARP O=C(C1CC[NH2+]CC1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000534576743 334287910 /nfs/dbraw/zinc/28/79/10/334287910.db2.gz LUVQXNPIJJOZTJ-INIZCTEOSA-N 2 0 309.454 1.089 50 0 DDAARP C[C@@H](CCn1cccn1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000670439091 484830500 /nfs/dbraw/zinc/83/05/00/484830500.db2.gz NWUSMTABHJRNJU-INIZCTEOSA-N 2 0 306.454 1.706 50 0 DDAARP C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000952962152 721528190 /nfs/dbraw/zinc/52/81/90/721528190.db2.gz BYWCYCLXUIJQAE-INIZCTEOSA-N 2 0 323.481 1.310 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CCOC)CC1 ZINC000824412299 759178673 /nfs/dbraw/zinc/17/86/73/759178673.db2.gz BEGMVDGUMQITNF-MRXNPFEDSA-N 2 0 311.470 1.335 50 0 DDAARP C[NH+](C)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095523391 185377805 /nfs/dbraw/zinc/37/78/05/185377805.db2.gz IGMHHWXMSVPWQK-HNNXBMFYSA-N 2 0 310.463 1.537 50 0 DDAARP CN(Cc1ccccc1C[NH+]1CCCC1)C[C@]1(O)CCC[NH2+]C1 ZINC000072475098 191177201 /nfs/dbraw/zinc/17/72/01/191177201.db2.gz REEYNNMGZLGACR-IBGZPJMESA-N 2 0 317.477 1.829 50 0 DDAARP COc1c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)nn1C ZINC000058304932 184103164 /nfs/dbraw/zinc/10/31/64/184103164.db2.gz IBBBHZNFDAARRI-INIZCTEOSA-N 2 0 323.485 1.099 50 0 DDAARP CC(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000119604977 195000264 /nfs/dbraw/zinc/00/02/64/195000264.db2.gz ZSFRRKZHEZIXGS-FGTMMUONSA-N 2 0 301.434 1.623 50 0 DDAARP COc1cccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c1OC ZINC000069329689 406698372 /nfs/dbraw/zinc/69/83/72/406698372.db2.gz KMHDUVMQCVEWFY-CQSZACIVSA-N 2 0 322.449 1.886 50 0 DDAARP CCN1CCC([N@@H+]2CCC[C@H](Cn3cc(COC)nn3)C2)CC1 ZINC000257193409 407488468 /nfs/dbraw/zinc/48/84/68/407488468.db2.gz ROQXTKLIWPKCAU-HNNXBMFYSA-N 2 0 321.469 1.621 50 0 DDAARP CCOCC1(CNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N)n2)CCC1 ZINC000252539220 408804712 /nfs/dbraw/zinc/80/47/12/408804712.db2.gz NWVJNRGZAAGXLQ-TXEJJXNPSA-N 2 0 305.426 1.882 50 0 DDAARP CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000299792513 410631863 /nfs/dbraw/zinc/63/18/63/410631863.db2.gz FXGAHBZOYUBYMF-NSHDSACASA-N 2 0 323.828 1.631 50 0 DDAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000107350976 418498474 /nfs/dbraw/zinc/49/84/74/418498474.db2.gz JRSVKBWTWALCJO-GJZGRUSLSA-N 2 0 323.437 1.235 50 0 DDAARP Cc1cc(CC(C)C)nc(N2CC[C@@H]([NH2+]C3CC[NH2+]CC3)C2)n1 ZINC000426434875 419467288 /nfs/dbraw/zinc/46/72/88/419467288.db2.gz QSXLZQJMAYAIGT-MRXNPFEDSA-N 2 0 317.481 1.904 50 0 DDAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)CC1 ZINC000328597953 529040980 /nfs/dbraw/zinc/04/09/80/529040980.db2.gz JOXLVDUGFAZZSU-LJQANCHMSA-N 3 0 322.541 1.820 50 0 DDAARP Cc1c[nH+]ccc1N1CCCN(c2cc(C[NH3+])nc(C)n2)CC1 ZINC000067817646 696364397 /nfs/dbraw/zinc/36/43/97/696364397.db2.gz PMNVHRPUFIVPLF-UHFFFAOYSA-N 2 0 312.421 1.664 50 0 DDAARP Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000821740550 758170442 /nfs/dbraw/zinc/17/04/42/758170442.db2.gz RUXZVSXHLKZBKO-QGZVFWFLSA-N 2 0 320.481 1.811 50 0 DDAARP CC(C)[C@@H]1CN(C(=O)C[NH3+])CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752277 191023027 /nfs/dbraw/zinc/02/30/27/191023027.db2.gz DMVYCSKUDMHTQS-INIZCTEOSA-N 2 0 307.413 1.843 50 0 DDAARP CN(Cc1ccc2c(c1)C[N@@H+](C)C2)c1ncnc2c1CC[NH2+]CC2 ZINC000072436710 191165833 /nfs/dbraw/zinc/16/58/33/191165833.db2.gz HNULOXOSMBMBPK-UHFFFAOYSA-N 2 0 323.444 1.747 50 0 DDAARP C[N@H+](C[C@H](O)c1ccc(F)cc1)CC1CC[NH+](CCO)CC1 ZINC000069950520 406794662 /nfs/dbraw/zinc/79/46/62/406794662.db2.gz LCNBISBKUNEZNM-KRWDZBQOSA-N 2 0 310.413 1.495 50 0 DDAARP Cc1cccc(N2CC[NH+](CCCNC3=[NH+]CCCN3)CC2)c1 ZINC000058307627 407220148 /nfs/dbraw/zinc/22/01/48/407220148.db2.gz VKKBFNMFCBTNHQ-UHFFFAOYSA-N 2 0 315.465 1.446 50 0 DDAARP [NH3+]C[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCO1 ZINC000067833908 407286249 /nfs/dbraw/zinc/28/62/49/407286249.db2.gz RDYAILWQJUMTJT-CQSZACIVSA-N 2 0 309.479 1.894 50 0 DDAARP Cc1cnc(CC[C@H]2CCCN2C(=O)CCn2ccnc2)n1C ZINC000257175801 407481460 /nfs/dbraw/zinc/48/14/60/407481460.db2.gz QWCYWRDBCGRLIR-OAHLLOKOSA-N 2 0 315.421 1.939 50 0 DDAARP CC[N@@H+]1CCC[C@H]1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426500025 419492090 /nfs/dbraw/zinc/49/20/90/419492090.db2.gz BMGDEZPRLXFWLH-ZDUSSCGKSA-N 2 0 309.483 1.859 50 0 DDAARP NC(=O)C1CC[NH+](CCC[NH2+]C2CSCCSC2)CC1 ZINC000534661142 334321665 /nfs/dbraw/zinc/32/16/65/334321665.db2.gz ORTGHKKDVFXBJD-UHFFFAOYSA-N 2 0 317.524 1.012 50 0 DDAARP Cc1cc[nH+]c(NCCNc2nc(C)nc3c2CC[NH2+]CC3)c1 ZINC000065460285 696345131 /nfs/dbraw/zinc/34/51/31/696345131.db2.gz FOOLGLJILQRECV-UHFFFAOYSA-N 2 0 312.421 1.701 50 0 DDAARP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(C)nn1C)CC2 ZINC000169790007 697346355 /nfs/dbraw/zinc/34/63/55/697346355.db2.gz WVEWBIUHPHWHKJ-OAHLLOKOSA-N 2 0 306.454 1.519 50 0 DDAARP NC(=O)c1ccc(OCCC[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000826848848 759312994 /nfs/dbraw/zinc/31/29/94/759312994.db2.gz QOZDJXUBZWWLOR-WNKDZCFJSA-N 2 0 315.417 1.237 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000069897187 406788342 /nfs/dbraw/zinc/78/83/42/406788342.db2.gz LNJZLIXCNFUCKY-CQSZACIVSA-N 2 0 319.449 1.310 50 0 DDAARP CC(C)C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020997088 406889016 /nfs/dbraw/zinc/88/90/16/406889016.db2.gz QYBDHKXICKUGBH-SFHVURJKSA-N 2 0 311.514 1.884 50 0 DDAARP COCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000081292281 407075436 /nfs/dbraw/zinc/07/54/36/407075436.db2.gz ZHWSCLNWSFMQDM-INIZCTEOSA-N 2 0 311.470 1.432 50 0 DDAARP Cc1cc(C)nc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000095518696 407213908 /nfs/dbraw/zinc/21/39/08/407213908.db2.gz MDVXJKLAIOQUBP-GASCZTMLSA-N 2 0 301.438 1.213 50 0 DDAARP CCc1nccn1CCC[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063833184 407235547 /nfs/dbraw/zinc/23/55/47/407235547.db2.gz QCHMACNJCSOGNC-SJLPKXTDSA-N 2 0 320.481 1.805 50 0 DDAARP CCc1oc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1C[NH+]1CCCC1 ZINC000097717244 407301651 /nfs/dbraw/zinc/30/16/51/407301651.db2.gz KEMKNXVQCJALEM-CQSZACIVSA-N 2 0 321.421 1.156 50 0 DDAARP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+]([C@@H]1CCC(=O)N(Cc3ccccc3)C1)C2 ZINC000426435270 419467181 /nfs/dbraw/zinc/46/71/81/419467181.db2.gz CREWDERVMNGRIS-NTDBWNAOSA-N 2 0 313.445 1.847 50 0 DDAARP CC[NH+]1CCC2(CCC[N@@H+]([C@@H](C)CS(C)(=O)=O)C2)CC1 ZINC000670466634 484846563 /nfs/dbraw/zinc/84/65/63/484846563.db2.gz JYRQCCMBRYRCIQ-AWEZNQCLSA-N 2 0 302.484 1.617 50 0 DDAARP CC[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)[N@H+](C)CC ZINC000822544827 758221513 /nfs/dbraw/zinc/22/15/13/758221513.db2.gz GOLCKMPKPHSHCT-HNNXBMFYSA-N 2 0 313.511 1.757 50 0 DDAARP C[C@H](O)[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000585116644 771949556 /nfs/dbraw/zinc/94/95/56/771949556.db2.gz DHYNKJNLSLQHGZ-CWLKWCNXSA-N 2 0 306.450 1.713 50 0 DDAARP CN(C(=O)C1([NH3+])CC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072433480 191164383 /nfs/dbraw/zinc/16/43/83/191164383.db2.gz JPICYFOTHWNHMB-MRXNPFEDSA-N 2 0 301.434 1.643 50 0 DDAARP CN1CCC([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000120637264 354013290 /nfs/dbraw/zinc/01/32/90/354013290.db2.gz XVUQFGODTKLGMK-IBGZPJMESA-N 2 0 317.477 1.827 50 0 DDAARP COCC[N@@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000584888849 354791214 /nfs/dbraw/zinc/79/12/14/354791214.db2.gz XTLFKWFVOMIWGH-HNNXBMFYSA-N 2 0 311.470 1.335 50 0 DDAARP CC(C)[NH+]1CCC(N2CC[N@H+](C)[C@]3(C2)CCNC(=O)CC3)CC1 ZINC000091745308 193100091 /nfs/dbraw/zinc/10/00/91/193100091.db2.gz OFTQJEVTFQGWHL-SFHVURJKSA-N 2 0 322.497 1.146 50 0 DDAARP COCC[NH2+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000263271112 285074118 /nfs/dbraw/zinc/07/41/18/285074118.db2.gz OZWGNPNIAFUYNH-CVEARBPZSA-N 2 0 311.470 1.335 50 0 DDAARP C[C@H](C[N@H+](C)Cc1cc(C[NH+](C)C)cs1)N1CCOCC1 ZINC000222837974 407560309 /nfs/dbraw/zinc/56/03/09/407560309.db2.gz AQUOJOLJSGUBOJ-CQSZACIVSA-N 2 0 311.495 1.962 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000069370369 406703784 /nfs/dbraw/zinc/70/37/84/406703784.db2.gz AXDUDCRTQBQGJX-UHFFFAOYSA-N 2 0 315.421 1.061 50 0 DDAARP Cc1cc(N(C)C)nc(NCC2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000072276359 406877598 /nfs/dbraw/zinc/87/75/98/406877598.db2.gz OGDOWBCALLNTBF-CYBMUJFWSA-N 2 0 307.442 1.356 50 0 DDAARP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065610040 407245391 /nfs/dbraw/zinc/24/53/91/407245391.db2.gz XMDUQYUZWNVHBN-ZNMIVQPWSA-N 2 0 323.481 1.475 50 0 DDAARP CC(=O)N[C@@H]1C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C[C@H]1c1ccc(C)cc1 ZINC000102072253 407319610 /nfs/dbraw/zinc/31/96/10/407319610.db2.gz RFERODZZJQUYOA-ZWJWXYIHSA-N 2 0 313.445 1.364 50 0 DDAARP Cc1cc(=O)[nH]c(NCC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067714313 407281728 /nfs/dbraw/zinc/28/17/28/407281728.db2.gz VUYVTFYWHBUYBW-UHFFFAOYSA-N 2 0 319.453 1.392 50 0 DDAARP COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000127587542 407442947 /nfs/dbraw/zinc/44/29/47/407442947.db2.gz ZVCKFULLBVSRCW-GUDVDZBRSA-N 2 0 318.461 1.980 50 0 DDAARP COc1ccc(CN2CCC[N@H+](C)CC2)cc1OCCC[NH3+] ZINC000299778666 410622443 /nfs/dbraw/zinc/62/24/43/410622443.db2.gz PJYNKEFBHJJWCO-UHFFFAOYSA-N 2 0 307.438 1.560 50 0 DDAARP C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2Cc3ccccc3C2)C1 ZINC000067847641 277162381 /nfs/dbraw/zinc/16/23/81/277162381.db2.gz GQTYUOXJGHLKIC-OAHLLOKOSA-N 2 0 301.434 1.850 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534658885 334314913 /nfs/dbraw/zinc/31/49/13/334314913.db2.gz AGFAOFZITHNIPW-MRXNPFEDSA-N 2 0 316.449 1.763 50 0 DDAARP CCOc1ccccc1C[N@@H+]1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782180 697345377 /nfs/dbraw/zinc/34/53/77/697345377.db2.gz ARUIKMLDNCYLCM-MRXNPFEDSA-N 2 0 304.434 1.879 50 0 DDAARP C[C@H]1C[C@H](NCc2cnc(Br)n2C)CC[N@@H+]1C ZINC000585118701 771951946 /nfs/dbraw/zinc/95/19/46/771951946.db2.gz YXQUMXGKJFQMGI-VHSXEESVSA-N 2 0 301.232 1.755 50 0 DDAARP C[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072152536 191057943 /nfs/dbraw/zinc/05/79/43/191057943.db2.gz JGEHKDGYIRAMOH-QGZVFWFLSA-N 2 0 316.449 1.019 50 0 DDAARP CCc1nccn1C[C@@H](C)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC000584901778 354800777 /nfs/dbraw/zinc/80/07/77/354800777.db2.gz NCIVJDYLVPQCQB-OAHLLOKOSA-N 2 0 307.486 1.450 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530382 201398740 /nfs/dbraw/zinc/39/87/40/201398740.db2.gz WKZBOISOMNVTJA-HZPDHXFCSA-N 2 0 311.470 1.070 50 0 DDAARP CCc1cc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nc(N2CCCC2)[nH+]1 ZINC000091381918 193048908 /nfs/dbraw/zinc/04/89/08/193048908.db2.gz OHJGHLSMWPZBSL-CABCVRRESA-N 2 0 301.438 1.813 50 0 DDAARP OCCO[C@H]1CCOC[C@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000222768092 407562221 /nfs/dbraw/zinc/56/22/21/407562221.db2.gz XNFOTHPYEAUYBQ-CVEARBPZSA-N 2 0 312.454 1.055 50 0 DDAARP O=C(CN1CCCC[C@H]1c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000072170597 406875176 /nfs/dbraw/zinc/87/51/76/406875176.db2.gz GVFGCFCTPLIJTE-INIZCTEOSA-N 2 0 305.397 1.785 50 0 DDAARP CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(CC[NH+](C)C)C1=O ZINC000067695944 407280182 /nfs/dbraw/zinc/28/01/82/407280182.db2.gz BYIRTSWTQQREEF-KRWDZBQOSA-N 2 0 324.469 1.274 50 0 DDAARP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670435503 484827655 /nfs/dbraw/zinc/82/76/55/484827655.db2.gz DSDNGWBXSXKJJL-QGZVFWFLSA-N 2 0 303.450 1.654 50 0 DDAARP C[N@H+](Cc1cn(C2CC[NH2+]CC2)nn1)[C@@H]1CCOC(C)(C)C1 ZINC000082039589 192353124 /nfs/dbraw/zinc/35/31/24/192353124.db2.gz FLWHYRQITGSZKQ-OAHLLOKOSA-N 2 0 307.442 1.592 50 0 DDAARP C[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000237290766 202219076 /nfs/dbraw/zinc/21/90/76/202219076.db2.gz KLBSZRXXZVAEJC-HNNXBMFYSA-N 2 0 318.421 1.011 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000237517977 202269271 /nfs/dbraw/zinc/26/92/71/202269271.db2.gz DCYYERUCOWBPCE-KBMXLJTQSA-N 2 0 302.422 1.160 50 0 DDAARP Cc1nc(N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc(N)[nH+]1 ZINC000091707236 193095071 /nfs/dbraw/zinc/09/50/71/193095071.db2.gz AAXHOCLMXJYRAH-GFCCVEGCSA-N 2 0 305.426 1.304 50 0 DDAARP [NH3+]Cc1cn(C2CC[NH+](Cc3ccc4nonc4c3)CC2)nn1 ZINC000023399391 182360155 /nfs/dbraw/zinc/36/01/55/182360155.db2.gz FBCYLMRQKVPNRU-UHFFFAOYSA-N 2 0 313.365 1.110 50 0 DDAARP CCCC[NH+]1CCC(NC(=O)[C@H]2CN(C(C)C)CCO2)CC1 ZINC000253420265 407444119 /nfs/dbraw/zinc/44/41/19/407444119.db2.gz GNVGXIKBWNVJTA-MRXNPFEDSA-N 2 0 311.470 1.476 50 0 DDAARP CC1(C)CC(Nc2cc(C3CC([NH3+])C3)nc(N)n2)CC(C)(C)[NH2+]1 ZINC000223726471 407571785 /nfs/dbraw/zinc/57/17/85/407571785.db2.gz TZOHDMDFMWOWGT-UHFFFAOYSA-N 2 0 318.469 1.985 50 0 DDAARP C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000230118025 407681982 /nfs/dbraw/zinc/68/19/82/407681982.db2.gz RNCVPSNVHSEMGN-GDBMZVCRSA-N 2 0 321.490 1.843 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000237607275 407831906 /nfs/dbraw/zinc/83/19/06/407831906.db2.gz YJXVBIAGLJADIN-IXDOHACOSA-N 2 0 322.497 1.146 50 0 DDAARP CCc1c(C)[nH+]c(N)nc1N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000095365615 696602646 /nfs/dbraw/zinc/60/26/46/696602646.db2.gz XQJKSDRXRZNCQJ-UHFFFAOYSA-N 2 0 319.453 1.357 50 0 DDAARP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C(N)=O)c1 ZINC000952984739 721531878 /nfs/dbraw/zinc/53/18/78/721531878.db2.gz ZDNBSRGARMGFML-IAGOWNOFSA-N 2 0 317.433 1.537 50 0 DDAARP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CCOC)CC1 ZINC000824412298 759178893 /nfs/dbraw/zinc/17/88/93/759178893.db2.gz BEGMVDGUMQITNF-INIZCTEOSA-N 2 0 311.470 1.335 50 0 DDAARP [NH3+]CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072156022 191058592 /nfs/dbraw/zinc/05/85/92/191058592.db2.gz PHSTUBSVTAWKPF-KRWDZBQOSA-N 2 0 316.449 1.148 50 0 DDAARP Cc1cccc(C)c1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091725634 193098203 /nfs/dbraw/zinc/09/82/03/193098203.db2.gz LBZPMQNJYCXDIP-IAGOWNOFSA-N 2 0 306.450 1.268 50 0 DDAARP CN1CC[NH+](CC2(CNC(=O)[C@H]3CCCCC[N@@H+]3C)CC2)CC1 ZINC000952979643 721531403 /nfs/dbraw/zinc/53/14/03/721531403.db2.gz QTHYHFMTCHSBJC-MRXNPFEDSA-N 2 0 322.497 1.005 50 0 DDAARP C[NH+](C)CC1(O)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000952991263 721533468 /nfs/dbraw/zinc/53/34/68/721533468.db2.gz MKQNDOKSIPGNDY-UHFFFAOYSA-N 2 0 314.433 1.761 50 0 DDAARP C[NH+]1CCC(O)(C(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)CC1 ZINC000823759649 758349576 /nfs/dbraw/zinc/34/95/76/758349576.db2.gz ZUVLYHSUNMFDBY-AWEZNQCLSA-N 2 0 311.470 1.070 50 0 DDAARP COCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000824412341 759178335 /nfs/dbraw/zinc/17/83/35/759178335.db2.gz GQZUKZAFPSXNDV-OAHLLOKOSA-N 2 0 311.470 1.335 50 0 DDAARP C[C@](O)(C[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877177 775628488 /nfs/dbraw/zinc/62/84/88/775628488.db2.gz MFDWFMYNXQRVIC-BVBHFADKSA-N 2 0 318.461 1.573 50 0 DDAARP C[C@@H]1CC[C@H](CO)C[NH+]1C/C=C/C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443132 185366957 /nfs/dbraw/zinc/36/69/57/185366957.db2.gz ILXKADWHYPCQNI-VKKSWGCMSA-N 2 0 310.482 1.728 50 0 DDAARP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1-n1cncn1 ZINC000042229072 183244494 /nfs/dbraw/zinc/24/44/94/183244494.db2.gz FVQAURRZDFDWTP-CQSZACIVSA-N 2 0 315.396 1.980 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000237607238 257238483 /nfs/dbraw/zinc/23/84/83/257238483.db2.gz LWRBCUNUKIURBO-JZXOWHBKSA-N 2 0 322.497 1.003 50 0 DDAARP COc1ccc(C[NH2+]CC2CC[NH+](CCO)CC2)c(OC)c1 ZINC000069415295 406708702 /nfs/dbraw/zinc/70/87/02/406708702.db2.gz WXJFANLPHVTIIV-UHFFFAOYSA-N 2 0 308.422 1.498 50 0 DDAARP Cc1nn(C)c(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000030664137 406933127 /nfs/dbraw/zinc/93/31/27/406933127.db2.gz RXZRLTSHYCMSHO-UHFFFAOYSA-N 2 0 313.877 1.498 50 0 DDAARP CN(C(=O)c1oc2ccccc2c1C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000179093585 407721931 /nfs/dbraw/zinc/72/19/31/407721931.db2.gz SUMNCOFYMJRMLY-GFCCVEGCSA-N 2 0 301.390 1.928 50 0 DDAARP C[N@H+](CCn1cncn1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299776274 410621625 /nfs/dbraw/zinc/62/16/25/410621625.db2.gz MPDVQKGIGRYHKS-UHFFFAOYSA-N 2 0 315.421 1.541 50 0 DDAARP O=C(NC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1C=CC[NH2+]1 ZINC000299795720 410635897 /nfs/dbraw/zinc/63/58/97/410635897.db2.gz LBFBJGJJQQDIFJ-MRXNPFEDSA-N 2 0 303.381 1.434 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000585120859 422307448 /nfs/dbraw/zinc/30/74/48/422307448.db2.gz QSARNKZVFQFLLV-IRXDYDNUSA-N 2 0 317.433 1.592 50 0 DDAARP Clc1cccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662259349 424520276 /nfs/dbraw/zinc/52/02/76/424520276.db2.gz VIVHQKFPPJFAIO-MRXNPFEDSA-N 2 0 321.852 1.983 50 0 DDAARP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000242389681 279034452 /nfs/dbraw/zinc/03/44/52/279034452.db2.gz ZZNOGZMAMCUGBT-ZACQAIPSSA-N 2 0 324.513 1.948 50 0 DDAARP O=C(N[C@@H]1CC[NH2+]C1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000072121603 303870899 /nfs/dbraw/zinc/87/08/99/303870899.db2.gz AXUBTFHWMSFPSB-QGZVFWFLSA-N 2 0 313.445 1.488 50 0 DDAARP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1C=CC[NH2+]1 ZINC000534665507 334318506 /nfs/dbraw/zinc/31/85/06/334318506.db2.gz XOXLWBOYIXKDQX-MRXNPFEDSA-N 2 0 319.836 1.949 50 0 DDAARP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698153 758343629 /nfs/dbraw/zinc/34/36/29/758343629.db2.gz OUQDYWSRIFNJBW-HNNXBMFYSA-N 2 0 311.470 1.288 50 0 DDAARP CC[N@@H+]1C[C@H](NC(=O)C2([NH+]3CCCC3)CCCCC2)[C@@H](OC)C1 ZINC000824504882 759187590 /nfs/dbraw/zinc/18/75/90/759187590.db2.gz SBCKCYXGOCMIPD-HOTGVXAUSA-N 2 0 323.481 1.620 50 0 DDAARP O[C@]1(C[NH2+]CCc2csc(-c3ccncc3)n2)CCC[NH2+]C1 ZINC000072421184 191158529 /nfs/dbraw/zinc/15/85/29/191158529.db2.gz LUVMVFKBLBDFDL-MRXNPFEDSA-N 2 0 318.446 1.452 50 0 DDAARP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000071776347 406842318 /nfs/dbraw/zinc/84/23/18/406842318.db2.gz VIOIVSHKYAEDOD-GOSISDBHSA-N 2 0 324.428 1.862 50 0 DDAARP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCSCC1)c1ccccc1 ZINC000097096435 407279671 /nfs/dbraw/zinc/27/96/71/407279671.db2.gz RAICQTFITGIWIJ-MRXNPFEDSA-N 2 0 321.490 1.844 50 0 DDAARP C[C@H](CNc1cc(-n2cccn2)nc(N)[nH+]1)C[NH+]1CCCC1 ZINC000097104575 407280700 /nfs/dbraw/zinc/28/07/00/407280700.db2.gz NFUZGVXXOMQIED-GFCCVEGCSA-N 2 0 301.398 1.388 50 0 DDAARP OCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccsc1)C[C@H]2CO ZINC000097294612 407290972 /nfs/dbraw/zinc/29/09/72/407290972.db2.gz SMWDKGQPRGDCQJ-INIZCTEOSA-N 2 0 324.490 1.637 50 0 DDAARP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000253416024 407441439 /nfs/dbraw/zinc/44/14/39/407441439.db2.gz MIRFHXCSFHZCFK-DZGCQCFKSA-N 2 0 311.451 1.154 50 0 DDAARP Nc1ncccc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000223855075 407574332 /nfs/dbraw/zinc/57/43/32/407574332.db2.gz OJMVPPFYCOIYDC-UHFFFAOYSA-N 2 0 304.438 1.334 50 0 DDAARP Cc1ccc(CN(C)CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000244840260 407941381 /nfs/dbraw/zinc/94/13/81/407941381.db2.gz UJZOPNFPGXHHED-CALCHBBNSA-N 2 0 301.434 1.447 50 0 DDAARP C[C@@H]1C[C@@H](NCc2cnc(Br)n2C)CC[N@@H+]1C ZINC000585118702 771951788 /nfs/dbraw/zinc/95/17/88/771951788.db2.gz YXQUMXGKJFQMGI-ZJUUUORDSA-N 2 0 301.232 1.755 50 0 DDAARP Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCC[NH+](C)C)c12 ZINC000005345184 181232549 /nfs/dbraw/zinc/23/25/49/181232549.db2.gz QCDHKISVNNZLLS-UHFFFAOYSA-N 2 0 318.469 1.973 50 0 DDAARP CN(Cc1cnc2ccccc2c1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2 ZINC000096167218 407242362 /nfs/dbraw/zinc/24/23/62/407242362.db2.gz OFUXGLYHQOGCRZ-VQIMIIECSA-N 2 0 324.428 1.344 50 0 DDAARP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178562920 407492574 /nfs/dbraw/zinc/49/25/74/407492574.db2.gz GQZAZNWPCWZWLS-LBPRGKRZSA-N 2 0 301.390 1.915 50 0 DDAARP CN(C)c1nccc(N2CC[NH+](C[C@@H]3CCC=CO3)CC2)n1 ZINC000170607074 407452024 /nfs/dbraw/zinc/45/20/24/407452024.db2.gz VDZURSDIICISOB-AWEZNQCLSA-N 2 0 303.410 1.357 50 0 DDAARP CN1CC[C@@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000179396054 407781600 /nfs/dbraw/zinc/78/16/00/407781600.db2.gz HGRQTTXFHVFRMI-QGZVFWFLSA-N 2 0 316.449 1.851 50 0 DDAARP COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CC[NH+](C)C)c1 ZINC000299771984 410618042 /nfs/dbraw/zinc/61/80/42/410618042.db2.gz YWLGJLIHNNIVIN-MRXNPFEDSA-N 2 0 319.449 1.728 50 0 DDAARP C[C@@H](C(=O)N1CCC(OCCC[NH+](C)C)CC1)[NH+]1CC(C)C1 ZINC000408518125 418807381 /nfs/dbraw/zinc/80/73/81/418807381.db2.gz VIXYGGRBRMFEDR-HNNXBMFYSA-N 2 0 311.470 1.286 50 0 DDAARP C[C@H](c1cccnc1)N1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000408525462 418808613 /nfs/dbraw/zinc/80/86/13/418808613.db2.gz SXVVNGRDEWXJPN-VNQPRFMTSA-N 2 0 302.422 1.414 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000299740160 229373859 /nfs/dbraw/zinc/37/38/59/229373859.db2.gz WJEGRDZGIGAOIA-OIISXLGYSA-N 2 0 316.449 1.550 50 0 DDAARP CCc1cc(NC[C@H]2C[NH2+]CCOC2)nc(N2CCCCC2)[nH+]1 ZINC000072144861 696393151 /nfs/dbraw/zinc/39/31/51/696393151.db2.gz BXFGEIGWYMUTAC-CQSZACIVSA-N 2 0 319.453 1.677 50 0 DDAARP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C[C@H]1c1ccccc1 ZINC000864096512 706066339 /nfs/dbraw/zinc/06/63/39/706066339.db2.gz BVGDAJWUKQJRTH-IKGGRYGDSA-N 3 0 301.434 1.039 50 0 DDAARP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000328599229 529902290 /nfs/dbraw/zinc/90/22/90/529902290.db2.gz QSBNFTXHKYOWJC-ZWKOTPCHSA-N 2 0 315.461 1.884 50 0 DDAARP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000237603987 202300384 /nfs/dbraw/zinc/30/03/84/202300384.db2.gz AXXXGMYQHFWVOR-WTTBNOFXSA-N 2 0 323.481 1.462 50 0 DDAARP COCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000081292282 285015311 /nfs/dbraw/zinc/01/53/11/285015311.db2.gz ZHWSCLNWSFMQDM-MRXNPFEDSA-N 2 0 311.470 1.432 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000069581326 406737424 /nfs/dbraw/zinc/73/74/24/406737424.db2.gz LGQCZFSIVRECHP-ZDUSSCGKSA-N 2 0 308.470 1.890 50 0 DDAARP CC(C)C[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802127 737344263 /nfs/dbraw/zinc/34/42/63/737344263.db2.gz AMUJODFLJJKOFD-MRXNPFEDSA-N 2 0 323.481 1.288 50 0 DDAARP Cc1cccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000828015612 759450269 /nfs/dbraw/zinc/45/02/69/759450269.db2.gz CBVKICGGBWTEJC-MRXNPFEDSA-N 2 0 304.438 1.649 50 0 DDAARP C[NH2+]CCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1 ZINC000006882415 406742564 /nfs/dbraw/zinc/74/25/64/406742564.db2.gz NZPBCCYULVRQGV-UHFFFAOYSA-N 2 0 307.438 1.679 50 0 DDAARP O=c1c2c(ncn1CC[NH+]1CCCC1)sc1c2CC[NH2+]C1 ZINC000077376564 406987489 /nfs/dbraw/zinc/98/74/89/406987489.db2.gz CBABRBSQDKXBQY-UHFFFAOYSA-N 2 0 304.419 1.200 50 0 DDAARP Cc1c[nH+]ccc1N1C[C@H](CO)[C@H](C[NH+]2CCC(CO)CC2)C1 ZINC000095373859 407210750 /nfs/dbraw/zinc/21/07/50/407210750.db2.gz CFUNCUPGRZFMAG-IAGOWNOFSA-N 2 0 319.449 1.139 50 0 DDAARP CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)[C@@H]1CC[NH2+]C1 ZINC000214985422 407479275 /nfs/dbraw/zinc/47/92/75/407479275.db2.gz XRDVZMXEAPZERQ-GFCCVEGCSA-N 2 0 316.405 1.572 50 0 DDAARP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](CC1CC1)CC2 ZINC000257181992 407484930 /nfs/dbraw/zinc/48/49/30/407484930.db2.gz OICMCBLDAGPNBJ-INIZCTEOSA-N 2 0 321.465 1.042 50 0 DDAARP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000216280814 407496710 /nfs/dbraw/zinc/49/67/10/407496710.db2.gz BVVGDQOGVLVDFY-AWEZNQCLSA-N 2 0 323.462 1.207 50 0 DDAARP CN1CC[C@H]([N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000179396044 407783027 /nfs/dbraw/zinc/78/30/27/407783027.db2.gz HGRQTTXFHVFRMI-KRWDZBQOSA-N 2 0 316.449 1.851 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000069582484 278395771 /nfs/dbraw/zinc/39/57/71/278395771.db2.gz SEMDCYDFICSGLZ-CXAGYDPISA-N 2 0 310.413 1.542 50 0 DDAARP C[NH+]1CCC(OCCCNC(=O)C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000534648565 334316707 /nfs/dbraw/zinc/31/67/07/334316707.db2.gz VJVFVCHSPRYOOL-HNNXBMFYSA-N 2 0 311.470 1.478 50 0 DDAARP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760824 484001430 /nfs/dbraw/zinc/00/14/30/484001430.db2.gz ZZNOGZMAMCUGBT-IXDOHACOSA-N 2 0 324.513 1.948 50 0 DDAARP O=C(N[C@H]1CC[NH2+]C1)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000072121604 518200735 /nfs/dbraw/zinc/20/07/35/518200735.db2.gz AXUBTFHWMSFPSB-KRWDZBQOSA-N 2 0 313.445 1.488 50 0 DDAARP C[NH+](C)C[C@@]1(CO)CCCN(CC(C)(C)[NH+]2CCCCC2)C1 ZINC000952970660 721529356 /nfs/dbraw/zinc/52/93/56/721529356.db2.gz LKJBFNTVFGDOMJ-SFHVURJKSA-N 2 0 311.514 1.887 50 0 DDAARP CC(C)n1ccnc1[C@@H]1CCC[N@H+](CC(=O)N2CC[NH2+]CC2)C1 ZINC000095379104 257271945 /nfs/dbraw/zinc/27/19/45/257271945.db2.gz VQMUCFMEKLLWJQ-OAHLLOKOSA-N 2 0 319.453 1.075 50 0 DDAARP C[NH+](C)C1(CNc2cc(C3CC([NH3+])C3)nc(N)n2)CCCCC1 ZINC000222564216 257274327 /nfs/dbraw/zinc/27/43/27/257274327.db2.gz ZOJJVTKHQFRDMB-UHFFFAOYSA-N 2 0 318.469 1.940 50 0 DDAARP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000108588267 257242456 /nfs/dbraw/zinc/24/24/56/257242456.db2.gz OVRNCWIQYJDPGT-HNNXBMFYSA-N 2 0 317.437 1.255 50 0 DDAARP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078498267 407030651 /nfs/dbraw/zinc/03/06/51/407030651.db2.gz PQVFLLBCQXDIHW-MRXNPFEDSA-N 2 0 302.422 1.605 50 0 DDAARP Cn1c2ccccc2nc1C1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000077379364 406988015 /nfs/dbraw/zinc/98/80/15/406988015.db2.gz ONHGBFWOGJBANP-GOSISDBHSA-N 2 0 314.433 1.477 50 0 DDAARP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000188409697 222013158 /nfs/dbraw/zinc/01/31/58/222013158.db2.gz SWZRWEKAZXHEBJ-OAHLLOKOSA-N 2 0 316.449 1.262 50 0 DDAARP Cc1c[nH+]ccc1N1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000426544878 419501916 /nfs/dbraw/zinc/50/19/16/419501916.db2.gz CIVOQQZDEZXQNN-UHFFFAOYSA-N 2 0 316.449 1.913 50 0 DDAARP C[C@@H]1C[N@@H+](CCC(=O)N2CCC3(C2)CC[NH+](C)CC3)C[C@H](C)O1 ZINC000065385922 288154318 /nfs/dbraw/zinc/15/43/18/288154318.db2.gz RGRXIJYZMAWXPO-IYBDPMFKSA-N 2 0 323.481 1.430 50 0 DDAARP CC(C)[N@@H+]1CCO[C@@H](CC(=O)NCC(C)(C)[NH+]2CCCC2)C1 ZINC000670459496 484844153 /nfs/dbraw/zinc/84/41/53/484844153.db2.gz TXFYJILAVVBPEV-HNNXBMFYSA-N 2 0 311.470 1.476 50 0 DDAARP COCCC[N@@H+]1CC[C@@H](C[NH2+]C2CSCCSC2)C1 ZINC000952980902 721531537 /nfs/dbraw/zinc/53/15/37/721531537.db2.gz RWCBGHJWJFYYJB-ZDUSSCGKSA-N 2 0 304.525 1.783 50 0 DDAARP COc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000019368295 182120224 /nfs/dbraw/zinc/12/02/24/182120224.db2.gz UHBZUEUBAOMFBL-UHFFFAOYSA-N 2 0 303.450 1.907 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000069418462 184513596 /nfs/dbraw/zinc/51/35/96/184513596.db2.gz ADHVEXKZNISCCA-UHFFFAOYSA-N 2 0 315.421 1.061 50 0 DDAARP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000237431621 296647520 /nfs/dbraw/zinc/64/75/20/296647520.db2.gz JMAMDVXENUFRLI-HZPDHXFCSA-N 2 0 322.497 1.275 50 0 DDAARP C[NH+](C)C[C@@H]1[C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)nc3)C[C@H]21 ZINC000102076894 407319959 /nfs/dbraw/zinc/31/99/59/407319959.db2.gz PKYBOMKPQHCILO-PHZGNYQRSA-N 2 0 309.417 1.778 50 0 DDAARP O=S1(=O)CC[C@@H](C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067803190 407285566 /nfs/dbraw/zinc/28/55/66/407285566.db2.gz MOUSMWMVMLMVGK-ZDUSSCGKSA-N 2 0 300.468 1.323 50 0 DDAARP c1c(C[N@@H+]2CCC[C@@]3(CCCO3)CC2)nn2c1C[NH2+]CCC2 ZINC000215805594 407490419 /nfs/dbraw/zinc/49/04/19/407490419.db2.gz FIYWWBQMTQONML-QGZVFWFLSA-N 2 0 304.438 1.912 50 0 DDAARP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000375300984 307221084 /nfs/dbraw/zinc/22/10/84/307221084.db2.gz DKTLVHYOULQGCU-SFHVURJKSA-N 2 0 323.481 1.478 50 0 DDAARP CC[C@@H]([NH3+])C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000152945770 337383303 /nfs/dbraw/zinc/38/33/03/337383303.db2.gz WUJRHCYNRVIPOK-MRXNPFEDSA-N 2 0 304.438 1.884 50 0 DDAARP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OCC(N)=O)CC2 ZINC000067605453 696362332 /nfs/dbraw/zinc/36/23/32/696362332.db2.gz PHCMKQRJVIPIHL-UHFFFAOYSA-N 2 0 317.433 1.468 50 0 DDAARP CC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000089393744 192779592 /nfs/dbraw/zinc/77/95/92/192779592.db2.gz CGVATRZIQRKSAW-INIZCTEOSA-N 2 0 304.438 1.754 50 0 DDAARP C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000108588264 257242444 /nfs/dbraw/zinc/24/24/44/257242444.db2.gz OVRNCWIQYJDPGT-OAHLLOKOSA-N 2 0 317.437 1.255 50 0 DDAARP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000069351337 406700803 /nfs/dbraw/zinc/70/08/03/406700803.db2.gz OHIDYLPFSOFQHL-CYBMUJFWSA-N 2 0 306.406 1.598 50 0 DDAARP Cn1c2ccccc2nc1C1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1 ZINC000077379361 406988138 /nfs/dbraw/zinc/98/81/38/406988138.db2.gz ONHGBFWOGJBANP-SFHVURJKSA-N 2 0 314.433 1.477 50 0 DDAARP CN(CC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000096443409 407267819 /nfs/dbraw/zinc/26/78/19/407267819.db2.gz WPVYUYIUECXNRP-KRWDZBQOSA-N 2 0 309.498 1.905 50 0 DDAARP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1CO)c1ccco1 ZINC000252679226 408808023 /nfs/dbraw/zinc/80/80/23/408808023.db2.gz JRSVKBWTWALCJO-LSDHHAIUSA-N 2 0 323.437 1.235 50 0 DDAARP Fc1ccc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1F ZINC000426530899 228583736 /nfs/dbraw/zinc/58/37/36/228583736.db2.gz PZGOVFOSHCUJNS-UHFFFAOYSA-N 2 0 324.419 1.428 50 0 DDAARP Cc1[nH+]c(N)nc(N2CCC([NH+]3CCSCC3)CC2)c1C ZINC000091416416 274840530 /nfs/dbraw/zinc/84/05/30/274840530.db2.gz JEQGACULQAUKBH-UHFFFAOYSA-N 2 0 307.467 1.693 50 0 DDAARP C[NH+](C)CC1(CNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000096502966 282071640 /nfs/dbraw/zinc/07/16/40/282071640.db2.gz DNUKBEMFYGJNAG-CABCVRRESA-N 2 0 310.486 1.890 50 0 DDAARP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CO)c1ccco1 ZINC000084771087 484000851 /nfs/dbraw/zinc/00/08/51/484000851.db2.gz JRSVKBWTWALCJO-CABCVRRESA-N 2 0 323.437 1.235 50 0 DDAARP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000072129090 696393125 /nfs/dbraw/zinc/39/31/25/696393125.db2.gz FZUZSKPHLZOTLV-GOSISDBHSA-N 2 0 319.449 1.081 50 0 DDAARP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)NCc2ccccc2)CC1 ZINC000072129089 696393269 /nfs/dbraw/zinc/39/32/69/696393269.db2.gz FZUZSKPHLZOTLV-SFHVURJKSA-N 2 0 319.449 1.081 50 0 DDAARP C[C@H](COCC(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCCC1 ZINC000585121492 771953161 /nfs/dbraw/zinc/95/31/61/771953161.db2.gz QVTORTYETVGYDU-OAHLLOKOSA-N 2 0 313.486 1.724 50 0 DDAARP CSCC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000164452210 197653653 /nfs/dbraw/zinc/65/36/53/197653653.db2.gz YJVLWTHJVNFKNO-HNNXBMFYSA-N 2 0 313.511 1.791 50 0 DDAARP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082138594 192360613 /nfs/dbraw/zinc/36/06/13/192360613.db2.gz JBVPAVBYICKQKZ-HNNXBMFYSA-N 2 0 302.422 1.162 50 0 DDAARP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167773964 354250634 /nfs/dbraw/zinc/25/06/34/354250634.db2.gz FOVNEYBQTHCBNV-HZPDHXFCSA-N 2 0 309.454 1.232 50 0 DDAARP C[NH2+]CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000091818020 193112628 /nfs/dbraw/zinc/11/26/28/193112628.db2.gz JWZLCOIKOPRYDM-JKSUJKDBSA-N 2 0 317.433 1.337 50 0 DDAARP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccnc2)CC1 ZINC000069808353 406775056 /nfs/dbraw/zinc/77/50/56/406775056.db2.gz VAJCDQUVMBNBFS-AWEZNQCLSA-N 2 0 320.437 1.045 50 0 DDAARP COCCN(C(=O)Nc1cccc(C[NH3+])c1)C1CC[NH+](C)CC1 ZINC000097475436 407298526 /nfs/dbraw/zinc/29/85/26/407298526.db2.gz LYWNBEQKBDPLKH-UHFFFAOYSA-N 2 0 320.437 1.720 50 0 DDAARP C[NH+](C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000097681886 407301429 /nfs/dbraw/zinc/30/14/29/407301429.db2.gz CAPJJVOLNGAVGI-SFHVURJKSA-N 2 0 301.434 1.916 50 0 DDAARP CCn1cncc1C[NH+]1CCC([C@@H](C)[NH+]2CCOCC2)CC1 ZINC000215226990 407480236 /nfs/dbraw/zinc/48/02/36/407480236.db2.gz LRWUYWQZXZPZRB-OAHLLOKOSA-N 2 0 306.454 1.836 50 0 DDAARP [NH3+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000178572747 407497458 /nfs/dbraw/zinc/49/74/58/407497458.db2.gz YILJSWSXXXMPAW-IAGOWNOFSA-N 2 0 301.434 1.848 50 0 DDAARP Cc1cc(N2CC[NH+](CCCc3ccco3)CC2)nc(N)[nH+]1 ZINC000244874861 407944569 /nfs/dbraw/zinc/94/45/69/407944569.db2.gz XIKIFWBUUPKEGV-UHFFFAOYSA-N 2 0 301.394 1.715 50 0 DDAARP C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3c[nH+]ccc3N)c2)C1 ZINC000426473728 419481963 /nfs/dbraw/zinc/48/19/63/419481963.db2.gz XHIQIOPLVLMPBI-OAHLLOKOSA-N 2 0 310.401 1.937 50 0 DDAARP COCCN1C[C@H]([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CC1=O ZINC000067805503 696364471 /nfs/dbraw/zinc/36/44/71/696364471.db2.gz OYAUJPNSQJOCRV-OAHLLOKOSA-N 2 0 309.454 1.136 50 0 DDAARP C[N@@H+]1CCCCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000952962155 721528387 /nfs/dbraw/zinc/52/83/87/721528387.db2.gz BYWCYCLXUIJQAE-MRXNPFEDSA-N 2 0 323.481 1.310 50 0 DDAARP C[C@](O)(C[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877180 775627908 /nfs/dbraw/zinc/62/79/08/775627908.db2.gz MFDWFMYNXQRVIC-YSHGAJCASA-N 2 0 318.461 1.573 50 0 DDAARP CN(Cc1cccc(O)c1)C(=O)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072134452 191046697 /nfs/dbraw/zinc/04/66/97/191046697.db2.gz YXNKRPHWFQNJTD-OAHLLOKOSA-N 2 0 303.406 1.082 50 0 DDAARP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000237718712 202337486 /nfs/dbraw/zinc/33/74/86/202337486.db2.gz SHCBPDDCRIIAIJ-INIZCTEOSA-N 2 0 316.449 1.067 50 0 DDAARP CN(C(=O)C1(O)CC[NH+](C)CC1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097468364 193723778 /nfs/dbraw/zinc/72/37/78/193723778.db2.gz XXXSHDBUDQOPEM-MRXNPFEDSA-N 2 0 319.449 1.204 50 0 DDAARP Cc1[nH+]c(N(C)C)nc(NCC[N@@H+]2CCCC[C@H]2CO)c1C ZINC000065407992 184339241 /nfs/dbraw/zinc/33/92/41/184339241.db2.gz WMVDYAAMEIMYOO-AWEZNQCLSA-N 2 0 307.442 1.418 50 0 DDAARP Cc1ccoc1-c1nnc(C[NH2+]CC2CC[NH+](CCO)CC2)o1 ZINC000069703940 184838742 /nfs/dbraw/zinc/83/87/42/184838742.db2.gz ONZHHUYOOPOHGU-UHFFFAOYSA-N 2 0 320.393 1.432 50 0 DDAARP OCC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000069436570 406711902 /nfs/dbraw/zinc/71/19/02/406711902.db2.gz GTJHSYRPCVZBTM-UHFFFAOYSA-N 2 0 314.433 1.871 50 0 DDAARP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000082092646 407080909 /nfs/dbraw/zinc/08/09/09/407080909.db2.gz HQOFHZCAKOZAOU-CQSZACIVSA-N 2 0 302.422 1.162 50 0 DDAARP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1 ZINC000215861678 407489213 /nfs/dbraw/zinc/48/92/13/407489213.db2.gz LBJOMLOWYHLCFV-DOTOQJQBSA-N 2 0 305.422 1.389 50 0 DDAARP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333154775 410390325 /nfs/dbraw/zinc/39/03/25/410390325.db2.gz FNWSQLHMAOBZHR-ORQFMDKSSA-N 2 0 301.434 1.575 50 0 DDAARP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000084789319 276386373 /nfs/dbraw/zinc/38/63/73/276386373.db2.gz JUIWNTVVSMECSE-QGZVFWFLSA-N 2 0 322.497 1.101 50 0 DDAARP CC(C)[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)[N@H+](C)C2)CC1 ZINC000581802802 761709546 /nfs/dbraw/zinc/70/95/46/761709546.db2.gz OWQYFNCCLOVTCO-OAHLLOKOSA-N 2 0 309.454 1.040 50 0 DDAARP C[NH+](C)CCc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000585121155 771952339 /nfs/dbraw/zinc/95/23/39/771952339.db2.gz HJHAAYORWILMNZ-QGZVFWFLSA-N 2 0 317.433 1.450 50 0 DDAARP C[NH+]1CCN(C[C@H]([NH2+]C2CCOCC2)c2ccccc2)CC1 ZINC000095421742 185360654 /nfs/dbraw/zinc/36/06/54/185360654.db2.gz LCVGMOKUMSZDJT-SFHVURJKSA-N 2 0 303.450 1.744 50 0 DDAARP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000095466771 185371724 /nfs/dbraw/zinc/37/17/24/185371724.db2.gz ZQOAMZQWUSBIMG-KRWDZBQOSA-N 2 0 303.450 1.891 50 0 DDAARP [NH3+]C[C@@H]1CCN(c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)C1 ZINC000072458896 191172394 /nfs/dbraw/zinc/17/23/94/191172394.db2.gz KICGZJQOXWTMJO-ZDUSSCGKSA-N 2 0 315.465 1.607 50 0 DDAARP C(C[NH+]1CCCC1)Nc1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072477460 191179806 /nfs/dbraw/zinc/17/98/06/191179806.db2.gz UYKVMGPXUGCHIO-UHFFFAOYSA-N 2 0 315.465 1.625 50 0 DDAARP CC[N@@H+]1CCC[C@@H]1Cn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072480969 191181263 /nfs/dbraw/zinc/18/12/63/191181263.db2.gz AIJNNZYRUJHNJQ-CQSZACIVSA-N 2 0 314.437 1.724 50 0 DDAARP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000237518028 202269154 /nfs/dbraw/zinc/26/91/54/202269154.db2.gz DMIWIFRKSFNVRP-FMKPAKJESA-N 2 0 302.422 1.018 50 0 DDAARP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000237795494 202356721 /nfs/dbraw/zinc/35/67/21/202356721.db2.gz MUKXUQKJLPVIAG-QGZVFWFLSA-N 2 0 317.433 1.257 50 0 DDAARP C[C@@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095088907 407205981 /nfs/dbraw/zinc/20/59/81/407205981.db2.gz ORVGAQKEQXPYTR-OAHLLOKOSA-N 2 0 301.434 1.848 50 0 DDAARP C[C@@H]1CC([N@@H+]2CCC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000097102823 407280235 /nfs/dbraw/zinc/28/02/35/407280235.db2.gz ZJNGIMLUMAQTFB-FPCVCCKLSA-N 2 0 323.481 1.523 50 0 DDAARP Cc1nc(CC[NH3+])cc(N2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000067712845 407281190 /nfs/dbraw/zinc/28/11/90/407281190.db2.gz AOPUZHPSSQYRRX-MRXNPFEDSA-N 2 0 317.481 1.989 50 0 DDAARP C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000178982068 407679863 /nfs/dbraw/zinc/67/98/63/407679863.db2.gz LOEOXDNAFHMNAV-AWEZNQCLSA-N 2 0 305.422 1.309 50 0 DDAARP COC[C@H]1CC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244700936 407932040 /nfs/dbraw/zinc/93/20/40/407932040.db2.gz JWUBPMTUVMUKAG-IBGZPJMESA-N 2 0 317.477 1.773 50 0 DDAARP C[C@H]1CSCC[N@H+](C[C@H](O)C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000248759378 408630619 /nfs/dbraw/zinc/63/06/19/408630619.db2.gz XMWWNFXRYIHHKE-FICVDOATSA-N 2 0 318.552 1.717 50 0 DDAARP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@](C)(O)C1)c1ccccc1 ZINC000249371669 408719899 /nfs/dbraw/zinc/71/98/99/408719899.db2.gz WYAKJSZMHOCXLI-AEFFLSMTSA-N 2 0 319.449 1.252 50 0 DDAARP CCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000252509971 408802803 /nfs/dbraw/zinc/80/28/03/408802803.db2.gz YZIRRAPFFFENPG-UHFFFAOYSA-N 2 0 315.461 1.979 50 0 DDAARP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000299738816 410604866 /nfs/dbraw/zinc/60/48/66/410604866.db2.gz GTYGEGXCAUMQSN-YVSFHVDLSA-N 2 0 322.497 1.131 50 0 DDAARP COc1cccc(F)c1C[NH+]1CCC(CO)(C[NH+](C)C)CC1 ZINC000670441079 484831249 /nfs/dbraw/zinc/83/12/49/484831249.db2.gz FMZYKVONARTTJN-UHFFFAOYSA-N 2 0 310.413 1.970 50 0 DDAARP C[C@@H](CCC(=O)NC(C)(C)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000670467146 484846487 /nfs/dbraw/zinc/84/64/87/484846487.db2.gz LABCKZIRVHNUCR-INIZCTEOSA-N 2 0 324.513 1.393 50 0 DDAARP