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]1CCCC[N@@H+]1C1CN(CCc2[nH+]ccn2C)C1 ZINC001506408338 975152852 /nfs/dbraw/zinc/15/28/52/975152852.db2.gz RQDRUWANHBIPRO-CYBMUJFWSA-N 2 1 262.401 1.521 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C1CN(CCc2[nH+]ccn2C)C1 ZINC001506408338 975152854 /nfs/dbraw/zinc/15/28/54/975152854.db2.gz RQDRUWANHBIPRO-CYBMUJFWSA-N 2 1 262.401 1.521 50 0 CDAAMP CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001506408383 975153336 /nfs/dbraw/zinc/15/33/36/975153336.db2.gz RVYOBOLXVCJWMS-CQSZACIVSA-N 2 1 281.444 1.566 50 0 CDAAMP Cc1ncc(CO)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000067895942 357636467 /nfs/dbraw/zinc/63/64/67/357636467.db2.gz LWAVPRWBOFHXPM-INIZCTEOSA-N 2 1 291.395 1.163 50 0 CDAAMP Cc1ncc(CO)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1O ZINC000067895942 357636469 /nfs/dbraw/zinc/63/64/69/357636469.db2.gz LWAVPRWBOFHXPM-INIZCTEOSA-N 2 1 291.395 1.163 50 0 CDAAMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@H](CC[NH3+])C1 ZINC000097823436 358800895 /nfs/dbraw/zinc/80/08/95/358800895.db2.gz VDKHESUVGPNGLD-CQSZACIVSA-N 2 1 252.333 1.684 50 0 CDAAMP Cc1cc(F)ccc1C[N@H+]1CCO[C@H](CC[NH3+])C1 ZINC000097823436 358800899 /nfs/dbraw/zinc/80/08/99/358800899.db2.gz VDKHESUVGPNGLD-CQSZACIVSA-N 2 1 252.333 1.684 50 0 CDAAMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000245442411 367273758 /nfs/dbraw/zinc/27/37/58/367273758.db2.gz WGQBRMVSMXMOIC-HOTGVXAUSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000245442411 367273762 /nfs/dbraw/zinc/27/37/62/367273762.db2.gz WGQBRMVSMXMOIC-HOTGVXAUSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000245418549 367273992 /nfs/dbraw/zinc/27/39/92/367273992.db2.gz GPAZVHSRZKTBAT-BFHYXJOUSA-N 2 1 267.417 1.447 50 0 CDAAMP C[N@H+]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420732 374923180 /nfs/dbraw/zinc/92/31/80/374923180.db2.gz SCZOYHXMZOPBKA-HNNXBMFYSA-N 2 1 251.418 1.545 50 0 CDAAMP CN1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000095420732 374923185 /nfs/dbraw/zinc/92/31/85/374923185.db2.gz SCZOYHXMZOPBKA-HNNXBMFYSA-N 2 1 251.418 1.545 50 0 CDAAMP CC[N@H+]1CCC[C@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317248 /nfs/dbraw/zinc/31/72/48/279317248.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317250 /nfs/dbraw/zinc/31/72/50/279317250.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317251 /nfs/dbraw/zinc/31/72/51/279317251.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 2 1 253.434 1.885 50 0 CDAAMP CC(C)[N@H+]1CC[C@H](C[NH+](C)CCn2cccn2)C1 ZINC000299766555 678313369 /nfs/dbraw/zinc/31/33/69/678313369.db2.gz PAGGXAJGAPIEGD-CQSZACIVSA-N 2 1 250.390 1.545 50 0 CDAAMP CC(C)[NH+]1CC[C@H](C[N@H+](C)CCn2cccn2)C1 ZINC000299766555 678313375 /nfs/dbraw/zinc/31/33/75/678313375.db2.gz PAGGXAJGAPIEGD-CQSZACIVSA-N 2 1 250.390 1.545 50 0 CDAAMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CCn2cccn2)C1 ZINC000299766555 678313380 /nfs/dbraw/zinc/31/33/80/678313380.db2.gz PAGGXAJGAPIEGD-CQSZACIVSA-N 2 1 250.390 1.545 50 0 CDAAMP Cc1[nH+]c(N)nc(N[C@@H]2CCC[C@H]2[NH+](C)C)c1Cl ZINC001506431650 909211342 /nfs/dbraw/zinc/21/13/42/909211342.db2.gz TYQZNCRMIZELPM-RKDXNWHRSA-N 2 1 269.780 1.915 50 0 CDAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1Nc1nc(N(C)C)[nH+]c(C)c1C ZINC000823350072 925687325 /nfs/dbraw/zinc/68/73/25/925687325.db2.gz JWAJHZWGLBVKFZ-STQMWFEESA-N 2 1 293.415 1.290 50 0 CDAAMP CSc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)cc(N)[nH+]1 ZINC001506396488 975147795 /nfs/dbraw/zinc/14/77/95/975147795.db2.gz BGJBBDSBXYYLCF-RKDXNWHRSA-N 2 1 267.402 1.675 50 0 CDAAMP Cc1ccc(C)c(OCCOCC[NH2+]CC[NH3+])c1C ZINC000022034177 342088951 /nfs/dbraw/zinc/08/89/51/342088951.db2.gz ZDEKUHWGFOGUPH-UHFFFAOYSA-N 2 1 266.385 1.556 50 0 CDAAMP C[C@@H]1C[C@@H]([N@H+]2CC[C@H](CNc3ccccn3)C2)C(=O)O1 ZINC000097200653 342217137 /nfs/dbraw/zinc/21/71/37/342217137.db2.gz QBQYGQJINRHXCR-JHJVBQTASA-N 2 1 275.352 1.519 50 0 CDAAMP CC(C)(C[NH2+][C@H]1CCNC(=O)CC1)[NH+]1CCCC1 ZINC000584897077 349358305 /nfs/dbraw/zinc/35/83/05/349358305.db2.gz DZEYVTNXSDSKHU-GFCCVEGCSA-N 2 1 253.390 1.119 50 0 CDAAMP CC(C)CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012473964 356301252 /nfs/dbraw/zinc/30/12/52/356301252.db2.gz VXJPQVZMRDVLRS-CQSZACIVSA-N 2 1 281.444 1.565 50 0 CDAAMP CC(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012473964 356301257 /nfs/dbraw/zinc/30/12/57/356301257.db2.gz VXJPQVZMRDVLRS-CQSZACIVSA-N 2 1 281.444 1.565 50 0 CDAAMP CC[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000097002311 357910309 /nfs/dbraw/zinc/91/03/09/357910309.db2.gz PZSREKOIWRHNFF-MRXNPFEDSA-N 2 1 283.460 1.515 50 0 CDAAMP OC1(C[NH+]2CCCC2)CC[NH+](Cc2cccnc2)CC1 ZINC000216014804 358918488 /nfs/dbraw/zinc/91/84/88/358918488.db2.gz ZRJRZXJPHHIYES-UHFFFAOYSA-N 2 1 275.396 1.504 50 0 CDAAMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261718806 359551820 /nfs/dbraw/zinc/55/18/20/359551820.db2.gz LHJSKJRXKJKNPT-OLZOCXBDSA-N 2 1 253.390 1.071 50 0 CDAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000037644245 369505490 /nfs/dbraw/zinc/50/54/90/369505490.db2.gz CGOHSXGVSPBUPW-CQSZACIVSA-N 2 1 276.380 1.889 50 0 CDAAMP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)cc12 ZINC000107912599 412805186 /nfs/dbraw/zinc/80/51/86/412805186.db2.gz SWQUUQNAYFISHV-ZDUSSCGKSA-N 2 1 287.411 1.708 50 0 CDAAMP C[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299738466 375198991 /nfs/dbraw/zinc/19/89/91/375198991.db2.gz BDLHYPLZEHHBHX-ZBFHGGJFSA-N 2 1 289.423 1.575 50 0 CDAAMP CSCC[NH+]1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC000670473383 483083281 /nfs/dbraw/zinc/08/32/81/483083281.db2.gz GNOICXLROFXLKD-UHFFFAOYSA-N 2 1 299.484 1.226 50 0 CDAAMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012438744 285031120 /nfs/dbraw/zinc/03/11/20/285031120.db2.gz JKTUIRWOLPOVGX-MRXNPFEDSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012438744 285031122 /nfs/dbraw/zinc/03/11/22/285031122.db2.gz JKTUIRWOLPOVGX-MRXNPFEDSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000012438744 285031124 /nfs/dbraw/zinc/03/11/24/285031124.db2.gz JKTUIRWOLPOVGX-MRXNPFEDSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000012438744 285031125 /nfs/dbraw/zinc/03/11/25/285031125.db2.gz JKTUIRWOLPOVGX-MRXNPFEDSA-N 2 1 282.428 1.600 50 0 CDAAMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCCCCC1 ZINC000261662507 391365564 /nfs/dbraw/zinc/36/55/64/391365564.db2.gz FGQPWNXUMWQAOO-UHFFFAOYSA-N 2 1 279.428 1.465 50 0 CDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261718805 140380319 /nfs/dbraw/zinc/38/03/19/140380319.db2.gz LHJSKJRXKJKNPT-CHWSQXEVSA-N 2 1 253.390 1.071 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1cccc2ccccc21 ZINC000022079107 171352599 /nfs/dbraw/zinc/35/25/99/171352599.db2.gz RYWKZQBVNHJACF-UHFFFAOYSA-N 2 1 274.364 1.784 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@@H](C)Cn2cc[nH+]c2CC)CC1 ZINC000534578273 328310937 /nfs/dbraw/zinc/31/09/37/328310937.db2.gz ZZIUKRFUFHFKGK-ZDUSSCGKSA-N 2 1 292.427 1.825 50 0 CDAAMP CCCCc1ncc(C[N@H+]2CC[C@@H](CC(=O)NC)C2)[nH]1 ZINC000670433954 482967532 /nfs/dbraw/zinc/96/75/32/482967532.db2.gz RJXQDZFHPNHXEN-LBPRGKRZSA-N 2 1 278.400 1.710 50 0 CDAAMP CCCCc1nc(C[N@@H+]2CC[C@@H](CC(=O)NC)C2)c[nH]1 ZINC000670433954 482967537 /nfs/dbraw/zinc/96/75/37/482967537.db2.gz RJXQDZFHPNHXEN-LBPRGKRZSA-N 2 1 278.400 1.710 50 0 CDAAMP c1cnnc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)c1 ZINC000426495577 681570329 /nfs/dbraw/zinc/57/03/29/681570329.db2.gz HKGDMRGFKRLSEF-UHFFFAOYSA-N 2 1 260.385 1.832 50 0 CDAAMP CC[NH+](CC)CCCNC(=O)N1CCc2nc(C)[nH]c2C1 ZINC000426495892 682384088 /nfs/dbraw/zinc/38/40/88/682384088.db2.gz XUJPBTALGUJOAR-UHFFFAOYSA-N 2 1 293.415 1.518 50 0 CDAAMP CC(C)=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001001265498 683571817 /nfs/dbraw/zinc/57/18/17/683571817.db2.gz TZUQJWFDMKBMEG-INIZCTEOSA-N 2 1 293.455 1.875 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC001772707455 1159441473 /nfs/dbraw/zinc/44/14/73/1159441473.db2.gz SXFYLWIQYRJDBJ-HOTGVXAUSA-N 2 1 266.429 1.861 50 0 CDAAMP O[C@@H]1CCC[N@@H+](CCCNc2cc[nH+]c3ccccc23)C1 ZINC000828627373 926150876 /nfs/dbraw/zinc/15/08/76/926150876.db2.gz IUWYJYFBIHHISJ-CQSZACIVSA-N 2 1 285.391 1.915 50 0 CDAAMP CNC(=O)CC[C@@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000585139269 342216602 /nfs/dbraw/zinc/21/66/02/342216602.db2.gz RKJXABGCXRFPER-HNNXBMFYSA-N 2 1 281.444 1.709 50 0 CDAAMP Cc1cccc([C@@H](C(=O)N2CCC([NH3+])CC2)[NH+](C)C)c1 ZINC000065404434 357537691 /nfs/dbraw/zinc/53/76/91/357537691.db2.gz JRTRFGFAOQWPJA-HNNXBMFYSA-N 2 1 275.396 1.547 50 0 CDAAMP C[NH2+]C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000067954788 357639975 /nfs/dbraw/zinc/63/99/75/357639975.db2.gz SDKYMYRROLHANG-ZDUSSCGKSA-N 2 1 269.433 1.469 50 0 CDAAMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000426380769 360661233 /nfs/dbraw/zinc/66/12/33/360661233.db2.gz ZCRIGHZEBBRXNP-OAHLLOKOSA-N 2 1 259.397 1.915 50 0 CDAAMP Cn1c(SCCc2[nH]cc[nH+]2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426712758 360698937 /nfs/dbraw/zinc/69/89/37/360698937.db2.gz OJJUMMUBSOGVRW-JTQLQIEISA-N 2 1 292.412 1.340 50 0 CDAAMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021993 393193629 /nfs/dbraw/zinc/19/36/29/393193629.db2.gz IINJXOIZFRSOGL-AAEUAGOBSA-N 2 1 262.353 1.627 50 0 CDAAMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000247014784 287086094 /nfs/dbraw/zinc/08/60/94/287086094.db2.gz CIABAOWNNOOJIL-GDBMZVCRSA-N 2 1 284.444 1.580 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000251942146 288304325 /nfs/dbraw/zinc/30/43/25/288304325.db2.gz ZRAXDDXGRDMKBG-ZOBORPQBSA-N 2 1 265.401 1.199 50 0 CDAAMP CCN(CC[NH+]1CCC(C)CC1)c1nnc(C[NH2+]C)o1 ZINC001772701698 1159437750 /nfs/dbraw/zinc/43/77/50/1159437750.db2.gz BAFREXBKZVNLJA-UHFFFAOYSA-N 2 1 281.404 1.347 50 0 CDAAMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000888097908 617759616 /nfs/dbraw/zinc/75/96/16/617759616.db2.gz STOXAKAIDKXYLI-AWEZNQCLSA-N 3 1 294.447 1.139 50 0 CDAAMP CC(C)[NH2+]C1CCN(CCCc2[nH]cc[nH+]2)CC1 ZINC000952881658 910449307 /nfs/dbraw/zinc/44/93/07/910449307.db2.gz QRKFHGNNLHOGGQ-UHFFFAOYSA-N 2 1 250.390 1.805 50 0 CDAAMP CC1(C)CC(NCC[N@H+]2CCC[C@@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711115 926169578 /nfs/dbraw/zinc/16/95/78/926169578.db2.gz FLZKQWINHCIPKN-CQSZACIVSA-N 2 1 297.487 1.590 50 0 CDAAMP CC1(C)CC([NH2+]CCN2CCC[C@@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711115 926169580 /nfs/dbraw/zinc/16/95/80/926169580.db2.gz FLZKQWINHCIPKN-CQSZACIVSA-N 2 1 297.487 1.590 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001506397506 975148102 /nfs/dbraw/zinc/14/81/02/975148102.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001506397506 975148103 /nfs/dbraw/zinc/14/81/03/975148103.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001506397506 975148107 /nfs/dbraw/zinc/14/81/07/975148107.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001506397506 975148110 /nfs/dbraw/zinc/14/81/10/975148110.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 2 1 263.389 1.004 50 0 CDAAMP CCc1nccn1C[C@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428312 975162026 /nfs/dbraw/zinc/16/20/26/975162026.db2.gz PXFIOUNQOJRUBC-ZQDZILKHSA-N 2 1 276.428 1.573 50 0 CDAAMP CCc1nccn1C[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000584896030 349357216 /nfs/dbraw/zinc/35/72/16/349357216.db2.gz LGFMOHMSYUYQEX-GFCCVEGCSA-N 2 1 261.373 1.629 50 0 CDAAMP CC(C)c1cc(N(C)CCCc2[nH+]ccn2C)nc(N)[nH+]1 ZINC000095375247 358688375 /nfs/dbraw/zinc/68/83/75/358688375.db2.gz FXPYKVWLUXWMRP-UHFFFAOYSA-N 2 1 288.399 1.985 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(COC)CC1 ZINC000534648391 328343381 /nfs/dbraw/zinc/34/33/81/328343381.db2.gz LLRVMUAEWNTBNK-GFCCVEGCSA-N 2 1 251.374 1.850 50 0 CDAAMP CC(C)C[N@@H+]1CCCC[C@H]1CCNc1nnc(C[NH3+])o1 ZINC001772710007 1159444219 /nfs/dbraw/zinc/44/42/19/1159444219.db2.gz UCTYVCNECHWMMF-LBPRGKRZSA-N 2 1 281.404 1.841 50 0 CDAAMP CC(C)C[N@H+]1CCCC[C@H]1CCNc1nnc(C[NH3+])o1 ZINC001772710007 1159444221 /nfs/dbraw/zinc/44/42/21/1159444221.db2.gz UCTYVCNECHWMMF-LBPRGKRZSA-N 2 1 281.404 1.841 50 0 CDAAMP C[C@@H]1[C@H]2CCC[N@@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565181 688359446 /nfs/dbraw/zinc/35/94/46/688359446.db2.gz QATOXTAWNQLKAG-HZPDHXFCSA-N 2 1 295.471 1.513 50 0 CDAAMP C[C@@H]1[C@H]2CCC[N@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565181 688359456 /nfs/dbraw/zinc/35/94/56/688359456.db2.gz QATOXTAWNQLKAG-HZPDHXFCSA-N 2 1 295.471 1.513 50 0 CDAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)OCCC[C@H]2O ZINC000299777967 900264765 /nfs/dbraw/zinc/26/47/65/900264765.db2.gz CVUQGOPCPWLDQU-OAHLLOKOSA-N 2 1 293.411 1.588 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+][C@H]1CC[C@@H]([NH3+])CC1 ZINC001506399113 975149240 /nfs/dbraw/zinc/14/92/40/975149240.db2.gz ZCUFZRMOIASJCD-UPJWGTAASA-N 3 1 250.390 1.694 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CC[C@H](C[NH+](C)C)C2)c1Cl ZINC001506406776 975151673 /nfs/dbraw/zinc/15/16/73/975151673.db2.gz RQQLXLHNWUAELH-SECBINFHSA-N 2 1 269.780 1.409 50 0 CDAAMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436183 357472401 /nfs/dbraw/zinc/47/24/01/357472401.db2.gz WYSLSWFNDCYREB-ZIAGYGMSSA-N 2 1 267.417 1.319 50 0 CDAAMP CC[N@@H+](C)C[C@H](C)CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072422086 357833809 /nfs/dbraw/zinc/83/38/09/357833809.db2.gz OVZFJUQURSYGJQ-GFCCVEGCSA-N 2 1 291.443 1.473 50 0 CDAAMP CCc1ccc(C[N@H+]2CC[C@H](N3CCN(C)CC3)C2)nc1 ZINC000215485660 358891519 /nfs/dbraw/zinc/89/15/19/358891519.db2.gz ROESBPAAMSFGEH-KRWDZBQOSA-N 2 1 288.439 1.466 50 0 CDAAMP COc1cccc(C[N@H+]2CC[C@@H](O)C2)c1OCC[NH+](C)C ZINC000215671542 358898746 /nfs/dbraw/zinc/89/87/46/358898746.db2.gz PMKBGXRUJCHXOF-CQSZACIVSA-N 2 1 294.395 1.202 50 0 CDAAMP Cn1c(SCCc2[nH]cc[nH+]2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000426712759 360698735 /nfs/dbraw/zinc/69/87/35/360698735.db2.gz OJJUMMUBSOGVRW-SNVBAGLBSA-N 2 1 292.412 1.340 50 0 CDAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644595 369502747 /nfs/dbraw/zinc/50/27/47/369502747.db2.gz FPJPTROESSINCF-CYBMUJFWSA-N 2 1 285.395 1.903 50 0 CDAAMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCOC1 ZINC000097237597 375158219 /nfs/dbraw/zinc/15/82/19/375158219.db2.gz MRGQRPMHIAQTRD-DLBZAZTESA-N 2 1 290.407 1.522 50 0 CDAAMP CC[N@H+]1CCC[C@H]1CSc1nnc(C[NH2+]C)n1C ZINC000426433511 724076715 /nfs/dbraw/zinc/07/67/15/724076715.db2.gz BKROXLOGJPUOPN-JTQLQIEISA-N 2 1 269.418 1.111 50 0 CDAAMP CC[C@@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CC[N@H+]1C ZINC000065395803 724150751 /nfs/dbraw/zinc/15/07/51/724150751.db2.gz IXNVSTOELZHSGX-CYBMUJFWSA-N 2 1 289.427 1.004 50 0 CDAAMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000388826464 725139628 /nfs/dbraw/zinc/13/96/28/725139628.db2.gz WSQJXXIDWYWYTM-XZDPQHSOSA-N 2 1 260.381 1.563 50 0 CDAAMP Cn1nccc1C[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825661040 925878547 /nfs/dbraw/zinc/87/85/47/925878547.db2.gz YBFPLRDGDJHVMX-UHFFFAOYSA-N 2 1 262.401 1.776 50 0 CDAAMP C[C@@H](Cn1ccnc1)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584896518 349358138 /nfs/dbraw/zinc/35/81/38/349358138.db2.gz LBXAKDMITGSSEB-ZDUSSCGKSA-N 2 1 250.390 1.736 50 0 CDAAMP CCOC(=O)N1CC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000584888074 349346485 /nfs/dbraw/zinc/34/64/85/349346485.db2.gz XYBWXCHDSGRXRX-LBPRGKRZSA-N 2 1 266.345 1.012 50 0 CDAAMP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](C)CC1 ZINC000092046105 180310834 /nfs/dbraw/zinc/31/08/34/180310834.db2.gz FMYNLKVELRESNE-UHFFFAOYSA-N 2 1 288.399 1.660 50 0 CDAAMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(OC)c1 ZINC000016663241 357531567 /nfs/dbraw/zinc/53/15/67/357531567.db2.gz PRZRZTXSOFKCNJ-UHFFFAOYSA-N 2 1 264.369 1.888 50 0 CDAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@H](C)Cn1cncn1 ZINC000067676508 357617465 /nfs/dbraw/zinc/61/74/65/357617465.db2.gz OHKZLTHVAFFTPC-CYBMUJFWSA-N 2 1 296.378 1.951 50 0 CDAAMP CSc1cccc(C[N@H+](C)C[C@]2(O)CC[NH2+]C2)c1 ZINC000072468363 357837187 /nfs/dbraw/zinc/83/71/87/357837187.db2.gz MUHFCTSYFSFNMG-AWEZNQCLSA-N 2 1 266.410 1.565 50 0 CDAAMP CSc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH2+]C2)c1 ZINC000072468363 357837189 /nfs/dbraw/zinc/83/71/89/357837189.db2.gz MUHFCTSYFSFNMG-AWEZNQCLSA-N 2 1 266.410 1.565 50 0 CDAAMP C[NH+](C)CC(C)(C)C[N@@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299761742 372746984 /nfs/dbraw/zinc/74/69/84/372746984.db2.gz YVUPCVCRLZRFFY-UONOGXRCSA-N 2 1 293.415 1.012 50 0 CDAAMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299761742 372746988 /nfs/dbraw/zinc/74/69/88/372746988.db2.gz YVUPCVCRLZRFFY-UONOGXRCSA-N 2 1 293.415 1.012 50 0 CDAAMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC3CCC3)C2)CC1 ZINC000104376994 397942474 /nfs/dbraw/zinc/94/24/74/397942474.db2.gz PNBQRUDBVSWRIF-MRXNPFEDSA-N 2 1 265.445 1.888 50 0 CDAAMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC3CCC3)C2)CC1 ZINC000104376994 397942477 /nfs/dbraw/zinc/94/24/77/397942477.db2.gz PNBQRUDBVSWRIF-MRXNPFEDSA-N 2 1 265.445 1.888 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000670443009 482990189 /nfs/dbraw/zinc/99/01/89/482990189.db2.gz JGGAAAIOURIQGK-OAHLLOKOSA-N 2 1 278.400 1.294 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000670443009 482990197 /nfs/dbraw/zinc/99/01/97/482990197.db2.gz JGGAAAIOURIQGK-OAHLLOKOSA-N 2 1 278.400 1.294 50 0 CDAAMP Cc1cccc(NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000097096677 567903979 /nfs/dbraw/zinc/90/39/79/567903979.db2.gz LQKNXFOEUVJOQB-UHFFFAOYSA-N 2 1 298.394 1.414 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000828827575 926194211 /nfs/dbraw/zinc/19/42/11/926194211.db2.gz GJTVCIWCBGZKFV-LBPRGKRZSA-N 2 1 259.353 1.862 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001506397505 975147711 /nfs/dbraw/zinc/14/77/11/975147711.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001506397505 975147714 /nfs/dbraw/zinc/14/77/14/975147714.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001506397505 975147716 /nfs/dbraw/zinc/14/77/16/975147716.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 2 1 263.389 1.004 50 0 CDAAMP Cc1nncn1CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001506397505 975147719 /nfs/dbraw/zinc/14/77/19/975147719.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 2 1 263.389 1.004 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001506396901 975148020 /nfs/dbraw/zinc/14/80/20/975148020.db2.gz ONUSJHJZNLICPZ-JHJVBQTASA-N 2 1 251.374 1.727 50 0 CDAAMP C[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1 ZINC000096945836 185135561 /nfs/dbraw/zinc/13/55/61/185135561.db2.gz WKNCBMRSJIEXIG-UHFFFAOYSA-N 2 1 269.389 1.291 50 0 CDAAMP CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000097234185 342205386 /nfs/dbraw/zinc/20/53/86/342205386.db2.gz FOPKWEDFJCODFN-LLVKDONJSA-N 2 1 282.775 1.121 50 0 CDAAMP CCc1c(C)[nH+]c(N)nc1NCC[N@H+]1CCC[C@H](CO)C1 ZINC000091426970 180152394 /nfs/dbraw/zinc/15/23/94/180152394.db2.gz WCULDFLVNNAYGI-LBPRGKRZSA-N 2 1 293.415 1.046 50 0 CDAAMP Cc1nnc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000247101340 356651810 /nfs/dbraw/zinc/65/18/10/356651810.db2.gz IEJXQQYEQRQNOH-RYUDHWBXSA-N 2 1 296.415 1.464 50 0 CDAAMP Cc1nnc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000247101340 356651811 /nfs/dbraw/zinc/65/18/11/356651811.db2.gz IEJXQQYEQRQNOH-RYUDHWBXSA-N 2 1 296.415 1.464 50 0 CDAAMP COc1cc(NC(=[NH2+])NC(N)=[NH2+])c(OC)cc1Cl ZINC000000569252 357267126 /nfs/dbraw/zinc/26/71/26/357267126.db2.gz QAEAOPAEELIHIZ-UHFFFAOYSA-N 2 1 271.708 1.187 50 0 CDAAMP CCCCSc1nc(NC[C@]2(O)CC[NH2+]C2)cc(N)[nH+]1 ZINC000095387430 358691285 /nfs/dbraw/zinc/69/12/85/358691285.db2.gz HZSAPSOVKDRWKL-ZDUSSCGKSA-N 2 1 297.428 1.087 50 0 CDAAMP CCCCSc1nc(N)cc(NC[C@]2(O)CC[NH2+]C2)[nH+]1 ZINC000095387430 358691287 /nfs/dbraw/zinc/69/12/87/358691287.db2.gz HZSAPSOVKDRWKL-ZDUSSCGKSA-N 2 1 297.428 1.087 50 0 CDAAMP Cc1nc(CC[N@@H+](C)CC(C)(C)C[NH+]2CCCC2)no1 ZINC000215900609 375652476 /nfs/dbraw/zinc/65/24/76/375652476.db2.gz YDVVYGPEKLCAPE-UHFFFAOYSA-N 2 1 280.416 1.974 50 0 CDAAMP Cc1nc(CC[N@H+](C)CC(C)(C)C[NH+]2CCCC2)no1 ZINC000215900609 375652481 /nfs/dbraw/zinc/65/24/81/375652481.db2.gz YDVVYGPEKLCAPE-UHFFFAOYSA-N 2 1 280.416 1.974 50 0 CDAAMP CN1CC[N@@H+](C)C[C@@H]1CC[NH+](C)Cc1ccccc1 ZINC000020638187 171268614 /nfs/dbraw/zinc/26/86/14/171268614.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 2 1 261.413 1.754 50 0 CDAAMP CN1CC[NH+](C)C[C@@H]1CC[N@H+](C)Cc1ccccc1 ZINC000020638187 171268616 /nfs/dbraw/zinc/26/86/16/171268616.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 2 1 261.413 1.754 50 0 CDAAMP CN1CC[NH+](C)C[C@@H]1CC[N@@H+](C)Cc1ccccc1 ZINC000020638187 171268618 /nfs/dbraw/zinc/26/86/18/171268618.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 2 1 261.413 1.754 50 0 CDAAMP CC(C)(CN1CCOCC1)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000032553362 1161074762 /nfs/dbraw/zinc/07/47/62/1161074762.db2.gz VTBFXLWMELDWQV-OAHLLOKOSA-N 2 1 283.460 1.406 50 0 CDAAMP C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@@H]1[NH3+] ZINC000757216245 574908180 /nfs/dbraw/zinc/90/81/80/574908180.db2.gz ZLMYRHUJGGZDCW-KAMPLNKDSA-N 2 1 265.323 1.242 50 0 CDAAMP OC[C@@H]1CCC[N@@H+](CCCNCc2cnccc2Cl)C1 ZINC000952868538 910417827 /nfs/dbraw/zinc/41/78/27/910417827.db2.gz BQBJBSDVUAFBNU-CYBMUJFWSA-N 2 1 297.830 1.919 50 0 CDAAMP C[C@@H](CS(C)(=O)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000821740679 925590615 /nfs/dbraw/zinc/59/06/15/925590615.db2.gz YCTHRDWWLZQORB-ZDUSSCGKSA-N 2 1 288.457 1.227 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000821751095 925594085 /nfs/dbraw/zinc/59/40/85/925594085.db2.gz FVOCEUJMMVOGSE-AWEZNQCLSA-N 2 1 264.417 1.996 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000821751095 925594090 /nfs/dbraw/zinc/59/40/90/925594090.db2.gz FVOCEUJMMVOGSE-AWEZNQCLSA-N 2 1 264.417 1.996 50 0 CDAAMP c1ccc(N2CC[C@@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)C2)cc1 ZINC001506411272 975154607 /nfs/dbraw/zinc/15/46/07/975154607.db2.gz PIDUZWHHSWHDRW-SFFUCWETSA-N 2 1 283.419 1.948 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCOC[C@H](C[NH+](C)C)C2)c1Cl ZINC001506415367 975155825 /nfs/dbraw/zinc/15/58/25/975155825.db2.gz XOUDWSOMHZNUCY-SNVBAGLBSA-N 2 1 299.806 1.035 50 0 CDAAMP CC(C)=CC[N@H+]1CCN(Cc2c[nH]c(C)n2)C[C@H]1CCO ZINC000039447290 356973438 /nfs/dbraw/zinc/97/34/38/356973438.db2.gz FKHXLCLVMVTHCZ-MRXNPFEDSA-N 2 1 292.427 1.553 50 0 CDAAMP C[N@H+]1CCC[C@@H]1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000097436785 358776117 /nfs/dbraw/zinc/77/61/17/358776117.db2.gz MOJJJMKLLHDEFG-CQSZACIVSA-N 2 1 261.369 1.246 50 0 CDAAMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000248112964 360368395 /nfs/dbraw/zinc/36/83/95/360368395.db2.gz HTPMOOZFFMXGEA-HZPDHXFCSA-N 2 1 293.455 1.948 50 0 CDAAMP CC[NH+](CC)CC1(NC(=O)[C@@H](C)n2cc[nH+]c2C)CC1 ZINC000426511568 360678626 /nfs/dbraw/zinc/67/86/26/360678626.db2.gz FEQUVORSKVQMEI-GFCCVEGCSA-N 2 1 278.400 1.743 50 0 CDAAMP CC(C)[N@H+]1CCC[C@@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426478134 360674018 /nfs/dbraw/zinc/67/40/18/360674018.db2.gz QYUQTLFBQBPDAO-GFCCVEGCSA-N 2 1 264.373 1.189 50 0 CDAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000037644198 369503943 /nfs/dbraw/zinc/50/39/43/369503943.db2.gz SMDDEGILIDQYQJ-ZDUSSCGKSA-N 2 1 285.391 1.960 50 0 CDAAMP C[NH+](C)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000003683608 375781637 /nfs/dbraw/zinc/78/16/37/375781637.db2.gz BXNZKYSFVBMRQS-AGUYFDCRSA-N 2 1 253.434 1.789 50 0 CDAAMP C[NH+](C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000003683608 375781647 /nfs/dbraw/zinc/78/16/47/375781647.db2.gz BXNZKYSFVBMRQS-AGUYFDCRSA-N 3 1 253.434 1.789 50 0 CDAAMP C[NH+](C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000003683608 375781651 /nfs/dbraw/zinc/78/16/51/375781651.db2.gz BXNZKYSFVBMRQS-AGUYFDCRSA-N 3 1 253.434 1.789 50 0 CDAAMP CSCC[NH+]1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000670441819 482987082 /nfs/dbraw/zinc/98/70/82/482987082.db2.gz IBLPUINYRKJADS-UHFFFAOYSA-N 2 1 299.484 1.370 50 0 CDAAMP C[C@@H](C[N@H+]1CCc2ccccc2C1)Nc1nnc(CN)o1 ZINC001772709114 1159443112 /nfs/dbraw/zinc/44/31/12/1159443112.db2.gz HVDBAHCUGZUDFQ-NSHDSACASA-N 2 1 287.367 1.387 50 0 CDAAMP Cc1ncc2c(c1-c1noc(C[NH+]3CCCC3)n1)CC[NH2+]C2 ZINC000020773754 731476995 /nfs/dbraw/zinc/47/69/95/731476995.db2.gz NGLVKBJUWYYRFO-UHFFFAOYSA-N 2 1 299.378 1.682 50 0 CDAAMP Cc1[nH+]c(N(C)C)nc(NCC[N@H+]2CCC[C@@H](O)C2)c1C ZINC000032593201 733036260 /nfs/dbraw/zinc/03/62/60/733036260.db2.gz LPDWKQNCMXNUQY-CYBMUJFWSA-N 2 1 293.415 1.028 50 0 CDAAMP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000823795801 925733206 /nfs/dbraw/zinc/73/32/06/925733206.db2.gz WMZFMNRDVLKEMA-CYBMUJFWSA-N 2 1 253.390 1.025 50 0 CDAAMP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC000823795801 925733212 /nfs/dbraw/zinc/73/32/12/925733212.db2.gz WMZFMNRDVLKEMA-CYBMUJFWSA-N 2 1 253.390 1.025 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+]C2CSCCSC2)C1 ZINC000824412470 925820306 /nfs/dbraw/zinc/82/03/06/925820306.db2.gz WEWGTKZMKDEOKA-GFCCVEGCSA-N 2 1 290.498 1.393 50 0 CDAAMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C ZINC000585139879 342218586 /nfs/dbraw/zinc/21/85/86/342218586.db2.gz GXSHNWUNOQWPRM-PWSUYJOCSA-N 2 1 274.368 1.841 50 0 CDAAMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@H+]1C ZINC000585139879 342218587 /nfs/dbraw/zinc/21/85/87/342218587.db2.gz GXSHNWUNOQWPRM-PWSUYJOCSA-N 2 1 274.368 1.841 50 0 CDAAMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000106635629 186130514 /nfs/dbraw/zinc/13/05/14/186130514.db2.gz ITFFBABVSSASEZ-AWEZNQCLSA-N 2 1 290.411 1.303 50 0 CDAAMP CNc1cc[nH+]c(N(C)C[C@@H]2CCC[N@H+](CCOC)C2)n1 ZINC000065396811 357536485 /nfs/dbraw/zinc/53/64/85/357536485.db2.gz JYUKITHCNMJTRX-ZDUSSCGKSA-N 2 1 293.415 1.313 50 0 CDAAMP CNc1cc[nH+]c(N(C)C[C@@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000065396811 357536489 /nfs/dbraw/zinc/53/64/89/357536489.db2.gz JYUKITHCNMJTRX-ZDUSSCGKSA-N 2 1 293.415 1.313 50 0 CDAAMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738947 283322114 /nfs/dbraw/zinc/32/21/14/283322114.db2.gz ISYQZVAYSSWJKE-OLZOCXBDSA-N 2 1 253.390 1.058 50 0 CDAAMP CCCCSc1nc(N[C@@H]2CC[NH2+]C[C@H]2O)cc(N)[nH+]1 ZINC000095360386 358684261 /nfs/dbraw/zinc/68/42/61/358684261.db2.gz VRJRQOMIHRKRIA-NXEZZACHSA-N 2 1 297.428 1.086 50 0 CDAAMP CCCCSc1nc(N)cc(N[C@@H]2CC[NH2+]C[C@H]2O)[nH+]1 ZINC000095360386 358684264 /nfs/dbraw/zinc/68/42/64/358684264.db2.gz VRJRQOMIHRKRIA-NXEZZACHSA-N 2 1 297.428 1.086 50 0 CDAAMP CSc1ncc(C[N@@H+](C)CCCc2nccn2C)cn1 ZINC000216405279 358944147 /nfs/dbraw/zinc/94/41/47/358944147.db2.gz QYYDICONCZJZMU-UHFFFAOYSA-N 2 1 291.424 1.997 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000262670354 359278600 /nfs/dbraw/zinc/27/86/00/359278600.db2.gz NLRHAMHFAWGMPF-SYQHCUMBSA-N 2 1 267.417 1.303 50 0 CDAAMP COC[C@H]1C[N@H+](CCCc2cnccc2C)CCO1 ZINC000377544274 371573048 /nfs/dbraw/zinc/57/30/48/371573048.db2.gz UIYOOSJMPPMMAD-OAHLLOKOSA-N 2 1 264.369 1.670 50 0 CDAAMP CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000251265468 392558473 /nfs/dbraw/zinc/55/84/73/392558473.db2.gz OFXRXVXZBXEYJF-KCQAQPDRSA-N 2 1 265.401 1.262 50 0 CDAAMP CC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000096499748 393188008 /nfs/dbraw/zinc/18/80/08/393188008.db2.gz FPYGLYJUZHQGFG-VFSICIBPSA-N 2 1 281.444 1.000 50 0 CDAAMP CCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035686535 172354259 /nfs/dbraw/zinc/35/42/59/172354259.db2.gz AUUXFJKBQQASPH-HNNXBMFYSA-N 2 1 275.396 1.458 50 0 CDAAMP COc1c(C)c[nH+]c(Cn2cc(C(C)(C)[NH3+])nn2)c1C ZINC000070118593 424393165 /nfs/dbraw/zinc/39/31/65/424393165.db2.gz HERBELMNKYRGAW-UHFFFAOYSA-N 2 1 275.356 1.541 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037678 288103150 /nfs/dbraw/zinc/10/31/50/288103150.db2.gz QSJBCARSVWVSQO-VNHYZAJKSA-N 2 1 279.432 1.585 50 0 CDAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000426571532 279174020 /nfs/dbraw/zinc/17/40/20/279174020.db2.gz ARMJSHOPROFZIJ-ZDUSSCGKSA-N 2 1 278.400 1.745 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000263233621 290391339 /nfs/dbraw/zinc/39/13/39/290391339.db2.gz CWUPRYNTXJDKPD-QWHCGFSZSA-N 2 1 253.390 1.058 50 0 CDAAMP CO[C@H]1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1Cc1cc(C)no1 ZINC001529106897 968980456 /nfs/dbraw/zinc/98/04/56/968980456.db2.gz SZZYBFDSSOEXEC-DOMZBBRYSA-N 2 1 279.384 1.224 50 0 CDAAMP CO[C@H]1C[N@H+](C2CC[NH2+]CC2)C[C@H]1Cc1cc(C)no1 ZINC001529106897 968980470 /nfs/dbraw/zinc/98/04/70/968980470.db2.gz SZZYBFDSSOEXEC-DOMZBBRYSA-N 2 1 279.384 1.224 50 0 CDAAMP CC(C)C[N@@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC001529186594 969006730 /nfs/dbraw/zinc/00/67/30/969006730.db2.gz IPCVSXUEAWHNCQ-UHFFFAOYSA-N 2 1 264.417 1.626 50 0 CDAAMP CC(C)C[N@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC001529186594 969006742 /nfs/dbraw/zinc/00/67/42/969006742.db2.gz IPCVSXUEAWHNCQ-UHFFFAOYSA-N 2 1 264.417 1.626 50 0 CDAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C ZINC000585139880 342218529 /nfs/dbraw/zinc/21/85/29/342218529.db2.gz GXSHNWUNOQWPRM-ZYHUDNBSSA-N 2 1 274.368 1.841 50 0 CDAAMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@H+]1C ZINC000585139880 342218530 /nfs/dbraw/zinc/21/85/30/342218530.db2.gz GXSHNWUNOQWPRM-ZYHUDNBSSA-N 2 1 274.368 1.841 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000084290894 362262575 /nfs/dbraw/zinc/26/25/75/362262575.db2.gz OUOANNBKQBKLME-CYBMUJFWSA-N 2 1 264.373 1.134 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000084290894 362262577 /nfs/dbraw/zinc/26/25/77/362262577.db2.gz OUOANNBKQBKLME-CYBMUJFWSA-N 2 1 264.373 1.134 50 0 CDAAMP CC(C)[NH2+]CCN1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000193481594 362922469 /nfs/dbraw/zinc/92/24/69/362922469.db2.gz OIGZBKKQNGCYEP-AWEZNQCLSA-N 2 1 264.417 1.673 50 0 CDAAMP Cc1cc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)nc(N)[nH+]1 ZINC000091645717 180214681 /nfs/dbraw/zinc/21/46/81/180214681.db2.gz LHISOBJQTQENMF-ZIAGYGMSSA-N 2 1 287.411 1.678 50 0 CDAAMP CC[N@@H+]1CCC[C@](O)(C[NH+]2CCCC[C@H]2CCO)C1 ZINC000105966634 186095104 /nfs/dbraw/zinc/09/51/04/186095104.db2.gz MTPYSZIMCYAYGJ-LSDHHAIUSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[N@H+]1CCC[C@](O)(C[NH+]2CCCC[C@H]2CCO)C1 ZINC000105966634 186095105 /nfs/dbraw/zinc/09/51/05/186095105.db2.gz MTPYSZIMCYAYGJ-LSDHHAIUSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[NH+]1CCC[C@](O)(C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000105966634 186095107 /nfs/dbraw/zinc/09/51/07/186095107.db2.gz MTPYSZIMCYAYGJ-LSDHHAIUSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[NH+]1CCC[C@](O)(C[N@H+]2CCCC[C@H]2CCO)C1 ZINC000105966634 186095109 /nfs/dbraw/zinc/09/51/09/186095109.db2.gz MTPYSZIMCYAYGJ-LSDHHAIUSA-N 2 1 270.417 1.070 50 0 CDAAMP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000002541472 355974607 /nfs/dbraw/zinc/97/46/07/355974607.db2.gz FWXFHIGFBZXEOP-NSHDSACASA-N 2 1 269.389 1.337 50 0 CDAAMP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000002541472 355974609 /nfs/dbraw/zinc/97/46/09/355974609.db2.gz FWXFHIGFBZXEOP-NSHDSACASA-N 2 1 269.389 1.337 50 0 CDAAMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396854 357116091 /nfs/dbraw/zinc/11/60/91/357116091.db2.gz FDKWJESCJJZBQU-KGLIPLIRSA-N 2 1 298.452 1.509 50 0 CDAAMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000262661896 357541282 /nfs/dbraw/zinc/54/12/82/357541282.db2.gz GLOAGJCUJXZTHD-JHJVBQTASA-N 2 1 253.390 1.070 50 0 CDAAMP CCCCSc1nc(NC[C@@]2(O)CC[NH2+]C2)cc(N)[nH+]1 ZINC000095387431 358691490 /nfs/dbraw/zinc/69/14/90/358691490.db2.gz HZSAPSOVKDRWKL-CYBMUJFWSA-N 2 1 297.428 1.087 50 0 CDAAMP CCCCSc1nc(N)cc(NC[C@@]2(O)CC[NH2+]C2)[nH+]1 ZINC000095387431 358691492 /nfs/dbraw/zinc/69/14/92/358691492.db2.gz HZSAPSOVKDRWKL-CYBMUJFWSA-N 2 1 297.428 1.087 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)N1CC([NH+]2CCCCC2)C1 ZINC000222986915 359390689 /nfs/dbraw/zinc/39/06/89/359390689.db2.gz SHIKHCCPYGHQSX-UHFFFAOYSA-N 2 1 290.411 1.532 50 0 CDAAMP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000037826978 359454407 /nfs/dbraw/zinc/45/44/07/359454407.db2.gz HQVMTZUPACFWJL-UHFFFAOYSA-N 2 1 259.353 1.066 50 0 CDAAMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763894 373788094 /nfs/dbraw/zinc/78/80/94/373788094.db2.gz YQIDEMBTRCSHNZ-HNNXBMFYSA-N 2 1 290.411 1.826 50 0 CDAAMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC000096432439 390519905 /nfs/dbraw/zinc/51/99/05/390519905.db2.gz CGNDGKDKDDMTFE-CYBMUJFWSA-N 2 1 255.406 1.127 50 0 CDAAMP C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@H]([NH3+])C1 ZINC000757209121 577035787 /nfs/dbraw/zinc/03/57/87/577035787.db2.gz FYDKCBZQGYYGEM-UNQZSWDGSA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@@H]([NH3+])C1 ZINC000757209112 577035833 /nfs/dbraw/zinc/03/58/33/577035833.db2.gz FYDKCBZQGYYGEM-HPENLJRUSA-N 2 1 265.323 1.242 50 0 CDAAMP CC[C@H]1CN(c2nnc(C(C)(C)[NH3+])o2)CC[N@H+]1C(C)C ZINC001772707145 1159441604 /nfs/dbraw/zinc/44/16/04/1159441604.db2.gz WLDXUYWVEUCIPL-NSHDSACASA-N 2 1 281.404 1.572 50 0 CDAAMP CCC[C@H]1C[N@H+](CCCn2nc(C)cc2C)C[C@@H]1[NH3+] ZINC000091645037 736447607 /nfs/dbraw/zinc/44/76/07/736447607.db2.gz WNYDYGPZXAOYCK-GJZGRUSLSA-N 2 1 264.417 1.949 50 0 CDAAMP C[C@@H](C[N@@H+](C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428258 975162037 /nfs/dbraw/zinc/16/20/37/975162037.db2.gz YOUWQRQYCJJPOD-LBPRGKRZSA-N 2 1 271.449 1.198 50 0 CDAAMP C[C@@H](CN(C)CCO)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428258 975162038 /nfs/dbraw/zinc/16/20/38/975162038.db2.gz YOUWQRQYCJJPOD-LBPRGKRZSA-N 2 1 271.449 1.198 50 0 CDAAMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000019225409 356477983 /nfs/dbraw/zinc/47/79/83/356477983.db2.gz ZCFWWTKTZWQHDT-ZDUSSCGKSA-N 2 1 279.428 1.461 50 0 CDAAMP CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000019225409 356477985 /nfs/dbraw/zinc/47/79/85/356477985.db2.gz ZCFWWTKTZWQHDT-ZDUSSCGKSA-N 2 1 279.428 1.461 50 0 CDAAMP CCc1cccc(OCCOCC[NH2+]CC[NH3+])c1 ZINC000020118666 356526151 /nfs/dbraw/zinc/52/61/51/356526151.db2.gz BCTIEGXUBGRZOM-UHFFFAOYSA-N 2 1 252.358 1.193 50 0 CDAAMP CN(C)[C@H]1CCCC[N@@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244872995 361056080 /nfs/dbraw/zinc/05/60/80/361056080.db2.gz WIDKYNYXIGBYFB-ZNMIVQPWSA-N 2 1 253.434 1.920 50 0 CDAAMP C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000037887392 374818286 /nfs/dbraw/zinc/81/82/86/374818286.db2.gz PTSKDJMDPNHXBI-AWEZNQCLSA-N 2 1 252.333 1.543 50 0 CDAAMP C[C@H](C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1)N1CCOCC1 ZINC000244887822 377798765 /nfs/dbraw/zinc/79/87/65/377798765.db2.gz YPDCGROXAXZILZ-KFWWJZLASA-N 2 1 269.433 1.156 50 0 CDAAMP CC[C@@]1(CO)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192841599 392228891 /nfs/dbraw/zinc/22/88/91/392228891.db2.gz GVTFDKSWWCDIFQ-KRWDZBQOSA-N 2 1 297.487 1.639 50 0 CDAAMP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000262691703 149097881 /nfs/dbraw/zinc/09/78/81/149097881.db2.gz AOWSAMLAZCKPTC-KGLIPLIRSA-N 2 1 275.396 1.457 50 0 CDAAMP Cc1cc(C(F)(F)F)cc(N2CCO[C@H](C[NH3+])C2)[nH+]1 ZINC000534577307 328310487 /nfs/dbraw/zinc/31/04/87/328310487.db2.gz NSFWXMKQNNWKEL-SNVBAGLBSA-N 2 1 275.274 1.573 50 0 CDAAMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484357 534389325 /nfs/dbraw/zinc/38/93/25/534389325.db2.gz CTUMWRFFXBTOBG-GVDBMIGSSA-N 2 1 274.408 1.979 50 0 CDAAMP C[C@@H]1[C@@H]2CCC[N@@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565177 742384071 /nfs/dbraw/zinc/38/40/71/742384071.db2.gz QATOXTAWNQLKAG-CVEARBPZSA-N 2 1 295.471 1.513 50 0 CDAAMP C[C@@H]1[C@@H]2CCC[N@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565177 742384078 /nfs/dbraw/zinc/38/40/78/742384078.db2.gz QATOXTAWNQLKAG-CVEARBPZSA-N 2 1 295.471 1.513 50 0 CDAAMP CCSCC[N@@H+]1CCC[C@@](CO)(C[NH+](C)C)C1 ZINC001506400254 975149404 /nfs/dbraw/zinc/14/94/04/975149404.db2.gz BGCDYONHSBOFML-CYBMUJFWSA-N 2 1 260.447 1.376 50 0 CDAAMP CCSCC[N@H+]1CCC[C@@](CO)(C[NH+](C)C)C1 ZINC001506400254 975149406 /nfs/dbraw/zinc/14/94/06/975149406.db2.gz BGCDYONHSBOFML-CYBMUJFWSA-N 2 1 260.447 1.376 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000095967158 185046281 /nfs/dbraw/zinc/04/62/81/185046281.db2.gz NPDZWCSZJGERSL-ZIAGYGMSSA-N 2 1 267.417 1.319 50 0 CDAAMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000685939633 539045742 /nfs/dbraw/zinc/04/57/42/539045742.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 2 1 293.455 1.659 50 0 CDAAMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000685939633 539045743 /nfs/dbraw/zinc/04/57/43/539045743.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 2 1 293.455 1.659 50 0 CDAAMP CC(C)C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000685939633 539045744 /nfs/dbraw/zinc/04/57/44/539045744.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 2 1 293.455 1.659 50 0 CDAAMP CCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000096026640 351475652 /nfs/dbraw/zinc/47/56/52/351475652.db2.gz JZSCQRCFXATNGX-SNVBAGLBSA-N 2 1 265.748 1.916 50 0 CDAAMP Cc1cc(Br)ccc1OCC[NH2+]CC[NH3+] ZINC000020118487 356526126 /nfs/dbraw/zinc/52/61/26/356526126.db2.gz RBDBBGRXGCIGIN-UHFFFAOYSA-N 2 1 273.174 1.685 50 0 CDAAMP C[N@@H+](CCOc1cccc(C[NH3+])c1)C1CCOCC1 ZINC000036320525 356870447 /nfs/dbraw/zinc/87/04/47/356870447.db2.gz ZEQBVRQJFANGJA-UHFFFAOYSA-N 2 1 264.369 1.635 50 0 CDAAMP CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067784799 357627819 /nfs/dbraw/zinc/62/78/19/357627819.db2.gz VWCSGZFORBMPIH-HNNXBMFYSA-N 2 1 276.384 1.048 50 0 CDAAMP CC[N@@H+]1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189011 359529633 /nfs/dbraw/zinc/52/96/33/359529633.db2.gz HCDSPCDHEQCHQC-CYBMUJFWSA-N 2 1 294.399 1.219 50 0 CDAAMP CC[N@H+]1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189011 359529637 /nfs/dbraw/zinc/52/96/37/359529637.db2.gz HCDSPCDHEQCHQC-CYBMUJFWSA-N 2 1 294.399 1.219 50 0 CDAAMP Cn1cncc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000112716397 374228104 /nfs/dbraw/zinc/22/81/04/374228104.db2.gz JFCFDCXQHWFSTN-UHFFFAOYSA-N 2 1 250.390 1.819 50 0 CDAAMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc2c1OCO2 ZINC000108428678 412829092 /nfs/dbraw/zinc/82/90/92/412829092.db2.gz XRNRBXVSVMCXSL-LBPRGKRZSA-N 2 1 292.379 1.855 50 0 CDAAMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc2c1OCO2 ZINC000108428678 412829094 /nfs/dbraw/zinc/82/90/94/412829094.db2.gz XRNRBXVSVMCXSL-LBPRGKRZSA-N 2 1 292.379 1.855 50 0 CDAAMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000299740135 375201193 /nfs/dbraw/zinc/20/11/93/375201193.db2.gz WEEYJRVVIVIRKZ-DZGCQCFKSA-N 2 1 275.396 1.487 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C)C1 ZINC000261940557 285393959 /nfs/dbraw/zinc/39/39/59/285393959.db2.gz NDOWNQCNCHVZFE-ZNMIVQPWSA-N 2 1 293.455 1.565 50 0 CDAAMP COCC[N@H+](Cc1ccc(C)s1)C[C@]1(O)CC[NH2+]C1 ZINC000077407620 177263763 /nfs/dbraw/zinc/26/37/63/177263763.db2.gz GPNVOLGOMSEJJI-AWEZNQCLSA-N 2 1 284.425 1.229 50 0 CDAAMP COCC[N@@H+](Cc1ccc(C)s1)C[C@]1(O)CC[NH2+]C1 ZINC000077407620 177263765 /nfs/dbraw/zinc/26/37/65/177263765.db2.gz GPNVOLGOMSEJJI-AWEZNQCLSA-N 2 1 284.425 1.229 50 0 CDAAMP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676483 279174535 /nfs/dbraw/zinc/17/45/35/279174535.db2.gz SKTDUHDYOZTILC-AGIUHOORSA-N 2 1 255.406 1.301 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000092629550 279299604 /nfs/dbraw/zinc/29/96/04/279299604.db2.gz GPAZVHSRZKTBAT-HZSPNIEDSA-N 2 1 267.417 1.447 50 0 CDAAMP Cc1cccc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)n1 ZINC000534634247 328333219 /nfs/dbraw/zinc/33/32/19/328333219.db2.gz XAOYXSUCNPMCNK-GEEKYZPCSA-N 2 1 257.381 1.615 50 0 CDAAMP CC[C@@H](C(=O)NCC[NH+]1CCCCC1)[N@@H+](C)CC ZINC000822555076 1161928795 /nfs/dbraw/zinc/92/87/95/1161928795.db2.gz JIBHGDVYFVSPNW-ZDUSSCGKSA-N 2 1 255.406 1.319 50 0 CDAAMP [NH3+]C[C@@H]1C[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)CC[NH2+]1 ZINC000757207444 577035793 /nfs/dbraw/zinc/03/57/93/577035793.db2.gz BEYZMBORRMATFB-VPOLOUISSA-N 2 1 265.323 1.244 50 0 CDAAMP C[C@H]1[C@@H]2CCC[N@@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565179 746881557 /nfs/dbraw/zinc/88/15/57/746881557.db2.gz QATOXTAWNQLKAG-HOTGVXAUSA-N 2 1 295.471 1.513 50 0 CDAAMP C[C@H]1[C@@H]2CCC[N@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565179 746881561 /nfs/dbraw/zinc/88/15/61/746881561.db2.gz QATOXTAWNQLKAG-HOTGVXAUSA-N 2 1 295.471 1.513 50 0 CDAAMP Cc1nc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cs1 ZINC000072128068 747015577 /nfs/dbraw/zinc/01/55/77/747015577.db2.gz CNSAJHZRHXMHPQ-CQSZACIVSA-N 2 1 283.441 1.730 50 0 CDAAMP Cc1nc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)cs1 ZINC000072128068 747015580 /nfs/dbraw/zinc/01/55/80/747015580.db2.gz CNSAJHZRHXMHPQ-CQSZACIVSA-N 2 1 283.441 1.730 50 0 CDAAMP C/C=C(\C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000820390619 925521730 /nfs/dbraw/zinc/52/17/30/925521730.db2.gz SEUYDHDGYNLQKG-RNSFGAQFSA-N 2 1 293.455 1.877 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000825297064 925863283 /nfs/dbraw/zinc/86/32/83/925863283.db2.gz PUMXMVMAVWQLJU-UHFFFAOYSA-N 2 1 277.416 1.442 50 0 CDAAMP Cn1cncc1C[NH+]1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219877203 230396945 /nfs/dbraw/zinc/39/69/45/230396945.db2.gz MUVBXFVQJBVPNQ-UHFFFAOYSA-N 2 1 292.427 1.090 50 0 CDAAMP Cc1[nH+]ccn1CC[NH2+]C1CSCCSC1 ZINC000584904063 341994072 /nfs/dbraw/zinc/99/40/72/341994072.db2.gz LNTLKNRODCVTRO-UHFFFAOYSA-N 2 1 257.428 1.630 50 0 CDAAMP CCOc1ccc(OCCOCC[NH2+]CC[NH3+])cc1 ZINC000020118734 356525683 /nfs/dbraw/zinc/52/56/83/356525683.db2.gz NKTJMGQRJCLSSO-UHFFFAOYSA-N 2 1 268.357 1.029 50 0 CDAAMP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000095358489 358684632 /nfs/dbraw/zinc/68/46/32/358684632.db2.gz GWHYWIGZRJAZIC-ZDUSSCGKSA-N 2 1 278.400 1.780 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000107515536 412800414 /nfs/dbraw/zinc/80/04/14/412800414.db2.gz GDILOLXJPWOZLM-FRRDWIJNSA-N 2 1 291.361 1.839 50 0 CDAAMP O[C@@]1(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000072407986 176397693 /nfs/dbraw/zinc/39/76/93/176397693.db2.gz SSBRBXOPDPGDLY-INIZCTEOSA-N 2 1 293.386 1.062 50 0 CDAAMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000106781145 290085076 /nfs/dbraw/zinc/08/50/76/290085076.db2.gz CIABAOWNNOOJIL-GOEBONIOSA-N 2 1 284.444 1.580 50 0 CDAAMP C[C@@H](CC[N@H+](C)CCc1nccn1C)[NH+]1CCCC1 ZINC001506395092 908870939 /nfs/dbraw/zinc/87/09/39/908870939.db2.gz CATUQCDJPWAORV-AWEZNQCLSA-N 2 1 264.417 1.769 50 0 CDAAMP C[C@@H](CC[N@@H+](C)CCc1nccn1C)[NH+]1CCCC1 ZINC001506395092 908870951 /nfs/dbraw/zinc/87/09/51/908870951.db2.gz CATUQCDJPWAORV-AWEZNQCLSA-N 2 1 264.417 1.769 50 0 CDAAMP C[C@@H](CCN(C)CCc1[nH+]ccn1C)[NH+]1CCCC1 ZINC001506395092 908870971 /nfs/dbraw/zinc/87/09/71/908870971.db2.gz CATUQCDJPWAORV-AWEZNQCLSA-N 2 1 264.417 1.769 50 0 CDAAMP C[C@H](CN1CC[NH+](C)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000821746004 925594640 /nfs/dbraw/zinc/59/46/40/925594640.db2.gz GBVFYVYSWHFHSF-CQSZACIVSA-N 2 1 291.443 1.225 50 0 CDAAMP OC[C@H]1C[NH2+]CCC12CC[NH+](CCN1CCCCC1)CC2 ZINC000219619447 930891731 /nfs/dbraw/zinc/89/17/31/930891731.db2.gz AUNTZKKTQKNTNN-MRXNPFEDSA-N 2 1 295.471 1.156 50 0 CDAAMP COCC[N@@H+]1CC[C@H](CNc2cc(N)[nH+]c(SC)n2)C1 ZINC001529158729 968997511 /nfs/dbraw/zinc/99/75/11/968997511.db2.gz JSYHBCXRQBLDRR-SNVBAGLBSA-N 2 1 297.428 1.161 50 0 CDAAMP COCC[N@H+]1CC[C@H](CNc2cc(N)[nH+]c(SC)n2)C1 ZINC001529158729 968997519 /nfs/dbraw/zinc/99/75/19/968997519.db2.gz JSYHBCXRQBLDRR-SNVBAGLBSA-N 2 1 297.428 1.161 50 0 CDAAMP C[C@@H](C(=O)N1CCCC1)[N@H+](C)CCCc1[nH+]ccn1C ZINC000244858689 361866420 /nfs/dbraw/zinc/86/64/20/361866420.db2.gz VQJWZODYRRLCSV-ZDUSSCGKSA-N 2 1 278.400 1.295 50 0 CDAAMP C[C@@H](C(=O)N1CCCC1)[N@@H+](C)CCCc1[nH+]ccn1C ZINC000244858689 361866421 /nfs/dbraw/zinc/86/64/21/361866421.db2.gz VQJWZODYRRLCSV-ZDUSSCGKSA-N 2 1 278.400 1.295 50 0 CDAAMP CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000097234183 342205468 /nfs/dbraw/zinc/20/54/68/342205468.db2.gz FOPKWEDFJCODFN-NSHDSACASA-N 2 1 282.775 1.121 50 0 CDAAMP C[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900975 179879617 /nfs/dbraw/zinc/87/96/17/179879617.db2.gz RLNHVMIYFVIJAV-RYUDHWBXSA-N 2 1 282.432 1.251 50 0 CDAAMP C[N@H+]1CCC[C@@H](CCNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067758926 357625213 /nfs/dbraw/zinc/62/52/13/357625213.db2.gz XCSBUFVTWQSZMT-AWEZNQCLSA-N 2 1 265.401 1.144 50 0 CDAAMP C[C@@H](NCc1nncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110954 357986739 /nfs/dbraw/zinc/98/67/39/357986739.db2.gz VUZZMUCDIAPGBP-OLZOCXBDSA-N 2 1 277.416 1.558 50 0 CDAAMP COC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095421528 374923387 /nfs/dbraw/zinc/92/33/87/374923387.db2.gz QZUJVECVFMAPCS-CQSZACIVSA-N 2 1 277.412 1.713 50 0 CDAAMP CC[NH+]1CCC(CNc2cnccn2)([NH+](C)C)CC1 ZINC000534658200 411829155 /nfs/dbraw/zinc/82/91/55/411829155.db2.gz RAQLIIUQVIKHNA-UHFFFAOYSA-N 2 1 263.389 1.305 50 0 CDAAMP Cc1[nH+]cc(CN2C[C@H]([NH+](C)C)[C@@H](C(C)C)C2)n1C ZINC000091676904 482574319 /nfs/dbraw/zinc/57/43/19/482574319.db2.gz JJBKTYNDGQNKSS-CABCVRRESA-N 2 1 264.417 1.747 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CSc1nnc(C[NH2+]C)n1C ZINC000426433517 754916692 /nfs/dbraw/zinc/91/66/92/754916692.db2.gz BKROXLOGJPUOPN-SNVBAGLBSA-N 2 1 269.418 1.111 50 0 CDAAMP CCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000253369940 342416059 /nfs/dbraw/zinc/41/60/59/342416059.db2.gz KGWHZXJYGUFUSF-TZMCWYRMSA-N 2 1 267.417 1.589 50 0 CDAAMP Cc1cccc(Cl)c1OCCOCC[NH2+]CC[NH3+] ZINC000019772346 356501204 /nfs/dbraw/zinc/50/12/04/356501204.db2.gz VMKIQZDPNIOOLO-UHFFFAOYSA-N 2 1 272.776 1.592 50 0 CDAAMP Cc1[nH+]ccn1[C@@H](C)C(=O)NCCC12CCC[NH+]1CCC2 ZINC000222921107 359384054 /nfs/dbraw/zinc/38/40/54/359384054.db2.gz UNSATGCQLGHBSW-ZDUSSCGKSA-N 2 1 290.411 1.887 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000108490380 412830510 /nfs/dbraw/zinc/83/05/10/412830510.db2.gz YPNWMTLDJLDHDB-BARDWOONSA-N 2 1 282.428 1.358 50 0 CDAAMP CN(C)c1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067691270 377209335 /nfs/dbraw/zinc/20/93/35/377209335.db2.gz XXULEIVFTNXKEW-UHFFFAOYSA-N 2 1 275.400 1.118 50 0 CDAAMP O[C@]1(C[NH2+]Cc2csc3c2CCCC3)C[NH2+]CCOC1 ZINC000077389435 177262383 /nfs/dbraw/zinc/26/23/83/177262383.db2.gz NSXSEIHMZPFXAH-HNNXBMFYSA-N 2 1 296.436 1.067 50 0 CDAAMP CCc1cc(N[C@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000396454996 328450476 /nfs/dbraw/zinc/45/04/76/328450476.db2.gz MDGMKKUGDPFSAG-LLVKDONJSA-N 2 1 262.401 1.912 50 0 CDAAMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](O)C2)c(C)c1 ZINC000952962111 617257500 /nfs/dbraw/zinc/25/75/00/617257500.db2.gz AWQFQOPJCHOAMM-MRXNPFEDSA-N 2 1 292.423 1.940 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCCN1C ZINC000243956736 937588633 /nfs/dbraw/zinc/58/86/33/937588633.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 2 1 264.417 1.998 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCCN1C ZINC000243956736 937588636 /nfs/dbraw/zinc/58/86/36/937588636.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 2 1 264.417 1.998 50 0 CDAAMP CCC(O)(CC)C[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000195553351 342626754 /nfs/dbraw/zinc/62/67/54/342626754.db2.gz MXLLXSXRVMEAPU-MRXNPFEDSA-N 2 1 297.487 1.639 50 0 CDAAMP CCC(O)(CC)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195553351 342626755 /nfs/dbraw/zinc/62/67/55/342626755.db2.gz MXLLXSXRVMEAPU-MRXNPFEDSA-N 2 1 297.487 1.639 50 0 CDAAMP CCC(O)(CC)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000195553351 342626756 /nfs/dbraw/zinc/62/67/56/342626756.db2.gz MXLLXSXRVMEAPU-MRXNPFEDSA-N 2 1 297.487 1.639 50 0 CDAAMP Clc1cnn(CC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244641205 361855050 /nfs/dbraw/zinc/85/50/50/361855050.db2.gz GLHZSMPUJSSRQE-UHFFFAOYSA-N 2 1 268.792 1.612 50 0 CDAAMP CCc1cc(N(C)C[C@@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000065407891 357538717 /nfs/dbraw/zinc/53/87/17/357538717.db2.gz GWIRDNCBSIEZAJ-GFCCVEGCSA-N 2 1 277.416 1.493 50 0 CDAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCCN(C(=O)C3CCC3)CC2)CC1 ZINC000243956907 376023325 /nfs/dbraw/zinc/02/33/25/376023325.db2.gz CEEVURJFAASDIG-FZNQNYSPSA-N 2 1 293.455 1.838 50 0 CDAAMP C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515635 173247524 /nfs/dbraw/zinc/24/75/24/173247524.db2.gz UBCPOHABJFUGBE-CQSZACIVSA-N 2 1 262.397 1.664 50 0 CDAAMP CC[NH+]1CCC(CNc2nc(C)cnc2C)([NH+](C)C)CC1 ZINC000534635629 328333555 /nfs/dbraw/zinc/33/35/55/328333555.db2.gz GCSQYCVBYQOMJB-UHFFFAOYSA-N 2 1 291.443 1.921 50 0 CDAAMP CC1(C)CC([N@H+]2C[C@@H]3COCC[C@]3(CO)C2)CC(C)(C)[NH2+]1 ZINC001772711023 1159445474 /nfs/dbraw/zinc/44/54/74/1159445474.db2.gz VGNQCGUVYJFKDI-CXAGYDPISA-N 2 1 296.455 1.626 50 0 CDAAMP CC(C)SCC[N@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529102165 968980627 /nfs/dbraw/zinc/98/06/27/968980627.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[N@@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529102165 968980632 /nfs/dbraw/zinc/98/06/32/968980632.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[NH+](C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC001529102165 968980638 /nfs/dbraw/zinc/98/06/38/968980638.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[NH+](C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC001529102165 968980643 /nfs/dbraw/zinc/98/06/43/968980643.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 2 1 274.474 1.764 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nccs1 ZINC000584891078 349350184 /nfs/dbraw/zinc/35/01/84/349350184.db2.gz LBZQWKCQIUIRAR-JTQLQIEISA-N 2 1 250.371 1.869 50 0 CDAAMP COC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000106853295 186143080 /nfs/dbraw/zinc/14/30/80/186143080.db2.gz MONGLGSQUFTSFX-HRCADAONSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000106853295 186143082 /nfs/dbraw/zinc/14/30/82/186143082.db2.gz MONGLGSQUFTSFX-HRCADAONSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000106853295 186143084 /nfs/dbraw/zinc/14/30/84/186143084.db2.gz MONGLGSQUFTSFX-HRCADAONSA-N 2 1 284.444 1.580 50 0 CDAAMP CC(C)[N@H+](CC(=O)N1CCN(C)CC1)C[C@H]1C[C@H]1C ZINC000093193981 351321166 /nfs/dbraw/zinc/32/11/66/351321166.db2.gz MFJCFWOMZNGVGY-ZIAGYGMSSA-N 2 1 267.417 1.127 50 0 CDAAMP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000000221270 355897594 /nfs/dbraw/zinc/89/75/94/355897594.db2.gz PUIJDEPPTRRDJD-CYBMUJFWSA-N 2 1 268.401 1.746 50 0 CDAAMP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000000221270 355897597 /nfs/dbraw/zinc/89/75/97/355897597.db2.gz PUIJDEPPTRRDJD-CYBMUJFWSA-N 2 1 268.401 1.746 50 0 CDAAMP Cc1cc[nH+]c(NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000195539188 358559904 /nfs/dbraw/zinc/55/99/04/358559904.db2.gz SUWUCNZSPNSSFJ-UHFFFAOYSA-N 2 1 292.427 1.192 50 0 CDAAMP COC(=O)N1C[C@H]2[C@H](C[N@H+](C)CCn3cc[nH+]c3C)[C@H]2C1 ZINC000102373425 358876399 /nfs/dbraw/zinc/87/63/99/358876399.db2.gz GGFCIYHLRZVELU-ZSOGYDGISA-N 2 1 292.383 1.068 50 0 CDAAMP COC(=O)N1C[C@H]2[C@H](C[N@@H+](C)CCn3cc[nH+]c3C)[C@H]2C1 ZINC000102373425 358876402 /nfs/dbraw/zinc/87/64/02/358876402.db2.gz GGFCIYHLRZVELU-ZSOGYDGISA-N 2 1 292.383 1.068 50 0 CDAAMP Cc1ccc[nH+]c1NCCNC(=O)CC[NH+]1CCCCC1 ZINC000219717192 359117630 /nfs/dbraw/zinc/11/76/30/359117630.db2.gz QZNNOYJLVJVNMR-UHFFFAOYSA-N 2 1 290.411 1.794 50 0 CDAAMP Nc1nc(N2CCCC3(CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000067841778 377251499 /nfs/dbraw/zinc/25/14/99/377251499.db2.gz PEAPNMKGARFKHG-UHFFFAOYSA-N 2 1 261.373 1.419 50 0 CDAAMP [NH3+]C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[NH2+]1 ZINC000757207445 577035824 /nfs/dbraw/zinc/03/58/24/577035824.db2.gz BEYZMBORRMATFB-ZNSHCXBVSA-N 2 1 265.323 1.244 50 0 CDAAMP C[C@@H]1CC[C@H]([NH3+])[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]1 ZINC000757216091 577036242 /nfs/dbraw/zinc/03/62/42/577036242.db2.gz XPGJYWYAEPVISB-NMUGVGKYSA-N 2 1 265.323 1.385 50 0 CDAAMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@@H]2OCC)CC1 ZINC000823350066 925687978 /nfs/dbraw/zinc/68/79/78/925687978.db2.gz DKVVDECIPPZTPT-GJZGRUSLSA-N 2 1 269.433 1.170 50 0 CDAAMP CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000095358490 358684160 /nfs/dbraw/zinc/68/41/60/358684160.db2.gz GWHYWIGZRJAZIC-CYBMUJFWSA-N 2 1 278.400 1.780 50 0 CDAAMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C)C3)o1 ZINC000097610227 358787624 /nfs/dbraw/zinc/78/76/24/358787624.db2.gz HKCWOSWQLPHKNC-QWHCGFSZSA-N 2 1 291.395 1.507 50 0 CDAAMP C[NH+](C)Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)o1 ZINC000097610227 358787627 /nfs/dbraw/zinc/78/76/27/358787627.db2.gz HKCWOSWQLPHKNC-QWHCGFSZSA-N 2 1 291.395 1.507 50 0 CDAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000097785216 358798713 /nfs/dbraw/zinc/79/87/13/358798713.db2.gz UGPBYYPGBIBMOL-CYBMUJFWSA-N 2 1 259.353 1.718 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)CC2CC[NH+](C)CC2)c1C ZINC000426621535 360689731 /nfs/dbraw/zinc/68/97/31/360689731.db2.gz BUXLWSAOZSCIBO-UHFFFAOYSA-N 2 1 278.400 1.348 50 0 CDAAMP C[C@@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)NCC[NH2+]1 ZINC000022938877 287220030 /nfs/dbraw/zinc/22/00/30/287220030.db2.gz XHCNINMOALIGKM-OKILXGFUSA-N 2 1 284.492 1.473 50 0 CDAAMP COc1cc2[nH+]c(N(C)CCC[NH3+])nc(N)c2cc1OC ZINC000022048332 171350677 /nfs/dbraw/zinc/35/06/77/171350677.db2.gz HVTJQTPDNHTWGI-UHFFFAOYSA-N 2 1 291.355 1.014 50 0 in-vitro CDAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000375749177 276201367 /nfs/dbraw/zinc/20/13/67/276201367.db2.gz MTRDMPWNQROHFW-GJZGRUSLSA-N 2 1 283.485 1.451 50 0 CDAAMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+]C2CC2)CC1 ZINC000032628283 278381817 /nfs/dbraw/zinc/38/18/17/278381817.db2.gz FBYGCVIKKILWIR-UHFFFAOYSA-N 2 1 269.389 1.467 50 0 CDAAMP O=C1CC[C@@H]([NH2+]CCc2[nH]cc[nH+]2)CCN1CC1CC1 ZINC000534581867 328312026 /nfs/dbraw/zinc/31/20/26/328312026.db2.gz ZCXMNLFPFNATLG-CYBMUJFWSA-N 2 1 276.384 1.333 50 0 CDAAMP COCCC[N@H+]1CC[C@@H](CNc2ccncc2F)C1 ZINC001529089681 968979673 /nfs/dbraw/zinc/97/96/73/968979673.db2.gz WLCHZXLFJLCZHW-LBPRGKRZSA-N 2 1 267.348 1.413 50 0 CDAAMP Cn1cc[nH+]c1CCN1CC[NH+](CC2CCC2)CC1 ZINC001506420859 975158376 /nfs/dbraw/zinc/15/83/76/975158376.db2.gz BZJPMQUIABSQPJ-UHFFFAOYSA-N 2 1 262.401 1.380 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000263263676 362039474 /nfs/dbraw/zinc/03/94/74/362039474.db2.gz NABVAZOHCMCGMX-UONOGXRCSA-N 2 1 281.444 1.837 50 0 CDAAMP [NH3+]C1CCN(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000114836768 350861716 /nfs/dbraw/zinc/86/17/16/350861716.db2.gz FYVPTKUQGAZWIY-HIFRSBDPSA-N 2 1 251.418 1.674 50 0 CDAAMP CC(C)c1cccc(OCCOCC[NH2+]CC[NH3+])c1 ZINC000019772358 356501077 /nfs/dbraw/zinc/50/10/77/356501077.db2.gz KBRZULQMFIPCLI-UHFFFAOYSA-N 2 1 266.385 1.754 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCn1c(C)cc(C)nc1=O ZINC000067819230 357630508 /nfs/dbraw/zinc/63/05/08/357630508.db2.gz FONPFQPZMHPHGC-LBPRGKRZSA-N 2 1 289.383 1.043 50 0 CDAAMP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432469 357834617 /nfs/dbraw/zinc/83/46/17/357834617.db2.gz BANFVMMRQSBSPV-MRXNPFEDSA-N 2 1 273.380 1.666 50 0 CDAAMP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432469 357834621 /nfs/dbraw/zinc/83/46/21/357834621.db2.gz BANFVMMRQSBSPV-MRXNPFEDSA-N 2 1 273.380 1.666 50 0 CDAAMP CCn1cc(CN(C)C[C@@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000097532338 358782589 /nfs/dbraw/zinc/78/25/89/358782589.db2.gz ADKAZLIEYUEZAJ-AWEZNQCLSA-N 2 1 280.416 1.303 50 0 CDAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000248125751 360384975 /nfs/dbraw/zinc/38/49/75/360384975.db2.gz LSBHLELVMUMETR-BZUAXINKSA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000248125751 360384978 /nfs/dbraw/zinc/38/49/78/360384978.db2.gz LSBHLELVMUMETR-BZUAXINKSA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000248125751 360384981 /nfs/dbraw/zinc/38/49/81/360384981.db2.gz LSBHLELVMUMETR-BZUAXINKSA-N 2 1 293.455 1.946 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000095371567 390910947 /nfs/dbraw/zinc/91/09/47/390910947.db2.gz LMZXWCRLKQDDDZ-HNNXBMFYSA-N 2 1 290.411 1.793 50 0 CDAAMP Cc1cc(N2CCC[N@H+](C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000248129704 391917667 /nfs/dbraw/zinc/91/76/67/391917667.db2.gz YBNKCFAOPSASNT-HNNXBMFYSA-N 3 1 274.412 1.512 50 0 CDAAMP Cc1cc(N2CCC[N@@H+](C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000248129704 391917671 /nfs/dbraw/zinc/91/76/71/391917671.db2.gz YBNKCFAOPSASNT-HNNXBMFYSA-N 3 1 274.412 1.512 50 0 CDAAMP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035686536 172354498 /nfs/dbraw/zinc/35/44/98/172354498.db2.gz AUUXFJKBQQASPH-OAHLLOKOSA-N 2 1 275.396 1.458 50 0 CDAAMP COc1ccccc1N1C(=[NH2+])NC(=[NH2+])NC12CCCC2 ZINC000000146412 295368288 /nfs/dbraw/zinc/36/82/88/295368288.db2.gz JDKOMUBFZLLEMD-UHFFFAOYSA-N 2 1 273.340 1.415 50 0 CDAAMP Cc1cc(C(F)(F)F)cc(N2CCO[C@H](CC[NH3+])C2)[nH+]1 ZINC000534647829 328342946 /nfs/dbraw/zinc/34/29/46/328342946.db2.gz QOOYHBCLTPRAPJ-LLVKDONJSA-N 2 1 289.301 1.963 50 0 CDAAMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000388826462 936644182 /nfs/dbraw/zinc/64/41/82/936644182.db2.gz WSQJXXIDWYWYTM-UKMLZYKCSA-N 2 1 260.381 1.563 50 0 CDAAMP C[C@@H]1CC[C@H](CO)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000097103392 342192079 /nfs/dbraw/zinc/19/20/79/342192079.db2.gz ZOCTYLFWRJDOBT-CABCVRRESA-N 2 1 254.418 1.955 50 0 CDAAMP CCc1[nH+]ccn1CCCNC(=O)C[N@H+](C)C1CCCC1 ZINC000219926888 529759691 /nfs/dbraw/zinc/75/96/91/529759691.db2.gz ZCZVQMPYPRAIKC-UHFFFAOYSA-N 2 1 292.427 1.826 50 0 CDAAMP CCc1[nH+]ccn1CCCNC(=O)C[N@@H+](C)C1CCCC1 ZINC000219926888 529759692 /nfs/dbraw/zinc/75/96/92/529759692.db2.gz ZCZVQMPYPRAIKC-UHFFFAOYSA-N 2 1 292.427 1.826 50 0 CDAAMP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000091604036 180203595 /nfs/dbraw/zinc/20/35/95/180203595.db2.gz GAJCNPRMBNPMQU-HZPDHXFCSA-N 2 1 292.423 1.606 50 0 CDAAMP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000091604036 180203597 /nfs/dbraw/zinc/20/35/97/180203597.db2.gz GAJCNPRMBNPMQU-HZPDHXFCSA-N 2 1 292.423 1.606 50 0 CDAAMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558363 356782748 /nfs/dbraw/zinc/78/27/48/356782748.db2.gz IRLTZKCWYYDQOV-INIZCTEOSA-N 2 1 297.487 1.618 50 0 CDAAMP C[NH+](C[C@H]1CCC[N@H+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558363 356782753 /nfs/dbraw/zinc/78/27/53/356782753.db2.gz IRLTZKCWYYDQOV-INIZCTEOSA-N 2 1 297.487 1.618 50 0 CDAAMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558363 356782759 /nfs/dbraw/zinc/78/27/59/356782759.db2.gz IRLTZKCWYYDQOV-INIZCTEOSA-N 2 1 297.487 1.618 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000067756199 357625517 /nfs/dbraw/zinc/62/55/17/357625517.db2.gz XQVAEHPIHBUKGM-LBPRGKRZSA-N 2 1 251.374 1.722 50 0 CDAAMP CCSC[C@H]([NH3+])C(=O)N1CC[N@@H+](CC)C(C)(C)C1 ZINC000067787949 357627739 /nfs/dbraw/zinc/62/77/39/357627739.db2.gz KJJZTJMJCXZDGX-NSHDSACASA-N 2 1 273.446 1.010 50 0 CDAAMP C[N@@H+](CCCO)C1CCN(Cc2ccccc2)CC1 ZINC000068591637 357651473 /nfs/dbraw/zinc/65/14/73/357651473.db2.gz GWZXADJLASFFLZ-UHFFFAOYSA-N 2 1 262.397 1.965 50 0 CDAAMP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000068591637 357651475 /nfs/dbraw/zinc/65/14/75/357651475.db2.gz GWZXADJLASFFLZ-UHFFFAOYSA-N 2 1 262.397 1.965 50 0 CDAAMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000068591637 357651479 /nfs/dbraw/zinc/65/14/79/357651479.db2.gz GWZXADJLASFFLZ-UHFFFAOYSA-N 2 1 262.397 1.965 50 0 CDAAMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523357 359930627 /nfs/dbraw/zinc/93/06/27/359930627.db2.gz RGTXIGOLOJSJPJ-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP COCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000408524835 359934700 /nfs/dbraw/zinc/93/47/00/359934700.db2.gz ZUBVCOKNHZPIFK-UHFFFAOYSA-N 2 1 258.406 1.095 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)C[NH+]1CCC2(CC1)OCCO2 ZINC000089735537 366923177 /nfs/dbraw/zinc/92/31/77/366923177.db2.gz CGIBOHIAVXHNFO-CYBMUJFWSA-N 2 1 279.384 1.667 50 0 CDAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000037644232 369506135 /nfs/dbraw/zinc/50/61/35/369506135.db2.gz PUCNFKACUQJDOF-ZDUSSCGKSA-N 2 1 250.390 1.468 50 0 CDAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000037644232 369506139 /nfs/dbraw/zinc/50/61/39/369506139.db2.gz PUCNFKACUQJDOF-ZDUSSCGKSA-N 2 1 250.390 1.468 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000299779820 372757020 /nfs/dbraw/zinc/75/70/20/372757020.db2.gz RTCCQBRMWCDXII-LBPRGKRZSA-N 2 1 278.400 1.380 50 0 CDAAMP c1cn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000123675093 375825568 /nfs/dbraw/zinc/82/55/68/375825568.db2.gz DFSKCBXKHRAWLR-UHFFFAOYSA-N 2 1 299.422 1.575 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000240471632 376017539 /nfs/dbraw/zinc/01/75/39/376017539.db2.gz GDILOLXJPWOZLM-AVGNSLFASA-N 2 1 291.361 1.839 50 0 CDAAMP C[NH+]1CCC2(CC1)CN(c1[nH+]cnc3[nH]ccc31)CCO2 ZINC000645384339 377196196 /nfs/dbraw/zinc/19/61/96/377196196.db2.gz AQJKCALAAXFSPH-UHFFFAOYSA-N 2 1 287.367 1.259 50 0 CDAAMP c1n[nH]nc1SCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067805009 377240982 /nfs/dbraw/zinc/24/09/82/377240982.db2.gz MLELNPJNIFAVDF-UHFFFAOYSA-N 2 1 295.456 1.799 50 0 CDAAMP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003845 391483093 /nfs/dbraw/zinc/48/30/93/391483093.db2.gz YFABSRYVUCTVHL-AGIUHOORSA-N 2 1 253.390 1.199 50 0 CDAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856020 140399465 /nfs/dbraw/zinc/39/94/65/140399465.db2.gz XEGNLKHGZQVCOH-BPLDGKMQSA-N 2 1 273.380 1.684 50 0 CDAAMP C[C@@H](CN1CC[NH+](C)CC1)[N@@H+]1CCC2(CCCC2)C1 ZINC000670471042 483073522 /nfs/dbraw/zinc/07/35/22/483073522.db2.gz HDHQZPCYPJBNBZ-HNNXBMFYSA-N 2 1 265.445 1.888 50 0 CDAAMP C[C@@H](CN1CC[NH+](C)CC1)[N@H+]1CCC2(CCCC2)C1 ZINC000670471042 483073529 /nfs/dbraw/zinc/07/35/29/483073529.db2.gz HDHQZPCYPJBNBZ-HNNXBMFYSA-N 2 1 265.445 1.888 50 0 CDAAMP Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000077486970 483506045 /nfs/dbraw/zinc/50/60/45/483506045.db2.gz XBRGOISXZJROFP-UHFFFAOYSA-N 2 1 258.329 1.474 50 0 CDAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@H]1C=CC[NH2+]1 ZINC000952969099 793130391 /nfs/dbraw/zinc/13/03/91/793130391.db2.gz PQUBDNRLALOWLS-OAHLLOKOSA-N 2 1 282.347 1.706 50 0 CDAAMP CC(C)=CCC[N@@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529173102 969001224 /nfs/dbraw/zinc/00/12/24/969001224.db2.gz MIPHUECICBOAQU-HNNXBMFYSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[N@H+](C)C[C@@H]1CCC[NH+](CCO)C1 ZINC001529173102 969001235 /nfs/dbraw/zinc/00/12/35/969001235.db2.gz MIPHUECICBOAQU-HNNXBMFYSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[NH+](C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC001529173102 969001246 /nfs/dbraw/zinc/00/12/46/969001246.db2.gz MIPHUECICBOAQU-HNNXBMFYSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[NH+](C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC001529173102 969001253 /nfs/dbraw/zinc/00/12/53/969001253.db2.gz MIPHUECICBOAQU-HNNXBMFYSA-N 2 1 254.418 1.979 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCC[C@H]([NH+](C)C)C2)c1Cl ZINC001506411151 975153934 /nfs/dbraw/zinc/15/39/34/975153934.db2.gz WZXWXAXQEZLION-VIFPVBQESA-N 2 1 269.780 1.551 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000096485955 230381413 /nfs/dbraw/zinc/38/14/13/230381413.db2.gz ITJWYANNOVRAHR-CQSZACIVSA-N 2 1 279.384 1.667 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000096485955 230381414 /nfs/dbraw/zinc/38/14/14/230381414.db2.gz ITJWYANNOVRAHR-CQSZACIVSA-N 2 1 279.384 1.667 50 0 CDAAMP CCOC(=O)N1CCC[N@H+](CCCn2cc[nH+]c2C)CC1 ZINC000095977646 185052002 /nfs/dbraw/zinc/05/20/02/185052002.db2.gz MRAFAFFZVYYSSF-UHFFFAOYSA-N 2 1 294.399 1.746 50 0 CDAAMP CCOC(=O)N1CCC[N@@H+](CCCn2cc[nH+]c2C)CC1 ZINC000095977646 185052003 /nfs/dbraw/zinc/05/20/03/185052003.db2.gz MRAFAFFZVYYSSF-UHFFFAOYSA-N 2 1 294.399 1.746 50 0 CDAAMP CCn1c(Cn2c[nH+]c3c2CCC3)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244734995 361859846 /nfs/dbraw/zinc/85/98/46/361859846.db2.gz NRDFKGJIIRHJBY-PHIMTYICSA-N 2 1 286.383 1.236 50 0 CDAAMP C[N@H+]1CCC[C@H](CCNC(=O)CC2=CC[NH2+]CC2)C1 ZINC000067758924 357625393 /nfs/dbraw/zinc/62/53/93/357625393.db2.gz XCSBUFVTWQSZMT-CQSZACIVSA-N 2 1 265.401 1.144 50 0 CDAAMP Cc1cccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000097096585 357954007 /nfs/dbraw/zinc/95/40/07/357954007.db2.gz RSMPATXQWGSWGC-CQSZACIVSA-N 2 1 288.395 1.309 50 0 CDAAMP Cc1cccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)[nH+]1 ZINC000097096585 357954011 /nfs/dbraw/zinc/95/40/11/357954011.db2.gz RSMPATXQWGSWGC-CQSZACIVSA-N 2 1 288.395 1.309 50 0 CDAAMP C[NH+](C)CCCNC(=O)[C@H](c1cccc(F)c1)[NH+](C)C ZINC000095367302 358686414 /nfs/dbraw/zinc/68/64/14/358686414.db2.gz WCUZDENHYIRYNR-AWEZNQCLSA-N 2 1 281.375 1.496 50 0 CDAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000248125755 360385564 /nfs/dbraw/zinc/38/55/64/360385564.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000248125755 360385571 /nfs/dbraw/zinc/38/55/71/360385571.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000248125755 360385577 /nfs/dbraw/zinc/38/55/77/360385577.db2.gz LSBHLELVMUMETR-OWCLPIDISA-N 2 1 293.455 1.946 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000299779811 372757215 /nfs/dbraw/zinc/75/72/15/372757215.db2.gz RTCCQBRMWCDXII-GFCCVEGCSA-N 2 1 278.400 1.380 50 0 CDAAMP CC[N@H+]1CCC[C@](C)(C[NH+]2CCC(CO)CC2)C1 ZINC000019642388 374768300 /nfs/dbraw/zinc/76/83/00/374768300.db2.gz OLMDMUBUWKXJLF-HNNXBMFYSA-N 2 1 254.418 1.813 50 0 CDAAMP CCn1ncnc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000067872853 377278058 /nfs/dbraw/zinc/27/80/58/377278058.db2.gz LASSYMWYKGVLFF-UHFFFAOYSA-N 2 1 263.389 1.216 50 0 CDAAMP CCn1ncnc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000067872853 377278062 /nfs/dbraw/zinc/27/80/62/377278062.db2.gz LASSYMWYKGVLFF-UHFFFAOYSA-N 2 1 263.389 1.216 50 0 CDAAMP C[C@@H]1CCCN(c2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC000089929840 135060882 /nfs/dbraw/zinc/06/08/82/135060882.db2.gz WAHFVMYYARNGSH-CYBMUJFWSA-N 2 1 275.400 1.465 50 0 CDAAMP Cc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072168517 176332252 /nfs/dbraw/zinc/33/22/52/176332252.db2.gz QJDJSENTGOJDKT-MRXNPFEDSA-N 2 1 277.412 1.669 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000534670178 328347003 /nfs/dbraw/zinc/34/70/03/328347003.db2.gz OXDBDOFROQXZPQ-IATRGZMQSA-N 2 1 274.364 1.496 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1COc3ccccc3O1)C2 ZINC000534670178 328347004 /nfs/dbraw/zinc/34/70/04/328347004.db2.gz OXDBDOFROQXZPQ-IATRGZMQSA-N 2 1 274.364 1.496 50 0 CDAAMP Cc1[nH+]c(N2CCCC2)nc(NCC[N@@H+](C)CCO)c1C ZINC001704339104 1177695278 /nfs/dbraw/zinc/69/52/78/1177695278.db2.gz DCEUTAGIPHSUAJ-UHFFFAOYSA-N 2 1 293.415 1.030 50 0 CDAAMP Cc1nc[nH]c1CSCCNC(=O)[C@H](C)N(C)C ZINC000426551743 902601011 /nfs/dbraw/zinc/60/10/11/902601011.db2.gz CZWULQVBKLTIQG-JTQLQIEISA-N 2 1 270.402 1.018 50 0 CDAAMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H](O)CC1(O)CCC1 ZINC000952877058 910435609 /nfs/dbraw/zinc/43/56/09/910435609.db2.gz LHJCHPUGDKXFFD-INIZCTEOSA-N 2 1 292.423 1.503 50 0 CDAAMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)CCCn2ccnc2)C1 ZINC001506402948 975150568 /nfs/dbraw/zinc/15/05/68/975150568.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 2 1 264.417 1.935 50 0 CDAAMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CCCn2ccnc2)C1 ZINC001506402948 975150569 /nfs/dbraw/zinc/15/05/69/975150569.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 2 1 264.417 1.935 50 0 CDAAMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC001506402948 975150572 /nfs/dbraw/zinc/15/05/72/975150572.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 2 1 264.417 1.935 50 0 CDAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2cncnc2)CC1 ZINC001506418507 975156952 /nfs/dbraw/zinc/15/69/52/975156952.db2.gz ZLTGMTNKPAEJCH-UHFFFAOYSA-N 2 1 278.400 1.267 50 0 CDAAMP Cc1cc(N2CCC[N@H+](CCc3nccn3C)CC2)cc[nH+]1 ZINC001506418295 975157443 /nfs/dbraw/zinc/15/74/43/975157443.db2.gz GYGIWFSGYHXDMS-UHFFFAOYSA-N 2 1 299.422 1.878 50 0 CDAAMP CC[NH+]1CCC(CNc2ncc(C)cn2)([NH+](C)C)CC1 ZINC000095505870 185000380 /nfs/dbraw/zinc/00/03/80/185000380.db2.gz LLTYUZGTGYSECQ-UHFFFAOYSA-N 2 1 277.416 1.613 50 0 CDAAMP O=C(C1CC[NH2+]CC1)N1CCC[N@H+](C2CCC2)CC1 ZINC000090624519 358484324 /nfs/dbraw/zinc/48/43/24/358484324.db2.gz JEDKFRUWDJYLCQ-UHFFFAOYSA-N 2 1 265.401 1.073 50 0 CDAAMP C[C@H]1CNC(=O)CC[N@H+]1C1CCN(Cc2ccco2)CC1 ZINC000065419881 357540202 /nfs/dbraw/zinc/54/02/02/357540202.db2.gz CQJPTYJANHPWLY-ZDUSSCGKSA-N 2 1 291.395 1.454 50 0 CDAAMP CN1C[C@H](C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)CC1=O ZINC000215738556 358901198 /nfs/dbraw/zinc/90/11/98/358901198.db2.gz DXNWEAPOALUYNB-LBPRGKRZSA-N 2 1 295.452 1.720 50 0 CDAAMP CN1CCC[N@H+]([C@@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623362 360691260 /nfs/dbraw/zinc/69/12/60/360691260.db2.gz UEDHBESQMSRRBU-CQSZACIVSA-N 2 1 283.485 1.642 50 0 CDAAMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000088264629 364648068 /nfs/dbraw/zinc/64/80/68/364648068.db2.gz NFQWMNJWUHTNDK-ZDUSSCGKSA-N 2 1 252.358 1.777 50 0 CDAAMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000088264632 364648188 /nfs/dbraw/zinc/64/81/88/364648188.db2.gz NFQWMNJWUHTNDK-CYBMUJFWSA-N 2 1 252.358 1.777 50 0 CDAAMP C[N@H+](Cc1cc(CC2([NH3+])COC2)no1)Cc1ccccc1 ZINC000070633540 374667099 /nfs/dbraw/zinc/66/70/99/374667099.db2.gz NLRNBLONRZKZCV-UHFFFAOYSA-N 2 1 287.363 1.577 50 0 biogenic,in-vitro CDAAMP C[NH2+]CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648038 131246277 /nfs/dbraw/zinc/24/62/77/131246277.db2.gz PMGFVAIOALYKQM-HIFRSBDPSA-N 2 1 275.396 1.375 50 0 CDAAMP C[N@@H+]1CCCN(c2noc(C3CC3)n2)CC12CC[NH2+]CC2 ZINC000534671700 328347833 /nfs/dbraw/zinc/34/78/33/328347833.db2.gz JTFMPDQDDSYQPA-UHFFFAOYSA-N 2 1 291.399 1.211 50 0 CDAAMP C[N@H+]1CCCN(c2noc(C3CC3)n2)CC12CC[NH2+]CC2 ZINC000534671700 328347835 /nfs/dbraw/zinc/34/78/35/328347835.db2.gz JTFMPDQDDSYQPA-UHFFFAOYSA-N 2 1 291.399 1.211 50 0 CDAAMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000388826460 811800354 /nfs/dbraw/zinc/80/03/54/811800354.db2.gz WSQJXXIDWYWYTM-TUUVXOQKSA-N 2 1 260.381 1.563 50 0 CDAAMP CO[C@H]1C[N@@H+](C2CC[NH+](C3CCCC3)CC2)C[C@@H]1O ZINC000824504724 925828313 /nfs/dbraw/zinc/82/83/13/925828313.db2.gz IHHXMWUDNQLZNW-GJZGRUSLSA-N 2 1 268.401 1.085 50 0 CDAAMP CO[C@H]1C[N@H+](C2CC[NH+](C3CCCC3)CC2)C[C@@H]1O ZINC000824504724 925828321 /nfs/dbraw/zinc/82/83/21/925828321.db2.gz IHHXMWUDNQLZNW-GJZGRUSLSA-N 2 1 268.401 1.085 50 0 CDAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCN1CCC(CO)CC1 ZINC000828719654 926166312 /nfs/dbraw/zinc/16/63/12/926166312.db2.gz RXEJOYFUSGACBI-CQSZACIVSA-N 2 1 294.443 1.264 50 0 CDAAMP CCNC(=O)N1CC([N@@H+](CC(C)C)C2CCN(C)CC2)C1 ZINC000581799671 927199996 /nfs/dbraw/zinc/19/99/96/927199996.db2.gz HLELRMASACFVBO-UHFFFAOYSA-N 2 1 296.459 1.452 50 0 CDAAMP Cc1ncccc1C[N@H+](C)C[C@@H]1CCCN(CCO)C1 ZINC001529191359 969010476 /nfs/dbraw/zinc/01/04/76/969010476.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 1 277.412 1.526 50 0 CDAAMP Cc1ncccc1C[N@@H+](C)C[C@@H]1CCCN(CCO)C1 ZINC001529191359 969010485 /nfs/dbraw/zinc/01/04/85/969010485.db2.gz XJAYMIQEUXRRMP-HNNXBMFYSA-N 2 1 277.412 1.526 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(OC)c2)C1 ZINC001506409484 975153444 /nfs/dbraw/zinc/15/34/44/975153444.db2.gz RAQRRNLHTQIUOK-CQSZACIVSA-N 2 1 296.386 1.892 50 0 CDAAMP Cn1cnnc1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000243893660 361828535 /nfs/dbraw/zinc/82/85/35/361828535.db2.gz ATBANTJJKAXTCY-CQSZACIVSA-N 2 1 277.416 1.479 50 0 CDAAMP [NH3+]C1CCN(C[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000601013368 345006567 /nfs/dbraw/zinc/00/65/67/345006567.db2.gz FYVPTKUQGAZWIY-UKRRQHHQSA-N 2 1 251.418 1.674 50 0 CDAAMP Cc1cccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)c1 ZINC000426422771 358652415 /nfs/dbraw/zinc/65/24/15/358652415.db2.gz FPQXPLLGUNKIPQ-OAHLLOKOSA-N 2 1 259.397 1.915 50 0 CDAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000097785217 358798906 /nfs/dbraw/zinc/79/89/06/358798906.db2.gz UGPBYYPGBIBMOL-ZDUSSCGKSA-N 2 1 259.353 1.718 50 0 CDAAMP CN1CCC([NH2+]CC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000038019054 359475307 /nfs/dbraw/zinc/47/53/07/359475307.db2.gz CGAKNPVAEBAISN-LQDVMPOASA-N 2 1 251.418 1.543 50 0 CDAAMP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]C1CC[NH+](C)CC1)C2 ZINC000038019054 359475311 /nfs/dbraw/zinc/47/53/11/359475311.db2.gz CGAKNPVAEBAISN-LQDVMPOASA-N 3 1 251.418 1.543 50 0 CDAAMP C[N@@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]C1CC[NH+](C)CC1)C2 ZINC000038019054 359475312 /nfs/dbraw/zinc/47/53/12/359475312.db2.gz CGAKNPVAEBAISN-LQDVMPOASA-N 3 1 251.418 1.543 50 0 CDAAMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089938497 360198062 /nfs/dbraw/zinc/19/80/62/360198062.db2.gz UHOGYVZICJGKTI-CYBMUJFWSA-N 2 1 275.396 1.524 50 0 CDAAMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089938497 360198066 /nfs/dbraw/zinc/19/80/66/360198066.db2.gz UHOGYVZICJGKTI-CYBMUJFWSA-N 2 1 275.396 1.524 50 0 CDAAMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000251831574 366920018 /nfs/dbraw/zinc/92/00/18/366920018.db2.gz POSFYXUKUUMCSE-VHDGCEQUSA-N 2 1 273.380 1.382 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000251831574 366920020 /nfs/dbraw/zinc/92/00/20/366920020.db2.gz POSFYXUKUUMCSE-VHDGCEQUSA-N 2 1 273.380 1.382 50 0 CDAAMP C[C@H]1C[N@H+](C2CCN(C[C@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000252517298 367740064 /nfs/dbraw/zinc/74/00/64/367740064.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1C[NH+](C2CCN(C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000252517298 367740070 /nfs/dbraw/zinc/74/00/70/367740070.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1C[NH+](C2CCN(C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000252517298 367740073 /nfs/dbraw/zinc/74/00/73/367740073.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1CN(C2CC[NH+](C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000252517298 367740078 /nfs/dbraw/zinc/74/00/78/367740078.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1CN(C2CC[NH+](C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000252517298 367740085 /nfs/dbraw/zinc/74/00/85/367740085.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 2 1 281.444 1.123 50 0 CDAAMP CC(C)N(Cc1ccccc1Cl)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC000055088839 374136230 /nfs/dbraw/zinc/13/62/30/374136230.db2.gz SKJNJBZALIGLMX-ZDUSSCGKSA-N 2 1 283.803 1.753 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1ccc(Cl)cc1 ZINC000022034209 171350205 /nfs/dbraw/zinc/35/02/05/171350205.db2.gz FQLITJGMIMLQIX-UHFFFAOYSA-N 2 1 258.749 1.284 50 0 CDAAMP COCCC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000091441412 277208204 /nfs/dbraw/zinc/20/82/04/277208204.db2.gz TUGAMXWRYFILPP-LBPRGKRZSA-N 2 1 279.388 1.138 50 0 CDAAMP O=C(CN1Cc2ccccc2C1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000534659650 328342316 /nfs/dbraw/zinc/34/23/16/328342316.db2.gz DEYUPVXLJWNRIV-CQSZACIVSA-N 2 1 299.418 1.603 50 0 CDAAMP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000097049156 567903499 /nfs/dbraw/zinc/90/34/99/567903499.db2.gz RQDDIQPKAZVNQM-HNNXBMFYSA-N 2 1 275.396 1.629 50 0 CDAAMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000097049156 567903500 /nfs/dbraw/zinc/90/35/00/567903500.db2.gz RQDDIQPKAZVNQM-HNNXBMFYSA-N 2 1 275.396 1.629 50 0 CDAAMP [NH3+]C[C@@H]1C[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)CC[NH2+]1 ZINC000757207443 577035907 /nfs/dbraw/zinc/03/59/07/577035907.db2.gz BEYZMBORRMATFB-RCWTZXSCSA-N 2 1 265.323 1.244 50 0 CDAAMP C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C[C@H]1[NH3+] ZINC000757210035 577036287 /nfs/dbraw/zinc/03/62/87/577036287.db2.gz HQFSEQAUFRVGQX-ILAIQSSSSA-N 2 1 265.323 1.242 50 0 CDAAMP C[NH+](C)C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000888096560 617758586 /nfs/dbraw/zinc/75/85/86/617758586.db2.gz JMJUUKUBLOCXKM-UHFFFAOYSA-N 2 1 277.343 1.504 50 0 CDAAMP O[C@@H]1CCC[N@@H+](CCCNCc2ccc(Cl)o2)C1 ZINC000952992106 818556613 /nfs/dbraw/zinc/55/66/13/818556613.db2.gz WZDKZDZCBZIOIT-LLVKDONJSA-N 2 1 272.776 1.869 50 0 CDAAMP C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CC[NH+](C)C)C1 ZINC000020857481 819197831 /nfs/dbraw/zinc/19/78/31/819197831.db2.gz FDTRYRXEKBPODT-CYBMUJFWSA-N 2 1 255.406 1.128 50 0 CDAAMP C[C@@H](CN1CC[NH+](C)CC1)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823789110 925733324 /nfs/dbraw/zinc/73/33/24/925733324.db2.gz HAJZYFCQZLDOIN-INIZCTEOSA-N 3 1 294.487 1.040 50 0 CDAAMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CCN1Cc1ccccc1 ZINC000585116788 930968875 /nfs/dbraw/zinc/96/88/75/930968875.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1Cc1ccccc1 ZINC000585116788 930968903 /nfs/dbraw/zinc/96/89/03/930968903.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1Cc1ccccc1 ZINC000585116788 930968910 /nfs/dbraw/zinc/96/89/10/930968910.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116788 930968918 /nfs/dbraw/zinc/96/89/18/930968918.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116788 930968927 /nfs/dbraw/zinc/96/89/27/930968927.db2.gz IMUABNCEBOZPJN-OIISXLGYSA-N 2 1 292.423 1.325 50 0 CDAAMP CCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554584 342626145 /nfs/dbraw/zinc/62/61/45/342626145.db2.gz KGWHZXJYGUFUSF-JSGCOSHPSA-N 2 1 267.417 1.589 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCC[N@H+]1CCC[C@H](C)C1 ZINC000091616655 180208495 /nfs/dbraw/zinc/20/84/95/180208495.db2.gz XNIZGCGQTHJELH-NSHDSACASA-N 2 1 263.389 1.901 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000091616655 180208498 /nfs/dbraw/zinc/20/84/98/180208498.db2.gz XNIZGCGQTHJELH-NSHDSACASA-N 2 1 263.389 1.901 50 0 CDAAMP Cc1cccc([C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000065375381 357533336 /nfs/dbraw/zinc/53/33/36/357533336.db2.gz YMXMKVQFRRYDOY-OWCLPIDISA-N 2 1 287.407 1.561 50 0 CDAAMP CC[NH+]1CCC(c2nc(CN3CC[NH+](C)CC3)no2)CC1 ZINC000067803316 359723597 /nfs/dbraw/zinc/72/35/97/359723597.db2.gz OQBFLENEOXBQAE-UHFFFAOYSA-N 2 1 293.415 1.016 50 0 CDAAMP Cc1cc(C)n(CC[N@H+](C)CCCc2nccn2C)n1 ZINC000299777881 372755061 /nfs/dbraw/zinc/75/50/61/372755061.db2.gz PKKSWXZKQIKLIX-UHFFFAOYSA-N 2 1 275.400 1.798 50 0 CDAAMP Cc1cc(C)n(CC[N@@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000299777881 372755069 /nfs/dbraw/zinc/75/50/69/372755069.db2.gz PKKSWXZKQIKLIX-UHFFFAOYSA-N 2 1 275.400 1.798 50 0 CDAAMP Cc1cc(C)n(CC[N@H+](C)CCCc2[nH+]ccn2C)n1 ZINC000299777881 372755075 /nfs/dbraw/zinc/75/50/75/372755075.db2.gz PKKSWXZKQIKLIX-UHFFFAOYSA-N 2 1 275.400 1.798 50 0 CDAAMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433977 374934478 /nfs/dbraw/zinc/93/44/78/374934478.db2.gz QJSOXSHNSHSUPT-GJZGRUSLSA-N 2 1 279.428 1.520 50 0 CDAAMP C[NH+]1CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072169874 176332655 /nfs/dbraw/zinc/33/26/55/176332655.db2.gz WJVLKEXSZCUMEN-CYBMUJFWSA-N 2 1 273.380 1.151 50 0 CDAAMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCOC2(CCOCC2)C1 ZINC000077487795 177274305 /nfs/dbraw/zinc/27/43/05/177274305.db2.gz NXTPLLVAQSMEJI-HNNXBMFYSA-N 2 1 293.411 1.852 50 0 CDAAMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCOC2(CCOCC2)C1 ZINC000077487795 177274307 /nfs/dbraw/zinc/27/43/07/177274307.db2.gz NXTPLLVAQSMEJI-HNNXBMFYSA-N 2 1 293.411 1.852 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH2+]C)[C@H](C)C1 ZINC000430799198 279396306 /nfs/dbraw/zinc/39/63/06/279396306.db2.gz WNYDKRPOMFCMGZ-CHWSQXEVSA-N 2 1 255.406 1.175 50 0 CDAAMP CCOC(=O)N1CCC([NH2+]CCn2c[nH+]c(C)c2C)CC1 ZINC000670439403 482983117 /nfs/dbraw/zinc/98/31/17/482983117.db2.gz IYXPAJWPJRRXHT-UHFFFAOYSA-N 2 1 294.399 1.710 50 0 CDAAMP C[C@@H]1CC[C@H]([NH3+])[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]1 ZINC000757216087 577036359 /nfs/dbraw/zinc/03/63/59/577036359.db2.gz XPGJYWYAEPVISB-KJPMQGKISA-N 2 1 265.323 1.385 50 0 CDAAMP [NH3+]Cc1nnc(NCCC2CC[NH+](C3CCCC3)CC2)o1 ZINC001772700277 1159436294 /nfs/dbraw/zinc/43/62/94/1159436294.db2.gz BKDGOGNOTMVHDW-UHFFFAOYSA-N 2 1 293.415 1.985 50 0 CDAAMP C[NH2+]Cc1nnc(N(C)CC[NH+]2CCCCCC2)o1 ZINC001772712168 1159445339 /nfs/dbraw/zinc/44/53/39/1159445339.db2.gz OOZKSWSFLDXWGG-UHFFFAOYSA-N 2 1 267.377 1.101 50 0 CDAAMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000238853108 825043956 /nfs/dbraw/zinc/04/39/56/825043956.db2.gz IKQSGNVRSNCGPI-HNNXBMFYSA-N 2 1 260.381 1.874 50 0 CDAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000828628883 926150099 /nfs/dbraw/zinc/15/00/99/926150099.db2.gz WFRZVBVAQZYQRE-CQSZACIVSA-N 2 1 254.418 1.955 50 0 CDAAMP COCCC[N@H+]1CC[C@H](CNc2ccncc2F)C1 ZINC001529089677 968977867 /nfs/dbraw/zinc/97/78/67/968977867.db2.gz WLCHZXLFJLCZHW-GFCCVEGCSA-N 2 1 267.348 1.413 50 0 CDAAMP C[NH+](C)[C@@H](C(=O)NC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000218872702 282167618 /nfs/dbraw/zinc/16/76/18/282167618.db2.gz GMKHTFWNKSHAFA-CQSZACIVSA-N 2 1 279.359 1.297 50 0 CDAAMP C[NH+](C)C[C@H]1COCC[N@@H+](C2CSCCSC2)C1 ZINC000584900323 349362466 /nfs/dbraw/zinc/36/24/66/349362466.db2.gz FVZCZUTWEOSAGT-GFCCVEGCSA-N 2 1 290.498 1.345 50 0 CDAAMP C[NH+](C)C[C@H]1COCC[N@H+](C2CSCCSC2)C1 ZINC000584900323 349362468 /nfs/dbraw/zinc/36/24/68/349362468.db2.gz FVZCZUTWEOSAGT-GFCCVEGCSA-N 2 1 290.498 1.345 50 0 CDAAMP [NH3+]C1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000114836766 350861988 /nfs/dbraw/zinc/86/19/88/350861988.db2.gz FYVPTKUQGAZWIY-ZFWWWQNUSA-N 2 1 251.418 1.674 50 0 CDAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](C)C2)n1C ZINC000095353333 358682952 /nfs/dbraw/zinc/68/29/52/358682952.db2.gz DSPSCFCIFNFKIC-LBPRGKRZSA-N 2 1 274.372 1.178 50 0 CDAAMP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](C)C2)n1C ZINC000095353333 358682954 /nfs/dbraw/zinc/68/29/54/358682954.db2.gz DSPSCFCIFNFKIC-LBPRGKRZSA-N 2 1 274.372 1.178 50 0 CDAAMP CC[NH+](CC)CCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000191824372 361331412 /nfs/dbraw/zinc/33/14/12/361331412.db2.gz ITACVTQUNWPJPK-UHFFFAOYSA-N 2 1 284.444 1.847 50 0 CDAAMP CC[NH+](CC)CCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000191824372 361331417 /nfs/dbraw/zinc/33/14/17/361331417.db2.gz ITACVTQUNWPJPK-UHFFFAOYSA-N 2 1 284.444 1.847 50 0 CDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756873 372745818 /nfs/dbraw/zinc/74/58/18/372745818.db2.gz IGBIADUEVDGXDI-AFIMGQEJSA-N 2 1 299.418 1.709 50 0 CDAAMP CC[NH+](CC)CCC(=O)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000000198866 373466218 /nfs/dbraw/zinc/46/62/18/373466218.db2.gz VFRSYAZEERKDHH-PBWFPOADSA-N 2 1 268.401 1.887 50 0 biogenic CDAAMP CC(C)Cc1cc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)no1 ZINC000534580337 328311589 /nfs/dbraw/zinc/31/15/89/328311589.db2.gz ALMANMNSSFQJMC-UHFFFAOYSA-N 2 1 293.411 1.828 50 0 CDAAMP CNC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670435447 482971677 /nfs/dbraw/zinc/97/16/77/482971677.db2.gz DMOUBNIPOVETCN-LBPRGKRZSA-N 2 1 281.444 1.754 50 0 CDAAMP CCc1n[nH]c2c1C[N@@H+](CCc1nccn1C)CC2 ZINC000670450469 483008870 /nfs/dbraw/zinc/00/88/70/483008870.db2.gz WDPUGOBCGAIFLS-UHFFFAOYSA-N 2 1 259.357 1.306 50 0 CDAAMP CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473085 483082345 /nfs/dbraw/zinc/08/23/45/483082345.db2.gz BYAJQXHWYSQAIN-OAHLLOKOSA-N 2 1 281.444 1.853 50 0 CDAAMP CC[NH+]1CCC([NH2+][C@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001704333699 1177691780 /nfs/dbraw/zinc/69/17/80/1177691780.db2.gz DXIJKUGESOPUER-WBVHZDCISA-N 2 1 289.423 1.713 50 0 CDAAMP CC[N@H+](C)C(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1C ZINC000426624956 828831947 /nfs/dbraw/zinc/83/19/47/828831947.db2.gz YYXYBLURYOKWMX-NSHDSACASA-N 2 1 266.389 1.599 50 0 CDAAMP CC[N@@H+](C)C(C)(C)CNC(=O)[C@H](C)n1cc[nH+]c1C ZINC000426624956 828831948 /nfs/dbraw/zinc/83/19/48/828831948.db2.gz YYXYBLURYOKWMX-NSHDSACASA-N 2 1 266.389 1.599 50 0 CDAAMP Cc1cc(OCCOCC[NH2+]CC[NH3+])cc(C)c1Cl ZINC000022034170 829844019 /nfs/dbraw/zinc/84/40/19/829844019.db2.gz IGFBTJUQDDPBHJ-UHFFFAOYSA-N 2 1 286.803 1.901 50 0 CDAAMP CN1CCC[N@@H+](CCC(F)(F)F)CC12CC[NH2+]CC2 ZINC000823778358 925730039 /nfs/dbraw/zinc/73/00/39/925730039.db2.gz KZBHATQLXDXRGY-UHFFFAOYSA-N 2 1 279.350 1.699 50 0 CDAAMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC(=O)N(CC2CC2)CC1 ZINC000584903725 341993961 /nfs/dbraw/zinc/99/39/61/341993961.db2.gz SUVSDVHAMXVRMQ-HNNXBMFYSA-N 2 1 290.411 1.572 50 0 CDAAMP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019410979 356484716 /nfs/dbraw/zinc/48/47/16/356484716.db2.gz KNRYCLCSSAKTCH-INIZCTEOSA-N 2 1 287.407 1.330 50 0 CDAAMP Cc1cccc(OCCOCC[NH2+]CC[NH3+])c1C ZINC000019772571 356500998 /nfs/dbraw/zinc/50/09/98/356500998.db2.gz AWICDFZLODXSJW-UHFFFAOYSA-N 2 1 252.358 1.247 50 0 CDAAMP CSCC[C@@H](CO)[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055054233 357328342 /nfs/dbraw/zinc/32/83/42/357328342.db2.gz BJXLCHIAHNQFJJ-SOUVJXGZSA-N 2 1 286.485 1.955 50 0 CDAAMP Cc1nc(CC[NH3+])cc(N(C)C[C@]2(C)CC[N@@H+](C)C2)n1 ZINC000067754556 359704482 /nfs/dbraw/zinc/70/44/82/359704482.db2.gz SDRLXPYHSXNDFN-OAHLLOKOSA-N 2 1 277.416 1.064 50 0 CDAAMP C[NH2+]CCN(C)C(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000252478835 283523988 /nfs/dbraw/zinc/52/39/88/283523988.db2.gz AVRZEYLQMAKOGD-LLVKDONJSA-N 2 1 252.362 1.245 50 0 CDAAMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000017313824 364025755 /nfs/dbraw/zinc/02/57/55/364025755.db2.gz XRAMRJQJYLDCFB-UHFFFAOYSA-N 2 1 261.369 1.829 50 0 CDAAMP CC(C)SCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000375876483 371012667 /nfs/dbraw/zinc/01/26/67/371012667.db2.gz QLYBNKLNYBDHDW-AWEZNQCLSA-N 2 1 299.484 1.366 50 0 CDAAMP C[C@H](C[NH3+])Oc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC000299787051 372761718 /nfs/dbraw/zinc/76/17/18/372761718.db2.gz OURHKPZSIYJBBQ-CQSZACIVSA-N 2 1 291.439 1.939 50 0 CDAAMP C[C@H](C[NH3+])Oc1cccc(CN(C)C2CC[NH+](C)CC2)c1 ZINC000299787051 372761726 /nfs/dbraw/zinc/76/17/26/372761726.db2.gz OURHKPZSIYJBBQ-CQSZACIVSA-N 2 1 291.439 1.939 50 0 CDAAMP CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)CCCn1ccnc1 ZINC000299800832 372771569 /nfs/dbraw/zinc/77/15/69/372771569.db2.gz JAKDNUXWTFNWEG-CQSZACIVSA-N 2 1 292.427 1.852 50 0 CDAAMP Cc1cc(N2CCC[N@H+](C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000077520873 390810887 /nfs/dbraw/zinc/81/08/87/390810887.db2.gz YBNKCFAOPSASNT-OAHLLOKOSA-N 3 1 274.412 1.512 50 0 CDAAMP Cc1cc(N2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000077520873 390810888 /nfs/dbraw/zinc/81/08/88/390810888.db2.gz YBNKCFAOPSASNT-OAHLLOKOSA-N 3 1 274.412 1.512 50 0 CDAAMP Cc1c[nH+]c(N)nc1N(C)CC[C@H](C)[NH+]1CCCC1 ZINC000091424929 390889753 /nfs/dbraw/zinc/88/97/53/390889753.db2.gz KOAWLUILMXZQDZ-LBPRGKRZSA-N 2 1 263.389 1.678 50 0 CDAAMP CC(C)[NH2+]C[C@H](O)C[NH2+][C@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610570 275657009 /nfs/dbraw/zinc/65/70/09/275657009.db2.gz AANQMDAPDINSQM-WWGRRREGSA-N 2 1 294.395 1.163 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[NH+]2CCCCCC2)c1C ZINC000670439117 482982818 /nfs/dbraw/zinc/98/28/18/482982818.db2.gz ISGPDKOLHMQOOQ-UHFFFAOYSA-N 2 1 278.400 1.492 50 0 CDAAMP CSc1nc(N(C)C[C@H]2CCC[N@H+]2C)cc(N)[nH+]1 ZINC000156843174 1178193987 /nfs/dbraw/zinc/19/39/87/1178193987.db2.gz ICAUVDLFUMYZOA-SECBINFHSA-N 2 1 267.402 1.311 50 0 CDAAMP C[C@@H]1[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[C@@H]1[NH3+] ZINC000757211889 574906647 /nfs/dbraw/zinc/90/66/47/574906647.db2.gz KQKXTGCKNQULAL-SSRBZLIGSA-N 2 1 265.323 1.385 50 0 CDAAMP CC[C@H]1C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1C(C)C ZINC000952980816 615915795 /nfs/dbraw/zinc/91/57/95/615915795.db2.gz KYFMNZPMZBCCLY-BYNSBNAKSA-N 2 1 251.418 1.256 50 0 CDAAMP CC[C@H]1CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC[N@@H+]1C(C)C ZINC000952980816 615915796 /nfs/dbraw/zinc/91/57/96/615915796.db2.gz KYFMNZPMZBCCLY-BYNSBNAKSA-N 2 1 251.418 1.256 50 0 CDAAMP CC[C@H]1CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC[N@H+]1C(C)C ZINC000952980816 615915797 /nfs/dbraw/zinc/91/57/97/615915797.db2.gz KYFMNZPMZBCCLY-BYNSBNAKSA-N 2 1 251.418 1.256 50 0 CDAAMP CSc1nc(N(C)C[C@H]2CCC[N@@H+]2C)cc(N)[nH+]1 ZINC000156843174 1178193983 /nfs/dbraw/zinc/19/39/83/1178193983.db2.gz ICAUVDLFUMYZOA-SECBINFHSA-N 2 1 267.402 1.311 50 0 CDAAMP CCC[NH+]1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000004030534 837209457 /nfs/dbraw/zinc/20/94/57/837209457.db2.gz SIAGKKVXHNAWGE-ZDUSSCGKSA-N 2 1 253.390 1.119 50 0 CDAAMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@](C)(O)c1ccsc1 ZINC000863984336 838794606 /nfs/dbraw/zinc/79/46/06/838794606.db2.gz TUPFNXOWQJVBLQ-KNUOEEMSSA-N 2 1 280.437 1.885 50 0 CDAAMP Cc1nc(C[NH3+])cc(N(C)CC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000067872670 839997833 /nfs/dbraw/zinc/99/78/33/839997833.db2.gz PPXSJYVSVCUIGN-LBPRGKRZSA-N 2 1 277.416 1.554 50 0 CDAAMP COCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnccc2Cl)C1 ZINC000952869598 910422013 /nfs/dbraw/zinc/42/20/13/910422013.db2.gz WJAMQSAAWQICAX-GFCCVEGCSA-N 2 1 283.803 1.793 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+]Cc2cnccc2Cl)C1 ZINC000952869598 910422023 /nfs/dbraw/zinc/42/20/23/910422023.db2.gz WJAMQSAAWQICAX-GFCCVEGCSA-N 2 1 283.803 1.793 50 0 CDAAMP C[NH+]1CCN(C2(CNc3cc[nH+]cc3)CCCC2)CC1 ZINC000823789452 925733024 /nfs/dbraw/zinc/73/30/24/925733024.db2.gz RFLKBONPBAVJDW-UHFFFAOYSA-N 2 1 274.412 1.476 50 0 CDAAMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000585089116 930911907 /nfs/dbraw/zinc/91/19/07/930911907.db2.gz HDBRVQVYZMGVHZ-ZIAGYGMSSA-N 2 1 267.417 1.223 50 0 CDAAMP CC[N@@H+]1CCC[C@@]2(CCC[NH+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154568 /nfs/dbraw/zinc/15/45/68/975154568.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[N@H+]1CCC[C@@]2(CCC[NH+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154570 /nfs/dbraw/zinc/15/45/70/975154570.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[NH+]1CCC[C@@]2(CCC[N@H+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154572 /nfs/dbraw/zinc/15/45/72/975154572.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[NH+]1CCC[C@@]2(CCC[N@@H+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154574 /nfs/dbraw/zinc/15/45/74/975154574.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 2 1 291.443 1.784 50 0 CDAAMP COCCCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCC2)CC1 ZINC000584901059 349363286 /nfs/dbraw/zinc/36/32/86/349363286.db2.gz SZENDMJJYAEVKT-HNNXBMFYSA-N 2 1 297.443 1.042 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@@H](C)C1 ZINC000195563332 358565511 /nfs/dbraw/zinc/56/55/11/358565511.db2.gz PHRYXUSUVCPLHH-KBPBESRZSA-N 2 1 298.427 1.276 50 0 CDAAMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C[C@H]1O ZINC000426424255 360667620 /nfs/dbraw/zinc/66/76/20/360667620.db2.gz MOGKXRYTYQXIMQ-NVXWUHKLSA-N 2 1 283.375 1.643 50 0 CDAAMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C[C@H]1O ZINC000426424255 360667626 /nfs/dbraw/zinc/66/76/26/360667626.db2.gz MOGKXRYTYQXIMQ-NVXWUHKLSA-N 2 1 283.375 1.643 50 0 CDAAMP COC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000089800794 366936922 /nfs/dbraw/zinc/93/69/22/366936922.db2.gz UIVJVLFGLSPPQT-INIZCTEOSA-N 2 1 278.396 1.248 50 0 CDAAMP CC(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252511632 367678308 /nfs/dbraw/zinc/67/83/08/367678308.db2.gz IWMRMUHLKWTPGN-IKGGRYGDSA-N 2 1 295.471 1.560 50 0 CDAAMP CCn1cc[nH+]c1C1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000091650923 135072734 /nfs/dbraw/zinc/07/27/34/135072734.db2.gz NDIBCUNPJIYKNO-UHFFFAOYSA-N 2 1 286.383 1.968 50 0 CDAAMP Cc1nc(N)cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000092066117 135075231 /nfs/dbraw/zinc/07/52/31/135075231.db2.gz AEAKLAWGJXNVBU-UHFFFAOYSA-N 2 1 270.340 1.089 50 0 CDAAMP COCc1nc(C[NH2+]C2CCC3(CC[NH2+]CC3)CC2)no1 ZINC000071278615 176108412 /nfs/dbraw/zinc/10/84/12/176108412.db2.gz UGPDYIHJVOPVQI-UHFFFAOYSA-N 2 1 294.399 1.618 50 0 CDAAMP CC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000195554429 288110450 /nfs/dbraw/zinc/11/04/50/288110450.db2.gz FPYGLYJUZHQGFG-QXULXFAOSA-N 2 1 281.444 1.000 50 0 CDAAMP [NH3+]CC[C@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000534665549 328345009 /nfs/dbraw/zinc/34/50/09/328345009.db2.gz HDSZFWLIGMJQTQ-ZDUSSCGKSA-N 2 1 260.341 1.113 50 0 CDAAMP [NH3+]CC[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000534665549 328345011 /nfs/dbraw/zinc/34/50/11/328345011.db2.gz HDSZFWLIGMJQTQ-ZDUSSCGKSA-N 2 1 260.341 1.113 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000089800814 327173580 /nfs/dbraw/zinc/17/35/80/327173580.db2.gz QQWMSFRMJULHMO-QGZVFWFLSA-N 2 1 292.423 1.556 50 0 CDAAMP CC(C)=CCC[N@@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529173106 969002501 /nfs/dbraw/zinc/00/25/01/969002501.db2.gz MIPHUECICBOAQU-OAHLLOKOSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[N@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529173106 969002515 /nfs/dbraw/zinc/00/25/15/969002515.db2.gz MIPHUECICBOAQU-OAHLLOKOSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[NH+](C)C[C@H]1CCC[N@H+](CCO)C1 ZINC001529173106 969002528 /nfs/dbraw/zinc/00/25/28/969002528.db2.gz MIPHUECICBOAQU-OAHLLOKOSA-N 2 1 254.418 1.979 50 0 CDAAMP CC(C)=CCC[NH+](C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC001529173106 969002541 /nfs/dbraw/zinc/00/25/41/969002541.db2.gz MIPHUECICBOAQU-OAHLLOKOSA-N 2 1 254.418 1.979 50 0 CDAAMP Cc1[nH+]cn(CC[NH2+]CC(C)(C)CN2CCOCC2)c1C ZINC000952986443 845799981 /nfs/dbraw/zinc/79/99/81/845799981.db2.gz FSCZGVWMBJKFHW-UHFFFAOYSA-N 2 1 294.443 1.448 50 0 CDAAMP Cc1c[nH+]ccc1N1CC[NH+](CCN2CCCC2=O)CC1 ZINC001506398642 975148840 /nfs/dbraw/zinc/14/88/40/975148840.db2.gz OTZCYLTUURWTLG-UHFFFAOYSA-N 2 1 288.395 1.134 50 0 CDAAMP CC(C)[N@H+]1CC[C@H](C[NH+](C)CCCn2ccnc2)C1 ZINC001506402950 975150324 /nfs/dbraw/zinc/15/03/24/975150324.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 2 1 264.417 1.935 50 0 CDAAMP CC(C)[NH+]1CC[C@H](C[N@H+](C)CCCn2ccnc2)C1 ZINC001506402950 975150328 /nfs/dbraw/zinc/15/03/28/975150328.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 2 1 264.417 1.935 50 0 CDAAMP CC(C)[NH+]1CC[C@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC001506402950 975150329 /nfs/dbraw/zinc/15/03/29/975150329.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 2 1 264.417 1.935 50 0 CDAAMP O=C1OCC[C@H]1[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200606 342217080 /nfs/dbraw/zinc/21/70/80/342217080.db2.gz FDMBSGRNRXRPPA-VXGBXAGGSA-N 2 1 261.325 1.131 50 0 CDAAMP C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000685939540 539045795 /nfs/dbraw/zinc/04/57/95/539045795.db2.gz YQXMSUPDGINDGU-HOTGVXAUSA-N 2 1 293.455 1.948 50 0 CDAAMP CC[N@@H+](C)C[C@@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091518848 180177581 /nfs/dbraw/zinc/17/75/81/180177581.db2.gz NNPXTWJQIUJPFW-VIFPVBQESA-N 2 1 251.378 1.675 50 0 CDAAMP CCc1[nH+]c(N)nc(NC[C@H]2CC[N@@H+](CCOC)C2)c1C ZINC000092045756 180311451 /nfs/dbraw/zinc/31/14/51/180311451.db2.gz NRSWRQZEMAYPAE-GFCCVEGCSA-N 2 1 293.415 1.310 50 0 CDAAMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH3+])cc2)C[C@@H](C)O1 ZINC000037049820 363331251 /nfs/dbraw/zinc/33/12/51/363331251.db2.gz QLIRRHFEZCKROH-ZIAGYGMSSA-N 2 1 278.396 1.676 50 0 CDAAMP C[NH+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000019889855 356514135 /nfs/dbraw/zinc/51/41/35/356514135.db2.gz UGLRLWLHIAIMSJ-UHFFFAOYSA-N 2 1 274.412 1.293 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000095371568 358687697 /nfs/dbraw/zinc/68/76/97/358687697.db2.gz LMZXWCRLKQDDDZ-OAHLLOKOSA-N 2 1 290.411 1.793 50 0 CDAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000244601772 377794042 /nfs/dbraw/zinc/79/40/42/377794042.db2.gz DRMCUGZGVWXYSD-OAGGEKHMSA-N 2 1 293.455 1.838 50 0 CDAAMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000195554600 393294973 /nfs/dbraw/zinc/29/49/73/393294973.db2.gz UUIVQKHBAVRWQA-XNISGKROSA-N 2 1 293.455 1.835 50 0 CDAAMP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000004989487 170050266 /nfs/dbraw/zinc/05/02/66/170050266.db2.gz QFEAWYUHUIPEQP-UHFFFAOYSA-N 2 1 262.353 1.989 50 0 CDAAMP CC1(C[N@H+]2CCC3(C2)CC[NH2+]CC3)CCOCC1 ZINC000426427883 698471156 /nfs/dbraw/zinc/47/11/56/698471156.db2.gz DUSJLZIKXWUIOG-UHFFFAOYSA-N 2 1 252.402 1.879 50 0 CDAAMP CC[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147237 848162996 /nfs/dbraw/zinc/16/29/96/848162996.db2.gz AUXQACSRGCSPED-MRXNPFEDSA-N 2 1 281.444 1.709 50 0 CDAAMP Cc1nc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)co1 ZINC000072168760 850075013 /nfs/dbraw/zinc/07/50/13/850075013.db2.gz SLANNVLZTMOBTQ-AWEZNQCLSA-N 2 1 267.373 1.262 50 0 CDAAMP Cc1nc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)co1 ZINC000072168760 850075025 /nfs/dbraw/zinc/07/50/25/850075025.db2.gz SLANNVLZTMOBTQ-AWEZNQCLSA-N 2 1 267.373 1.262 50 0 CDAAMP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCCC[N@H+]1C ZINC000823693046 925723090 /nfs/dbraw/zinc/72/30/90/925723090.db2.gz IIWGXPAXWXLVGG-ZDUSSCGKSA-N 2 1 255.406 1.271 50 0 CDAAMP CN1CCC[N@@H+](CC[C@@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000823778381 925729830 /nfs/dbraw/zinc/72/98/30/925729830.db2.gz RNGBLNUHOIJFKA-OAHLLOKOSA-N 2 1 281.444 1.173 50 0 CDAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000097377012 342002971 /nfs/dbraw/zinc/00/29/71/342002971.db2.gz JXRBIXRNEYYGPF-ZDUSSCGKSA-N 2 1 289.379 1.960 50 0 CDAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000097377012 342002972 /nfs/dbraw/zinc/00/29/72/342002972.db2.gz JXRBIXRNEYYGPF-ZDUSSCGKSA-N 2 1 289.379 1.960 50 0 CDAAMP COC(=O)C1(C[NH2+]C2CC[NH+](C)CC2)CCCCC1 ZINC000097378085 342003188 /nfs/dbraw/zinc/00/31/88/342003188.db2.gz NQDMQEAVHKYJNR-UHFFFAOYSA-N 2 1 268.401 1.794 50 0 CDAAMP Cc1cc(OCCOCC[NH2+]CC[NH3+])ccc1Cl ZINC000019772609 356502014 /nfs/dbraw/zinc/50/20/14/356502014.db2.gz OWUMPZGKMXNKQU-UHFFFAOYSA-N 2 1 272.776 1.592 50 0 CDAAMP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072476559 357837817 /nfs/dbraw/zinc/83/78/17/357837817.db2.gz UIBJMQZHUPHSMI-UHFFFAOYSA-N 2 1 297.443 1.881 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCC[C@H](C)[N@@H+](C)CC ZINC000095355665 358683252 /nfs/dbraw/zinc/68/32/52/358683252.db2.gz JFDWDDSUVPEWMO-JTQLQIEISA-N 2 1 251.378 1.763 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCC[C@H](C)[N@H+](C)CC ZINC000095355665 358683255 /nfs/dbraw/zinc/68/32/55/358683255.db2.gz JFDWDDSUVPEWMO-JTQLQIEISA-N 2 1 251.378 1.763 50 0 CDAAMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000097823438 358801058 /nfs/dbraw/zinc/80/10/58/358801058.db2.gz VDKHESUVGPNGLD-AWEZNQCLSA-N 2 1 252.333 1.684 50 0 CDAAMP Cc1cc(F)ccc1C[N@H+]1CCO[C@@H](CC[NH3+])C1 ZINC000097823438 358801063 /nfs/dbraw/zinc/80/10/63/358801063.db2.gz VDKHESUVGPNGLD-AWEZNQCLSA-N 2 1 252.333 1.684 50 0 CDAAMP Cc1[nH+]ccn1CCNC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000426668263 360694372 /nfs/dbraw/zinc/69/43/72/360694372.db2.gz HFDBVHPTIAKJMQ-BETUJISGSA-N 2 1 278.400 1.571 50 0 CDAAMP Cc1[nH+]ccn1CCNC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000426668263 360694374 /nfs/dbraw/zinc/69/43/74/360694374.db2.gz HFDBVHPTIAKJMQ-BETUJISGSA-N 2 1 278.400 1.571 50 0 CDAAMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738847 375199652 /nfs/dbraw/zinc/19/96/52/375199652.db2.gz HGDZUPIHBXPBAJ-KGLIPLIRSA-N 2 1 267.417 1.319 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000263260958 290391253 /nfs/dbraw/zinc/39/12/53/290391253.db2.gz MHHISMLNTUUUNR-XHSDSOJGSA-N 2 1 293.455 1.851 50 0 CDAAMP C[C@H](c1cnccn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000097094882 567904250 /nfs/dbraw/zinc/90/42/50/567904250.db2.gz RGQIXNORXCMUOF-HLPPOEQASA-N 2 1 272.396 1.954 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711455 1159446243 /nfs/dbraw/zinc/44/62/43/1159446243.db2.gz YZVUTMBLYXAVPR-BBRMVZONSA-N 2 1 264.413 1.613 50 0 CDAAMP CC[NH+]1CCN(CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000020909515 705684544 /nfs/dbraw/zinc/68/45/44/705684544.db2.gz AXDTVLZFFNROJA-UHFFFAOYSA-N 2 1 273.424 1.682 50 0 CDAAMP CC1(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000426722440 710808089 /nfs/dbraw/zinc/80/80/89/710808089.db2.gz MYVIQARGXNCWTN-OAHLLOKOSA-N 2 1 252.402 1.879 50 0 CDAAMP CCNC(=O)N1CCC([NH2+][C@H](C)C[NH+](CC)CC)CC1 ZINC000095986446 185056422 /nfs/dbraw/zinc/05/64/22/185056422.db2.gz GPQGYKCBTFHDHK-CYBMUJFWSA-N 2 1 284.448 1.500 50 0 CDAAMP CCOC(=O)N1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000584888073 349346433 /nfs/dbraw/zinc/34/64/33/349346433.db2.gz XYBWXCHDSGRXRX-GFCCVEGCSA-N 2 1 266.345 1.012 50 0 CDAAMP CC(C)[N@H+](CC(=O)N1CCN(C)CC1)C[C@@H]1C[C@H]1C ZINC000093193983 351321207 /nfs/dbraw/zinc/32/12/07/351321207.db2.gz MFJCFWOMZNGVGY-KGLIPLIRSA-N 2 1 267.417 1.127 50 0 CDAAMP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004253237 356023816 /nfs/dbraw/zinc/02/38/16/356023816.db2.gz NGOVHDBEXKOVET-UHFFFAOYSA-N 2 1 287.407 1.330 50 0 CDAAMP CC(=O)N1CCC([N@H+]2CCC[C@@H](Cn3ccnc3)C2)CC1 ZINC000065501365 357545398 /nfs/dbraw/zinc/54/53/98/357545398.db2.gz CCXSCWZALNOZHB-HNNXBMFYSA-N 2 1 290.411 1.606 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095359307 358684248 /nfs/dbraw/zinc/68/42/48/358684248.db2.gz QZJXSBNOSDWUAF-AWEZNQCLSA-N 2 1 292.427 1.826 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095359307 358684253 /nfs/dbraw/zinc/68/42/53/358684253.db2.gz QZJXSBNOSDWUAF-AWEZNQCLSA-N 2 1 292.427 1.826 50 0 CDAAMP COc1coc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1=O ZINC000358509022 367736056 /nfs/dbraw/zinc/73/60/56/367736056.db2.gz PRGQPBGKCLPOBQ-UHFFFAOYSA-N 2 1 278.352 1.224 50 0 CDAAMP C[C@@H](C[NH3+])Oc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC000299787043 372761504 /nfs/dbraw/zinc/76/15/04/372761504.db2.gz OURHKPZSIYJBBQ-AWEZNQCLSA-N 2 1 291.439 1.939 50 0 CDAAMP C[C@@H](C[NH3+])Oc1cccc(CN(C)C2CC[NH+](C)CC2)c1 ZINC000299787043 372761510 /nfs/dbraw/zinc/76/15/10/372761510.db2.gz OURHKPZSIYJBBQ-AWEZNQCLSA-N 2 1 291.439 1.939 50 0 CDAAMP COCCC[N@H+]1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000065529411 390552214 /nfs/dbraw/zinc/55/22/14/390552214.db2.gz UPWTZWOOIOSNAI-ZDUSSCGKSA-N 2 1 272.458 1.830 50 0 CDAAMP CCCC[NH+]1CCC(CNc2nnc(C[NH3+])o2)CC1 ZINC001772709342 1159443689 /nfs/dbraw/zinc/44/36/89/1159443689.db2.gz FVVORXBHIOSSDH-UHFFFAOYSA-N 2 1 267.377 1.452 50 0 CDAAMP CC[C@H](C(=O)N1CC[NH+](CC2CCC2)CC1)[N@@H+](C)CC ZINC000952974661 615601395 /nfs/dbraw/zinc/60/13/95/615601395.db2.gz QJFSGROMGVNPKV-OAHLLOKOSA-N 2 1 281.444 1.661 50 0 CDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1nncn1C(C)C ZINC000821182131 925567288 /nfs/dbraw/zinc/56/72/88/925567288.db2.gz YTDMRVFJRIUCDR-LBPRGKRZSA-N 2 1 276.388 1.932 50 0 CDAAMP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[N@@H+]1C ZINC000823795803 925732936 /nfs/dbraw/zinc/73/29/36/925732936.db2.gz WMZFMNRDVLKEMA-ZDUSSCGKSA-N 2 1 253.390 1.025 50 0 CDAAMP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[N@H+]1C ZINC000823795803 925732942 /nfs/dbraw/zinc/73/29/42/925732942.db2.gz WMZFMNRDVLKEMA-ZDUSSCGKSA-N 2 1 253.390 1.025 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCCn1ccnc1 ZINC001506413756 975154141 /nfs/dbraw/zinc/15/41/41/975154141.db2.gz KKWRHICEODDXPV-CYBMUJFWSA-N 2 1 261.373 1.710 50 0 CDAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000253537315 362437081 /nfs/dbraw/zinc/43/70/81/362437081.db2.gz LXVFUDHAUXOMKH-SNVBAGLBSA-N 2 1 275.327 1.860 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000253537315 362437085 /nfs/dbraw/zinc/43/70/85/362437085.db2.gz LXVFUDHAUXOMKH-SNVBAGLBSA-N 2 1 275.327 1.860 50 0 CDAAMP CCc1c[nH+]c(N)nc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000095361519 358685869 /nfs/dbraw/zinc/68/58/69/358685869.db2.gz CXEPNUJECLFIOD-AWEZNQCLSA-N 2 1 283.379 1.772 50 0 CDAAMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178551750 189126095 /nfs/dbraw/zinc/12/60/95/189126095.db2.gz LDNNGYPSMAVLIK-GXTWGEPZSA-N 2 1 261.369 1.097 50 0 CDAAMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)C2)c(-c2ccncc2)n1 ZINC000089749873 366927756 /nfs/dbraw/zinc/92/77/56/366927756.db2.gz GTFJQSOXYDLZJR-CYBMUJFWSA-N 2 1 285.395 1.523 50 0 CDAAMP C[N@H+]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420733 374923511 /nfs/dbraw/zinc/92/35/11/374923511.db2.gz SCZOYHXMZOPBKA-OAHLLOKOSA-N 2 1 251.418 1.545 50 0 CDAAMP CN1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000095420733 374923515 /nfs/dbraw/zinc/92/35/15/374923515.db2.gz SCZOYHXMZOPBKA-OAHLLOKOSA-N 2 1 251.418 1.545 50 0 CDAAMP CCOC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245289666 378045833 /nfs/dbraw/zinc/04/58/33/378045833.db2.gz DIIJGYMCKOAPRN-MJBXVCDLSA-N 2 1 267.373 1.163 50 0 CDAAMP C[C@@H](C(N)=O)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821646 135077252 /nfs/dbraw/zinc/07/72/52/135077252.db2.gz INZHNGFEGXCBED-ZDUSSCGKSA-N 2 1 290.411 1.494 50 0 CDAAMP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCC[NH2+]C3)C2 ZINC000072130775 176321896 /nfs/dbraw/zinc/32/18/96/176321896.db2.gz UCHWMERQPLVHJA-LSDHHAIUSA-N 2 1 289.427 1.045 50 0 CDAAMP Cc1c[nH+]c(N2CCC3(C2)CC[NH+](C)CC3)nc1N ZINC000065493182 281600192 /nfs/dbraw/zinc/60/01/92/281600192.db2.gz BHKNZZBXKTWXAS-UHFFFAOYSA-N 2 1 261.373 1.289 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000240540879 297099289 /nfs/dbraw/zinc/09/92/89/297099289.db2.gz GPXXOKMAIMUDTG-SNPRPXQTSA-N 2 1 277.412 1.023 50 0 CDAAMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nncn1C ZINC000952862204 910416293 /nfs/dbraw/zinc/41/62/93/910416293.db2.gz NHEIHQLDDLUHSQ-LLVKDONJSA-N 2 1 259.357 1.167 50 0 CDAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067982053 936621145 /nfs/dbraw/zinc/62/11/45/936621145.db2.gz LIIGSTKTQLUFEX-GFCCVEGCSA-N 2 1 269.352 1.319 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067982053 936621146 /nfs/dbraw/zinc/62/11/46/936621146.db2.gz LIIGSTKTQLUFEX-GFCCVEGCSA-N 2 1 269.352 1.319 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCCC(=O)N(C)C ZINC001506396089 975148240 /nfs/dbraw/zinc/14/82/40/975148240.db2.gz NBVAREZDGBLXAH-LBPRGKRZSA-N 2 1 266.389 1.292 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000584885249 349343207 /nfs/dbraw/zinc/34/32/07/349343207.db2.gz LHAJYHBVTXYMDP-VIFPVBQESA-N 2 1 281.791 1.169 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000584885249 349343211 /nfs/dbraw/zinc/34/32/11/349343211.db2.gz LHAJYHBVTXYMDP-VIFPVBQESA-N 2 1 281.791 1.169 50 0 CDAAMP CC[N@H+]1CCC[C@H](N2CC[NH+](C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083764 /nfs/dbraw/zinc/08/37/64/357083764.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@H](N2CC[N@H+](C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083767 /nfs/dbraw/zinc/08/37/67/357083767.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@H](N2CC[N@@H+](C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083770 /nfs/dbraw/zinc/08/37/70/357083770.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 2 1 253.434 1.885 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(NCc3ccccc3)nc2)C1 ZINC000067758090 357625415 /nfs/dbraw/zinc/62/54/15/357625415.db2.gz KHRXQLCMLVVHNH-HNNXBMFYSA-N 2 1 297.406 1.869 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(NCc3ccccc3)nc2)C1 ZINC000067758090 357625418 /nfs/dbraw/zinc/62/54/18/357625418.db2.gz KHRXQLCMLVVHNH-HNNXBMFYSA-N 2 1 297.406 1.869 50 0 CDAAMP C[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072468145 357836976 /nfs/dbraw/zinc/83/69/76/357836976.db2.gz SGDFCEGSIAIUFL-CQSZACIVSA-N 2 1 295.814 1.640 50 0 CDAAMP Cc1c(F)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC000216300850 358936441 /nfs/dbraw/zinc/93/64/41/358936441.db2.gz QQZKCZQPBNIAGY-INIZCTEOSA-N 2 1 291.414 1.956 50 0 CDAAMP Cc1c(F)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)C1 ZINC000216300850 358936444 /nfs/dbraw/zinc/93/64/44/358936444.db2.gz QQZKCZQPBNIAGY-INIZCTEOSA-N 2 1 291.414 1.956 50 0 CDAAMP C[NH2+]CCC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000261965077 359590784 /nfs/dbraw/zinc/59/07/84/359590784.db2.gz ARPBUXSKTSEMPR-UHFFFAOYSA-N 2 1 280.368 1.470 50 0 CDAAMP O[C@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCOCC1 ZINC000095428399 374926829 /nfs/dbraw/zinc/92/68/29/374926829.db2.gz ARXMAQJVDZEODT-CYBMUJFWSA-N 2 1 287.363 1.340 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000242302101 376021590 /nfs/dbraw/zinc/02/15/90/376021590.db2.gz YPNWMTLDJLDHDB-KBUPBQIOSA-N 2 1 282.428 1.358 50 0 CDAAMP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](C)CC2)n1 ZINC000120727030 412997881 /nfs/dbraw/zinc/99/78/81/412997881.db2.gz HYXLVGCYAMYHMB-UHFFFAOYSA-N 2 1 250.390 1.574 50 0 CDAAMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H]2C=CCCC2)CC1 ZINC000178732502 391809144 /nfs/dbraw/zinc/80/91/44/391809144.db2.gz RXWJXZNFHZUSMX-GJZGRUSLSA-N 2 1 277.412 1.334 50 0 CDAAMP C[C@@H]1CC(C)(C)NCC[NH2+][C@H](C)CC(C)(C)NCC[NH2+]1 ZINC000019939484 287219958 /nfs/dbraw/zinc/21/99/58/287219958.db2.gz XHCNINMOALIGKM-ZIAGYGMSSA-N 2 1 284.492 1.473 50 0 CDAAMP c1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c1)OCO2 ZINC000037409509 173186029 /nfs/dbraw/zinc/18/60/29/173186029.db2.gz XAACTYPCVBJSLF-LBPRGKRZSA-N 2 1 274.364 1.989 50 0 CDAAMP c1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c1)OCO2 ZINC000037409509 173186030 /nfs/dbraw/zinc/18/60/30/173186030.db2.gz XAACTYPCVBJSLF-LBPRGKRZSA-N 2 1 274.364 1.989 50 0 CDAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670443475 482988176 /nfs/dbraw/zinc/98/81/76/482988176.db2.gz ZNRNJXRADNYCOZ-GFCCVEGCSA-N 2 1 284.367 1.803 50 0 CDAAMP CCN(C[C@H]1CC[N@H+](CC)C1)C(=O)CCn1cc[nH+]c1C ZINC000952981554 615271097 /nfs/dbraw/zinc/27/10/97/615271097.db2.gz ISCWNFGIRWFMAZ-HNNXBMFYSA-N 2 1 292.427 1.772 50 0 CDAAMP CCN(C[C@H]1CC[N@@H+](CC)C1)C(=O)CCn1cc[nH+]c1C ZINC000952981554 615271098 /nfs/dbraw/zinc/27/10/98/615271098.db2.gz ISCWNFGIRWFMAZ-HNNXBMFYSA-N 2 1 292.427 1.772 50 0 CDAAMP CCC[NH+](CCC)C1CCN(c2nnc(C[NH3+])o2)CC1 ZINC001772710078 1159444515 /nfs/dbraw/zinc/44/45/15/1159444515.db2.gz LWYGTOBQTDQWND-UHFFFAOYSA-N 2 1 281.404 1.619 50 0 CDAAMP CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC001506408379 975153379 /nfs/dbraw/zinc/15/33/79/975153379.db2.gz RVYOBOLXVCJWMS-AWEZNQCLSA-N 2 1 281.444 1.566 50 0 CDAAMP COCC[NH+]1CCC(C[N@H+](C)Cc2nc(C)c[nH]2)CC1 ZINC001506414692 975155654 /nfs/dbraw/zinc/15/56/54/975155654.db2.gz SOXGUURVWSPBMB-UHFFFAOYSA-N 2 1 280.416 1.508 50 0 CDAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2nc(C)c[nH]2)CC1 ZINC001506414692 975155659 /nfs/dbraw/zinc/15/56/59/975155659.db2.gz SOXGUURVWSPBMB-UHFFFAOYSA-N 2 1 280.416 1.508 50 0 CDAAMP CC[N@H+]1CCC[C@H](C[NH+]2CCC(OCCOC)CC2)C1 ZINC000019114390 356475270 /nfs/dbraw/zinc/47/52/70/356475270.db2.gz WTKPPPMODPIDBS-HNNXBMFYSA-N 2 1 284.444 1.846 50 0 CDAAMP Cc1cc(N2CC[NH+](Cc3cccnc3N)CC2)cc(C)[nH+]1 ZINC000072476594 357838108 /nfs/dbraw/zinc/83/81/08/357838108.db2.gz MEYFSNBUOWHSPR-UHFFFAOYSA-N 2 1 297.406 1.998 50 0 CDAAMP [NH3+][C@H](c1nc(C2CCOCC2)nn1-c1cc[nH+]cc1)C1CC1 ZINC000097499451 358780441 /nfs/dbraw/zinc/78/04/41/358780441.db2.gz MSCRWVQEZYRCKP-AWEZNQCLSA-N 2 1 299.378 1.966 50 0 CDAAMP O[C@]1(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000216596229 358952490 /nfs/dbraw/zinc/95/24/90/358952490.db2.gz SSBRBXOPDPGDLY-MRXNPFEDSA-N 2 1 293.386 1.062 50 0 CDAAMP CC[NH+]1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000089977281 366993830 /nfs/dbraw/zinc/99/38/30/366993830.db2.gz LGALXWZQMBIJPU-CYBMUJFWSA-N 2 1 284.448 1.310 50 0 CDAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644596 369502383 /nfs/dbraw/zinc/50/23/83/369502383.db2.gz FPJPTROESSINCF-ZDUSSCGKSA-N 2 1 285.395 1.903 50 0 CDAAMP CC(C)SCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000375876484 371012771 /nfs/dbraw/zinc/01/27/71/371012771.db2.gz QLYBNKLNYBDHDW-CQSZACIVSA-N 2 1 299.484 1.366 50 0 CDAAMP Cc1cc(N2CCC[N@@H+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000244900019 376023228 /nfs/dbraw/zinc/02/32/28/376023228.db2.gz ZUPAMLROIQTGSE-OAHLLOKOSA-N 2 1 275.396 1.939 50 0 CDAAMP COCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020455216 171208479 /nfs/dbraw/zinc/20/84/79/171208479.db2.gz YZNDEMLNKWKAHE-CVEARBPZSA-N 2 1 290.407 1.302 50 0 CDAAMP C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H]([NH3+])C1 ZINC000757209126 577035856 /nfs/dbraw/zinc/03/58/56/577035856.db2.gz FYDKCBZQGYYGEM-VPJKUYQRSA-N 2 1 265.323 1.242 50 0 CDAAMP Cc1nnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000299791001 678089559 /nfs/dbraw/zinc/08/95/59/678089559.db2.gz CGPDMIHPJKDBIQ-UHFFFAOYSA-N 2 1 252.387 1.422 50 0 CDAAMP Cc1nnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000299791001 678089563 /nfs/dbraw/zinc/08/95/63/678089563.db2.gz CGPDMIHPJKDBIQ-UHFFFAOYSA-N 2 1 252.387 1.422 50 0 CDAAMP C/C=C(\C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC000820390617 925522204 /nfs/dbraw/zinc/52/22/04/925522204.db2.gz SEUYDHDGYNLQKG-HZRBCOPISA-N 2 1 293.455 1.877 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000821495626 925588201 /nfs/dbraw/zinc/58/82/01/925588201.db2.gz SXZIDXQEAFDENB-ZDUSSCGKSA-N 3 1 273.384 1.407 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000823764920 925727926 /nfs/dbraw/zinc/72/79/26/925727926.db2.gz OYLXZTCLCUNOHO-AWEZNQCLSA-N 3 1 294.443 1.671 50 0 CDAAMP OC[C@H]1CCC[N@@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000828711304 926169288 /nfs/dbraw/zinc/16/92/88/926169288.db2.gz ZGLXCXAGYBZTQN-AWEZNQCLSA-N 2 1 285.391 1.773 50 0 CDAAMP OC[C@@H]1C[NH2+]CCC12CC[NH+](CCN1CCCCC1)CC2 ZINC000219619518 930891670 /nfs/dbraw/zinc/89/16/70/930891670.db2.gz AUNTZKKTQKNTNN-INIZCTEOSA-N 2 1 295.471 1.156 50 0 CDAAMP C[NH+](C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](CC1CCC1)C2 ZINC000222782589 230398764 /nfs/dbraw/zinc/39/87/64/230398764.db2.gz SNISBODOUULBRR-INIZCTEOSA-N 2 1 292.427 1.484 50 0 CDAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000685939656 539045757 /nfs/dbraw/zinc/04/57/57/539045757.db2.gz NDYSVAOORRUXHO-WCVJEAGWSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000685939656 539045758 /nfs/dbraw/zinc/04/57/58/539045758.db2.gz NDYSVAOORRUXHO-WCVJEAGWSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000685939656 539045759 /nfs/dbraw/zinc/04/57/59/539045759.db2.gz NDYSVAOORRUXHO-WCVJEAGWSA-N 2 1 265.445 1.932 50 0 CDAAMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000091692836 180228814 /nfs/dbraw/zinc/22/88/14/180228814.db2.gz KFBKPIVODDPZQT-UHFFFAOYSA-N 2 1 260.381 1.983 50 0 CDAAMP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432471 357835196 /nfs/dbraw/zinc/83/51/96/357835196.db2.gz BANFVMMRQSBSPV-INIZCTEOSA-N 2 1 273.380 1.666 50 0 CDAAMP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072432471 357835198 /nfs/dbraw/zinc/83/51/98/357835198.db2.gz BANFVMMRQSBSPV-INIZCTEOSA-N 2 1 273.380 1.666 50 0 CDAAMP CNC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072133386 283302578 /nfs/dbraw/zinc/30/25/78/283302578.db2.gz YOXIRZIBPPWTGI-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP CNC(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000072133386 283302579 /nfs/dbraw/zinc/30/25/79/283302579.db2.gz YOXIRZIBPPWTGI-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072133386 283302581 /nfs/dbraw/zinc/30/25/81/283302581.db2.gz YOXIRZIBPPWTGI-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP CNC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072133386 283302584 /nfs/dbraw/zinc/30/25/84/283302584.db2.gz YOXIRZIBPPWTGI-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP O=C1OCC[C@H]1[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200605 358188430 /nfs/dbraw/zinc/18/84/30/358188430.db2.gz FDMBSGRNRXRPPA-NWDGAFQWSA-N 2 1 261.325 1.131 50 0 CDAAMP O=C1CCCN1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000089819103 366941556 /nfs/dbraw/zinc/94/15/56/366941556.db2.gz AQPZLNLMKHRRQH-UHFFFAOYSA-N 2 1 279.428 1.559 50 0 CDAAMP CCOC(=O)C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089983614 367001715 /nfs/dbraw/zinc/00/17/15/367001715.db2.gz GTEGMCWFKAZKCU-CQSZACIVSA-N 2 1 268.401 1.746 50 0 CDAAMP CCOC(=O)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089983614 367001722 /nfs/dbraw/zinc/00/17/22/367001722.db2.gz GTEGMCWFKAZKCU-CQSZACIVSA-N 2 1 268.401 1.746 50 0 CDAAMP CC(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252511633 367678379 /nfs/dbraw/zinc/67/83/79/367678379.db2.gz IWMRMUHLKWTPGN-ULQDDVLXSA-N 2 1 295.471 1.560 50 0 CDAAMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000037644344 369505921 /nfs/dbraw/zinc/50/59/21/369505921.db2.gz BMXJMUROMUIYQF-ZDUSSCGKSA-N 2 1 276.380 1.889 50 0 CDAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000037644344 369505926 /nfs/dbraw/zinc/50/59/26/369505926.db2.gz BMXJMUROMUIYQF-ZDUSSCGKSA-N 2 1 276.380 1.889 50 0 CDAAMP C[N@H+]1CCCN(Cc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000299802616 372773292 /nfs/dbraw/zinc/77/32/92/372773292.db2.gz SWFWRPDVNGWRDD-UHFFFAOYSA-N 2 1 275.396 1.306 50 0 CDAAMP c1cc2c(nc[nH+]c2N2CCC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000333546639 375822798 /nfs/dbraw/zinc/82/27/98/375822798.db2.gz OPUWGMHWVMNYEV-AWEZNQCLSA-N 2 1 257.341 1.538 50 0 CDAAMP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000241316734 376018416 /nfs/dbraw/zinc/01/84/16/376018416.db2.gz LULCOYMQYGPPGL-ZQDZILKHSA-N 2 1 279.428 1.317 50 0 CDAAMP CCCC[C@@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659791 376033828 /nfs/dbraw/zinc/03/38/28/376033828.db2.gz HIRWQPVJWSGVEY-QLFBSQMISA-N 2 1 281.444 1.837 50 0 CDAAMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000252586183 392530201 /nfs/dbraw/zinc/53/02/01/392530201.db2.gz OAGBLHRSQXVBCI-GVDBMIGSSA-N 2 1 276.424 1.910 50 0 CDAAMP C[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011840358 282058894 /nfs/dbraw/zinc/05/88/94/282058894.db2.gz OFQULTBYJYDJSZ-AWEZNQCLSA-N 2 1 281.444 1.851 50 0 CDAAMP C[NH+](C)CC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011840358 282058896 /nfs/dbraw/zinc/05/88/96/282058896.db2.gz OFQULTBYJYDJSZ-AWEZNQCLSA-N 2 1 281.444 1.851 50 0 CDAAMP O=C(NC[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000534662740 328350721 /nfs/dbraw/zinc/35/07/21/328350721.db2.gz OWIZEKYZJDMOMQ-CQSZACIVSA-N 2 1 293.455 1.757 50 0 CDAAMP CNC(=O)C[C@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455288 483031112 /nfs/dbraw/zinc/03/11/12/483031112.db2.gz OFACTCPBFUZCEE-CQSZACIVSA-N 2 1 293.455 1.851 50 0 CDAAMP OC1CC[NH+]([C@@H]2CC[N@@H+](C3CCCCC3)C[C@H]2O)CC1 ZINC000012303215 527516318 /nfs/dbraw/zinc/51/63/18/527516318.db2.gz CXRDPCJLUYMINX-HZPDHXFCSA-N 2 1 282.428 1.211 50 0 CDAAMP OC1CC[NH+]([C@@H]2CC[N@H+](C3CCCCC3)C[C@H]2O)CC1 ZINC000012303215 527516324 /nfs/dbraw/zinc/51/63/24/527516324.db2.gz CXRDPCJLUYMINX-HZPDHXFCSA-N 2 1 282.428 1.211 50 0 CDAAMP Cc1nc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)co1 ZINC000072168759 683208695 /nfs/dbraw/zinc/20/86/95/683208695.db2.gz SLANNVLZTMOBTQ-CQSZACIVSA-N 2 1 267.373 1.262 50 0 CDAAMP Cc1nc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)CC2)co1 ZINC000072168759 683208699 /nfs/dbraw/zinc/20/86/99/683208699.db2.gz SLANNVLZTMOBTQ-CQSZACIVSA-N 2 1 267.373 1.262 50 0 CDAAMP Cn1ccnc1C[N@@H+](C)[C@H]1C[C@H]2C[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001704350790 1177696702 /nfs/dbraw/zinc/69/67/02/1177696702.db2.gz OSKWEPCJQHEZHB-NMWPEEMBSA-N 2 1 276.428 1.971 50 0 CDAAMP OC[C@@H]1CCC[N@@H+](CCNc2cc[nH+]c3ccccc23)C1 ZINC000828711305 926168453 /nfs/dbraw/zinc/16/84/53/926168453.db2.gz ZGLXCXAGYBZTQN-CQSZACIVSA-N 2 1 285.391 1.773 50 0 CDAAMP O=C(c1ccccn1)[C@@H]1CCC[N@@H+](CCc2ncc[nH]2)C1 ZINC001529191999 969009619 /nfs/dbraw/zinc/00/96/19/969009619.db2.gz MTPZBCIMBNFWAJ-CYBMUJFWSA-N 2 1 284.363 1.942 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000685939659 539045770 /nfs/dbraw/zinc/04/57/70/539045770.db2.gz XJBXDRNIQXEHLD-CABCVRRESA-N 2 1 279.428 1.604 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000685939659 539045771 /nfs/dbraw/zinc/04/57/71/539045771.db2.gz XJBXDRNIQXEHLD-CABCVRRESA-N 2 1 279.428 1.604 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000585088418 362016586 /nfs/dbraw/zinc/01/65/86/362016586.db2.gz CPPHQXLEJGKPIF-VXGBXAGGSA-N 2 1 255.406 1.303 50 0 CDAAMP CCOc1cccc(OCCOCC[NH2+]CC[NH3+])c1 ZINC000020118324 356526055 /nfs/dbraw/zinc/52/60/55/356526055.db2.gz YDYHGERMNZUZIF-UHFFFAOYSA-N 2 1 268.357 1.029 50 0 CDAAMP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000054979087 357327691 /nfs/dbraw/zinc/32/76/91/357327691.db2.gz YKVZACPPYQZKKR-UHFFFAOYSA-N 2 1 252.358 1.745 50 0 CDAAMP CCO[C@H]1COC[C@@H]1[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000067847219 357631571 /nfs/dbraw/zinc/63/15/71/357631571.db2.gz JGEMQMXCONSMAW-GJZGRUSLSA-N 2 1 270.417 1.500 50 0 CDAAMP CC(C)C[NH+]1CCC([NH2+]CCSc2nc[nH]n2)CC1 ZINC000067867747 357634120 /nfs/dbraw/zinc/63/41/20/357634120.db2.gz UWTJCIFXWXJKCM-UHFFFAOYSA-N 2 1 283.445 1.607 50 0 CDAAMP Cc1ccsc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072421928 357833902 /nfs/dbraw/zinc/83/39/02/357833902.db2.gz UKHLSCMOJFKVIP-CQSZACIVSA-N 2 1 268.426 1.945 50 0 CDAAMP Cc1ccsc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072421928 357833906 /nfs/dbraw/zinc/83/39/06/357833906.db2.gz UKHLSCMOJFKVIP-CQSZACIVSA-N 2 1 268.426 1.945 50 0 CDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000299738715 375199602 /nfs/dbraw/zinc/19/96/02/375199602.db2.gz FMRYHZJVWARLMI-BFHYXJOUSA-N 2 1 267.417 1.447 50 0 CDAAMP CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015075562 390214203 /nfs/dbraw/zinc/21/42/03/390214203.db2.gz QZVWUVOWIRTPSF-AWEZNQCLSA-N 2 1 281.444 1.659 50 0 CDAAMP CC(C)N(C)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015075562 390214205 /nfs/dbraw/zinc/21/42/05/390214205.db2.gz QZVWUVOWIRTPSF-AWEZNQCLSA-N 2 1 281.444 1.659 50 0 CDAAMP C[N@H+]1CCN(C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000019518537 390227904 /nfs/dbraw/zinc/22/79/04/390227904.db2.gz XKXGVLNUARUGMT-MRXNPFEDSA-N 2 1 259.397 1.727 50 0 CDAAMP CC[NH+]1CCN(CC[N@H+]2CCc3sccc3C2)CC1 ZINC000020537575 171241158 /nfs/dbraw/zinc/24/11/58/171241158.db2.gz IVFSLXKLYCYKJJ-UHFFFAOYSA-N 2 1 279.453 1.744 50 0 CDAAMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261629225 303088544 /nfs/dbraw/zinc/08/85/44/303088544.db2.gz CLLJPKHCJXBMMA-UKRRQHHQSA-N 2 1 262.401 1.947 50 0 CDAAMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261629225 303088546 /nfs/dbraw/zinc/08/85/46/303088546.db2.gz CLLJPKHCJXBMMA-UKRRQHHQSA-N 2 1 262.401 1.947 50 0 CDAAMP OC[C@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000670465162 483055323 /nfs/dbraw/zinc/05/53/23/483055323.db2.gz GPSFSPMCMRTTJO-GFCCVEGCSA-N 2 1 289.383 1.558 50 0 CDAAMP OC[C@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000670465162 483055325 /nfs/dbraw/zinc/05/53/25/483055325.db2.gz GPSFSPMCMRTTJO-GFCCVEGCSA-N 2 1 289.383 1.558 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@H+](C2CCCCCC2)C[C@H]1O ZINC000823701089 925722547 /nfs/dbraw/zinc/72/25/47/925722547.db2.gz NDGWNBFZSFOHMX-DZGCQCFKSA-N 2 1 254.418 1.954 50 0 CDAAMP C[C@H]1CCCC[N@@H+]1C1CN(CCc2[nH+]ccn2C)C1 ZINC001506408341 975153167 /nfs/dbraw/zinc/15/31/67/975153167.db2.gz RQDRUWANHBIPRO-ZDUSSCGKSA-N 2 1 262.401 1.521 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C1CN(CCc2[nH+]ccn2C)C1 ZINC001506408341 975153170 /nfs/dbraw/zinc/15/31/70/975153170.db2.gz RQDRUWANHBIPRO-ZDUSSCGKSA-N 2 1 262.401 1.521 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCC(=O)N1CCCC1 ZINC001506412755 975154230 /nfs/dbraw/zinc/15/42/30/975154230.db2.gz OCWVQANVFLOWJN-CYBMUJFWSA-N 2 1 278.400 1.436 50 0 CDAAMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC(=O)N(CC2CC2)CC1 ZINC000584903726 341993993 /nfs/dbraw/zinc/99/39/93/341993993.db2.gz SUVSDVHAMXVRMQ-OAHLLOKOSA-N 2 1 290.411 1.572 50 0 CDAAMP Cn1c(C[NH+]2CCCCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244641197 361855637 /nfs/dbraw/zinc/85/56/37/361855637.db2.gz GLCJLMOYPQYWHZ-TXEJJXNPSA-N 2 1 263.389 1.396 50 0 CDAAMP C[C@H](c1cnccn1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000253370471 361925920 /nfs/dbraw/zinc/92/59/20/361925920.db2.gz RGQIXNORXCMUOF-HOSILWTGSA-N 2 1 272.396 1.954 50 0 CDAAMP Cc1[nH+]ccn1CC1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000032511755 356781788 /nfs/dbraw/zinc/78/17/88/356781788.db2.gz CORXMBGJKJBKLK-UHFFFAOYSA-N 2 1 286.379 1.995 50 0 CDAAMP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1cccc(O)c1 ZINC000215066155 358872021 /nfs/dbraw/zinc/87/20/21/358872021.db2.gz OVZWLSNTTDJVKM-UHFFFAOYSA-N 2 1 278.396 1.936 50 0 CDAAMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639463 364440088 /nfs/dbraw/zinc/44/00/88/364440088.db2.gz KQLCPLWCBAMGBO-IUODEOHRSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639463 364440102 /nfs/dbraw/zinc/44/01/02/364440102.db2.gz KQLCPLWCBAMGBO-IUODEOHRSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639463 364440104 /nfs/dbraw/zinc/44/01/04/364440104.db2.gz KQLCPLWCBAMGBO-IUODEOHRSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639463 364440109 /nfs/dbraw/zinc/44/01/09/364440109.db2.gz KQLCPLWCBAMGBO-IUODEOHRSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261940555 285391777 /nfs/dbraw/zinc/39/17/77/285391777.db2.gz NDOWNQCNCHVZFE-ILXRZTDVSA-N 2 1 293.455 1.565 50 0 CDAAMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388931226 397809302 /nfs/dbraw/zinc/80/93/02/397809302.db2.gz QNBXZNXFHBQBFT-BFHYXJOUSA-N 2 1 258.406 1.092 50 0 CDAAMP CCCOC[C@H]1CC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072146255 176325048 /nfs/dbraw/zinc/32/50/48/176325048.db2.gz GACIHZMKKKFYTL-AWEZNQCLSA-N 2 1 292.427 1.625 50 0 CDAAMP CCCOC[C@H]1CC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072146255 176325049 /nfs/dbraw/zinc/32/50/49/176325049.db2.gz GACIHZMKKKFYTL-AWEZNQCLSA-N 2 1 292.427 1.625 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C1CN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000952990109 723659579 /nfs/dbraw/zinc/65/95/79/723659579.db2.gz GBQQOBJCIXULPV-OAHLLOKOSA-N 2 1 293.455 1.948 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC001506421625 975158027 /nfs/dbraw/zinc/15/80/27/975158027.db2.gz RVBZYUGNCVODJT-GFCCVEGCSA-N 2 1 251.374 1.586 50 0 CDAAMP Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000091426865 180151998 /nfs/dbraw/zinc/15/19/98/180151998.db2.gz LBXIJMJXHPFOIR-IAGOWNOFSA-N 2 1 276.424 1.905 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCCCC[NH+]1CCOCC1 ZINC000091626073 180210416 /nfs/dbraw/zinc/21/04/16/180210416.db2.gz OPGBSKLKHCPVQN-UHFFFAOYSA-N 2 1 279.388 1.282 50 0 CDAAMP O=C([C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126680 296106713 /nfs/dbraw/zinc/10/67/13/296106713.db2.gz WAZAWKDZOGTZBO-ZDUSSCGKSA-N 2 1 265.401 1.073 50 0 CDAAMP Cc1n[nH]c(C)c1CCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000067756356 377235882 /nfs/dbraw/zinc/23/58/82/377235882.db2.gz OKIKBJTWSHRQDW-CYBMUJFWSA-N 2 1 250.390 1.689 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261709170 296313599 /nfs/dbraw/zinc/31/35/99/296313599.db2.gz MHHISMLNTUUUNR-OAGGEKHMSA-N 2 1 293.455 1.851 50 0 CDAAMP Cn1ccnc1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)C1CC1 ZINC000244734920 256867557 /nfs/dbraw/zinc/86/75/57/256867557.db2.gz NNZUKSMWAROWMD-BETUJISGSA-N 2 1 262.401 1.902 50 0 CDAAMP CC(C)N(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000015075560 390214369 /nfs/dbraw/zinc/21/43/69/390214369.db2.gz QZVWUVOWIRTPSF-CQSZACIVSA-N 2 1 281.444 1.659 50 0 CDAAMP CC(C)N(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000015075560 390214373 /nfs/dbraw/zinc/21/43/73/390214373.db2.gz QZVWUVOWIRTPSF-CQSZACIVSA-N 2 1 281.444 1.659 50 0 CDAAMP [NH3+]CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072409824 176398528 /nfs/dbraw/zinc/39/85/28/176398528.db2.gz AVEBHFIVNGVUPB-CYBMUJFWSA-N 2 1 281.787 1.379 50 0 CDAAMP [NH3+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072409824 176398530 /nfs/dbraw/zinc/39/85/30/176398530.db2.gz AVEBHFIVNGVUPB-CYBMUJFWSA-N 2 1 281.787 1.379 50 0 CDAAMP CNC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000670435446 482971897 /nfs/dbraw/zinc/97/18/97/482971897.db2.gz DMOUBNIPOVETCN-GFCCVEGCSA-N 2 1 281.444 1.754 50 0 CDAAMP [NH3+]C[C@@H]1CC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C[NH2+]1 ZINC000757211940 574906514 /nfs/dbraw/zinc/90/65/14/574906514.db2.gz JJIVXKCAOKVNDZ-ZRUFSTJUSA-N 2 1 265.323 1.244 50 0 CDAAMP C[C@H]1[C@H]2CCC[N@@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565183 724029972 /nfs/dbraw/zinc/02/99/72/724029972.db2.gz QATOXTAWNQLKAG-JKSUJKDBSA-N 2 1 295.471 1.513 50 0 CDAAMP C[C@H]1[C@H]2CCC[N@H+]2CCN1CC(C)(C)C[NH+]1CCOCC1 ZINC000032565183 724029976 /nfs/dbraw/zinc/02/99/76/724029976.db2.gz QATOXTAWNQLKAG-JKSUJKDBSA-N 2 1 295.471 1.513 50 0 CDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC000426393109 725410897 /nfs/dbraw/zinc/41/08/97/725410897.db2.gz ZDSOBDNMXOCBKB-AWEZNQCLSA-N 3 1 292.427 1.425 50 0 CDAAMP CC(C)[N@@H+]1CCC[C@@H](CN(C)c2nc(N)cc[nH+]2)C1 ZINC000096141249 185106271 /nfs/dbraw/zinc/10/62/71/185106271.db2.gz LUUFDGUMBHYSLK-LBPRGKRZSA-N 2 1 263.389 1.615 50 0 CDAAMP CC(C)[N@H+]1CCC[C@@H](CN(C)c2nc(N)cc[nH+]2)C1 ZINC000096141249 185106273 /nfs/dbraw/zinc/10/62/73/185106273.db2.gz LUUFDGUMBHYSLK-LBPRGKRZSA-N 2 1 263.389 1.615 50 0 CDAAMP CCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554583 342626133 /nfs/dbraw/zinc/62/61/33/342626133.db2.gz KGWHZXJYGUFUSF-GXTWGEPZSA-N 2 1 267.417 1.589 50 0 CDAAMP C[NH+]1CCC2(C[NH2+]C[C@H]2c2nc(C3CC3)n[nH]2)CC1 ZINC000085347596 179028737 /nfs/dbraw/zinc/02/87/37/179028737.db2.gz KQRYKVOCISOWJN-NSHDSACASA-N 2 1 261.373 1.081 50 0 CDAAMP CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530867 363456930 /nfs/dbraw/zinc/45/69/30/363456930.db2.gz VOJUROBBYILNPW-ULQDDVLXSA-N 2 1 298.471 1.705 50 0 CDAAMP CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530867 363456935 /nfs/dbraw/zinc/45/69/35/363456935.db2.gz VOJUROBBYILNPW-ULQDDVLXSA-N 2 1 298.471 1.705 50 0 CDAAMP O[C@@]1(C[NH2+]CC2CCOCC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063847813 357517625 /nfs/dbraw/zinc/51/76/25/357517625.db2.gz BPNGCXPZKJOLAT-HZPDHXFCSA-N 2 1 282.428 1.382 50 0 CDAAMP C[C@H](NCc1nncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110953 357986749 /nfs/dbraw/zinc/98/67/49/357986749.db2.gz VUZZMUCDIAPGBP-STQMWFEESA-N 2 1 277.416 1.558 50 0 CDAAMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000037825972 359234606 /nfs/dbraw/zinc/23/46/06/359234606.db2.gz GZCHVOOUEOHLEA-LBPRGKRZSA-N 2 1 255.406 1.304 50 0 CDAAMP CO[C@]12CC[N@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@H](O)CC2 ZINC000299788250 372762863 /nfs/dbraw/zinc/76/28/63/372762863.db2.gz XWSZKWWUUXPANI-OWCLPIDISA-N 2 1 293.411 1.586 50 0 CDAAMP CO[C@]12CC[N@@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@H](O)CC2 ZINC000299788250 372762872 /nfs/dbraw/zinc/76/28/72/372762872.db2.gz XWSZKWWUUXPANI-OWCLPIDISA-N 2 1 293.411 1.586 50 0 CDAAMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc2c1OCO2 ZINC000108428674 412828885 /nfs/dbraw/zinc/82/88/85/412828885.db2.gz XRNRBXVSVMCXSL-GFCCVEGCSA-N 2 1 292.379 1.855 50 0 CDAAMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc2c1OCO2 ZINC000108428674 412828888 /nfs/dbraw/zinc/82/88/88/412828888.db2.gz XRNRBXVSVMCXSL-GFCCVEGCSA-N 2 1 292.379 1.855 50 0 CDAAMP O=C([C@@H]1C=CC[NH2+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000534641510 328336204 /nfs/dbraw/zinc/33/62/04/328336204.db2.gz GLAJLHBTXSWEOO-AWEZNQCLSA-N 2 1 291.420 1.310 50 0 CDAAMP O=C([C@@H]1C=CC[NH2+]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000534641510 328336205 /nfs/dbraw/zinc/33/62/05/328336205.db2.gz GLAJLHBTXSWEOO-AWEZNQCLSA-N 2 1 291.420 1.310 50 0 CDAAMP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000050248795 328392711 /nfs/dbraw/zinc/39/27/11/328392711.db2.gz PRWSTNFPEQODDP-CYBMUJFWSA-N 2 1 295.814 1.279 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000050248795 328392713 /nfs/dbraw/zinc/39/27/13/328392713.db2.gz PRWSTNFPEQODDP-CYBMUJFWSA-N 2 1 295.814 1.279 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC001772706945 1159441142 /nfs/dbraw/zinc/44/11/42/1159441142.db2.gz VLRRZJFNQUNBEF-SJORKVTESA-N 2 1 290.407 1.107 50 0 CDAAMP CC(C)SCC[N@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529102166 968981659 /nfs/dbraw/zinc/98/16/59/968981659.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[N@@H+](C)C[C@H]1CCC[NH+](CCO)C1 ZINC001529102166 968981667 /nfs/dbraw/zinc/98/16/67/968981667.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[NH+](C)C[C@H]1CCC[N@H+](CCO)C1 ZINC001529102166 968981681 /nfs/dbraw/zinc/98/16/81/968981681.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 2 1 274.474 1.764 50 0 CDAAMP CC(C)SCC[NH+](C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC001529102166 968981688 /nfs/dbraw/zinc/98/16/88/968981688.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 2 1 274.474 1.764 50 0 CDAAMP C[NH+](C)C1(CNC(=O)[C@@]2(C)CC[N@@H+](C)C2)CCCCC1 ZINC000823754932 925724242 /nfs/dbraw/zinc/72/42/42/925724242.db2.gz FNOHJTLPSUEXGZ-HNNXBMFYSA-N 2 1 281.444 1.709 50 0 CDAAMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000585117014 930971994 /nfs/dbraw/zinc/97/19/94/930971994.db2.gz OXKWCWHYPNZXAG-ZFWWWQNUSA-N 2 1 264.417 1.972 50 0 CDAAMP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000585117014 930971998 /nfs/dbraw/zinc/97/19/98/930971998.db2.gz OXKWCWHYPNZXAG-ZFWWWQNUSA-N 2 1 264.417 1.972 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000020255294 935729775 /nfs/dbraw/zinc/72/97/75/935729775.db2.gz KITJBJWMFSVESH-AWEZNQCLSA-N 2 1 290.411 1.793 50 0 CDAAMP Cn1ccnc1CC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001506424941 975159061 /nfs/dbraw/zinc/15/90/61/975159061.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 2 1 276.428 1.770 50 0 CDAAMP Cn1ccnc1CC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001506424941 975159064 /nfs/dbraw/zinc/15/90/64/975159064.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 2 1 276.428 1.770 50 0 CDAAMP Cn1ccnc1CC[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001506424941 975159067 /nfs/dbraw/zinc/15/90/67/975159067.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 2 1 276.428 1.770 50 0 CDAAMP CNC(=O)CC[C@H]1CCCC[N@H+]1CC1CC[NH+](C)CC1 ZINC000585139270 342216595 /nfs/dbraw/zinc/21/65/95/342216595.db2.gz RKJXABGCXRFPER-OAHLLOKOSA-N 2 1 281.444 1.709 50 0 CDAAMP Cc1ccc(Cl)c(OCCOCC[NH2+]CC[NH3+])c1 ZINC000019772371 356500925 /nfs/dbraw/zinc/50/09/25/356500925.db2.gz UFCOQHUJXFIYFT-UHFFFAOYSA-N 2 1 272.776 1.592 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000097139537 357991732 /nfs/dbraw/zinc/99/17/32/357991732.db2.gz FNMMGAFWXNPXCO-VXGBXAGGSA-N 2 1 256.390 1.506 50 0 CDAAMP OCCCCC[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000032500552 375960003 /nfs/dbraw/zinc/96/00/03/375960003.db2.gz VEYJEMVRMAYVRG-UHFFFAOYSA-N 2 1 272.458 1.662 50 0 CDAAMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333297 376017703 /nfs/dbraw/zinc/01/77/03/376017703.db2.gz FCULVMSQGYSJCJ-SOUVJXGZSA-N 2 1 295.427 1.728 50 0 CDAAMP CCc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000244787737 376023708 /nfs/dbraw/zinc/02/37/08/376023708.db2.gz QCSJFNOYXQECHL-AWEZNQCLSA-N 2 1 289.427 1.780 50 0 CDAAMP CCc1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000244787737 376023715 /nfs/dbraw/zinc/02/37/15/376023715.db2.gz QCSJFNOYXQECHL-AWEZNQCLSA-N 2 1 289.427 1.780 50 0 CDAAMP C[NH+]1CCN(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019170242 170754525 /nfs/dbraw/zinc/75/45/25/170754525.db2.gz AWBNJQGQVIHPIC-UHFFFAOYSA-N 2 1 288.439 1.403 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000240540880 297099305 /nfs/dbraw/zinc/09/93/05/297099305.db2.gz GPXXOKMAIMUDTG-VHDGCEQUSA-N 2 1 277.412 1.023 50 0 CDAAMP C[NH2+]Cc1nnc(NCC2CC[NH+](C3CCCC3)CC2)o1 ZINC001772709969 1159444010 /nfs/dbraw/zinc/44/40/10/1159444010.db2.gz NHLRUYJZTIXGLD-UHFFFAOYSA-N 2 1 293.415 1.856 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000670443008 482989293 /nfs/dbraw/zinc/98/92/93/482989293.db2.gz JGGAAAIOURIQGK-HNNXBMFYSA-N 2 1 278.400 1.294 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000670443008 482989297 /nfs/dbraw/zinc/98/92/97/482989297.db2.gz JGGAAAIOURIQGK-HNNXBMFYSA-N 2 1 278.400 1.294 50 0 CDAAMP C[C@@H]1[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CC[C@H]1[NH3+] ZINC000757211906 574906697 /nfs/dbraw/zinc/90/66/97/574906697.db2.gz KQKXTGCKNQULAL-UNQZSWDGSA-N 2 1 265.323 1.385 50 0 CDAAMP CN(CCC[NH+](C)C)C(=O)[C@H]1CCCCC[N@H+]1C ZINC000823693045 925723848 /nfs/dbraw/zinc/72/38/48/925723848.db2.gz IIWGXPAXWXLVGG-CYBMUJFWSA-N 2 1 255.406 1.271 50 0 CDAAMP COCCOCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000824447764 925822697 /nfs/dbraw/zinc/82/26/97/925822697.db2.gz WNHOLVLPTRVANW-ZDUSSCGKSA-N 2 1 258.406 1.312 50 0 CDAAMP COCCOCC[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000824447764 925822701 /nfs/dbraw/zinc/82/27/01/925822701.db2.gz WNHOLVLPTRVANW-ZDUSSCGKSA-N 2 1 258.406 1.312 50 0 CDAAMP C[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCC1)CC2 ZINC000065373798 357533392 /nfs/dbraw/zinc/53/33/92/357533392.db2.gz SRGBOTIWQHSJIW-UHFFFAOYSA-N 2 1 279.428 1.417 50 0 CDAAMP OCC1(O)CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072121037 357826088 /nfs/dbraw/zinc/82/60/88/357826088.db2.gz DRMDHOVKVJYFES-LSDHHAIUSA-N 2 1 282.428 1.070 50 0 CDAAMP Cn1cc[nH+]c1CCC[N@H+](C)Cc1cccnc1N ZINC000215429990 358889186 /nfs/dbraw/zinc/88/91/86/358889186.db2.gz GTOHCXSEYSWRPZ-UHFFFAOYSA-N 2 1 259.357 1.462 50 0 CDAAMP Cn1cc[nH+]c1CCC[N@@H+](C)Cc1cccnc1N ZINC000215429990 358889192 /nfs/dbraw/zinc/88/91/92/358889192.db2.gz GTOHCXSEYSWRPZ-UHFFFAOYSA-N 2 1 259.357 1.462 50 0 CDAAMP CCOC(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000000248228 359399326 /nfs/dbraw/zinc/39/93/26/359399326.db2.gz DHNVWVJYVSKEOI-GFCCVEGCSA-N 2 1 254.374 1.356 50 0 CDAAMP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCCO)c12 ZINC000005348259 170088560 /nfs/dbraw/zinc/08/85/60/170088560.db2.gz HVIWOXMEZXQHDV-UHFFFAOYSA-N 2 1 291.399 1.404 50 0 CDAAMP CCSCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063846831 280038047 /nfs/dbraw/zinc/03/80/47/280038047.db2.gz CBMKAGVJVZAIJY-ZIAGYGMSSA-N 2 1 272.458 1.709 50 0 CDAAMP CCNC(=O)N1CCC([NH2+][C@@H](C)C[NH+](CC)CC)CC1 ZINC000095986445 185056197 /nfs/dbraw/zinc/05/61/97/185056197.db2.gz GPQGYKCBTFHDHK-ZDUSSCGKSA-N 2 1 284.448 1.500 50 0 CDAAMP Nc1cc[nH+]c(NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000584890330 349349638 /nfs/dbraw/zinc/34/96/38/349349638.db2.gz UKRJFCKORTYWKM-UHFFFAOYSA-N 2 1 261.373 1.708 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000014951814 356402185 /nfs/dbraw/zinc/40/21/85/356402185.db2.gz SZCUNGREJZRXQL-CQSZACIVSA-N 2 1 279.428 1.415 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000014951814 356402186 /nfs/dbraw/zinc/40/21/86/356402186.db2.gz SZCUNGREJZRXQL-CQSZACIVSA-N 2 1 279.428 1.415 50 0 CDAAMP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019489192 356487986 /nfs/dbraw/zinc/48/79/86/356487986.db2.gz FTNMATHIBXHACZ-OAHLLOKOSA-N 2 1 275.396 1.314 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1cccc(Cl)c1Cl ZINC000019772316 356500670 /nfs/dbraw/zinc/50/06/70/356500670.db2.gz XRAXGLLSVNQGHR-UHFFFAOYSA-N 2 1 293.194 1.937 50 0 CDAAMP CC[N@H+]1CCC[C@H]1CNc1cc(CC[NH3+])nc(C)n1 ZINC000067966790 357641211 /nfs/dbraw/zinc/64/12/11/357641211.db2.gz DKVIHULQEBBUFP-ZDUSSCGKSA-N 2 1 263.389 1.182 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(=O)OC)[C@H](C)C1 ZINC000097139533 357991745 /nfs/dbraw/zinc/99/17/45/357991745.db2.gz FNMMGAFWXNPXCO-NEPJUHHUSA-N 2 1 256.390 1.506 50 0 CDAAMP Cc1[nH+]ccn1CC1(CNC(=O)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000097602242 358787321 /nfs/dbraw/zinc/78/73/21/358787321.db2.gz XFWONAZNZHZHTJ-AWEZNQCLSA-N 2 1 290.411 1.572 50 0 CDAAMP Cc1[nH+]ccn1CC1(CNC(=O)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000097602242 358787323 /nfs/dbraw/zinc/78/73/23/358787323.db2.gz XFWONAZNZHZHTJ-AWEZNQCLSA-N 2 1 290.411 1.572 50 0 CDAAMP COc1cc2c(cc1OC)C[N@@H+](CCCC[NH3+])CC2 ZINC000011953292 359968059 /nfs/dbraw/zinc/96/80/59/359968059.db2.gz HGKUCNGRZSPDQU-UHFFFAOYSA-N 2 1 264.369 1.801 50 0 CDAAMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C)C[C@](C)(C1)C2 ZINC000952984451 616392927 /nfs/dbraw/zinc/39/29/27/616392927.db2.gz LCHXAJWORFJRRT-CWRNSKLLSA-N 2 1 279.428 1.271 50 0 CDAAMP C[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@](C)(C1)C2 ZINC000952984451 616392929 /nfs/dbraw/zinc/39/29/29/616392929.db2.gz LCHXAJWORFJRRT-CWRNSKLLSA-N 2 1 279.428 1.271 50 0 CDAAMP C[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@](C)(C1)C2 ZINC000952984451 616392935 /nfs/dbraw/zinc/39/29/35/616392935.db2.gz LCHXAJWORFJRRT-CWRNSKLLSA-N 2 1 279.428 1.271 50 0 CDAAMP CC(=O)NC(C)(C)C[C@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC001506400955 975150377 /nfs/dbraw/zinc/15/03/77/975150377.db2.gz AZQGSFUNUFFBQJ-JTQLQIEISA-N 2 1 252.362 1.235 50 0 CDAAMP CCCCc1ncc(CN2CCOC[C@@H](C[NH+](C)C)C2)[nH]1 ZINC000584900521 341999623 /nfs/dbraw/zinc/99/96/23/341999623.db2.gz OAKCLQXLXQVIQK-AWEZNQCLSA-N 2 1 294.443 1.762 50 0 CDAAMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340204 345170361 /nfs/dbraw/zinc/17/03/61/345170361.db2.gz VXORDJDKQJWKTQ-GFCCVEGCSA-N 2 1 264.373 1.181 50 0 CDAAMP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617340204 345170363 /nfs/dbraw/zinc/17/03/63/345170363.db2.gz VXORDJDKQJWKTQ-GFCCVEGCSA-N 2 1 264.373 1.181 50 0 CDAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3cccc4nonc43)C[C@H]21 ZINC000584886917 349345895 /nfs/dbraw/zinc/34/58/95/349345895.db2.gz VDFKZOSMVCHATE-XYYAHUGASA-N 2 1 272.352 1.462 50 0 CDAAMP Cc1ccc(CN2CC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2=O)cc1 ZINC000102856131 358894288 /nfs/dbraw/zinc/89/42/88/358894288.db2.gz NCIKTKQRSQFHNS-FVQHAEBGSA-N 2 1 299.418 1.105 50 0 CDAAMP Cc1ccc(CN2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2=O)cc1 ZINC000102856131 358894290 /nfs/dbraw/zinc/89/42/90/358894290.db2.gz NCIKTKQRSQFHNS-FVQHAEBGSA-N 2 1 299.418 1.105 50 0 CDAAMP C[NH+](C)Cc1csc(C[N@@H+](C)C[C@H]2COCCO2)c1 ZINC000216513521 358948208 /nfs/dbraw/zinc/94/82/08/358948208.db2.gz NIORBSCNFUKQSK-ZDUSSCGKSA-N 2 1 284.425 1.657 50 0 CDAAMP C[NH+](C)[C@H](C(=O)NC1CC[NH2+]CC1)c1cccc(F)c1 ZINC000218872758 359069137 /nfs/dbraw/zinc/06/91/37/359069137.db2.gz GMKHTFWNKSHAFA-AWEZNQCLSA-N 2 1 279.359 1.297 50 0 CDAAMP COCC[N@@H+]1[C@H](C)CN(c2cccc(C)n2)C[C@@H]1C ZINC000097163388 390803223 /nfs/dbraw/zinc/80/32/23/390803223.db2.gz IFRIXEXQPVQJTF-OKILXGFUSA-N 2 1 263.385 1.935 50 0 CDAAMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1COC1 ZINC000408519741 390849491 /nfs/dbraw/zinc/84/94/91/390849491.db2.gz XMLFUFHZXUREBE-UHFFFAOYSA-N 2 1 283.460 1.512 50 0 CDAAMP CN1CC[N@@H+](C)C[C@H]1CC[NH+](C)Cc1ccccc1 ZINC000039538075 174169467 /nfs/dbraw/zinc/16/94/67/174169467.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 2 1 261.413 1.754 50 0 CDAAMP CN1CC[NH+](C)C[C@H]1CC[N@H+](C)Cc1ccccc1 ZINC000039538075 174169470 /nfs/dbraw/zinc/16/94/70/174169470.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 2 1 261.413 1.754 50 0 CDAAMP CN1CC[NH+](C)C[C@H]1CC[N@@H+](C)Cc1ccccc1 ZINC000039538075 174169472 /nfs/dbraw/zinc/16/94/72/174169472.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 2 1 261.413 1.754 50 0 CDAAMP CC[C@@H](CNC(=O)N(C)Cc1nc(C)c[nH]1)[N@@H+](C)CC ZINC000534653355 328338546 /nfs/dbraw/zinc/33/85/46/328338546.db2.gz ODFMKYUPXFPHSX-LBPRGKRZSA-N 2 1 281.404 1.590 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000670463537 483052960 /nfs/dbraw/zinc/05/29/60/483052960.db2.gz ITJQAWSRIIMWML-OAHLLOKOSA-N 2 1 290.411 1.526 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000670463537 483052963 /nfs/dbraw/zinc/05/29/63/483052963.db2.gz ITJQAWSRIIMWML-OAHLLOKOSA-N 2 1 290.411 1.526 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000067725966 737695539 /nfs/dbraw/zinc/69/55/39/737695539.db2.gz QQDLRMGIVLAACV-CQSZACIVSA-N 2 1 270.380 1.712 50 0 CDAAMP CC[NH+]1CCC(CNc2ccncn2)([NH+](C)C)CC1 ZINC000091848708 180271058 /nfs/dbraw/zinc/27/10/58/180271058.db2.gz VXEUMVIKAQKFRX-UHFFFAOYSA-N 2 1 263.389 1.305 50 0 CDAAMP CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261635747 359546749 /nfs/dbraw/zinc/54/67/49/359546749.db2.gz DEFYUULXLSEVAW-OLZOCXBDSA-N 2 1 269.433 1.693 50 0 CDAAMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)C2)c(-c2ccncc2)n1 ZINC000089749872 366927663 /nfs/dbraw/zinc/92/76/63/366927663.db2.gz GTFJQSOXYDLZJR-ZDUSSCGKSA-N 2 1 285.395 1.523 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757368 372745863 /nfs/dbraw/zinc/74/58/63/372745863.db2.gz IGBIADUEVDGXDI-OIPACUDHSA-N 2 1 299.418 1.709 50 0 CDAAMP CCN1CCC[C@@](O)(C[N@H+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681291 /nfs/dbraw/zinc/68/12/91/373681291.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[N@@H+]1CCC[C@@](O)(C[NH+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681300 /nfs/dbraw/zinc/68/13/00/373681300.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[N@H+]1CCC[C@@](O)(C[NH+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681313 /nfs/dbraw/zinc/68/13/13/373681313.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[NH+]1CCC[C@@](O)(C[N@@H+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681321 /nfs/dbraw/zinc/68/13/21/373681321.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 1 270.417 1.070 50 0 CDAAMP CC[NH+]1CCC[C@@](O)(C[N@H+]2CCCC[C@H]2CCO)C1 ZINC000253388866 373681332 /nfs/dbraw/zinc/68/13/32/373681332.db2.gz MTPYSZIMCYAYGJ-GJZGRUSLSA-N 2 1 270.417 1.070 50 0 CDAAMP CCc1cc(N(C)C[C@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000065407892 390551439 /nfs/dbraw/zinc/55/14/39/390551439.db2.gz GWIRDNCBSIEZAJ-LBPRGKRZSA-N 2 1 277.416 1.493 50 0 CDAAMP O=C(C1CCC1)N1CCC[N@@H+](C2CC[NH2+]CC2)CC1 ZINC000067847223 390575619 /nfs/dbraw/zinc/57/56/19/390575619.db2.gz GMVMAYNBGAVLSZ-UHFFFAOYSA-N 2 1 265.401 1.073 50 0 CDAAMP O=C(C1CCC1)N1CCC[N@H+](C2CC[NH2+]CC2)CC1 ZINC000067847223 390575625 /nfs/dbraw/zinc/57/56/25/390575625.db2.gz GMVMAYNBGAVLSZ-UHFFFAOYSA-N 2 1 265.401 1.073 50 0 CDAAMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000269264350 132146134 /nfs/dbraw/zinc/14/61/34/132146134.db2.gz OHCFKCGIPUGXCX-HOCLYGCPSA-N 2 1 287.407 1.329 50 0 CDAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000269264350 132146135 /nfs/dbraw/zinc/14/61/35/132146135.db2.gz OHCFKCGIPUGXCX-HOCLYGCPSA-N 2 1 287.407 1.329 50 0 CDAAMP CCCc1cc(NC[C@@H]2C[NH2+]CCOC2)nc(C)[nH+]1 ZINC000072130636 176321309 /nfs/dbraw/zinc/32/13/09/176321309.db2.gz FCOIJBIDKMPSPY-LBPRGKRZSA-N 2 1 264.373 1.385 50 0 CDAAMP Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](C[NH3+])C2)[nH+]1 ZINC000534577304 328310392 /nfs/dbraw/zinc/31/03/92/328310392.db2.gz NSFWXMKQNNWKEL-JTQLQIEISA-N 2 1 275.274 1.573 50 0 CDAAMP C[C@@H]1CC[C@H]([NH3+])[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]1 ZINC000757216095 577036318 /nfs/dbraw/zinc/03/63/18/577036318.db2.gz XPGJYWYAEPVISB-NZFPMDFQSA-N 2 1 265.323 1.385 50 0 CDAAMP c1c(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)nn2c1C[NH2+]CC2 ZINC000072156785 740248813 /nfs/dbraw/zinc/24/88/13/740248813.db2.gz SVGRTZKXZKIOTM-BETUJISGSA-N 2 1 258.369 1.384 50 0 CDAAMP c1c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nn2c1C[NH2+]CC2 ZINC000072156785 740248826 /nfs/dbraw/zinc/24/88/26/740248826.db2.gz SVGRTZKXZKIOTM-BETUJISGSA-N 2 1 258.369 1.384 50 0 CDAAMP CO[C@]12CC[N@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@@H](O)CC2 ZINC000299782949 742330897 /nfs/dbraw/zinc/33/08/97/742330897.db2.gz XWSZKWWUUXPANI-HRCADAONSA-N 2 1 293.411 1.586 50 0 CDAAMP CO[C@]12CC[N@@H+](CCCn3cc[nH+]c3C)[C@H]1C[C@@H](O)CC2 ZINC000299782949 742330904 /nfs/dbraw/zinc/33/09/04/742330904.db2.gz XWSZKWWUUXPANI-HRCADAONSA-N 2 1 293.411 1.586 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCNc1cc[nH+]cc1C ZINC000821495625 925587153 /nfs/dbraw/zinc/58/71/53/925587153.db2.gz SXZIDXQEAFDENB-CYBMUJFWSA-N 3 1 273.384 1.407 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000252487309 342382111 /nfs/dbraw/zinc/38/21/11/342382111.db2.gz VIWHFHNPZPIKEC-NIFZNCRKSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000252487309 342382112 /nfs/dbraw/zinc/38/21/12/342382112.db2.gz VIWHFHNPZPIKEC-NIFZNCRKSA-N 2 1 297.443 1.083 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1cnn(C)c1 ZINC000584892856 349352614 /nfs/dbraw/zinc/35/26/14/349352614.db2.gz ATELRMKCNHHZDE-GFCCVEGCSA-N 2 1 261.373 1.400 50 0 CDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cc[nH+]cc2C)C[C@@H]1CO ZINC000091526413 180178696 /nfs/dbraw/zinc/17/86/96/180178696.db2.gz HGOMLPNQAZBYJL-HUUCEWRRSA-N 2 1 293.411 1.013 50 0 CDAAMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000106158160 186104208 /nfs/dbraw/zinc/10/42/08/186104208.db2.gz SDYDSPXRLDXMIA-GJZGRUSLSA-N 2 1 275.396 1.500 50 0 CDAAMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000106158160 186104210 /nfs/dbraw/zinc/10/42/10/186104210.db2.gz SDYDSPXRLDXMIA-GJZGRUSLSA-N 2 1 275.396 1.500 50 0 CDAAMP C[NH2+]CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262668092 358782145 /nfs/dbraw/zinc/78/21/45/358782145.db2.gz LMKAKMZDKLXGGS-UHFFFAOYSA-N 2 1 297.443 1.136 50 0 CDAAMP c1cncc(CN2CCC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102521649 358880953 /nfs/dbraw/zinc/88/09/53/358880953.db2.gz OIPCSVVSOJHXHS-FVQHAEBGSA-N 2 1 286.423 1.055 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000245418552 285238388 /nfs/dbraw/zinc/23/83/88/285238388.db2.gz GPAZVHSRZKTBAT-MELADBBJSA-N 2 1 267.417 1.447 50 0 CDAAMP O=C(c1ccccc1)C1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1 ZINC000077406564 177263774 /nfs/dbraw/zinc/26/37/74/177263774.db2.gz COKAOFDPPCIBPK-KRWDZBQOSA-N 2 1 288.391 1.306 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000094459749 288303578 /nfs/dbraw/zinc/30/35/78/288303578.db2.gz ZRAXDDXGRDMKBG-YIYPIFLZSA-N 2 1 265.401 1.199 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000240540881 288304376 /nfs/dbraw/zinc/30/43/76/288304376.db2.gz GPXXOKMAIMUDTG-YUELXQCFSA-N 2 1 277.412 1.023 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCN1CCC(CO)CC1 ZINC000534637018 328333974 /nfs/dbraw/zinc/33/39/74/328333974.db2.gz VEETUCGVBNQIJM-AWEZNQCLSA-N 2 1 294.443 1.128 50 0 CDAAMP CCN(C[C@@H]1CC[N@@H+](CC)C1)C(=O)C1([NH3+])CCCC1 ZINC000952991354 615203685 /nfs/dbraw/zinc/20/36/85/615203685.db2.gz XUSLOBKFLXECHW-CYBMUJFWSA-N 2 1 267.417 1.448 50 0 CDAAMP CCc1nccn1C[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411541 743364532 /nfs/dbraw/zinc/36/45/32/743364532.db2.gz SGSNBQCRDIZVAH-CQSZACIVSA-N 2 1 276.428 1.910 50 0 CDAAMP C[C@](O)(C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000383298905 745044839 /nfs/dbraw/zinc/04/48/39/745044839.db2.gz MUVZXKOEFIGQEJ-ULQDDVLXSA-N 2 1 274.408 1.955 50 0 CDAAMP CC(C)[N@H+]1CCC[C@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823688779 925721157 /nfs/dbraw/zinc/72/11/57/925721157.db2.gz RHKQVJTZWXSQMS-CQSZACIVSA-N 2 1 265.405 1.330 50 0 CDAAMP CC(C)[NH+]1CCC[C@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000823688779 925721161 /nfs/dbraw/zinc/72/11/61/925721161.db2.gz RHKQVJTZWXSQMS-CQSZACIVSA-N 2 1 265.405 1.330 50 0 CDAAMP CC(C)[NH+]1CCC[C@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000823688779 925721166 /nfs/dbraw/zinc/72/11/66/925721166.db2.gz RHKQVJTZWXSQMS-CQSZACIVSA-N 2 1 265.405 1.330 50 0 CDAAMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000585089115 930912579 /nfs/dbraw/zinc/91/25/79/930912579.db2.gz HDBRVQVYZMGVHZ-UONOGXRCSA-N 2 1 267.417 1.223 50 0 CDAAMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CC[N@H+]1C ZINC000262661895 362015737 /nfs/dbraw/zinc/01/57/37/362015737.db2.gz GLOAGJCUJXZTHD-FRRDWIJNSA-N 2 1 253.390 1.070 50 0 CDAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]CCN1CCCCC1=O ZINC000584891773 349351024 /nfs/dbraw/zinc/35/10/24/349351024.db2.gz LZRYRHKOJPIIGX-CYBMUJFWSA-N 2 1 278.400 1.572 50 0 CDAAMP Cc1nnc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000106781329 186135250 /nfs/dbraw/zinc/13/52/50/186135250.db2.gz IEJXQQYEQRQNOH-NWDGAFQWSA-N 2 1 296.415 1.464 50 0 CDAAMP Cc1nnc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000106781329 186135252 /nfs/dbraw/zinc/13/52/52/186135252.db2.gz IEJXQQYEQRQNOH-NWDGAFQWSA-N 2 1 296.415 1.464 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCSc1ccc(Cl)cc1 ZINC000020118698 356525758 /nfs/dbraw/zinc/52/57/58/356525758.db2.gz NDNLLGCIUMMUSN-UHFFFAOYSA-N 2 1 274.817 1.997 50 0 CDAAMP C[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000032779864 356668285 /nfs/dbraw/zinc/66/82/85/356668285.db2.gz ZGWRJDHQWROGRR-UHFFFAOYSA-N 2 1 284.363 1.650 50 0 CDAAMP CN1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1 ZINC000032779864 356668289 /nfs/dbraw/zinc/66/82/89/356668289.db2.gz ZGWRJDHQWROGRR-UHFFFAOYSA-N 2 1 284.363 1.650 50 0 CDAAMP CC(C)[NH2+]C[C@H](O)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2O1 ZINC000004610568 357240902 /nfs/dbraw/zinc/24/09/02/357240902.db2.gz AANQMDAPDINSQM-XEZPLFJOSA-N 2 1 294.395 1.163 50 0 CDAAMP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261921808 359090574 /nfs/dbraw/zinc/09/05/74/359090574.db2.gz KOKWEGQYZYNNRI-AWEZNQCLSA-N 2 1 292.427 1.335 50 0 CDAAMP COCCN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cn1 ZINC000261921808 359090578 /nfs/dbraw/zinc/09/05/78/359090578.db2.gz KOKWEGQYZYNNRI-AWEZNQCLSA-N 2 1 292.427 1.335 50 0 CDAAMP Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)ncn1 ZINC000426372115 360660224 /nfs/dbraw/zinc/66/02/24/360660224.db2.gz POVFHYTVHIMIFO-MRXNPFEDSA-N 2 1 287.411 1.761 50 0 CDAAMP Nc1cc(N2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)nc[nH+]1 ZINC000426372115 360660226 /nfs/dbraw/zinc/66/02/26/360660226.db2.gz POVFHYTVHIMIFO-MRXNPFEDSA-N 2 1 287.411 1.761 50 0 CDAAMP Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)nc[nH+]1 ZINC000426372115 360660229 /nfs/dbraw/zinc/66/02/29/360660229.db2.gz POVFHYTVHIMIFO-MRXNPFEDSA-N 2 1 287.411 1.761 50 0 CDAAMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000094459944 373299916 /nfs/dbraw/zinc/29/99/16/373299916.db2.gz POSFYXUKUUMCSE-BPLDGKMQSA-N 2 1 273.380 1.382 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC000094459944 373299925 /nfs/dbraw/zinc/29/99/25/373299925.db2.gz POSFYXUKUUMCSE-BPLDGKMQSA-N 2 1 273.380 1.382 50 0 CDAAMP CCc1c[nH+]c(N)nc1N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000095358552 374890254 /nfs/dbraw/zinc/89/02/54/374890254.db2.gz LDSGHGZPRIKQKP-STQMWFEESA-N 2 1 269.352 1.658 50 0 CDAAMP C[NH2+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299739501 375199963 /nfs/dbraw/zinc/19/99/63/375199963.db2.gz PKDZGVWNVDQEIN-KGLIPLIRSA-N 2 1 267.417 1.319 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(C(F)(F)F)c1 ZINC000000098181 390134180 /nfs/dbraw/zinc/13/41/80/390134180.db2.gz MMFKOLPHNNHIDJ-UHFFFAOYSA-N 2 1 285.273 1.891 50 0 CDAAMP CCOc1ccc(OCCCC[NH2+]CC[NH3+])cc1 ZINC000039960871 174179859 /nfs/dbraw/zinc/17/98/59/174179859.db2.gz VFDRFEPWJXBCNM-UHFFFAOYSA-N 2 1 252.358 1.793 50 0 CDAAMP Cc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@@H]3[NH3+])s1 ZINC000534658841 328341240 /nfs/dbraw/zinc/34/12/40/328341240.db2.gz TZELBAJXWHIGMJ-PTEHBNRSSA-N 2 1 251.399 1.929 50 0 CDAAMP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000670434352 482969298 /nfs/dbraw/zinc/96/92/98/482969298.db2.gz ZSYGBZNOLRRJJX-HOTGVXAUSA-N 2 1 295.471 1.513 50 0 CDAAMP C[N@H+]1C[C@@H]2CCC[C@H]1CN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC000670434352 482969301 /nfs/dbraw/zinc/96/93/01/482969301.db2.gz ZSYGBZNOLRRJJX-HOTGVXAUSA-N 2 1 295.471 1.513 50 0 CDAAMP C[N@@H+](Cc1cnccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000670452903 483022751 /nfs/dbraw/zinc/02/27/51/483022751.db2.gz JCQCFHUYWKPXDD-UHFFFAOYSA-N 2 1 297.830 1.871 50 0 CDAAMP C[N@H+](Cc1cnccc1Cl)CC1CC[NH+](CCO)CC1 ZINC000670452903 483022752 /nfs/dbraw/zinc/02/27/52/483022752.db2.gz JCQCFHUYWKPXDD-UHFFFAOYSA-N 2 1 297.830 1.871 50 0 CDAAMP Cc1ncn(CC[NH2+][C@H](C)Cn2cc[nH+]c2C)c1C ZINC000670460747 483046105 /nfs/dbraw/zinc/04/61/05/483046105.db2.gz BHWCNHSSJYTGBZ-LLVKDONJSA-N 2 1 261.373 1.683 50 0 CDAAMP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000864097091 751479552 /nfs/dbraw/zinc/47/95/52/751479552.db2.gz NLUGSPONEUHYGV-QEJZJMRPSA-N 2 1 295.814 1.313 50 0 CDAAMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CSCCSC1 ZINC000952968264 749844669 /nfs/dbraw/zinc/84/46/69/749844669.db2.gz KSCZDCAGNKLBND-LBPRGKRZSA-N 2 1 260.472 1.909 50 0 CDAAMP C[C@H](CC[N@H+](C)CCc1nccn1C)[NH+]1CCCC1 ZINC001506395093 908876413 /nfs/dbraw/zinc/87/64/13/908876413.db2.gz CATUQCDJPWAORV-CQSZACIVSA-N 2 1 264.417 1.769 50 0 CDAAMP C[C@H](CC[N@@H+](C)CCc1nccn1C)[NH+]1CCCC1 ZINC001506395093 908876429 /nfs/dbraw/zinc/87/64/29/908876429.db2.gz CATUQCDJPWAORV-CQSZACIVSA-N 2 1 264.417 1.769 50 0 CDAAMP C[C@H](CCN(C)CCc1[nH+]ccn1C)[NH+]1CCCC1 ZINC001506395093 908876448 /nfs/dbraw/zinc/87/64/48/908876448.db2.gz CATUQCDJPWAORV-CQSZACIVSA-N 2 1 264.417 1.769 50 0 CDAAMP C[NH+]1CCN([C@H]2COC[C@@H]2[NH2+]C2CCCCCC2)CC1 ZINC000823792628 925732456 /nfs/dbraw/zinc/73/24/56/925732456.db2.gz AHHJRLXEHOBGDQ-HOTGVXAUSA-N 2 1 281.444 1.314 50 0 CDAAMP Cc1[nH+]ccn1CCN(C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]1C2 ZINC000222778932 230398536 /nfs/dbraw/zinc/39/85/36/230398536.db2.gz NQSUZYQSAZCMDH-KGLIPLIRSA-N 2 1 276.384 1.134 50 0 CDAAMP Cc1[nH+]ccn1CCN(C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000222778932 230398537 /nfs/dbraw/zinc/39/85/37/230398537.db2.gz NQSUZYQSAZCMDH-KGLIPLIRSA-N 2 1 276.384 1.134 50 0 CDAAMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC000095985132 185055321 /nfs/dbraw/zinc/05/53/21/185055321.db2.gz MXUPRHXCXXCALZ-OAHLLOKOSA-N 2 1 263.385 1.579 50 0 CDAAMP [NH2+]=C1c2ccccc2CN1CCC[NH+]1CCOCC1 ZINC000002645161 356093048 /nfs/dbraw/zinc/09/30/48/356093048.db2.gz DHAVIHWFLCHUIK-UHFFFAOYSA-N 2 1 259.353 1.550 50 0 CDAAMP CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000016124113 356431588 /nfs/dbraw/zinc/43/15/88/356431588.db2.gz DUNDIGFYPOUEEK-CYBMUJFWSA-N 2 1 297.443 1.975 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000014951820 356402595 /nfs/dbraw/zinc/40/25/95/356402595.db2.gz SZCUNGREJZRXQL-AWEZNQCLSA-N 2 1 279.428 1.415 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000014951820 356402599 /nfs/dbraw/zinc/40/25/99/356402599.db2.gz SZCUNGREJZRXQL-AWEZNQCLSA-N 2 1 279.428 1.415 50 0 CDAAMP CN1CCC([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000020143112 356527547 /nfs/dbraw/zinc/52/75/47/356527547.db2.gz LYUICTQOSXRXID-UHFFFAOYSA-N 2 1 253.434 1.979 50 0 CDAAMP CCc1c[nH+]c(N)nc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000095361520 358685663 /nfs/dbraw/zinc/68/56/63/358685663.db2.gz CXEPNUJECLFIOD-CQSZACIVSA-N 2 1 283.379 1.772 50 0 CDAAMP Cc1[nH+]ccn1[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000426571531 360684202 /nfs/dbraw/zinc/68/42/02/360684202.db2.gz ARMJSHOPROFZIJ-CYBMUJFWSA-N 2 1 278.400 1.745 50 0 CDAAMP C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1c[nH]cn1)C2 ZINC000426470677 360672599 /nfs/dbraw/zinc/67/25/99/360672599.db2.gz PIHQDYLCNUEFGW-JSGCOSHPSA-N 2 1 291.399 1.078 50 0 CDAAMP C[N@@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1cnc[nH]1)C2 ZINC000426470677 360672602 /nfs/dbraw/zinc/67/26/02/360672602.db2.gz PIHQDYLCNUEFGW-JSGCOSHPSA-N 2 1 291.399 1.078 50 0 CDAAMP C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)NCCc1cnc[nH]1)C2 ZINC000426470677 360672603 /nfs/dbraw/zinc/67/26/03/360672603.db2.gz PIHQDYLCNUEFGW-JSGCOSHPSA-N 2 1 291.399 1.078 50 0 CDAAMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000299740097 200851672 /nfs/dbraw/zinc/85/16/72/200851672.db2.gz VQNUWUXIESAUJJ-TUVASFSCSA-N 2 1 297.443 1.214 50 0 CDAAMP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000241316732 376019918 /nfs/dbraw/zinc/01/99/18/376019918.db2.gz LULCOYMQYGPPGL-AJNGGQMLSA-N 2 1 279.428 1.317 50 0 CDAAMP CC(C)[NH2+]C[C@H](O)C[NH2+][C@@H](C)[C@H]1COc2ccccc2O1 ZINC000245380595 275656981 /nfs/dbraw/zinc/65/69/81/275656981.db2.gz AANQMDAPDINSQM-HEHGZKQESA-N 2 1 294.395 1.163 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3cc[nH]c3n1)C2 ZINC000534574461 328309487 /nfs/dbraw/zinc/30/94/87/328309487.db2.gz NVVXGBWEWRGHFE-IMRBUKKESA-N 2 1 256.353 1.732 50 0 CDAAMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000534672294 328348168 /nfs/dbraw/zinc/34/81/68/328348168.db2.gz JSGSNAWQGUQHNI-CQSZACIVSA-N 2 1 281.444 1.757 50 0 CDAAMP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000219833231 534419370 /nfs/dbraw/zinc/41/93/70/534419370.db2.gz BQQNTMUVGADNQL-IAGOWNOFSA-N 2 1 290.407 1.390 50 0 CDAAMP CC(=O)N(C)[C@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067964889 519448785 /nfs/dbraw/zinc/44/87/85/519448785.db2.gz NLYCVHDUVNOERV-INIZCTEOSA-N 2 1 293.455 1.851 50 0 CDAAMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757213054 577036190 /nfs/dbraw/zinc/03/61/90/577036190.db2.gz NNGYGHVINMQSEQ-KJPMQGKISA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C[C@@H]1[NH3+] ZINC000757210042 577036206 /nfs/dbraw/zinc/03/62/06/577036206.db2.gz HQFSEQAUFRVGQX-KAMPLNKDSA-N 2 1 265.323 1.242 50 0 CDAAMP CCCC[NH+]1CCN(C(=O)[C@H](CC)[N@H+](C)CC)CC1 ZINC000952969414 614996013 /nfs/dbraw/zinc/99/60/13/614996013.db2.gz NESNQMMAKWNUND-AWEZNQCLSA-N 2 1 269.433 1.661 50 0 CDAAMP CCCC[NH+]1CCN(C(=O)[C@H](CC)[N@@H+](C)CC)CC1 ZINC000952969414 614996015 /nfs/dbraw/zinc/99/60/15/614996015.db2.gz NESNQMMAKWNUND-AWEZNQCLSA-N 2 1 269.433 1.661 50 0 CDAAMP CCN(C[C@H]1CC[N@@H+](CC)C1)C(=O)C1([NH3+])CCCC1 ZINC000952991356 615270967 /nfs/dbraw/zinc/27/09/67/615270967.db2.gz XUSLOBKFLXECHW-ZDUSSCGKSA-N 2 1 267.417 1.448 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000823688777 925720681 /nfs/dbraw/zinc/72/06/81/925720681.db2.gz RCVBLHQWWRRRNS-OAHLLOKOSA-N 2 1 279.432 1.639 50 0 CDAAMP Cc1nncn1CC[N@@H+](C)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000823688777 925720688 /nfs/dbraw/zinc/72/06/88/925720688.db2.gz RCVBLHQWWRRRNS-OAHLLOKOSA-N 2 1 279.432 1.639 50 0 CDAAMP Cc1nncn1CC[N@H+](C)C[C@H]1CCC[NH+](C(C)C)C1 ZINC000823688777 925720694 /nfs/dbraw/zinc/72/06/94/925720694.db2.gz RCVBLHQWWRRRNS-OAHLLOKOSA-N 2 1 279.432 1.639 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@H]3C[N@H+](C)CCN3C)c2c1 ZINC001506399571 975148983 /nfs/dbraw/zinc/14/89/83/975148983.db2.gz AQOJMRGOVBEBSZ-HNNXBMFYSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC001506399571 975148987 /nfs/dbraw/zinc/14/89/87/975148987.db2.gz AQOJMRGOVBEBSZ-HNNXBMFYSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@H]3CN(C)CC[N@H+]3C)c2c1 ZINC001506399571 975148988 /nfs/dbraw/zinc/14/89/88/975148988.db2.gz AQOJMRGOVBEBSZ-HNNXBMFYSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1cc(NC[C@H](O)C[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000096456196 230377273 /nfs/dbraw/zinc/37/72/73/230377273.db2.gz BNMOLNJSNXHCKG-AWEZNQCLSA-N 2 1 278.400 1.598 50 0 CDAAMP CC(C)[C@H]1[N@@H+](Cc2ccccc2)C[C@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944108 539046073 /nfs/dbraw/zinc/04/60/73/539046073.db2.gz LVUNZYDAQWYWGR-QBPKDAKJSA-N 2 1 274.408 1.995 50 0 CDAAMP Cc1[nH+]ccn1CCNC(=O)C[NH+]1CCCCCCC1 ZINC000252481631 362385900 /nfs/dbraw/zinc/38/59/00/362385900.db2.gz CPRQJSGTQZQGTG-UHFFFAOYSA-N 2 1 278.400 1.574 50 0 CDAAMP C[NH+](C)C[C@@H]1COCC[N@@H+](C2CSCCSC2)C1 ZINC000584900324 349362360 /nfs/dbraw/zinc/36/23/60/349362360.db2.gz FVZCZUTWEOSAGT-LBPRGKRZSA-N 2 1 290.498 1.345 50 0 CDAAMP C[NH+](C)C[C@@H]1COCC[N@H+](C2CSCCSC2)C1 ZINC000584900324 349362362 /nfs/dbraw/zinc/36/23/62/349362362.db2.gz FVZCZUTWEOSAGT-LBPRGKRZSA-N 2 1 290.498 1.345 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Br)cc1 ZINC000000146421 355890873 /nfs/dbraw/zinc/89/08/73/355890873.db2.gz LLRTYNPSGQWCLZ-UHFFFAOYSA-N 2 1 296.172 1.635 50 0 CDAAMP CN1CCC([N@H+]2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706817 356318925 /nfs/dbraw/zinc/31/89/25/356318925.db2.gz LVOMTRKEHLVGDJ-AWEZNQCLSA-N 2 1 293.455 1.851 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706817 356318930 /nfs/dbraw/zinc/31/89/30/356318930.db2.gz LVOMTRKEHLVGDJ-AWEZNQCLSA-N 2 1 293.455 1.851 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706817 356318933 /nfs/dbraw/zinc/31/89/33/356318933.db2.gz LVOMTRKEHLVGDJ-AWEZNQCLSA-N 2 1 293.455 1.851 50 0 CDAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188395144 357657802 /nfs/dbraw/zinc/65/78/02/357657802.db2.gz DGDKBTVFGXGDFM-GFCCVEGCSA-N 2 1 264.373 1.217 50 0 CDAAMP Cc1cccc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]1 ZINC000097163290 358005013 /nfs/dbraw/zinc/00/50/13/358005013.db2.gz ULMUOCMDVUQLGH-UHFFFAOYSA-N 2 1 288.395 1.134 50 0 CDAAMP CCCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252513903 367726505 /nfs/dbraw/zinc/72/65/05/367726505.db2.gz AQWQWFFHNJJHCD-UKRRQHHQSA-N 2 1 281.444 1.979 50 0 CDAAMP CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)CCCn1ccnc1 ZINC000299800829 372771259 /nfs/dbraw/zinc/77/12/59/372771259.db2.gz JAKDNUXWTFNWEG-AWEZNQCLSA-N 2 1 292.427 1.852 50 0 CDAAMP C[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299738465 375199628 /nfs/dbraw/zinc/19/96/28/375199628.db2.gz BDLHYPLZEHHBHX-GDBMZVCRSA-N 2 1 289.423 1.575 50 0 CDAAMP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000261557489 140347352 /nfs/dbraw/zinc/34/73/52/140347352.db2.gz RUNNHIZYJXKICE-ZDUSSCGKSA-N 2 1 251.399 1.228 50 0 CDAAMP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000534649341 328343890 /nfs/dbraw/zinc/34/38/90/328343890.db2.gz CGVXHULNVUWRNV-OAHLLOKOSA-N 2 1 293.455 1.853 50 0 CDAAMP [NH3+]CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000072409823 567902791 /nfs/dbraw/zinc/90/27/91/567902791.db2.gz AVEBHFIVNGVUPB-ZDUSSCGKSA-N 2 1 281.787 1.379 50 0 CDAAMP [NH3+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072409823 567902793 /nfs/dbraw/zinc/90/27/93/567902793.db2.gz AVEBHFIVNGVUPB-ZDUSSCGKSA-N 2 1 281.787 1.379 50 0 CDAAMP OC[C@]12C[NH2+]C[C@H]1C[N@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711469 1159445927 /nfs/dbraw/zinc/44/59/27/1159445927.db2.gz YZVUTMBLYXAVPR-XJKSGUPXSA-N 2 1 264.413 1.613 50 0 CDAAMP COc1ccc2c(C[N@H+]3CC[C@@H](C[NH3+])C3)cn(C)c2c1 ZINC000071749580 768898471 /nfs/dbraw/zinc/89/84/71/768898471.db2.gz QJOZLHOTRLWWPP-LBPRGKRZSA-N 2 1 273.380 1.968 50 0 CDAAMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000244678647 361857424 /nfs/dbraw/zinc/85/74/24/361857424.db2.gz IHNGQYRMKWWXBO-AWEZNQCLSA-N 2 1 250.390 1.513 50 0 CDAAMP C[N@H+]1CCC[C@H]1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000097436786 358776384 /nfs/dbraw/zinc/77/63/84/358776384.db2.gz MOJJJMKLLHDEFG-AWEZNQCLSA-N 2 1 261.369 1.246 50 0 CDAAMP OC[C@H]1C[N@@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421500 360231750 /nfs/dbraw/zinc/23/17/50/360231750.db2.gz ZLJCQDUIHBAHHP-CQSZACIVSA-N 2 1 278.371 1.620 50 0 CDAAMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000248159827 360417524 /nfs/dbraw/zinc/41/75/24/360417524.db2.gz RXWJXZNFHZUSMX-HUUCEWRRSA-N 2 1 277.412 1.334 50 0 CDAAMP O=C(c1ccccc1)N1CCC([N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000426396671 360663904 /nfs/dbraw/zinc/66/39/04/360663904.db2.gz USAUIIJRELVPNA-DOTOQJQBSA-N 2 1 299.418 1.585 50 0 CDAAMP C[C@H](CNC(=O)NC[C@H](C)[NH+](C)C1CC1)[N@@H+](C)C1CC1 ZINC000089900971 366961383 /nfs/dbraw/zinc/96/13/83/366961383.db2.gz RLNHVMIYFVIJAV-TXEJJXNPSA-N 2 1 282.432 1.251 50 0 CDAAMP C[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900971 366961387 /nfs/dbraw/zinc/96/13/87/366961387.db2.gz RLNHVMIYFVIJAV-TXEJJXNPSA-N 2 1 282.432 1.251 50 0 CDAAMP C[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900971 366961394 /nfs/dbraw/zinc/96/13/94/366961394.db2.gz RLNHVMIYFVIJAV-TXEJJXNPSA-N 2 1 282.432 1.251 50 0 CDAAMP Cc1[nH+]ccn1CCC(=O)N(C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000299773515 372753140 /nfs/dbraw/zinc/75/31/40/372753140.db2.gz DPTBRFAQZWLLLY-CQSZACIVSA-N 2 1 292.427 1.770 50 0 CDAAMP Cc1[nH+]ccn1CCC(=O)N(C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000299773515 372753144 /nfs/dbraw/zinc/75/31/44/372753144.db2.gz DPTBRFAQZWLLLY-CQSZACIVSA-N 2 1 292.427 1.770 50 0 CDAAMP C[N@H+](CCO)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450371813 251251400 /nfs/dbraw/zinc/25/14/00/251251400.db2.gz KLJJSCNDYSHHIL-UHFFFAOYSA-N 2 1 252.402 1.875 50 0 CDAAMP C[N@@H+](CCO)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450371813 251251403 /nfs/dbraw/zinc/25/14/03/251251403.db2.gz KLJJSCNDYSHHIL-UHFFFAOYSA-N 2 1 252.402 1.875 50 0 CDAAMP CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424713 390515718 /nfs/dbraw/zinc/51/57/18/390515718.db2.gz VOJUROBBYILNPW-IKGGRYGDSA-N 2 1 298.471 1.705 50 0 CDAAMP CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424713 390515723 /nfs/dbraw/zinc/51/57/23/390515723.db2.gz VOJUROBBYILNPW-IKGGRYGDSA-N 2 1 298.471 1.705 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1C(F)(F)F ZINC000000071375 275875827 /nfs/dbraw/zinc/87/58/27/275875827.db2.gz NQJSJMOZDIIQHJ-UHFFFAOYSA-N 2 1 285.273 1.891 50 0 CDAAMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067726497 277390521 /nfs/dbraw/zinc/39/05/21/277390521.db2.gz NNUYZIFHLHGZKP-AWEZNQCLSA-N 2 1 281.444 1.742 50 0 CDAAMP O=C([C@H]1CCC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000534649340 328343871 /nfs/dbraw/zinc/34/38/71/328343871.db2.gz CGVXHULNVUWRNV-HNNXBMFYSA-N 2 1 293.455 1.853 50 0 CDAAMP COC[C@@H](O)C[NH+]1CCC([NH2+]Cc2cccc(C)c2)CC1 ZINC000089800813 327173589 /nfs/dbraw/zinc/17/35/89/327173589.db2.gz QQWMSFRMJULHMO-KRWDZBQOSA-N 2 1 292.423 1.556 50 0 CDAAMP CC[N@H+](C)CCC[NH+](C)Cc1ccc2nonc2c1 ZINC001704353168 1177698693 /nfs/dbraw/zinc/69/86/93/1177698693.db2.gz BFIQMIWPLSWOMQ-UHFFFAOYSA-N 2 1 262.357 1.996 50 0 CDAAMP CC[N@@H+](C)CCC[NH+](C)Cc1ccc2nonc2c1 ZINC001704353168 1177698699 /nfs/dbraw/zinc/69/86/99/1177698699.db2.gz BFIQMIWPLSWOMQ-UHFFFAOYSA-N 2 1 262.357 1.996 50 0 CDAAMP CC[NH+](C)CCC[N@H+](C)Cc1ccc2nonc2c1 ZINC001704353168 1177698706 /nfs/dbraw/zinc/69/87/06/1177698706.db2.gz BFIQMIWPLSWOMQ-UHFFFAOYSA-N 2 1 262.357 1.996 50 0 CDAAMP CC[NH+](C)CCC[N@@H+](C)Cc1ccc2nonc2c1 ZINC001704353168 1177698710 /nfs/dbraw/zinc/69/87/10/1177698710.db2.gz BFIQMIWPLSWOMQ-UHFFFAOYSA-N 2 1 262.357 1.996 50 0 CDAAMP CC[N@H+]1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000067855425 778302149 /nfs/dbraw/zinc/30/21/49/778302149.db2.gz VQDWRQCBVZKFRR-ZDUSSCGKSA-N 2 1 250.390 1.644 50 0 CDAAMP C[NH2+]C[C@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000244678648 361857091 /nfs/dbraw/zinc/85/70/91/361857091.db2.gz IHNGQYRMKWWXBO-CQSZACIVSA-N 2 1 250.390 1.513 50 0 CDAAMP CC(C)[N@H+]1CCCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000095996130 539088251 /nfs/dbraw/zinc/08/82/51/539088251.db2.gz SJLWCXCJDQATFR-CQSZACIVSA-N 2 1 253.390 1.057 50 0 CDAAMP [NH3+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000191353028 362421624 /nfs/dbraw/zinc/42/16/24/362421624.db2.gz CJZQUHVFHBWUHT-HZPDHXFCSA-N 2 1 287.407 1.601 50 0 CDAAMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCC3)CC2)C1 ZINC000078950028 350881233 /nfs/dbraw/zinc/88/12/33/350881233.db2.gz XSNTXNRKTXIXHL-OAHLLOKOSA-N 2 1 251.418 1.498 50 0 CDAAMP CC(C)CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012473969 356301383 /nfs/dbraw/zinc/30/13/83/356301383.db2.gz VXJPQVZMRDVLRS-AWEZNQCLSA-N 2 1 281.444 1.565 50 0 CDAAMP CC(C)CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012473969 356301385 /nfs/dbraw/zinc/30/13/85/356301385.db2.gz VXJPQVZMRDVLRS-AWEZNQCLSA-N 2 1 281.444 1.565 50 0 CDAAMP C[NH+](C)CCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000032126186 356775636 /nfs/dbraw/zinc/77/56/36/356775636.db2.gz XKFTZCZJQJVUJX-UHFFFAOYSA-N 3 1 279.428 1.668 50 0 CDAAMP [NH3+]C1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000011729523 283414834 /nfs/dbraw/zinc/41/48/34/283414834.db2.gz HRBIZTJAMVKWIO-CYBMUJFWSA-N 2 1 254.761 1.797 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000240471629 376017305 /nfs/dbraw/zinc/01/73/05/376017305.db2.gz GDILOLXJPWOZLM-AGIUHOORSA-N 2 1 291.361 1.839 50 0 CDAAMP Cc1c[nH+]c(N)nc1N(C)CC[C@@H](C)[NH+]1CCCC1 ZINC000091424926 302347970 /nfs/dbraw/zinc/34/79/70/302347970.db2.gz KOAWLUILMXZQDZ-GFCCVEGCSA-N 2 1 263.389 1.678 50 0 CDAAMP CC[C@H](CNC(=O)N(C)Cc1nc(C)c[nH]1)[N@@H+](C)CC ZINC000534653352 328338528 /nfs/dbraw/zinc/33/85/28/328338528.db2.gz ODFMKYUPXFPHSX-GFCCVEGCSA-N 2 1 281.404 1.590 50 0 CDAAMP Cc1nc(CN2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)n(C)c1C ZINC000670443514 482988472 /nfs/dbraw/zinc/98/84/72/482988472.db2.gz VOWLQVCGHDGYGH-GJZGRUSLSA-N 2 1 276.428 1.953 50 0 CDAAMP CC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](CCO)CC1 ZINC000581814675 927206372 /nfs/dbraw/zinc/20/63/72/927206372.db2.gz WTQRAYNDLYINDR-HNNXBMFYSA-N 2 1 292.427 1.354 50 0 CDAAMP CC[N@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](CCO)CC1 ZINC000581814675 927206385 /nfs/dbraw/zinc/20/63/85/927206385.db2.gz WTQRAYNDLYINDR-HNNXBMFYSA-N 2 1 292.427 1.354 50 0 CDAAMP CC[N@@H+]1CCC[C@]2(CCC[NH+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154537 /nfs/dbraw/zinc/15/45/37/975154537.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[N@H+]1CCC[C@]2(CCC[NH+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154539 /nfs/dbraw/zinc/15/45/39/975154539.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[NH+]1CCC[C@]2(CCC[N@H+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154540 /nfs/dbraw/zinc/15/45/40/975154540.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[NH+]1CCC[C@]2(CCC[N@@H+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154543 /nfs/dbraw/zinc/15/45/43/975154543.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 2 1 291.443 1.784 50 0 CDAAMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523353 283322078 /nfs/dbraw/zinc/32/20/78/283322078.db2.gz RGTXIGOLOJSJPJ-KBPBESRZSA-N 2 1 267.417 1.319 50 0 CDAAMP OC1CC[NH+]([C@@H]2CC[N@H+](CC3CCCC3)C[C@H]2O)CC1 ZINC000012710406 376973068 /nfs/dbraw/zinc/97/30/68/376973068.db2.gz AKODJGBLUQQEFM-HZPDHXFCSA-N 2 1 282.428 1.069 50 0 CDAAMP OC1CC[NH+]([C@@H]2CC[N@@H+](CC3CCCC3)C[C@H]2O)CC1 ZINC000012710406 376973075 /nfs/dbraw/zinc/97/30/75/376973075.db2.gz AKODJGBLUQQEFM-HZPDHXFCSA-N 2 1 282.428 1.069 50 0 CDAAMP OCC[N@@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000095960776 275046895 /nfs/dbraw/zinc/04/68/95/275046895.db2.gz VQOYDYGDLCQHGG-UHFFFAOYSA-N 2 1 289.354 1.878 50 0 CDAAMP OCC[N@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000095960776 275046896 /nfs/dbraw/zinc/04/68/96/275046896.db2.gz VQOYDYGDLCQHGG-UHFFFAOYSA-N 2 1 289.354 1.878 50 0 CDAAMP CCC[N@@H+]1CC[C@@H](CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000091457816 276013782 /nfs/dbraw/zinc/01/37/82/276013782.db2.gz NRFJTLYVDDRDAA-LBPRGKRZSA-N 2 1 263.389 1.686 50 0 CDAAMP CCC[N@H+]1CC[C@@H](CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000091457816 276013783 /nfs/dbraw/zinc/01/37/83/276013783.db2.gz NRFJTLYVDDRDAA-LBPRGKRZSA-N 2 1 263.389 1.686 50 0 CDAAMP CCCCc1nc(NCC[NH2+][C@@H]2CCCOC2)cc(C)[nH+]1 ZINC000534674659 328349834 /nfs/dbraw/zinc/34/98/34/328349834.db2.gz AQJGGLFKCUGGBQ-CQSZACIVSA-N 2 1 292.427 1.730 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670426612 482953427 /nfs/dbraw/zinc/95/34/27/482953427.db2.gz IGDMEWXWKIGXBD-LLVKDONJSA-N 2 1 270.340 1.413 50 0 CDAAMP CCCc1cc(NC[C@]2(O)CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000072133354 936652878 /nfs/dbraw/zinc/65/28/78/936652878.db2.gz LOTGIDXRCKBOOO-HNNXBMFYSA-N 2 1 278.400 1.654 50 0 CDAAMP Cc1[nH+]ccn1CC[C@@H](C)[NH2+]Cc1nncn1C(C)C ZINC000821182127 925566450 /nfs/dbraw/zinc/56/64/50/925566450.db2.gz YTDMRVFJRIUCDR-GFCCVEGCSA-N 2 1 276.388 1.932 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000828827574 926194158 /nfs/dbraw/zinc/19/41/58/926194158.db2.gz GJTVCIWCBGZKFV-GFCCVEGCSA-N 2 1 259.353 1.862 50 0 CDAAMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000585117013 930972157 /nfs/dbraw/zinc/97/21/57/930972157.db2.gz OXKWCWHYPNZXAG-UKRRQHHQSA-N 2 1 264.417 1.972 50 0 CDAAMP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000585117013 930972164 /nfs/dbraw/zinc/97/21/64/930972164.db2.gz OXKWCWHYPNZXAG-UKRRQHHQSA-N 2 1 264.417 1.972 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+][C@H]1CC[C@@H]([NH3+])CC1 ZINC001506399111 975149528 /nfs/dbraw/zinc/14/95/28/975149528.db2.gz ZCUFZRMOIASJCD-RWMBFGLXSA-N 3 1 250.390 1.694 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+](CCn2cc[nH]c2=O)CC1 ZINC000252508651 362389884 /nfs/dbraw/zinc/38/98/84/362389884.db2.gz XQIFNMNCQWSCHA-UHFFFAOYSA-N 2 1 289.383 1.094 50 0 CDAAMP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000426372403 358491021 /nfs/dbraw/zinc/49/10/21/358491021.db2.gz WWUWAJZAOMXFGT-GEEKYZPCSA-N 2 1 258.365 1.877 50 0 CDAAMP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000426372403 358491026 /nfs/dbraw/zinc/49/10/26/358491026.db2.gz WWUWAJZAOMXFGT-GEEKYZPCSA-N 2 1 258.365 1.877 50 0 CDAAMP CCc1[nH+]c(N)nc(NCC23CCC[NH+]2CCC3)c1C ZINC000095371898 358687809 /nfs/dbraw/zinc/68/78/09/358687809.db2.gz QKXBOTGVKKJRHP-UHFFFAOYSA-N 2 1 275.400 1.970 50 0 CDAAMP C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012704195 277031272 /nfs/dbraw/zinc/03/12/72/277031272.db2.gz OGMSHHZXRPJFSN-OAHLLOKOSA-N 2 1 293.455 1.994 50 0 CDAAMP CC(=O)N(C)[C@@H]1CC[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067964886 519448824 /nfs/dbraw/zinc/44/88/24/519448824.db2.gz NLYCVHDUVNOERV-MRXNPFEDSA-N 2 1 293.455 1.851 50 0 CDAAMP CCN(C[C@@H]1CC[N@H+](CC)C1)C(=O)CCn1cc[nH+]c1C ZINC000952981557 615203844 /nfs/dbraw/zinc/20/38/44/615203844.db2.gz ISCWNFGIRWFMAZ-OAHLLOKOSA-N 2 1 292.427 1.772 50 0 CDAAMP CCN(C[C@@H]1CC[N@@H+](CC)C1)C(=O)CCn1cc[nH+]c1C ZINC000952981557 615203846 /nfs/dbraw/zinc/20/38/46/615203846.db2.gz ISCWNFGIRWFMAZ-OAHLLOKOSA-N 2 1 292.427 1.772 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001772705437 1159439985 /nfs/dbraw/zinc/43/99/85/1159439985.db2.gz YWVPNKPXSZJBGY-GFCCVEGCSA-N 2 1 291.399 1.192 50 0 CDAAMP c1nn2cccnc2c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426535987 784351512 /nfs/dbraw/zinc/35/15/12/784351512.db2.gz YRZZXUXDLUNRKW-UHFFFAOYSA-N 2 1 271.368 1.305 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCCN1C ZINC000243956735 937589098 /nfs/dbraw/zinc/58/90/98/937589098.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 2 1 264.417 1.998 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCCN1C ZINC000243956735 937589099 /nfs/dbraw/zinc/58/90/99/937589099.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 2 1 264.417 1.998 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000107524939 398151614 /nfs/dbraw/zinc/15/16/14/398151614.db2.gz PYYKMKAJZAWCMR-YNEHKIRRSA-N 2 1 291.361 1.839 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000107524939 398151617 /nfs/dbraw/zinc/15/16/17/398151617.db2.gz PYYKMKAJZAWCMR-YNEHKIRRSA-N 2 1 291.361 1.839 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000244882811 361867850 /nfs/dbraw/zinc/86/78/50/361867850.db2.gz XZLCREKDRFTCOX-IAZYJMLFSA-N 2 1 254.765 1.206 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](CCn1cc(Cl)cn1)C2 ZINC000244882811 361867856 /nfs/dbraw/zinc/86/78/56/361867856.db2.gz XZLCREKDRFTCOX-IAZYJMLFSA-N 2 1 254.765 1.206 50 0 CDAAMP CC[C@]1(CO)CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192841585 529431417 /nfs/dbraw/zinc/43/14/17/529431417.db2.gz GVTFDKSWWCDIFQ-QGZVFWFLSA-N 2 1 297.487 1.639 50 0 CDAAMP CC(=O)N1CCC([N@H+]2CCC[C@H](Cn3ccnc3)C2)CC1 ZINC000065501362 357545630 /nfs/dbraw/zinc/54/56/30/357545630.db2.gz CCXSCWZALNOZHB-OAHLLOKOSA-N 2 1 290.411 1.606 50 0 CDAAMP CSc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097499508 358780811 /nfs/dbraw/zinc/78/08/11/358780811.db2.gz KRTLIGSTNGNTBP-OAHLLOKOSA-N 2 1 291.464 1.888 50 0 CDAAMP CCN(C)C(=O)[C@H](C)[N@@H+](C)CCCc1nccn1C ZINC000299777462 372754750 /nfs/dbraw/zinc/75/47/50/372754750.db2.gz NJBQKHHDQGWJQX-LBPRGKRZSA-N 2 1 266.389 1.151 50 0 CDAAMP CCN(C)C(=O)[C@H](C)[N@H+](C)CCCc1[nH+]ccn1C ZINC000299777462 372754754 /nfs/dbraw/zinc/75/47/54/372754754.db2.gz NJBQKHHDQGWJQX-LBPRGKRZSA-N 2 1 266.389 1.151 50 0 CDAAMP CC[N@H+]1CCC[C@@](C)(C[NH+]2CCC(CO)CC2)C1 ZINC000019642384 374767982 /nfs/dbraw/zinc/76/79/82/374767982.db2.gz OLMDMUBUWKXJLF-OAHLLOKOSA-N 2 1 254.418 1.813 50 0 CDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000299738716 375200353 /nfs/dbraw/zinc/20/03/53/375200353.db2.gz FMRYHZJVWARLMI-MELADBBJSA-N 2 1 267.417 1.447 50 0 CDAAMP Cc1n[nH]c(C)c1CCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000067756357 377234840 /nfs/dbraw/zinc/23/48/40/377234840.db2.gz OKIKBJTWSHRQDW-ZDUSSCGKSA-N 2 1 250.390 1.689 50 0 CDAAMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[NH3+] ZINC000299739976 390595806 /nfs/dbraw/zinc/59/58/06/390595806.db2.gz UIGOCNAEAOLZRH-UKRRQHHQSA-N 2 1 275.396 1.314 50 0 CDAAMP Cc1cc(Cl)ccc1OCCOCC[NH2+]CC[NH3+] ZINC000022079123 171352655 /nfs/dbraw/zinc/35/26/55/171352655.db2.gz JMXDJUARNAXMRF-UHFFFAOYSA-N 2 1 272.776 1.592 50 0 CDAAMP CCCCc1ncc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH]1 ZINC000822884285 925654503 /nfs/dbraw/zinc/65/45/03/925654503.db2.gz CGCIIGLFEBFSJP-BETUJISGSA-N 2 1 262.401 1.746 50 0 CDAAMP COCC1(C[NH2+][C@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000824346791 925817613 /nfs/dbraw/zinc/81/76/13/925817613.db2.gz FFJFGGIWPWRFHE-GFCCVEGCSA-N 2 1 251.374 1.986 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000263241465 362376659 /nfs/dbraw/zinc/37/66/59/362376659.db2.gz ORPMDLQGPOTXDM-GDBMZVCRSA-N 2 1 295.471 1.955 50 0 CDAAMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000215074957 358873132 /nfs/dbraw/zinc/87/31/32/358873132.db2.gz CPVYGNODEQXLCN-ZDUSSCGKSA-N 2 1 250.390 1.943 50 0 CDAAMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000215074957 358873133 /nfs/dbraw/zinc/87/31/33/358873133.db2.gz CPVYGNODEQXLCN-ZDUSSCGKSA-N 2 1 250.390 1.943 50 0 CDAAMP CN(C)c1ncc(C[N@H+](C)CCCc2[nH+]ccn2C)cn1 ZINC000215364931 358885880 /nfs/dbraw/zinc/88/58/80/358885880.db2.gz GJNHNDPXYIHMNE-UHFFFAOYSA-N 2 1 288.399 1.341 50 0 CDAAMP CN(C)c1ncc(C[N@@H+](C)CCCc2[nH+]ccn2C)cn1 ZINC000215364931 358885885 /nfs/dbraw/zinc/88/58/85/358885885.db2.gz GJNHNDPXYIHMNE-UHFFFAOYSA-N 2 1 288.399 1.341 50 0 CDAAMP C[NH2+]CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000071639251 277263487 /nfs/dbraw/zinc/26/34/87/277263487.db2.gz BVRUNOOCHMSQQO-UHFFFAOYSA-N 2 1 289.423 1.373 50 0 CDAAMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000011840357 282058859 /nfs/dbraw/zinc/05/88/59/282058859.db2.gz OFQULTBYJYDJSZ-CQSZACIVSA-N 2 1 281.444 1.851 50 0 CDAAMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011840357 282058862 /nfs/dbraw/zinc/05/88/62/282058862.db2.gz OFQULTBYJYDJSZ-CQSZACIVSA-N 2 1 281.444 1.851 50 0 CDAAMP CC[C@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[N@@H+](C)CC ZINC000822554852 1161928655 /nfs/dbraw/zinc/92/86/55/1161928655.db2.gz OGBLGSWAWYYMTC-CYBMUJFWSA-N 2 1 269.433 1.707 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@H]1CCC[N@H+](CCOC)C1 ZINC001704336238 1177693203 /nfs/dbraw/zinc/69/32/03/1177693203.db2.gz WPXCZRMOAAGKJC-GFCCVEGCSA-N 2 1 293.415 1.392 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@H]1CCC[N@@H+](CCOC)C1 ZINC001704336238 1177693204 /nfs/dbraw/zinc/69/32/04/1177693204.db2.gz WPXCZRMOAAGKJC-GFCCVEGCSA-N 2 1 293.415 1.392 50 0 CDAAMP Cc1[nH]c(CN2CCC([NH2+]C(C)C)CC2)c(C)[nH+]1 ZINC000887268500 936940383 /nfs/dbraw/zinc/94/03/83/936940383.db2.gz NKEXQSIAVZIGDF-UHFFFAOYSA-N 2 1 250.390 1.989 50 0 CDAAMP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CC1CCC1)C2 ZINC000222782536 230398563 /nfs/dbraw/zinc/39/85/63/230398563.db2.gz SNISBODOUULBRR-MRXNPFEDSA-N 2 1 292.427 1.484 50 0 CDAAMP CC[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000097002314 185150473 /nfs/dbraw/zinc/15/04/73/185150473.db2.gz PZSREKOIWRHNFF-INIZCTEOSA-N 2 1 283.460 1.515 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nccs1 ZINC000584891079 349350216 /nfs/dbraw/zinc/35/02/16/349350216.db2.gz LBZQWKCQIUIRAR-SNVBAGLBSA-N 2 1 250.371 1.869 50 0 CDAAMP CC[C@H](CNc1nc(N)[nH+]c(C)c1C)[N@@H+](C)CC ZINC000091551313 180188963 /nfs/dbraw/zinc/18/89/63/180188963.db2.gz NSFWOMHZPJMLMJ-LLVKDONJSA-N 2 1 251.378 1.818 50 0 CDAAMP Cc1ccc(OCCOCC[NH2+]CC[NH3+])c(Cl)c1 ZINC000019772466 356501136 /nfs/dbraw/zinc/50/11/36/356501136.db2.gz IQSFSOJFFNUUEM-UHFFFAOYSA-N 2 1 272.776 1.592 50 0 CDAAMP OCCCCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063871880 357518568 /nfs/dbraw/zinc/51/85/68/357518568.db2.gz HBBRMNGRLGXUPA-HUUCEWRRSA-N 2 1 270.417 1.118 50 0 CDAAMP CN1CC[N@H+](C)Cc2ccc(NC(=O)C[NH+](C)C)cc21 ZINC000097104304 357968623 /nfs/dbraw/zinc/96/86/23/357968623.db2.gz PZDQRLZFXSOICO-UHFFFAOYSA-N 2 1 276.384 1.068 50 0 CDAAMP CN1CC[N@@H+](C)Cc2ccc(NC(=O)C[NH+](C)C)cc21 ZINC000097104304 357968627 /nfs/dbraw/zinc/96/86/27/357968627.db2.gz PZDQRLZFXSOICO-UHFFFAOYSA-N 2 1 276.384 1.068 50 0 CDAAMP C[C@@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+](C)C1CC1 ZINC000095351211 374888345 /nfs/dbraw/zinc/88/83/45/374888345.db2.gz OSQJQCFMHFHPBR-LBPRGKRZSA-N 2 1 294.443 1.395 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000242302103 376022072 /nfs/dbraw/zinc/02/20/72/376022072.db2.gz YPNWMTLDJLDHDB-TUVASFSCSA-N 2 1 282.428 1.358 50 0 CDAAMP Cc1ccc([C@@H]2CN(c3cc[nH+]c(N)n3)C[C@H]2[NH+](C)C)cc1 ZINC000077341253 390810280 /nfs/dbraw/zinc/81/02/80/390810280.db2.gz BCORIHNHFUBGKU-LSDHHAIUSA-N 2 1 297.406 1.901 50 0 CDAAMP CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000055132485 392864716 /nfs/dbraw/zinc/86/47/16/392864716.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 2 1 279.428 1.461 50 0 CDAAMP CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000055132485 392864722 /nfs/dbraw/zinc/86/47/22/392864722.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 2 1 279.428 1.461 50 0 CDAAMP CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000055132485 392864727 /nfs/dbraw/zinc/86/47/27/392864727.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 2 1 279.428 1.461 50 0 CDAAMP CC(=O)N[C@H]1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000055132485 392864736 /nfs/dbraw/zinc/86/47/36/392864736.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 2 1 279.428 1.461 50 0 CDAAMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC3CCC3)C2)CC1 ZINC000104376997 397942408 /nfs/dbraw/zinc/94/24/08/397942408.db2.gz PNBQRUDBVSWRIF-INIZCTEOSA-N 2 1 265.445 1.888 50 0 CDAAMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC3CCC3)C2)CC1 ZINC000104376997 397942412 /nfs/dbraw/zinc/94/24/12/397942412.db2.gz PNBQRUDBVSWRIF-INIZCTEOSA-N 2 1 265.445 1.888 50 0 CDAAMP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000020143437 171028857 /nfs/dbraw/zinc/02/88/57/171028857.db2.gz GABITMMYCRVJPW-UHFFFAOYSA-N 2 1 250.390 1.819 50 0 CDAAMP CC(C)C[N@@H+](Cc1ccsc1)C[C@]1(O)CC[NH2+]C1 ZINC000077505351 177275998 /nfs/dbraw/zinc/27/59/98/177275998.db2.gz OIQDKDLVHOCSMJ-AWEZNQCLSA-N 2 1 268.426 1.931 50 0 CDAAMP C[C@@]12C[NH2+]C[C@@](C)(C[N@H+](Cc3ccccc3)C1)C2O ZINC000013729306 278131873 /nfs/dbraw/zinc/13/18/73/278131873.db2.gz NRTKUYGHEKNAOU-MQVJKMGUSA-N 2 1 260.381 1.479 50 0 CDAAMP C[C@@]12C[NH2+]C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2O ZINC000013729306 278131876 /nfs/dbraw/zinc/13/18/76/278131876.db2.gz NRTKUYGHEKNAOU-MQVJKMGUSA-N 2 1 260.381 1.479 50 0 CDAAMP [NH3+]Cc1cn(C[C@H]2CCC[N@@H+](Cc3ccoc3)C2)nn1 ZINC000023153347 1159182072 /nfs/dbraw/zinc/18/20/72/1159182072.db2.gz CDTKNANCITWCKM-LBPRGKRZSA-N 2 1 275.356 1.242 50 0 CDAAMP CC[NH2+]C[C@H](O)COCCC[N@H+]1CCC[C@@H](C)C1 ZINC000023549977 482844749 /nfs/dbraw/zinc/84/47/49/482844749.db2.gz HPIOXBOTTXBOLI-KGLIPLIRSA-N 2 1 258.406 1.095 50 0 CDAAMP CCC[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022913454 812095471 /nfs/dbraw/zinc/09/54/71/812095471.db2.gz CNQXMKLWGIKOKQ-KRWDZBQOSA-N 2 1 297.487 1.638 50 0 CDAAMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CSCCSC1 ZINC000952968254 910535068 /nfs/dbraw/zinc/53/50/68/910535068.db2.gz KSCZDCAGNKLBND-GFCCVEGCSA-N 2 1 260.472 1.909 50 0 CDAAMP O[C@H]1CCC[N@@H+](CCCNc2cc[nH+]c3ccccc23)C1 ZINC000828627372 926151119 /nfs/dbraw/zinc/15/11/19/926151119.db2.gz IUWYJYFBIHHISJ-AWEZNQCLSA-N 2 1 285.391 1.915 50 0 CDAAMP CCC(=O)N1CC([N@@H+](CC(C)C)C2CCN(C)CC2)C1 ZINC000581799756 927198654 /nfs/dbraw/zinc/19/86/54/927198654.db2.gz VJWMEUKZZNNPLM-UHFFFAOYSA-N 2 1 281.444 1.659 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCC[C@@H]([NH+](C)C)C2)c1Cl ZINC001506411147 975154499 /nfs/dbraw/zinc/15/44/99/975154499.db2.gz WZXWXAXQEZLION-SECBINFHSA-N 2 1 269.780 1.551 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1 ZINC000095967157 185046168 /nfs/dbraw/zinc/04/61/68/185046168.db2.gz NPDZWCSZJGERSL-KGLIPLIRSA-N 2 1 267.417 1.319 50 0 CDAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000685939655 539045726 /nfs/dbraw/zinc/04/57/26/539045726.db2.gz NDYSVAOORRUXHO-UGUYLWEFSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000685939655 539045727 /nfs/dbraw/zinc/04/57/27/539045727.db2.gz NDYSVAOORRUXHO-UGUYLWEFSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000685939655 539045728 /nfs/dbraw/zinc/04/57/28/539045728.db2.gz NDYSVAOORRUXHO-UGUYLWEFSA-N 2 1 265.445 1.932 50 0 CDAAMP CC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000084771296 362272493 /nfs/dbraw/zinc/27/24/93/362272493.db2.gz FSNXBLAJMPHONY-HNNXBMFYSA-N 2 1 277.412 1.747 50 0 CDAAMP CCc1nccn1C[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000584896031 349357509 /nfs/dbraw/zinc/35/75/09/349357509.db2.gz LGFMOHMSYUYQEX-LBPRGKRZSA-N 2 1 261.373 1.629 50 0 CDAAMP Cn1c2ccccc2cc(C[N@@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)c1=O ZINC000097360214 358770337 /nfs/dbraw/zinc/77/03/37/358770337.db2.gz PVCHAJQKZMFBDZ-CJNGLKHVSA-N 2 1 297.402 1.722 50 0 CDAAMP Cn1c2ccccc2cc(C[N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)c1=O ZINC000097360214 358770342 /nfs/dbraw/zinc/77/03/42/358770342.db2.gz PVCHAJQKZMFBDZ-CJNGLKHVSA-N 2 1 297.402 1.722 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C1CSCCSC1)C2 ZINC000426370925 360659634 /nfs/dbraw/zinc/65/96/34/360659634.db2.gz IMCWSOOUPNDSRT-IAZYJMLFSA-N 2 1 258.456 1.504 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C1CSCCSC1)C2 ZINC000426370925 360659635 /nfs/dbraw/zinc/65/96/35/360659635.db2.gz IMCWSOOUPNDSRT-IAZYJMLFSA-N 2 1 258.456 1.504 50 0 CDAAMP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CN2 ZINC000106188013 374430326 /nfs/dbraw/zinc/43/03/26/374430326.db2.gz SAYGZKJFZCAIQD-RDBSUJKOSA-N 2 1 275.400 1.141 50 0 CDAAMP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CN2 ZINC000106188013 374430329 /nfs/dbraw/zinc/43/03/29/374430329.db2.gz SAYGZKJFZCAIQD-RDBSUJKOSA-N 2 1 275.400 1.141 50 0 CDAAMP [NH3+][C@H]1C[N@@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C1CC1 ZINC000091416835 390889776 /nfs/dbraw/zinc/88/97/76/390889776.db2.gz ACLHQWHYLNVWLP-CVEARBPZSA-N 2 1 291.439 1.447 50 0 CDAAMP [NH3+][C@H]1C[N@H+](C2CCN(C(=O)C3CCC3)CC2)C[C@@H]1C1CC1 ZINC000091416835 390889779 /nfs/dbraw/zinc/88/97/79/390889779.db2.gz ACLHQWHYLNVWLP-CVEARBPZSA-N 2 1 291.439 1.447 50 0 CDAAMP NC(=[NH2+])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000006590924 170217534 /nfs/dbraw/zinc/21/75/34/170217534.db2.gz SIHPNJPVHRGBAY-UHFFFAOYSA-N 2 1 268.364 1.851 50 0 CDAAMP C[N@H+]1CCN(C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000034754831 277104074 /nfs/dbraw/zinc/10/40/74/277104074.db2.gz XKXGVLNUARUGMT-INIZCTEOSA-N 2 1 259.397 1.727 50 0 CDAAMP CC[N@@H+](C)C1(CNC(=O)[C@H]2CC[NH+](C)C2)CCCCC1 ZINC000670450796 483016425 /nfs/dbraw/zinc/01/64/25/483016425.db2.gz DIGNDCFDRPYIDZ-AWEZNQCLSA-N 2 1 281.444 1.709 50 0 CDAAMP CC[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000670450796 483016428 /nfs/dbraw/zinc/01/64/28/483016428.db2.gz DIGNDCFDRPYIDZ-AWEZNQCLSA-N 2 1 281.444 1.709 50 0 CDAAMP CC[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000670450796 483016435 /nfs/dbraw/zinc/01/64/35/483016435.db2.gz DIGNDCFDRPYIDZ-AWEZNQCLSA-N 2 1 281.444 1.709 50 0 CDAAMP CC(C)c1[nH+]ccn1CCC[NH2+]C[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000952968505 614327988 /nfs/dbraw/zinc/32/79/88/614327988.db2.gz KFDLZRULBUPPFZ-ZSOGYDGISA-N 3 1 262.401 1.452 50 0 CDAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1nc(C)c(C)n1C ZINC000952965023 615777402 /nfs/dbraw/zinc/77/74/02/615777402.db2.gz BHZFAYACSFNHFA-UHFFFAOYSA-N 2 1 275.400 1.976 50 0 CDAAMP C[NH+]1CCC([NH2+][C@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529126968 968988992 /nfs/dbraw/zinc/98/89/92/968988992.db2.gz VKJNEVFTAILCOD-ZBFHGGJFSA-N 2 1 275.396 1.323 50 0 CDAAMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000178925540 342450461 /nfs/dbraw/zinc/45/04/61/342450461.db2.gz FPXOMUOSUWRZSU-CYBMUJFWSA-N 2 1 276.384 1.361 50 0 CDAAMP CCc1cc(N2C[C@H](CO)[C@H](C[N@@H+](C)CC)C2)nc(C)[nH+]1 ZINC000091943807 180290319 /nfs/dbraw/zinc/29/03/19/180290319.db2.gz VHOMQEILTZJXNZ-ZIAGYGMSSA-N 2 1 292.427 1.344 50 0 CDAAMP CCc1cc(N2C[C@H](CO)[C@H](C[N@H+](C)CC)C2)nc(C)[nH+]1 ZINC000091943807 180290320 /nfs/dbraw/zinc/29/03/20/180290320.db2.gz VHOMQEILTZJXNZ-ZIAGYGMSSA-N 2 1 292.427 1.344 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)CC1CC[NH+](CC)CC1 ZINC000095355464 358683985 /nfs/dbraw/zinc/68/39/85/358683985.db2.gz YKONXERXKYSIEG-UHFFFAOYSA-N 2 1 292.427 1.684 50 0 CDAAMP C[C@@H]1C[N@H+](C2CCN(C[C@@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000089941158 366973843 /nfs/dbraw/zinc/97/38/43/366973843.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1C[NH+](C2CCN(C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941158 366973852 /nfs/dbraw/zinc/97/38/52/366973852.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1C[NH+](C2CCN(C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941158 366973859 /nfs/dbraw/zinc/97/38/59/366973859.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1CN(C2CC[NH+](C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941158 366973870 /nfs/dbraw/zinc/97/38/70/366973870.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1CN(C2CC[NH+](C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941158 366973876 /nfs/dbraw/zinc/97/38/76/366973876.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 2 1 281.444 1.123 50 0 CDAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000090004524 367006420 /nfs/dbraw/zinc/00/64/20/367006420.db2.gz JUIJUXWVRMAINN-AWEZNQCLSA-N 2 1 290.411 1.297 50 0 CDAAMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000090004524 367006424 /nfs/dbraw/zinc/00/64/24/367006424.db2.gz JUIJUXWVRMAINN-AWEZNQCLSA-N 2 1 290.411 1.297 50 0 CDAAMP CC[N@H+]1CCC[C@H](CN2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000244882729 377798780 /nfs/dbraw/zinc/79/87/80/377798780.db2.gz XXLRJADSHBDTDM-HOTGVXAUSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@H](CN2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC000244882729 377798784 /nfs/dbraw/zinc/79/87/84/377798784.db2.gz XXLRJADSHBDTDM-HOTGVXAUSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@H](CN2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000244882729 377798789 /nfs/dbraw/zinc/79/87/89/377798789.db2.gz XXLRJADSHBDTDM-HOTGVXAUSA-N 2 1 265.445 1.888 50 0 CDAAMP C[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000261662664 391954108 /nfs/dbraw/zinc/95/41/08/391954108.db2.gz ABSKSSMOMWOFJJ-MGPQQGTHSA-N 2 1 267.417 1.447 50 0 CDAAMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000020129496 171018008 /nfs/dbraw/zinc/01/80/08/171018008.db2.gz HLCWUPAABSBVMO-UHFFFAOYSA-N 2 1 287.407 1.997 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000263284571 287274316 /nfs/dbraw/zinc/27/43/16/287274316.db2.gz TZLRTSGBDOAQIH-BZUAXINKSA-N 2 1 293.455 1.709 50 0 CDAAMP CC[NH+](CC)CC1(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000823076024 925666940 /nfs/dbraw/zinc/66/69/40/925666940.db2.gz KCRBTANRYZUASV-CABCVRRESA-N 2 1 293.455 1.851 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCCC(=O)N(C)C ZINC001506396085 975147566 /nfs/dbraw/zinc/14/75/66/975147566.db2.gz NBVAREZDGBLXAH-GFCCVEGCSA-N 2 1 266.389 1.292 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000089941634 539087657 /nfs/dbraw/zinc/08/76/57/539087657.db2.gz XJBXDRNIQXEHLD-LSDHHAIUSA-N 2 1 279.428 1.604 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000089941634 539087658 /nfs/dbraw/zinc/08/76/58/539087658.db2.gz XJBXDRNIQXEHLD-LSDHHAIUSA-N 2 1 279.428 1.604 50 0 CDAAMP CC[C@@H](CNc1nc(N)[nH+]c(C)c1C)[N@@H+](C)CC ZINC000091551310 180189104 /nfs/dbraw/zinc/18/91/04/180189104.db2.gz NSFWOMHZPJMLMJ-NSHDSACASA-N 2 1 251.378 1.818 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCCC[N@@H+]1CCCC[C@H]1CO ZINC000091819435 180263714 /nfs/dbraw/zinc/26/37/14/180263714.db2.gz JPGQFGPCNBGDHS-ZDUSSCGKSA-N 2 1 293.415 1.270 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCCC[N@H+]1CCCC[C@H]1CO ZINC000091819435 180263715 /nfs/dbraw/zinc/26/37/15/180263715.db2.gz JPGQFGPCNBGDHS-ZDUSSCGKSA-N 2 1 293.415 1.270 50 0 CDAAMP CN(C)CC(=O)Nc1c2c([nH+]c3c1CCCC3)CCC2 ZINC000004003475 356014833 /nfs/dbraw/zinc/01/48/33/356014833.db2.gz SSJNGRWRVAYFMH-UHFFFAOYSA-N 2 1 273.380 1.949 50 0 CDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000757100 356813261 /nfs/dbraw/zinc/81/32/61/356813261.db2.gz BFHADDFHSMDVKN-GFCCVEGCSA-N 2 1 253.390 1.058 50 0 CDAAMP Cc1c[nH+]c(NCC(C)(C)C[NH+](C)C)nc1N(C)C ZINC000065373367 357532753 /nfs/dbraw/zinc/53/27/53/357532753.db2.gz BMDQBNVOFVIRRT-UHFFFAOYSA-N 2 1 265.405 1.851 50 0 CDAAMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560651 /nfs/dbraw/zinc/56/06/51/358560651.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560656 /nfs/dbraw/zinc/56/06/56/358560656.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560661 /nfs/dbraw/zinc/56/06/61/358560661.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548293 358560663 /nfs/dbraw/zinc/56/06/63/358560663.db2.gz KQLCPLWCBAMGBO-SWLSCSKDSA-N 2 1 293.411 1.963 50 0 CDAAMP OCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000247764694 358762837 /nfs/dbraw/zinc/76/28/37/358762837.db2.gz JUEBTNNNOCUEPL-KFWWJZLASA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000247764694 358762841 /nfs/dbraw/zinc/76/28/41/358762841.db2.gz JUEBTNNNOCUEPL-KFWWJZLASA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000247764694 358762843 /nfs/dbraw/zinc/76/28/43/358762843.db2.gz JUEBTNNNOCUEPL-KFWWJZLASA-N 2 1 252.402 1.565 50 0 CDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072424810 359933984 /nfs/dbraw/zinc/93/39/84/359933984.db2.gz ZUSOBWDRWSNNAU-NWDGAFQWSA-N 2 1 264.373 1.079 50 0 CDAAMP CC(C)n1c2ccc(N)cc2[nH+]c1N1CC[NH2+]CC1 ZINC000075951607 366934798 /nfs/dbraw/zinc/93/47/98/366934798.db2.gz OPYAKCHHVJSUGI-UHFFFAOYSA-N 2 1 259.357 1.609 50 0 CDAAMP CCNC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000095458276 374956001 /nfs/dbraw/zinc/95/60/01/374956001.db2.gz FBKSUPOLWAHOFA-UHFFFAOYSA-N 2 1 295.471 1.957 50 0 CDAAMP O=C(NC[C@@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000097229971 375157002 /nfs/dbraw/zinc/15/70/02/375157002.db2.gz DUXYZAIHGIUZEG-ZFWWWQNUSA-N 2 1 279.428 1.509 50 0 CDAAMP CCCC[C@H]1C(=O)N(C)CC[N@@H+]1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659792 376033697 /nfs/dbraw/zinc/03/36/97/376033697.db2.gz HIRWQPVJWSGVEY-ZNMIVQPWSA-N 2 1 281.444 1.837 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH2+]C)[C@H](C)C1 ZINC000299738737 285391334 /nfs/dbraw/zinc/39/13/34/285391334.db2.gz FSKGAAAPBIAASQ-XQQFMLRXSA-N 2 1 255.406 1.031 50 0 CDAAMP COCC[N@H+](Cc1ccc(C)s1)C[C@@]1(O)CC[NH2+]C1 ZINC000077407621 390810323 /nfs/dbraw/zinc/81/03/23/390810323.db2.gz GPNVOLGOMSEJJI-CQSZACIVSA-N 2 1 284.425 1.229 50 0 CDAAMP COCC[N@@H+](Cc1ccc(C)s1)C[C@@]1(O)CC[NH2+]C1 ZINC000077407621 390810325 /nfs/dbraw/zinc/81/03/25/390810325.db2.gz GPNVOLGOMSEJJI-CQSZACIVSA-N 2 1 284.425 1.229 50 0 CDAAMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000178980442 140011223 /nfs/dbraw/zinc/01/12/23/140011223.db2.gz BORKZAYWQYYTFJ-CQSZACIVSA-N 2 1 289.427 1.403 50 0 CDAAMP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]c2ccccc12 ZINC000068806320 277103262 /nfs/dbraw/zinc/10/32/62/277103262.db2.gz UJAGGMFMHAYPFX-CYBMUJFWSA-N 2 1 270.380 1.893 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067982054 833310077 /nfs/dbraw/zinc/31/00/77/833310077.db2.gz LIIGSTKTQLUFEX-LBPRGKRZSA-N 2 1 269.352 1.319 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000067982054 833310080 /nfs/dbraw/zinc/31/00/80/833310080.db2.gz LIIGSTKTQLUFEX-LBPRGKRZSA-N 2 1 269.352 1.319 50 0 CDAAMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000381295099 830684643 /nfs/dbraw/zinc/68/46/43/830684643.db2.gz KZHBSTWDZQNFBX-FRRDWIJNSA-N 2 1 288.313 1.584 50 0 CDAAMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000381295099 830684668 /nfs/dbraw/zinc/68/46/68/830684668.db2.gz KZHBSTWDZQNFBX-FRRDWIJNSA-N 2 1 288.313 1.584 50 0 CDAAMP Cc1nc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cs1 ZINC000072128069 832812579 /nfs/dbraw/zinc/81/25/79/832812579.db2.gz CNSAJHZRHXMHPQ-AWEZNQCLSA-N 2 1 283.441 1.730 50 0 CDAAMP Cc1nc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cs1 ZINC000072128069 832812580 /nfs/dbraw/zinc/81/25/80/832812580.db2.gz CNSAJHZRHXMHPQ-AWEZNQCLSA-N 2 1 283.441 1.730 50 0 CDAAMP CC[N@H+]1CCC[C@@](C)(C[NH+]2CCC[C@@H](CO)C2)C1 ZINC000020539774 834060752 /nfs/dbraw/zinc/06/07/52/834060752.db2.gz XJCQVGGYQAVAFX-HUUCEWRRSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@@](C)(C[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539774 834060765 /nfs/dbraw/zinc/06/07/65/834060765.db2.gz XJCQVGGYQAVAFX-HUUCEWRRSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@@](C)(C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539774 834060775 /nfs/dbraw/zinc/06/07/75/834060775.db2.gz XJCQVGGYQAVAFX-HUUCEWRRSA-N 2 1 254.418 1.813 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000243957107 937588815 /nfs/dbraw/zinc/58/88/15/937588815.db2.gz CFUJSFQODVUYIW-ZDUSSCGKSA-N 2 1 273.384 1.935 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000243957107 937588818 /nfs/dbraw/zinc/58/88/18/937588818.db2.gz CFUJSFQODVUYIW-ZDUSSCGKSA-N 2 1 273.384 1.935 50 0 CDAAMP CC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000252486839 398216833 /nfs/dbraw/zinc/21/68/33/398216833.db2.gz HPGYJNZMMIOOGC-KRWDZBQOSA-N 2 1 291.439 1.791 50 0 CDAAMP CC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000252486839 398216836 /nfs/dbraw/zinc/21/68/36/398216836.db2.gz HPGYJNZMMIOOGC-KRWDZBQOSA-N 2 1 291.439 1.791 50 0 CDAAMP C[C@H](C(=O)N1CCCC1)[N@H+](C)CCCc1[nH+]ccn1C ZINC000244858688 361866441 /nfs/dbraw/zinc/86/64/41/361866441.db2.gz VQJWZODYRRLCSV-CYBMUJFWSA-N 2 1 278.400 1.295 50 0 CDAAMP C[C@H](C(=O)N1CCCC1)[N@@H+](C)CCCc1[nH+]ccn1C ZINC000244858688 361866442 /nfs/dbraw/zinc/86/64/42/361866442.db2.gz VQJWZODYRRLCSV-CYBMUJFWSA-N 2 1 278.400 1.295 50 0 CDAAMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000685939632 539045778 /nfs/dbraw/zinc/04/57/78/539045778.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 2 1 293.455 1.659 50 0 CDAAMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000685939632 539045779 /nfs/dbraw/zinc/04/57/79/539045779.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 2 1 293.455 1.659 50 0 CDAAMP CC(C)C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000685939632 539045780 /nfs/dbraw/zinc/04/57/80/539045780.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 2 1 293.455 1.659 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000084290895 362262363 /nfs/dbraw/zinc/26/23/63/362262363.db2.gz OUOANNBKQBKLME-ZDUSSCGKSA-N 2 1 264.373 1.134 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000084290895 362262369 /nfs/dbraw/zinc/26/23/69/362262369.db2.gz OUOANNBKQBKLME-ZDUSSCGKSA-N 2 1 264.373 1.134 50 0 CDAAMP CCc1cc(N2CC[NH+](C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000065381774 357534711 /nfs/dbraw/zinc/53/47/11/357534711.db2.gz ZCZYQYBDZMKFOQ-UHFFFAOYSA-N 2 1 277.416 1.635 50 0 CDAAMP Cc1ccc[nH+]c1N1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000071771597 357780266 /nfs/dbraw/zinc/78/02/66/357780266.db2.gz IXBNYLMBVLUXDT-CQSZACIVSA-N 2 1 290.411 1.412 50 0 CDAAMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072431994 357834585 /nfs/dbraw/zinc/83/45/85/357834585.db2.gz GSYOTJISODSXCB-DZGCQCFKSA-N 2 1 298.390 1.924 50 0 CDAAMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000215075005 358873772 /nfs/dbraw/zinc/87/37/72/358873772.db2.gz CPVYGNODEQXLCN-CYBMUJFWSA-N 2 1 250.390 1.943 50 0 CDAAMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000215075005 358873776 /nfs/dbraw/zinc/87/37/76/358873776.db2.gz CPVYGNODEQXLCN-CYBMUJFWSA-N 2 1 250.390 1.943 50 0 CDAAMP C[NH+]1CCC2(CC[N@@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC000639757353 364780209 /nfs/dbraw/zinc/78/02/09/364780209.db2.gz GUXNZELQYHQUIC-AWEZNQCLSA-N 2 1 252.402 1.973 50 0 CDAAMP C[C@@H]1C[C@H](NC(=O)CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000200644398 364918678 /nfs/dbraw/zinc/91/86/78/364918678.db2.gz OYLLMQUUEAKRES-OCCSQVGLSA-N 2 1 261.369 1.114 50 0 CDAAMP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(F)c1 ZINC000248044769 377194145 /nfs/dbraw/zinc/19/41/45/377194145.db2.gz WCHIWQZNLMFAQJ-QLFBSQMISA-N 2 1 293.386 1.815 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1ccccc1Cl ZINC000022034195 171350315 /nfs/dbraw/zinc/35/03/15/171350315.db2.gz CEZKXZPAPCQFGW-UHFFFAOYSA-N 2 1 258.749 1.284 50 0 CDAAMP O=C([C@H]1C=CC[NH2+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000534641512 328336382 /nfs/dbraw/zinc/33/63/82/328336382.db2.gz GLAJLHBTXSWEOO-CQSZACIVSA-N 2 1 291.420 1.310 50 0 CDAAMP O=C([C@H]1C=CC[NH2+]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000534641512 328336383 /nfs/dbraw/zinc/33/63/83/328336383.db2.gz GLAJLHBTXSWEOO-CQSZACIVSA-N 2 1 291.420 1.310 50 0 CDAAMP CSc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)cc(N)[nH+]1 ZINC000156843325 1178194560 /nfs/dbraw/zinc/19/45/60/1178194560.db2.gz ICAUVDLFUMYZOA-VIFPVBQESA-N 2 1 267.402 1.311 50 0 CDAAMP CSc1nc(N(C)C[C@@H]2CCC[N@H+]2C)cc(N)[nH+]1 ZINC000156843325 1178194563 /nfs/dbraw/zinc/19/45/63/1178194563.db2.gz ICAUVDLFUMYZOA-VIFPVBQESA-N 2 1 267.402 1.311 50 0 CDAAMP O[C@]1(C[N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]C1 ZINC000072437943 840037490 /nfs/dbraw/zinc/03/74/90/840037490.db2.gz QHPVLAKIWBTSOF-QGZVFWFLSA-N 2 1 289.423 1.941 50 0 CDAAMP c1ncc(C[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000952960214 910469394 /nfs/dbraw/zinc/46/93/94/910469394.db2.gz LZKYBDXUGRBJJQ-LSDHHAIUSA-N 2 1 260.385 1.831 50 0 CDAAMP C[C@@H](CN1CC[NH+](C)CC1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000821746002 925595759 /nfs/dbraw/zinc/59/57/59/925595759.db2.gz GBVFYVYSWHFHSF-AWEZNQCLSA-N 2 1 291.443 1.225 50 0 CDAAMP CC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](CCO)CC1 ZINC000581814676 927207637 /nfs/dbraw/zinc/20/76/37/927207637.db2.gz WTQRAYNDLYINDR-OAHLLOKOSA-N 2 1 292.427 1.354 50 0 CDAAMP CC[N@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](CCO)CC1 ZINC000581814676 927207645 /nfs/dbraw/zinc/20/76/45/927207645.db2.gz WTQRAYNDLYINDR-OAHLLOKOSA-N 2 1 292.427 1.354 50 0 CDAAMP Cc1ncccc1C[N@H+](C)C[C@H]1CCCN(CCO)C1 ZINC001529191360 969009899 /nfs/dbraw/zinc/00/98/99/969009899.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 1 277.412 1.526 50 0 CDAAMP Cc1ncccc1C[N@@H+](C)C[C@H]1CCCN(CCO)C1 ZINC001529191360 969009906 /nfs/dbraw/zinc/00/99/06/969009906.db2.gz XJAYMIQEUXRRMP-OAHLLOKOSA-N 2 1 277.412 1.526 50 0 CDAAMP O=C(C[NH+]1CCCC1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000584901553 355956678 /nfs/dbraw/zinc/95/66/78/355956678.db2.gz IGHNYWGOLSYNOK-UHFFFAOYSA-N 2 1 293.455 1.949 50 0 CDAAMP C[C@@H](CCn1cccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426661968 360694627 /nfs/dbraw/zinc/69/46/27/360694627.db2.gz GKWRWPLZIIZCOX-AWEZNQCLSA-N 2 1 262.401 1.737 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037672 375139149 /nfs/dbraw/zinc/13/91/49/375139149.db2.gz QSJBCARSVWVSQO-NFAWXSAZSA-N 2 1 279.432 1.585 50 0 CDAAMP C[NH+]1CCC([NH2+][C@H]2CC(=O)N(C3CCCCCC3)C2)CC1 ZINC000012704188 376478686 /nfs/dbraw/zinc/47/86/86/376478686.db2.gz OGMSHHZXRPJFSN-HNNXBMFYSA-N 2 1 293.455 1.994 50 0 CDAAMP CCOC(=O)[C@H]1CC2(CC[NH+](C)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987429 390214390 /nfs/dbraw/zinc/21/43/90/390214390.db2.gz IQJCIKOQCJLDKT-STQMWFEESA-N 2 1 266.385 1.498 50 0 CDAAMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856022 140399496 /nfs/dbraw/zinc/39/94/96/140399496.db2.gz XEGNLKHGZQVCOH-VHDGCEQUSA-N 2 1 273.380 1.684 50 0 CDAAMP CC[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+]1C(C)C ZINC000244796030 1159707943 /nfs/dbraw/zinc/70/79/43/1159707943.db2.gz RRSHDOSXWAJZGY-OAHLLOKOSA-N 2 1 264.417 1.996 50 0 CDAAMP CC[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@H+]1C(C)C ZINC000244796030 1159707947 /nfs/dbraw/zinc/70/79/47/1159707947.db2.gz RRSHDOSXWAJZGY-OAHLLOKOSA-N 2 1 264.417 1.996 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCCn1ccccc1=O ZINC000670455473 483032319 /nfs/dbraw/zinc/03/23/19/483032319.db2.gz TZDIYDAAZCOEHC-CQSZACIVSA-N 2 1 288.395 1.676 50 0 CDAAMP Cc1cnc(C[N@H+](C)CCCC[NH+]2CCOCC2)cn1 ZINC001506408245 975153364 /nfs/dbraw/zinc/15/33/64/975153364.db2.gz CSMLNMJBFUPKMC-UHFFFAOYSA-N 2 1 278.400 1.329 50 0 CDAAMP Cc1cnc(C[N@@H+](C)CCCC[NH+]2CCOCC2)cn1 ZINC001506408245 975153366 /nfs/dbraw/zinc/15/33/66/975153366.db2.gz CSMLNMJBFUPKMC-UHFFFAOYSA-N 2 1 278.400 1.329 50 0 CDAAMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021991 185153337 /nfs/dbraw/zinc/15/33/37/185153337.db2.gz IINJXOIZFRSOGL-YPMHNXCESA-N 2 1 262.353 1.627 50 0 CDAAMP COc1ccccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091745330 180244302 /nfs/dbraw/zinc/24/43/02/180244302.db2.gz KHNWJXZVBYPHFS-HUUCEWRRSA-N 2 1 278.396 1.297 50 0 CDAAMP COc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091745330 180244303 /nfs/dbraw/zinc/24/43/03/180244303.db2.gz KHNWJXZVBYPHFS-HUUCEWRRSA-N 2 1 278.396 1.297 50 0 CDAAMP Nc1cc[nH+]c(N2CCC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000096163593 358712369 /nfs/dbraw/zinc/71/23/69/358712369.db2.gz FWSQLYGTTBMKCU-ZDUSSCGKSA-N 2 1 275.400 1.761 50 0 CDAAMP CC[N@@H+]1CCc2nnc([C@@H]3CC[NH+](CC(C)C)C3)n2CC1 ZINC000257189245 359533095 /nfs/dbraw/zinc/53/30/95/359533095.db2.gz HXXBXHLAHRNZLY-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CCc2nnc([C@@H]3CC[N@H+](CC(C)C)C3)n2CC1 ZINC000257189245 359533098 /nfs/dbraw/zinc/53/30/98/359533098.db2.gz HXXBXHLAHRNZLY-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CCc2nnc([C@@H]3CC[N@@H+](CC(C)C)C3)n2CC1 ZINC000257189245 359533101 /nfs/dbraw/zinc/53/31/01/359533101.db2.gz HXXBXHLAHRNZLY-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP C[C@H](CNC(=O)NC1CC[NH+](C2CC2)CC1)[N@@H+](C)C1CC1 ZINC000095351212 374887716 /nfs/dbraw/zinc/88/77/16/374887716.db2.gz OSQJQCFMHFHPBR-GFCCVEGCSA-N 2 1 294.443 1.395 50 0 CDAAMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738946 375199995 /nfs/dbraw/zinc/19/99/95/375199995.db2.gz ISYQZVAYSSWJKE-CHWSQXEVSA-N 2 1 253.390 1.058 50 0 CDAAMP Cc1cccc(NC[C@@H](c2cnn(C)c2)N(C)C)n1 ZINC000097096644 567904312 /nfs/dbraw/zinc/90/43/12/567904312.db2.gz GIKQKFFUSJKIOT-ZDUSSCGKSA-N 2 1 259.357 1.838 50 0 CDAAMP Cc1n[nH]c(C)c1CC[NH2+][C@@H](C)Cn1cc[nH+]c1C ZINC000821495619 925587754 /nfs/dbraw/zinc/58/77/54/925587754.db2.gz OTMSUZDXUBZLGS-JTQLQIEISA-N 2 1 261.373 1.752 50 0 CDAAMP CN1CCC[N@@H+](CC[C@H]2CCOC2)CC12CC[NH2+]CC2 ZINC000823778380 925729454 /nfs/dbraw/zinc/72/94/54/925729454.db2.gz RNGBLNUHOIJFKA-HNNXBMFYSA-N 2 1 281.444 1.173 50 0 CDAAMP CN(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000095960971 185043372 /nfs/dbraw/zinc/04/33/72/185043372.db2.gz CCVUINKXRBNBAB-GFCCVEGCSA-N 2 1 263.389 1.321 50 0 CDAAMP CN(C)c1nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000095960971 185043373 /nfs/dbraw/zinc/04/33/73/185043373.db2.gz CCVUINKXRBNBAB-GFCCVEGCSA-N 2 1 263.389 1.321 50 0 CDAAMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000252586182 361863929 /nfs/dbraw/zinc/86/39/29/361863929.db2.gz OAGBLHRSQXVBCI-BBWFWOEESA-N 2 1 276.424 1.910 50 0 CDAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000584894811 349355134 /nfs/dbraw/zinc/35/51/34/349355134.db2.gz NGVJASAYYMYSSM-GJZGRUSLSA-N 2 1 297.487 1.993 50 0 CDAAMP O=C(CN1CCCC1)N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000584898300 349359854 /nfs/dbraw/zinc/35/98/54/349359854.db2.gz DBIZULLNNSXRHI-INIZCTEOSA-N 2 1 298.390 1.836 50 0 CDAAMP CCC[C@H]1CN(C(=O)CCn2cc[nH+]c2CC)C[C@@H]1[NH3+] ZINC000091380930 180144116 /nfs/dbraw/zinc/14/41/16/180144116.db2.gz DAHWPHUKJYHEPP-STQMWFEESA-N 2 1 278.400 1.421 50 0 CDAAMP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CC)CC2)C1 ZINC000000221285 355897405 /nfs/dbraw/zinc/89/74/05/355897405.db2.gz PUIJDEPPTRRDJD-ZDUSSCGKSA-N 2 1 268.401 1.746 50 0 CDAAMP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CC)CC2)C1 ZINC000000221285 355897406 /nfs/dbraw/zinc/89/74/06/355897406.db2.gz PUIJDEPPTRRDJD-ZDUSSCGKSA-N 2 1 268.401 1.746 50 0 CDAAMP Cc1ccc(OCCOCC[NH2+]CC[NH3+])cc1C ZINC000019772573 356500778 /nfs/dbraw/zinc/50/07/78/356500778.db2.gz GCEFUYDRUZRNJG-UHFFFAOYSA-N 2 1 252.358 1.247 50 0 CDAAMP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000426534413 360681007 /nfs/dbraw/zinc/68/10/07/360681007.db2.gz GVJCCNJHCZZCPZ-SECBINFHSA-N 2 1 274.290 1.584 50 0 CDAAMP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000426534413 360681011 /nfs/dbraw/zinc/68/10/11/360681011.db2.gz GVJCCNJHCZZCPZ-SECBINFHSA-N 2 1 274.290 1.584 50 0 CDAAMP CCSC[C@H](C)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383117 360661516 /nfs/dbraw/zinc/66/15/16/360661516.db2.gz JZIYASHCHALCTD-AWEZNQCLSA-N 2 1 285.501 1.888 50 0 CDAAMP Cc1cccc(N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)n1 ZINC000108478932 412831160 /nfs/dbraw/zinc/83/11/60/412831160.db2.gz ZCNNQUNJOGHLHP-GJZGRUSLSA-N 2 1 275.396 1.816 50 0 CDAAMP Cc1ccc([C@@H](C(=O)NCCCCC[NH3+])[NH+](C)C)cc1 ZINC000091270619 292190177 /nfs/dbraw/zinc/19/01/77/292190177.db2.gz RDIOWRWGJYQFRB-HNNXBMFYSA-N 2 1 277.412 1.843 50 0 CDAAMP C[NH+]1CCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000072169875 176332547 /nfs/dbraw/zinc/33/25/47/176332547.db2.gz WJVLKEXSZCUMEN-ZDUSSCGKSA-N 2 1 273.380 1.151 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710804 1159444927 /nfs/dbraw/zinc/44/49/27/1159444927.db2.gz WRMMOBREASERSA-BBRMVZONSA-N 2 1 294.370 1.108 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710804 1159444930 /nfs/dbraw/zinc/44/49/30/1159444930.db2.gz WRMMOBREASERSA-BBRMVZONSA-N 2 1 294.370 1.108 50 0 CDAAMP C[N@H+]1CCC2(C1)CC[NH+](CCCn1cccn1)CC2 ZINC000670449562 483005674 /nfs/dbraw/zinc/00/56/74/483005674.db2.gz DUIZHQHTESQXOL-UHFFFAOYSA-N 2 1 262.401 1.691 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000952977584 615777366 /nfs/dbraw/zinc/77/73/66/615777366.db2.gz IXGZGNVQJFBHCM-CYBMUJFWSA-N 2 1 278.400 1.436 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCCCC[N@H+]1C ZINC000952977584 615777367 /nfs/dbraw/zinc/77/73/67/615777367.db2.gz IXGZGNVQJFBHCM-CYBMUJFWSA-N 2 1 278.400 1.436 50 0 CDAAMP CCC[N@@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC001506402529 975150595 /nfs/dbraw/zinc/15/05/95/975150595.db2.gz OERHREBUPHCTKC-UHFFFAOYSA-N 2 1 250.390 1.380 50 0 CDAAMP CCC[N@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC001506402529 975150597 /nfs/dbraw/zinc/15/05/97/975150597.db2.gz OERHREBUPHCTKC-UHFFFAOYSA-N 2 1 250.390 1.380 50 0 CDAAMP C[N@@H+]1CCCC2(CCN(c3nc(N)cc[nH+]3)CC2)CC1 ZINC001506426758 975161051 /nfs/dbraw/zinc/16/10/51/975161051.db2.gz KGBOXHYOOSRNOT-UHFFFAOYSA-N 2 1 275.400 1.761 50 0 CDAAMP C[N@H+]1CCCC2(CCN(c3nc(N)cc[nH+]3)CC2)CC1 ZINC001506426758 975161053 /nfs/dbraw/zinc/16/10/53/975161053.db2.gz KGBOXHYOOSRNOT-UHFFFAOYSA-N 2 1 275.400 1.761 50 0 CDAAMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484361 230381035 /nfs/dbraw/zinc/38/10/35/230381035.db2.gz CTUMWRFFXBTOBG-YESZJQIVSA-N 2 1 274.408 1.979 50 0 CDAAMP Cc1ccnn1CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000244795164 361863565 /nfs/dbraw/zinc/86/35/65/361863565.db2.gz RATBPGJHDNHATC-AWEZNQCLSA-N 2 1 250.390 1.608 50 0 CDAAMP CC[C@H](C(=O)NC1CCCC1)[N@H+](C)CCn1cc[nH+]c1C ZINC000252480291 362383551 /nfs/dbraw/zinc/38/35/51/362383551.db2.gz BZLOAXZVZZBZLD-OAHLLOKOSA-N 2 1 292.427 1.961 50 0 CDAAMP CC[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000252480291 362383558 /nfs/dbraw/zinc/38/35/58/362383558.db2.gz BZLOAXZVZZBZLD-OAHLLOKOSA-N 2 1 292.427 1.961 50 0 CDAAMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000192753357 362698587 /nfs/dbraw/zinc/69/85/87/362698587.db2.gz DIEPXTVZOYWYCS-ZBFHGGJFSA-N 2 1 292.427 1.377 50 0 CDAAMP [NH3+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000195119586 358551957 /nfs/dbraw/zinc/55/19/57/358551957.db2.gz CJZQUHVFHBWUHT-JKSUJKDBSA-N 2 1 287.407 1.601 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261709173 359550738 /nfs/dbraw/zinc/55/07/38/359550738.db2.gz MHHISMLNTUUUNR-OWCLPIDISA-N 2 1 293.455 1.851 50 0 CDAAMP OC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299759303 372747213 /nfs/dbraw/zinc/74/72/13/372747213.db2.gz QBFZMPQMOFPJJO-OAHLLOKOSA-N 2 1 276.380 1.515 50 0 CDAAMP COC[C@H]1CCC[N@H+]1C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000063856003 390528477 /nfs/dbraw/zinc/52/84/77/390528477.db2.gz DSBFWMPIRBFPBS-BZUAXINKSA-N 2 1 282.428 1.477 50 0 CDAAMP COC[C@H]1CCC[NH+]1C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063856003 390528479 /nfs/dbraw/zinc/52/84/79/390528479.db2.gz DSBFWMPIRBFPBS-BZUAXINKSA-N 2 1 282.428 1.477 50 0 CDAAMP COC[C@H]1CCC[NH+]1C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063856003 390528482 /nfs/dbraw/zinc/52/84/82/390528482.db2.gz DSBFWMPIRBFPBS-BZUAXINKSA-N 2 1 282.428 1.477 50 0 CDAAMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388931235 397809029 /nfs/dbraw/zinc/80/90/29/397809029.db2.gz QNBXZNXFHBQBFT-MJBXVCDLSA-N 2 1 258.406 1.092 50 0 CDAAMP Cc1[nH+]ccn1CCC1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000072410643 176398455 /nfs/dbraw/zinc/39/84/55/176398455.db2.gz IUFLSLKMBWXXJI-MRXNPFEDSA-N 3 1 292.427 1.018 50 0 CDAAMP O[C@@]1(C[NH2+]Cc2csc3c2CCCC3)C[NH2+]CCOC1 ZINC000077389432 177262161 /nfs/dbraw/zinc/26/21/61/177262161.db2.gz NSXSEIHMZPFXAH-OAHLLOKOSA-N 2 1 296.436 1.067 50 0 CDAAMP CC[N@H+]1CCC[C@@H](N2CC[NH+](C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292974 /nfs/dbraw/zinc/29/29/74/279292974.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@@H](N2CC[N@H+](C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292975 /nfs/dbraw/zinc/29/29/75/279292975.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@@H](N2CC[N@@H+](C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292976 /nfs/dbraw/zinc/29/29/76/279292976.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 2 1 253.434 1.885 50 0 CDAAMP Cc1[nH+]c(N)nc(NCC[C@@H]2CCC[N@@H+](C)C2)c1Cl ZINC000534662464 328350400 /nfs/dbraw/zinc/35/04/00/328350400.db2.gz QSTHTJYRDWASPO-JTQLQIEISA-N 2 1 283.807 1.417 50 0 CDAAMP Cc1[nH+]c(N)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1Cl ZINC000534662464 328350402 /nfs/dbraw/zinc/35/04/02/328350402.db2.gz QSTHTJYRDWASPO-JTQLQIEISA-N 2 1 283.807 1.417 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC001772707453 1159441657 /nfs/dbraw/zinc/44/16/57/1159441657.db2.gz SXFYLWIQYRJDBJ-CVEARBPZSA-N 2 1 266.429 1.861 50 0 CDAAMP CC[C@@H]1CN(c2nnc(C(C)(C)[NH3+])o2)CC[N@H+]1C(C)C ZINC001772707137 1159441673 /nfs/dbraw/zinc/44/16/73/1159441673.db2.gz WLDXUYWVEUCIPL-LLVKDONJSA-N 2 1 281.404 1.572 50 0 CDAAMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757213059 577036404 /nfs/dbraw/zinc/03/64/04/577036404.db2.gz NNGYGHVINMQSEQ-UVOCVTCTSA-N 2 1 265.323 1.242 50 0 CDAAMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000952978295 616244355 /nfs/dbraw/zinc/24/43/55/616244355.db2.gz KVQXZAMDSFLPFI-OAHLLOKOSA-N 2 1 277.412 1.739 50 0 CDAAMP C[C@@H]1C[C@H]([N@H+]2CC[C@H](CNc3ccccn3)C2)C(=O)O1 ZINC000097200651 342217064 /nfs/dbraw/zinc/21/70/64/342217064.db2.gz QBQYGQJINRHXCR-UPJWGTAASA-N 2 1 275.352 1.519 50 0 CDAAMP O[C@@]1(CNCC[NH+]2CCCC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855381 357517495 /nfs/dbraw/zinc/51/74/95/357517495.db2.gz GWRBBTPHNHAQLV-HZPDHXFCSA-N 2 1 281.444 1.051 50 0 CDAAMP CCCC[NH2+]Cc1cccn1CC[NH+]1CCOCC1 ZINC000004681533 357742206 /nfs/dbraw/zinc/74/22/06/357742206.db2.gz XWOUMYAUPMCTLT-UHFFFAOYSA-N 2 1 265.401 1.710 50 0 CDAAMP C[NH2+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000072468147 357837068 /nfs/dbraw/zinc/83/70/68/357837068.db2.gz SGDFCEGSIAIUFL-AWEZNQCLSA-N 2 1 295.814 1.640 50 0 CDAAMP CSc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH2+]C2)c1 ZINC000072468365 357838205 /nfs/dbraw/zinc/83/82/05/357838205.db2.gz MUHFCTSYFSFNMG-CQSZACIVSA-N 2 1 266.410 1.565 50 0 CDAAMP CSc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH2+]C2)c1 ZINC000072468365 357838207 /nfs/dbraw/zinc/83/82/07/357838207.db2.gz MUHFCTSYFSFNMG-CQSZACIVSA-N 2 1 266.410 1.565 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCC[C@@H](C)[N@@H+](C)CC ZINC000095355664 358683752 /nfs/dbraw/zinc/68/37/52/358683752.db2.gz JFDWDDSUVPEWMO-SNVBAGLBSA-N 2 1 251.378 1.763 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCC[C@@H](C)[N@H+](C)CC ZINC000095355664 358683757 /nfs/dbraw/zinc/68/37/57/358683757.db2.gz JFDWDDSUVPEWMO-SNVBAGLBSA-N 2 1 251.378 1.763 50 0 CDAAMP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cncn2C)CC1 ZINC000215059550 358871921 /nfs/dbraw/zinc/87/19/21/358871921.db2.gz RNWZKWCLEICPGA-UHFFFAOYSA-N 2 1 285.395 1.836 50 0 CDAAMP C[N@H+]1CCN2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2C1 ZINC000215680919 358899434 /nfs/dbraw/zinc/89/94/34/358899434.db2.gz IGKFSSCAKVZJFG-YATRRXNKSA-N 2 1 289.398 1.771 50 0 CDAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000037644343 359438451 /nfs/dbraw/zinc/43/84/51/359438451.db2.gz BMXJMUROMUIYQF-CYBMUJFWSA-N 2 1 276.380 1.889 50 0 CDAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000037644343 359438456 /nfs/dbraw/zinc/43/84/56/359438456.db2.gz BMXJMUROMUIYQF-CYBMUJFWSA-N 2 1 276.380 1.889 50 0 CDAAMP Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000426534414 360681367 /nfs/dbraw/zinc/68/13/67/360681367.db2.gz GVJCCNJHCZZCPZ-VIFPVBQESA-N 2 1 274.290 1.584 50 0 CDAAMP Cc1nc(C(F)(F)F)ncc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000426534414 360681374 /nfs/dbraw/zinc/68/13/74/360681374.db2.gz GVJCCNJHCZZCPZ-VIFPVBQESA-N 2 1 274.290 1.584 50 0 CDAAMP C[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)[NH+](C)C1CC1 ZINC000089900973 366962190 /nfs/dbraw/zinc/96/21/90/366962190.db2.gz RLNHVMIYFVIJAV-VXGBXAGGSA-N 2 1 282.432 1.251 50 0 CDAAMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000299750901 375208727 /nfs/dbraw/zinc/20/87/27/375208727.db2.gz ORQWIPGFNICWQT-VHDGCEQUSA-N 2 1 275.396 1.628 50 0 CDAAMP Cc1cc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000072146125 291936891 /nfs/dbraw/zinc/93/68/91/291936891.db2.gz AOAGKSJTTSTKTD-HNNXBMFYSA-N 3 1 274.412 1.430 50 0 CDAAMP CCCn1ccnc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072144887 176325108 /nfs/dbraw/zinc/32/51/08/176325108.db2.gz XWRIMQIRYIMFAM-MRXNPFEDSA-N 2 1 294.443 1.572 50 0 CDAAMP CCCn1ccnc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)CC1 ZINC000072144887 176325109 /nfs/dbraw/zinc/32/51/09/176325109.db2.gz XWRIMQIRYIMFAM-MRXNPFEDSA-N 2 1 294.443 1.572 50 0 CDAAMP [NH3+]C[C@@]12CCC[C@@H](C[N@@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000100427216 295261061 /nfs/dbraw/zinc/26/10/61/295261061.db2.gz QLVGVVNOORRUNH-JYJNAYRXSA-N 2 1 260.381 1.608 50 0 CDAAMP CCC[NH+]1CCC(CCNc2nnc(C[NH2+]C)o2)CC1 ZINC001772707574 1159442669 /nfs/dbraw/zinc/44/26/69/1159442669.db2.gz WBLGFRKUXBZQSV-UHFFFAOYSA-N 2 1 281.404 1.713 50 0 CDAAMP Cc1nc2c([nH]1)C[N@H+](Cc1cnc(N(C)C)nc1)CC2 ZINC000670437244 482976917 /nfs/dbraw/zinc/97/69/17/482976917.db2.gz SJSXHYSQJWVNSQ-UHFFFAOYSA-N 2 1 272.356 1.132 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=CCCCC2)C[C@H]1O ZINC000670462594 483050881 /nfs/dbraw/zinc/05/08/81/483050881.db2.gz FBSVUFZETMKRAB-LSDHHAIUSA-N 2 1 252.402 1.731 50 0 CDAAMP COc1c(F)cccc1CNCCC[N@H+]1CCC[C@@H](O)C1 ZINC000952971004 617147121 /nfs/dbraw/zinc/14/71/21/617147121.db2.gz WQTXWKPSXZXBEO-CQSZACIVSA-N 2 1 296.386 1.771 50 0 CDAAMP COc1c(F)cccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](O)C1 ZINC000952971004 617147123 /nfs/dbraw/zinc/14/71/23/617147123.db2.gz WQTXWKPSXZXBEO-CQSZACIVSA-N 2 1 296.386 1.771 50 0 CDAAMP COc1c(F)cccc1C[NH2+]CCC[N@H+]1CCC[C@@H](O)C1 ZINC000952971004 617147125 /nfs/dbraw/zinc/14/71/25/617147125.db2.gz WQTXWKPSXZXBEO-CQSZACIVSA-N 2 1 296.386 1.771 50 0 CDAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1cncnc1 ZINC000952870370 910421589 /nfs/dbraw/zinc/42/15/89/910421589.db2.gz YIWQVPKJDGYBDW-UHFFFAOYSA-N 2 1 259.357 1.976 50 0 CDAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000952979744 910529643 /nfs/dbraw/zinc/52/96/43/910529643.db2.gz ILHKJEXTYNEGIG-SNVBAGLBSA-N 2 1 258.325 1.526 50 0 CDAAMP Cn1ccnc1CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690097 925723733 /nfs/dbraw/zinc/72/37/33/925723733.db2.gz LWZVJURFZRPMHE-ZDUSSCGKSA-N 2 1 264.417 1.625 50 0 CDAAMP Cn1ccnc1CC[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823690097 925723739 /nfs/dbraw/zinc/72/37/39/925723739.db2.gz LWZVJURFZRPMHE-ZDUSSCGKSA-N 2 1 264.417 1.625 50 0 CDAAMP Cn1ccnc1CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823690097 925723746 /nfs/dbraw/zinc/72/37/46/925723746.db2.gz LWZVJURFZRPMHE-ZDUSSCGKSA-N 2 1 264.417 1.625 50 0 CDAAMP CC(=O)NC(C)(C)C[C@@H](C)[NH2+]CCc1[nH]cc[nH+]1 ZINC001506400966 975149998 /nfs/dbraw/zinc/14/99/98/975149998.db2.gz AZQGSFUNUFFBQJ-SNVBAGLBSA-N 2 1 252.362 1.235 50 0 CDAAMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000178925553 342450448 /nfs/dbraw/zinc/45/04/48/342450448.db2.gz FPXOMUOSUWRZSU-ZDUSSCGKSA-N 2 1 276.384 1.361 50 0 CDAAMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N ZINC000128118588 187353350 /nfs/dbraw/zinc/35/33/50/187353350.db2.gz REFZYKRGGMUCCK-LLVKDONJSA-N 2 1 262.357 1.220 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N ZINC000128118588 187353351 /nfs/dbraw/zinc/35/33/51/187353351.db2.gz REFZYKRGGMUCCK-LLVKDONJSA-N 2 1 262.357 1.220 50 0 CDAAMP COCC[N@H+](C)C[C@@H]1CN(c2cccc(C)[nH+]2)C[C@@H]1CO ZINC000091644937 180214771 /nfs/dbraw/zinc/21/47/71/180214771.db2.gz KFVTZOPTTIYJJU-HUUCEWRRSA-N 2 1 293.411 1.013 50 0 CDAAMP COCC[N@@H+](C)C[C@@H]1CN(c2cccc(C)[nH+]2)C[C@@H]1CO ZINC000091644937 180214773 /nfs/dbraw/zinc/21/47/73/180214773.db2.gz KFVTZOPTTIYJJU-HUUCEWRRSA-N 2 1 293.411 1.013 50 0 CDAAMP CCc1[nH+]c(N)nc(NC[C@@H]2CC[N@@H+](CCOC)C2)c1C ZINC000092045755 180310818 /nfs/dbraw/zinc/31/08/18/180310818.db2.gz NRSWRQZEMAYPAE-LBPRGKRZSA-N 2 1 293.415 1.310 50 0 CDAAMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436180 357472333 /nfs/dbraw/zinc/47/23/33/357472333.db2.gz WYSLSWFNDCYREB-KBPBESRZSA-N 2 1 267.417 1.319 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000067756194 357624608 /nfs/dbraw/zinc/62/46/08/357624608.db2.gz XQVAEHPIHBUKGM-GFCCVEGCSA-N 2 1 251.374 1.722 50 0 CDAAMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000129455095 358284105 /nfs/dbraw/zinc/28/41/05/358284105.db2.gz POSFYXUKUUMCSE-YUELXQCFSA-N 2 1 273.380 1.382 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000129455095 358284109 /nfs/dbraw/zinc/28/41/09/358284109.db2.gz POSFYXUKUUMCSE-YUELXQCFSA-N 2 1 273.380 1.382 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000262670352 359278926 /nfs/dbraw/zinc/27/89/26/359278926.db2.gz NLRHAMHFAWGMPF-CRWXNKLISA-N 2 1 267.417 1.303 50 0 CDAAMP COc1ccc2c(c1)C[C@@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000133311587 361596613 /nfs/dbraw/zinc/59/66/13/361596613.db2.gz KFHDHLJUFSVFRZ-HNNXBMFYSA-N 2 1 260.381 1.848 50 0 CDAAMP COc1ccc2c(c1)C[C@@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000133311587 361596616 /nfs/dbraw/zinc/59/66/16/361596616.db2.gz KFHDHLJUFSVFRZ-HNNXBMFYSA-N 2 1 260.381 1.848 50 0 CDAAMP CSCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252495536 367642337 /nfs/dbraw/zinc/64/23/37/367642337.db2.gz OSVOKESMUGCZDC-OCCSQVGLSA-N 2 1 299.484 1.542 50 0 CDAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCSC3)C2)CC1 ZINC000375749179 370951734 /nfs/dbraw/zinc/95/17/34/370951734.db2.gz MTRDMPWNQROHFW-LSDHHAIUSA-N 2 1 283.485 1.451 50 0 CDAAMP Cc1ncc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)n1C ZINC000668110186 483566334 /nfs/dbraw/zinc/56/63/34/483566334.db2.gz ZEUNJKFPCGRZGG-OAHLLOKOSA-N 2 1 292.427 1.273 50 0 CDAAMP CC[C@@H](C(=O)N1CC[NH+](CC2CCC2)CC1)[N@@H+](C)CC ZINC000952974651 615371210 /nfs/dbraw/zinc/37/12/10/615371210.db2.gz QJFSGROMGVNPKV-HNNXBMFYSA-N 2 1 281.444 1.661 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001772705611 1159440740 /nfs/dbraw/zinc/44/07/40/1159440740.db2.gz YWVPNKPXSZJBGY-LBPRGKRZSA-N 2 1 291.399 1.192 50 0 CDAAMP CC[NH+](CC)CC1(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC000823076035 925667693 /nfs/dbraw/zinc/66/76/93/925667693.db2.gz NETZXNCHZIWVSQ-UHFFFAOYSA-N 2 1 264.373 1.182 50 0 CDAAMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Cl)o2)CC1 ZINC000823684413 925720940 /nfs/dbraw/zinc/72/09/40/925720940.db2.gz SUGUMKLJGRXRQD-UHFFFAOYSA-N 2 1 272.776 1.822 50 0 CDAAMP CCOC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000239352753 361745424 /nfs/dbraw/zinc/74/54/24/361745424.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 2 1 280.412 1.888 50 0 CDAAMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000239352753 361745428 /nfs/dbraw/zinc/74/54/28/361745428.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 2 1 280.412 1.888 50 0 CDAAMP CCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000239352753 361745430 /nfs/dbraw/zinc/74/54/30/361745430.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 2 1 280.412 1.888 50 0 CDAAMP C[NH+](C)CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000097101918 185532241 /nfs/dbraw/zinc/53/22/41/185532241.db2.gz RMEOWABYYXDRCH-UHFFFAOYSA-N 2 1 290.411 1.693 50 0 CDAAMP O=C(CN1CCCC1)N[C@H](Cn1ccnc1)c1ccccc1 ZINC000584898301 349360174 /nfs/dbraw/zinc/36/01/74/349360174.db2.gz DBIZULLNNSXRHI-MRXNPFEDSA-N 2 1 298.390 1.836 50 0 CDAAMP CSc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097499509 358780655 /nfs/dbraw/zinc/78/06/55/358780655.db2.gz KRTLIGSTNGNTBP-HNNXBMFYSA-N 2 1 291.464 1.888 50 0 CDAAMP Cc1ccc([C@@H]2C[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)C[C@H]2N(C)C)cc1 ZINC000102444763 358878955 /nfs/dbraw/zinc/87/89/55/358878955.db2.gz XTSYXNFJWKVXQO-ZWJWXYIHSA-N 2 1 299.462 1.790 50 0 CDAAMP Cc1cc(N2CCC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc[nH+]1 ZINC000101853442 390460442 /nfs/dbraw/zinc/46/04/42/390460442.db2.gz XQNQNGLJVYWDDM-FVQHAEBGSA-N 2 1 286.423 1.368 50 0 CDAAMP Fc1ccc(N2CC[C@@H]([N@@H+]3CCC[NH2+]CC3)C2)cc1 ZINC000259453277 391043936 /nfs/dbraw/zinc/04/39/36/391043936.db2.gz WIRDEYVOVZBSMA-OAHLLOKOSA-N 2 1 263.360 1.700 50 0 CDAAMP Fc1ccc(N2CC[C@@H]([N@H+]3CCC[NH2+]CC3)C2)cc1 ZINC000259453277 391043937 /nfs/dbraw/zinc/04/39/37/391043937.db2.gz WIRDEYVOVZBSMA-OAHLLOKOSA-N 2 1 263.360 1.700 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000823557287 925709621 /nfs/dbraw/zinc/70/96/21/925709621.db2.gz JHHDZEMZJPMDFE-LLVKDONJSA-N 2 1 285.413 1.001 50 0 CDAAMP C[NH+]1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001529191238 969009812 /nfs/dbraw/zinc/00/98/12/969009812.db2.gz VKJNEVFTAILCOD-GDBMZVCRSA-N 2 1 275.396 1.323 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000095967233 185046268 /nfs/dbraw/zinc/04/62/68/185046268.db2.gz UQFKKWPTQOXWER-RDBSUJKOSA-N 2 1 250.390 1.592 50 0 CDAAMP C[C@H]1CC[C@@H](CO)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000097103395 342192087 /nfs/dbraw/zinc/19/20/87/342192087.db2.gz ZOCTYLFWRJDOBT-LSDHHAIUSA-N 2 1 254.418 1.955 50 0 CDAAMP O=C1CCCN1CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000065465858 361906448 /nfs/dbraw/zinc/90/64/48/361906448.db2.gz AHTOQJPTSSZUNH-CQSZACIVSA-N 2 1 288.395 1.438 50 0 CDAAMP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021395 185153976 /nfs/dbraw/zinc/15/39/76/185153976.db2.gz FCULVMSQGYSJCJ-RRFJBIMHSA-N 2 1 295.427 1.728 50 0 CDAAMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340205 345170614 /nfs/dbraw/zinc/17/06/14/345170614.db2.gz VXORDJDKQJWKTQ-LBPRGKRZSA-N 2 1 264.373 1.181 50 0 CDAAMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617340205 345170617 /nfs/dbraw/zinc/17/06/17/345170617.db2.gz VXORDJDKQJWKTQ-LBPRGKRZSA-N 2 1 264.373 1.181 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC(C)(C)C)C2)CC1 ZINC000020542327 356546966 /nfs/dbraw/zinc/54/69/66/356546966.db2.gz XETHINUHJAPLBL-CYBMUJFWSA-N 2 1 281.444 1.707 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC(C)(C)C)C2)CC1 ZINC000020542327 356546968 /nfs/dbraw/zinc/54/69/68/356546968.db2.gz XETHINUHJAPLBL-CYBMUJFWSA-N 2 1 281.444 1.707 50 0 CDAAMP COCc1ncc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000067833866 357629656 /nfs/dbraw/zinc/62/96/56/357629656.db2.gz GTMXWJLJFUZHOA-INIZCTEOSA-N 2 1 290.411 1.541 50 0 CDAAMP COc1ccc2c(c1)C[C@H]([N@@H+]1CCC[NH2+]CC1)CC2 ZINC000133311360 361596145 /nfs/dbraw/zinc/59/61/45/361596145.db2.gz KFHDHLJUFSVFRZ-OAHLLOKOSA-N 2 1 260.381 1.848 50 0 CDAAMP COc1ccc2c(c1)C[C@H]([N@H+]1CCC[NH2+]CC1)CC2 ZINC000133311360 361596154 /nfs/dbraw/zinc/59/61/54/361596154.db2.gz KFHDHLJUFSVFRZ-OAHLLOKOSA-N 2 1 260.381 1.848 50 0 CDAAMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000175037642 364618738 /nfs/dbraw/zinc/61/87/38/364618738.db2.gz WGQBRMVSMXMOIC-JKSUJKDBSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000175037642 364618744 /nfs/dbraw/zinc/61/87/44/364618744.db2.gz WGQBRMVSMXMOIC-JKSUJKDBSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[N@H+]1CCC[C@@H](CN2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000244882728 377798552 /nfs/dbraw/zinc/79/85/52/377798552.db2.gz XXLRJADSHBDTDM-CVEARBPZSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC000244882728 377798561 /nfs/dbraw/zinc/79/85/61/377798561.db2.gz XXLRJADSHBDTDM-CVEARBPZSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000244882728 377798569 /nfs/dbraw/zinc/79/85/69/377798569.db2.gz XXLRJADSHBDTDM-CVEARBPZSA-N 2 1 265.445 1.888 50 0 CDAAMP CC(C)O[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1O ZINC000067784585 390576011 /nfs/dbraw/zinc/57/60/11/390576011.db2.gz QBVFOVRKECUTJN-HOTGVXAUSA-N 2 1 296.455 1.769 50 0 CDAAMP [NH3+]CCc1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000244734286 391044305 /nfs/dbraw/zinc/04/43/05/391044305.db2.gz NCSRZYPYRWMPGG-KRWDZBQOSA-N 2 1 273.424 1.858 50 0 CDAAMP [NH3+]CCc1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000244734286 391044309 /nfs/dbraw/zinc/04/43/09/391044309.db2.gz NCSRZYPYRWMPGG-KRWDZBQOSA-N 2 1 273.424 1.858 50 0 CDAAMP [NH3+]CCc1ccc(C[N@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000244734286 391044313 /nfs/dbraw/zinc/04/43/13/391044313.db2.gz NCSRZYPYRWMPGG-KRWDZBQOSA-N 2 1 273.424 1.858 50 0 CDAAMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388931228 397809159 /nfs/dbraw/zinc/80/91/59/397809159.db2.gz QNBXZNXFHBQBFT-IHRRRGAJSA-N 2 1 258.406 1.092 50 0 CDAAMP C[NH2+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299739502 277020309 /nfs/dbraw/zinc/02/03/09/277020309.db2.gz PKDZGVWNVDQEIN-ZIAGYGMSSA-N 2 1 267.417 1.319 50 0 CDAAMP C[C@H](C(N)=O)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821647 289392727 /nfs/dbraw/zinc/39/27/27/289392727.db2.gz INZHNGFEGXCBED-CYBMUJFWSA-N 2 1 290.411 1.494 50 0 CDAAMP O=C1CC[C@H]([NH2+]CCc2[nH]cc[nH+]2)CCN1CC1CC1 ZINC000534581868 328312136 /nfs/dbraw/zinc/31/21/36/328312136.db2.gz ZCXMNLFPFNATLG-ZDUSSCGKSA-N 2 1 276.384 1.333 50 0 CDAAMP CCC[N@H+](CCCN1CCC(F)(F)CC1)CC(=O)NC ZINC000952993102 614578347 /nfs/dbraw/zinc/57/83/47/614578347.db2.gz WHNWOEKNZYIHBN-UHFFFAOYSA-N 2 1 291.386 1.566 50 0 CDAAMP CCC[N@@H+](CCCN1CCC(F)(F)CC1)CC(=O)NC ZINC000952993102 614578351 /nfs/dbraw/zinc/57/83/51/614578351.db2.gz WHNWOEKNZYIHBN-UHFFFAOYSA-N 2 1 291.386 1.566 50 0 CDAAMP F[C@@H]1C[NH2+][C@H](CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000082137697 683420874 /nfs/dbraw/zinc/42/08/74/683420874.db2.gz XXOBMDFZWVNUFW-BBRMVZONSA-N 2 1 292.402 1.336 50 0 CDAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@H](C)[NH3+] ZINC000952979740 683592916 /nfs/dbraw/zinc/59/29/16/683592916.db2.gz ILHKJEXTYNEGIG-JTQLQIEISA-N 2 1 258.325 1.526 50 0 CDAAMP COCC[N@H+]1CC[C@@H](C[NH2+]C2CSCCSC2)C1 ZINC000824412471 925820811 /nfs/dbraw/zinc/82/08/11/925820811.db2.gz WEWGTKZMKDEOKA-LBPRGKRZSA-N 2 1 290.498 1.393 50 0 CDAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)C[NH+]1CCCCCCC1 ZINC000584892458 349351976 /nfs/dbraw/zinc/35/19/76/349351976.db2.gz AOZKMVLDOHNRND-GJZGRUSLSA-N 2 1 297.443 1.088 50 0 CDAAMP Cc1ncc(CO)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000067895944 357635905 /nfs/dbraw/zinc/63/59/05/357635905.db2.gz LWAVPRWBOFHXPM-MRXNPFEDSA-N 2 1 291.395 1.163 50 0 CDAAMP Cc1ncc(CO)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1O ZINC000067895944 357635910 /nfs/dbraw/zinc/63/59/10/357635910.db2.gz LWAVPRWBOFHXPM-MRXNPFEDSA-N 2 1 291.395 1.163 50 0 CDAAMP CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000261635745 359546959 /nfs/dbraw/zinc/54/69/59/359546959.db2.gz DEFYUULXLSEVAW-CHWSQXEVSA-N 2 1 269.433 1.693 50 0 CDAAMP CC[N@@H+](CCNC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000089969208 366990328 /nfs/dbraw/zinc/99/03/28/366990328.db2.gz YFDFVVCZSMNIDD-UHFFFAOYSA-N 2 1 294.443 1.397 50 0 CDAAMP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000022014981 277202572 /nfs/dbraw/zinc/20/25/72/277202572.db2.gz FWXFHIGFBZXEOP-LLVKDONJSA-N 2 1 269.389 1.337 50 0 CDAAMP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000022014981 277202574 /nfs/dbraw/zinc/20/25/74/277202574.db2.gz FWXFHIGFBZXEOP-LLVKDONJSA-N 2 1 269.389 1.337 50 0 CDAAMP C[N@@H+]1CCCN(c2ncc(Cl)cn2)CC12CC[NH2+]CC2 ZINC000534670085 328346965 /nfs/dbraw/zinc/34/69/65/328346965.db2.gz KMSHXLYLRMSLOG-UHFFFAOYSA-N 2 1 295.818 1.394 50 0 CDAAMP C[N@H+]1CCCN(c2ncc(Cl)cn2)CC12CC[NH2+]CC2 ZINC000534670085 328346967 /nfs/dbraw/zinc/34/69/67/328346967.db2.gz KMSHXLYLRMSLOG-UHFFFAOYSA-N 2 1 295.818 1.394 50 0 CDAAMP COCCOCC[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000824447763 925823990 /nfs/dbraw/zinc/82/39/90/925823990.db2.gz WNHOLVLPTRVANW-CYBMUJFWSA-N 2 1 258.406 1.312 50 0 CDAAMP COCCOCC[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000824447763 925823998 /nfs/dbraw/zinc/82/39/98/925823998.db2.gz WNHOLVLPTRVANW-CYBMUJFWSA-N 2 1 258.406 1.312 50 0 CDAAMP CC[C@H](CNc1cc(C)[nH+]c(C)c1)[NH+]1CCOCC1 ZINC000584902967 341987075 /nfs/dbraw/zinc/98/70/75/341987075.db2.gz IUACUWHTPDRWMI-OAHLLOKOSA-N 2 1 263.385 1.643 50 0 CDAAMP Cc1[nH+]ccn1CCC(=O)NCCC12CCC[NH+]1CCC2 ZINC000244708356 361859178 /nfs/dbraw/zinc/85/91/78/361859178.db2.gz KSGUCUNPRMEWCZ-UHFFFAOYSA-N 2 1 290.411 1.716 50 0 CDAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000757102 356813843 /nfs/dbraw/zinc/81/38/43/356813843.db2.gz BFHADDFHSMDVKN-LBPRGKRZSA-N 2 1 253.390 1.058 50 0 CDAAMP Cc1cccc([C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)c1 ZINC000065375380 357533457 /nfs/dbraw/zinc/53/34/57/357533457.db2.gz YMXMKVQFRRYDOY-XHSDSOJGSA-N 2 1 287.407 1.561 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[C@H]2CCCC[N@H+]2C)c1C ZINC000426388110 360662628 /nfs/dbraw/zinc/66/26/28/360662628.db2.gz DJIBSRQVDVSMCS-CQSZACIVSA-N 2 1 278.400 1.491 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[C@H]2CCCC[N@@H+]2C)c1C ZINC000426388110 360662630 /nfs/dbraw/zinc/66/26/30/360662630.db2.gz DJIBSRQVDVSMCS-CQSZACIVSA-N 2 1 278.400 1.491 50 0 CDAAMP CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246750776 392018210 /nfs/dbraw/zinc/01/82/10/392018210.db2.gz ZVKPLFGNDYTKEV-KFWWJZLASA-N 2 1 281.444 1.837 50 0 CDAAMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408370 173185313 /nfs/dbraw/zinc/18/53/13/173185313.db2.gz GIZRRICXDPWZOI-ZDUSSCGKSA-N 2 1 262.401 1.611 50 0 CDAAMP CNC(=O)C[C@@H]1CC[N@H+](C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455287 483031408 /nfs/dbraw/zinc/03/14/08/483031408.db2.gz OFACTCPBFUZCEE-AWEZNQCLSA-N 2 1 293.455 1.851 50 0 CDAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CCN2CCCC2=O)C1 ZINC000670463536 483052928 /nfs/dbraw/zinc/05/29/28/483052928.db2.gz ITJQAWSRIIMWML-HNNXBMFYSA-N 2 1 290.411 1.526 50 0 CDAAMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CCN2CCCC2=O)C1 ZINC000670463536 483052933 /nfs/dbraw/zinc/05/29/33/483052933.db2.gz ITJQAWSRIIMWML-HNNXBMFYSA-N 2 1 290.411 1.526 50 0 CDAAMP [NH3+]C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CC[NH2+]1 ZINC000757207438 577035804 /nfs/dbraw/zinc/03/58/04/577035804.db2.gz BEYZMBORRMATFB-CHWFTXMASA-N 2 1 265.323 1.244 50 0 CDAAMP O[C@@H]1COCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077408214 692832383 /nfs/dbraw/zinc/83/23/83/692832383.db2.gz KHZSPZGLMRGUIY-AWEZNQCLSA-N 2 1 296.436 1.537 50 0 CDAAMP O[C@@H]1COCC[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077408214 692832385 /nfs/dbraw/zinc/83/23/85/692832385.db2.gz KHZSPZGLMRGUIY-AWEZNQCLSA-N 2 1 296.436 1.537 50 0 CDAAMP Cc1cc(NCC2([NH+]3CCOCC3)CCCC2)nc(N)[nH+]1 ZINC000032598445 723532193 /nfs/dbraw/zinc/53/21/93/723532193.db2.gz OVLYERYPRRDXRP-UHFFFAOYSA-N 2 1 291.399 1.424 50 0 CDAAMP Cn1cc[nH+]c1CCN1CCC([NH+]2CCCC2)CC1 ZINC001506407873 975152737 /nfs/dbraw/zinc/15/27/37/975152737.db2.gz SNCCKRNNFFLPNR-UHFFFAOYSA-N 2 1 262.401 1.523 50 0 CDAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(OC)c2)C1 ZINC001506409479 975152744 /nfs/dbraw/zinc/15/27/44/975152744.db2.gz RAQRRNLHTQIUOK-AWEZNQCLSA-N 2 1 296.386 1.892 50 0 CDAAMP CCc1nccn1C[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC001506428310 975161970 /nfs/dbraw/zinc/16/19/70/975161970.db2.gz PXFIOUNQOJRUBC-TUVASFSCSA-N 2 1 276.428 1.573 50 0 CDAAMP COc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cc1 ZINC000244840215 361866476 /nfs/dbraw/zinc/86/64/76/361866476.db2.gz UIYDPQWMBZQAJA-VIKVFOODSA-N 2 1 276.380 1.743 50 0 CDAAMP C[C@H]1CC[C@H](CO)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000097103393 342192062 /nfs/dbraw/zinc/19/20/62/342192062.db2.gz ZOCTYLFWRJDOBT-GJZGRUSLSA-N 2 1 254.418 1.955 50 0 CDAAMP Cn1ncc2c1CCC[N@H+](C[C@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940798 539045904 /nfs/dbraw/zinc/04/59/04/539045904.db2.gz VMGXTLUEHMTDIL-KGLIPLIRSA-N 2 1 292.427 1.170 50 0 CDAAMP Cn1ncc2c1CCC[N@@H+](C[C@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940798 539045905 /nfs/dbraw/zinc/04/59/05/539045905.db2.gz VMGXTLUEHMTDIL-KGLIPLIRSA-N 2 1 292.427 1.170 50 0 CDAAMP CC(C)[C@@H]1[N@@H+](Cc2ccccc2)C[C@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944110 539046060 /nfs/dbraw/zinc/04/60/60/539046060.db2.gz LVUNZYDAQWYWGR-WCXIOVBPSA-N 2 1 274.408 1.995 50 0 CDAAMP CN1CCC([N@H+]2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706813 356319192 /nfs/dbraw/zinc/31/91/92/356319192.db2.gz LVOMTRKEHLVGDJ-CQSZACIVSA-N 2 1 293.455 1.851 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706813 356319194 /nfs/dbraw/zinc/31/91/94/356319194.db2.gz LVOMTRKEHLVGDJ-CQSZACIVSA-N 2 1 293.455 1.851 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CCCC3)C2)CC1 ZINC000012706813 356319195 /nfs/dbraw/zinc/31/91/95/356319195.db2.gz LVOMTRKEHLVGDJ-CQSZACIVSA-N 2 1 293.455 1.851 50 0 CDAAMP CNc1cc[nH+]c(N(C)C[C@H]2CCC[N@H+](CCOC)C2)n1 ZINC000065396812 357536981 /nfs/dbraw/zinc/53/69/81/357536981.db2.gz JYUKITHCNMJTRX-CYBMUJFWSA-N 2 1 293.415 1.313 50 0 CDAAMP CNc1cc[nH+]c(N(C)C[C@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000065396812 357536985 /nfs/dbraw/zinc/53/69/85/357536985.db2.gz JYUKITHCNMJTRX-CYBMUJFWSA-N 2 1 293.415 1.313 50 0 CDAAMP CCCCSc1nc(N2CC[C@H](C[NH3+])C2)cc(N)[nH+]1 ZINC000095379932 358689508 /nfs/dbraw/zinc/68/95/08/358689508.db2.gz ZTNLADYXNAAHPR-SNVBAGLBSA-N 2 1 281.429 1.736 50 0 CDAAMP CCCCSc1nc(N)cc(N2CC[C@H](C[NH3+])C2)[nH+]1 ZINC000095379932 358689510 /nfs/dbraw/zinc/68/95/10/358689510.db2.gz ZTNLADYXNAAHPR-SNVBAGLBSA-N 2 1 281.429 1.736 50 0 CDAAMP O=C(NCCc1cnc[nH]1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097654155 358790698 /nfs/dbraw/zinc/79/06/98/358790698.db2.gz NCDKZJKCUAJBAL-UHFFFAOYSA-N 2 1 288.351 1.571 50 0 CDAAMP O=C(NCCc1c[nH]cn1)c1ccc(CN2CCCC2)o1 ZINC000097654155 358790701 /nfs/dbraw/zinc/79/07/01/358790701.db2.gz NCDKZJKCUAJBAL-UHFFFAOYSA-N 2 1 288.351 1.571 50 0 CDAAMP CCc1nc(N)nc(NCc2cccnc2N)c1C ZINC000095365332 374889608 /nfs/dbraw/zinc/88/96/08/374889608.db2.gz OKKRVRHMZFTWEP-UHFFFAOYSA-N 2 1 258.329 1.519 50 0 CDAAMP C(C1CC[NH2+]CC1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000178980452 140011102 /nfs/dbraw/zinc/01/11/02/140011102.db2.gz BORKZAYWQYYTFJ-AWEZNQCLSA-N 2 1 289.427 1.403 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCn1c(C)cc(C)nc1=O ZINC000067819232 175794894 /nfs/dbraw/zinc/79/48/94/175794894.db2.gz FONPFQPZMHPHGC-GFCCVEGCSA-N 2 1 289.383 1.043 50 0 CDAAMP CC(C)[C@H](CN1CCOCC1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974253 280238532 /nfs/dbraw/zinc/23/85/32/280238532.db2.gz IWMRMUHLKWTPGN-BBWFWOEESA-N 2 1 295.471 1.560 50 0 CDAAMP C[NH2+]Cc1nnc(NCC2([NH+]3CCCCC3)CCCC2)o1 ZINC001772703471 1159438903 /nfs/dbraw/zinc/43/89/03/1159438903.db2.gz XLUPEFWNRLNBCL-UHFFFAOYSA-N 2 1 293.415 2.000 50 0 CDAAMP OC[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000670465163 483055451 /nfs/dbraw/zinc/05/54/51/483055451.db2.gz GPSFSPMCMRTTJO-LBPRGKRZSA-N 2 1 289.383 1.558 50 0 CDAAMP OC[C@@H]1CCCC[N@H+]1CCCNc1[nH+]cnc2[nH]ccc21 ZINC000670465163 483055456 /nfs/dbraw/zinc/05/54/56/483055456.db2.gz GPSFSPMCMRTTJO-LBPRGKRZSA-N 2 1 289.383 1.558 50 0 CDAAMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000414058009 536499781 /nfs/dbraw/zinc/49/97/81/536499781.db2.gz GOCRLGKKPPKBML-GFCCVEGCSA-N 2 1 263.385 1.705 50 0 CDAAMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NCCn1ccnc1 ZINC000426551090 695296870 /nfs/dbraw/zinc/29/68/70/695296870.db2.gz IXMHRMOBBOAWQZ-BETUJISGSA-N 2 1 264.373 1.262 50 0 CDAAMP CCc1nccn1C[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426411540 695983852 /nfs/dbraw/zinc/98/38/52/695983852.db2.gz SGSNBQCRDIZVAH-AWEZNQCLSA-N 2 1 276.428 1.910 50 0 CDAAMP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC001772707456 1159441226 /nfs/dbraw/zinc/44/12/26/1159441226.db2.gz SXFYLWIQYRJDBJ-HZPDHXFCSA-N 2 1 266.429 1.861 50 0 CDAAMP CC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccncc2)CC1 ZINC001704348271 1177697837 /nfs/dbraw/zinc/69/78/37/1177697837.db2.gz DXIJKUGESOPUER-NVXWUHKLSA-N 2 1 289.423 1.713 50 0 CDAAMP CC[N@H+](C)C(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1C ZINC000426624952 723943863 /nfs/dbraw/zinc/94/38/63/723943863.db2.gz YYXYBLURYOKWMX-LLVKDONJSA-N 2 1 266.389 1.599 50 0 CDAAMP CC[N@@H+](C)C(C)(C)CNC(=O)[C@@H](C)n1cc[nH+]c1C ZINC000426624952 723943876 /nfs/dbraw/zinc/94/38/76/723943876.db2.gz YYXYBLURYOKWMX-LLVKDONJSA-N 2 1 266.389 1.599 50 0 CDAAMP CC[C@H]1CN(c2nc(C)nc3c2CC[NH2+]CC3)CC[N@H+]1C ZINC000065395804 725208609 /nfs/dbraw/zinc/20/86/09/725208609.db2.gz IXNVSTOELZHSGX-ZDUSSCGKSA-N 2 1 289.427 1.004 50 0 CDAAMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1Cc1ccccc1 ZINC000585116790 930970036 /nfs/dbraw/zinc/97/00/36/930970036.db2.gz IMUABNCEBOZPJN-UAGQMJEPSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1Cc1ccccc1 ZINC000585116790 930970043 /nfs/dbraw/zinc/97/00/43/930970043.db2.gz IMUABNCEBOZPJN-UAGQMJEPSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116790 930970049 /nfs/dbraw/zinc/97/00/49/930970049.db2.gz IMUABNCEBOZPJN-UAGQMJEPSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116790 930970056 /nfs/dbraw/zinc/97/00/56/930970056.db2.gz IMUABNCEBOZPJN-UAGQMJEPSA-N 2 1 292.423 1.325 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1noc(C2CC2)n1 ZINC000584902824 341987015 /nfs/dbraw/zinc/98/70/15/341987015.db2.gz BCXYOUZERIVZSI-SNVBAGLBSA-N 2 1 275.356 1.673 50 0 CDAAMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000251831572 361821370 /nfs/dbraw/zinc/82/13/70/361821370.db2.gz POSFYXUKUUMCSE-SNPRPXQTSA-N 2 1 273.380 1.382 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000251831572 361821375 /nfs/dbraw/zinc/82/13/75/361821375.db2.gz POSFYXUKUUMCSE-SNPRPXQTSA-N 2 1 273.380 1.382 50 0 CDAAMP Cn1ncc2c1CCC[N@H+](C[C@@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940801 539045859 /nfs/dbraw/zinc/04/58/59/539045859.db2.gz VMGXTLUEHMTDIL-ZIAGYGMSSA-N 2 1 292.427 1.170 50 0 CDAAMP Cn1ncc2c1CCC[N@@H+](C[C@@H](C[NH3+])C[C@H]1CCOC1)C2 ZINC000685940801 539045860 /nfs/dbraw/zinc/04/58/60/539045860.db2.gz VMGXTLUEHMTDIL-ZIAGYGMSSA-N 2 1 292.427 1.170 50 0 CDAAMP COC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000126868185 187266349 /nfs/dbraw/zinc/26/63/49/187266349.db2.gz MONGLGSQUFTSFX-ARFHVFGLSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000126868185 187266351 /nfs/dbraw/zinc/26/63/51/187266351.db2.gz MONGLGSQUFTSFX-ARFHVFGLSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000126868185 187266353 /nfs/dbraw/zinc/26/63/53/187266353.db2.gz MONGLGSQUFTSFX-ARFHVFGLSA-N 2 1 284.444 1.580 50 0 CDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCN1CCCCC1=O ZINC000584891775 349350902 /nfs/dbraw/zinc/35/09/02/349350902.db2.gz LZRYRHKOJPIIGX-ZDUSSCGKSA-N 2 1 278.400 1.572 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000089941633 538444289 /nfs/dbraw/zinc/44/42/89/538444289.db2.gz XJBXDRNIQXEHLD-HUUCEWRRSA-N 2 1 279.428 1.604 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000089941633 538444291 /nfs/dbraw/zinc/44/42/91/538444291.db2.gz XJBXDRNIQXEHLD-HUUCEWRRSA-N 2 1 279.428 1.604 50 0 CDAAMP Cc1ccc(NC[C@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000097200786 358188664 /nfs/dbraw/zinc/18/86/64/358188664.db2.gz QPPMUVPGNCNURM-CHWSQXEVSA-N 2 1 275.352 1.439 50 0 CDAAMP Cc1ccc(NC[C@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000097200786 358188666 /nfs/dbraw/zinc/18/86/66/358188666.db2.gz QPPMUVPGNCNURM-CHWSQXEVSA-N 2 1 275.352 1.439 50 0 CDAAMP Cc1[nH+]cn(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000221189275 189725248 /nfs/dbraw/zinc/72/52/48/189725248.db2.gz WKLFJDMHOGUZFC-AWEZNQCLSA-N 2 1 278.400 1.443 50 0 CDAAMP CC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000252497896 367646961 /nfs/dbraw/zinc/64/69/61/367646961.db2.gz HHBGMXMXWGAFMK-OAHLLOKOSA-N 2 1 296.459 1.598 50 0 CDAAMP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000252497896 367646964 /nfs/dbraw/zinc/64/69/64/367646964.db2.gz HHBGMXMXWGAFMK-OAHLLOKOSA-N 2 1 296.459 1.598 50 0 CDAAMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739028 375199677 /nfs/dbraw/zinc/19/96/77/375199677.db2.gz JPWSMXSUBOAJBG-OLZOCXBDSA-N 2 1 253.390 1.201 50 0 CDAAMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000195554598 393294916 /nfs/dbraw/zinc/29/49/16/393294916.db2.gz UUIVQKHBAVRWQA-SDADXPQNSA-N 2 1 293.455 1.835 50 0 CDAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856021 140398851 /nfs/dbraw/zinc/39/88/51/140398851.db2.gz XEGNLKHGZQVCOH-NWANDNLSSA-N 2 1 273.380 1.684 50 0 CDAAMP CC(C)C[N@@H+](Cc1ccsc1)C[C@@]1(O)CC[NH2+]C1 ZINC000077505352 177276380 /nfs/dbraw/zinc/27/63/80/177276380.db2.gz OIQDKDLVHOCSMJ-CQSZACIVSA-N 2 1 268.426 1.931 50 0 CDAAMP CN1CCC[N@@H+](CCCc2ccco2)CC12CC[NH2+]CC2 ZINC000534669368 328346684 /nfs/dbraw/zinc/34/66/84/328346684.db2.gz JMYHUWNCXWXBAW-UHFFFAOYSA-N 2 1 291.439 1.972 50 0 CDAAMP C[C@@H]1C[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H]([NH3+])C1 ZINC000757209117 577035900 /nfs/dbraw/zinc/03/59/00/577035900.db2.gz FYDKCBZQGYYGEM-OGBGREFGSA-N 2 1 265.323 1.242 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000952977588 615777377 /nfs/dbraw/zinc/77/73/77/615777377.db2.gz IXGZGNVQJFBHCM-ZDUSSCGKSA-N 2 1 278.400 1.436 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCCCC[N@H+]1C ZINC000952977588 615777379 /nfs/dbraw/zinc/77/73/79/615777379.db2.gz IXGZGNVQJFBHCM-ZDUSSCGKSA-N 2 1 278.400 1.436 50 0 CDAAMP C[NH2+]Cc1nnc(NCCC2CC[NH+](C(C)C)CC2)o1 ZINC001772702374 1159437597 /nfs/dbraw/zinc/43/75/97/1159437597.db2.gz SALDGRKAGMYKOB-UHFFFAOYSA-N 2 1 281.404 1.711 50 0 CDAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3ncc[nH]3)C[C@@H]2C1 ZINC001704356601 1177700719 /nfs/dbraw/zinc/70/07/19/1177700719.db2.gz GXOSBTDEJKKGKJ-KPWCQOOUSA-N 2 1 262.401 1.960 50 0 CDAAMP CCc1nc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)[nH]1 ZINC000067895150 728256864 /nfs/dbraw/zinc/25/68/64/728256864.db2.gz RPAHGHPSTUGIOD-UHFFFAOYSA-N 2 1 262.401 1.856 50 0 CDAAMP COCC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426385 975160707 /nfs/dbraw/zinc/16/07/07/975160707.db2.gz GNWJAIRXXJTYJV-CQSZACIVSA-N 2 1 278.400 1.233 50 0 CDAAMP COCC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426385 975160709 /nfs/dbraw/zinc/16/07/09/975160709.db2.gz GNWJAIRXXJTYJV-CQSZACIVSA-N 2 1 278.400 1.233 50 0 CDAAMP O=C1CCCN1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065465854 361906793 /nfs/dbraw/zinc/90/67/93/361906793.db2.gz AHTOQJPTSSZUNH-AWEZNQCLSA-N 2 1 288.395 1.438 50 0 CDAAMP CC(C)[C@@H]1[N@@H+](Cc2ccccc2)C[C@@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944107 539046086 /nfs/dbraw/zinc/04/60/86/539046086.db2.gz LVUNZYDAQWYWGR-NCOADZHNSA-N 2 1 274.408 1.995 50 0 CDAAMP Cc1c[nH+]c(NCC[C@H]2CCC[N@H+](C)C2)nc1N(C)C ZINC000584888601 349347482 /nfs/dbraw/zinc/34/74/82/349347482.db2.gz ZEXKPBAMOPTDGA-CYBMUJFWSA-N 2 1 277.416 1.417 50 0 CDAAMP Cc1c[nH+]c(NCC[C@H]2CCC[N@@H+](C)C2)nc1N(C)C ZINC000584888601 349347483 /nfs/dbraw/zinc/34/74/83/349347483.db2.gz ZEXKPBAMOPTDGA-CYBMUJFWSA-N 2 1 277.416 1.417 50 0 CDAAMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000299738851 283060786 /nfs/dbraw/zinc/06/07/86/283060786.db2.gz HIFOSNHLGVMIIQ-IHRRRGAJSA-N 2 1 267.417 1.304 50 0 CDAAMP CC[NH+]1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000000227139 356813931 /nfs/dbraw/zinc/81/39/31/356813931.db2.gz YQUVMZLPCPKABT-UHFFFAOYSA-N 2 1 262.397 1.965 50 0 CDAAMP CC[NH+]1CCC([N@@H+](CCO)Cc2ccccc2)CC1 ZINC000000227139 356813932 /nfs/dbraw/zinc/81/39/32/356813932.db2.gz YQUVMZLPCPKABT-UHFFFAOYSA-N 2 1 262.397 1.965 50 0 CDAAMP Nc1ccnc(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000095522285 358696457 /nfs/dbraw/zinc/69/64/57/358696457.db2.gz PVNUNZXIHNBSEO-UHFFFAOYSA-N 2 1 261.373 1.514 50 0 CDAAMP CN1CCC[N@H+]([C@@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701767 360698093 /nfs/dbraw/zinc/69/80/93/360698093.db2.gz XWTTXPXOHIXGRA-CYBMUJFWSA-N 2 1 269.458 1.252 50 0 CDAAMP CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000122370563 367007394 /nfs/dbraw/zinc/00/73/94/367007394.db2.gz OFXRXVXZBXEYJF-GZBFAFLISA-N 2 1 265.401 1.262 50 0 CDAAMP CC(C)[NH+]1CCC(CN2CCN3CC[N@@H+](C)C[C@@H]3C2)CC1 ZINC000065387803 390552240 /nfs/dbraw/zinc/55/22/40/390552240.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 2 1 294.487 1.038 50 0 CDAAMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000071721417 176252790 /nfs/dbraw/zinc/25/27/90/176252790.db2.gz DQWUJOKZUVDXDT-QWHCGFSZSA-N 2 1 253.390 1.057 50 0 CDAAMP O=C(c1ccccc1)C1CC[NH+](C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000077406565 177264044 /nfs/dbraw/zinc/26/40/44/177264044.db2.gz COKAOFDPPCIBPK-QGZVFWFLSA-N 2 1 288.391 1.306 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711464 1159446312 /nfs/dbraw/zinc/44/63/12/1159446312.db2.gz YZVUTMBLYXAVPR-CJNGLKHVSA-N 2 1 264.413 1.613 50 0 CDAAMP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710807 1159445154 /nfs/dbraw/zinc/44/51/54/1159445154.db2.gz WRMMOBREASERSA-CZUORRHYSA-N 2 1 294.370 1.108 50 0 CDAAMP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710807 1159445156 /nfs/dbraw/zinc/44/51/56/1159445156.db2.gz WRMMOBREASERSA-CZUORRHYSA-N 2 1 294.370 1.108 50 0 CDAAMP CC(C)(CN1C[C@@H]2CC[C@H]1C[NH2+]C2)C[NH+]1CCOCC1 ZINC000426486445 729966152 /nfs/dbraw/zinc/96/61/52/729966152.db2.gz SITKGDCRAWAJJV-CABCVRRESA-N 2 1 281.444 1.029 50 0 CDAAMP CO[C@H]1CN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC[C@H]1[NH3+] ZINC000071613750 730029877 /nfs/dbraw/zinc/02/98/77/730029877.db2.gz NSQSWZCWTOIQTB-MNOVXSKESA-N 2 1 289.301 1.961 50 0 CDAAMP CCc1c(C)[nH+]c(N)nc1NC[C@H]1CCC[N@@H+](CCO)C1 ZINC000095369794 934972021 /nfs/dbraw/zinc/97/20/21/934972021.db2.gz LARUNIYMHMYCLF-GFCCVEGCSA-N 2 1 293.415 1.046 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC001506409362 975153144 /nfs/dbraw/zinc/15/31/44/975153144.db2.gz ZFMNAFJXOPSECS-MRXNPFEDSA-N 2 1 294.487 1.183 50 0 CDAAMP C[C@H]1C[NH+](CCOc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000037049819 363330907 /nfs/dbraw/zinc/33/09/07/363330907.db2.gz QLIRRHFEZCKROH-KBPBESRZSA-N 2 1 278.396 1.676 50 0 CDAAMP COc1ccc(CC[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000002575371 355975995 /nfs/dbraw/zinc/97/59/95/355975995.db2.gz CWENNUNXHJSJRK-UHFFFAOYSA-N 2 1 278.396 1.930 50 0 CDAAMP Cc1cccc(C[N@H+]2CCCN(CCC[NH3+])CC2)c1 ZINC000037038104 356897128 /nfs/dbraw/zinc/89/71/28/356897128.db2.gz ZROSKQRSATUSPG-UHFFFAOYSA-N 2 1 261.413 1.852 50 0 CDAAMP COCC[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000089414502 359284024 /nfs/dbraw/zinc/28/40/24/359284024.db2.gz ZHZDATDDJYWAPC-UHFFFAOYSA-N 2 1 289.383 1.728 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000252517729 367741687 /nfs/dbraw/zinc/74/16/87/367741687.db2.gz PYYKMKAJZAWCMR-AVGNSLFASA-N 2 1 291.361 1.839 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000252517729 367741691 /nfs/dbraw/zinc/74/16/91/367741691.db2.gz PYYKMKAJZAWCMR-AVGNSLFASA-N 2 1 291.361 1.839 50 0 CDAAMP [NH3+]CCC[N@H+](CCN1CCOCC1)Cc1cccs1 ZINC000045796282 175383896 /nfs/dbraw/zinc/38/38/96/175383896.db2.gz VRRNYYRTPULFLD-UHFFFAOYSA-N 2 1 283.441 1.231 50 0 CDAAMP [NH3+]CCC[N@@H+](CCN1CCOCC1)Cc1cccs1 ZINC000045796282 175383897 /nfs/dbraw/zinc/38/38/97/175383897.db2.gz VRRNYYRTPULFLD-UHFFFAOYSA-N 2 1 283.441 1.231 50 0 CDAAMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[NH2+]1 ZINC000246668675 280297684 /nfs/dbraw/zinc/29/76/84/280297684.db2.gz FFVDZFSBPSKDOB-GUTXKFCHSA-N 2 1 275.396 1.498 50 0 CDAAMP C[C@@H]1COCCN1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000242197044 288342017 /nfs/dbraw/zinc/34/20/17/288342017.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCCN1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000242197044 288342021 /nfs/dbraw/zinc/34/20/21/288342021.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCCN1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000242197044 288342023 /nfs/dbraw/zinc/34/20/23/288342023.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCCN1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000242197044 288342026 /nfs/dbraw/zinc/34/20/26/288342026.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCC[N@@H+]1CCN(C)CC[C@H]1CCCC[NH+]1C ZINC000242197044 288342028 /nfs/dbraw/zinc/34/20/28/288342028.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCC[N@H+]1CCN(C)CC[C@H]1CCCC[NH+]1C ZINC000242197044 288342031 /nfs/dbraw/zinc/34/20/31/288342031.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCC[NH+]1CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000242197044 288342033 /nfs/dbraw/zinc/34/20/33/288342033.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP C[C@@H]1COCC[NH+]1CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000242197044 288342035 /nfs/dbraw/zinc/34/20/35/288342035.db2.gz XHHTUCHDLQGMMP-HZPDHXFCSA-N 2 1 283.460 1.513 50 0 CDAAMP Cc1c[nH]c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1=O ZINC000534661143 328349055 /nfs/dbraw/zinc/34/90/55/328349055.db2.gz SATDPOMUBXNKBF-UHFFFAOYSA-N 2 1 275.396 1.567 50 0 CDAAMP OC[C@@H]1CCC[N@@H+](CCCNc2ncnc3[nH]ccc32)C1 ZINC000670461565 483045128 /nfs/dbraw/zinc/04/51/28/483045128.db2.gz MUNKBOWPMYYTNF-GFCCVEGCSA-N 2 1 289.383 1.416 50 0 CDAAMP OC[C@@H]1CCC[N@H+](CCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670461565 483045133 /nfs/dbraw/zinc/04/51/33/483045133.db2.gz MUNKBOWPMYYTNF-GFCCVEGCSA-N 2 1 289.383 1.416 50 0 CDAAMP OC[C@@H]1CCC[N@@H+](CCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670461565 483045140 /nfs/dbraw/zinc/04/51/40/483045140.db2.gz MUNKBOWPMYYTNF-GFCCVEGCSA-N 2 1 289.383 1.416 50 0 CDAAMP C[C@@H]1CC[C@H]([NH3+])[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]1 ZINC000757216098 577036449 /nfs/dbraw/zinc/03/64/49/577036449.db2.gz XPGJYWYAEPVISB-UVOCVTCTSA-N 2 1 265.323 1.385 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCCOC1CC[NH+](C)CC1 ZINC000823764923 925727228 /nfs/dbraw/zinc/72/72/28/925727228.db2.gz OYLXZTCLCUNOHO-CQSZACIVSA-N 3 1 294.443 1.671 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC001506431460 975161780 /nfs/dbraw/zinc/16/17/80/975161780.db2.gz LCDZPFHJZBGYLL-UHFFFAOYSA-N 2 1 295.818 1.943 50 0 CDAAMP Cn1ncc2c1CCC[N@H+](C[C@@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940799 539045877 /nfs/dbraw/zinc/04/58/77/539045877.db2.gz VMGXTLUEHMTDIL-UONOGXRCSA-N 2 1 292.427 1.170 50 0 CDAAMP Cn1ncc2c1CCC[N@@H+](C[C@@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940799 539045878 /nfs/dbraw/zinc/04/58/78/539045878.db2.gz VMGXTLUEHMTDIL-UONOGXRCSA-N 2 1 292.427 1.170 50 0 CDAAMP CC[N@@H+](C)C[C@H](C)CNc1nc(N)[nH+]c(C)c1C ZINC000091518849 180177401 /nfs/dbraw/zinc/17/74/01/180177401.db2.gz NNPXTWJQIUJPFW-SECBINFHSA-N 2 1 251.378 1.675 50 0 CDAAMP [NH3+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000054957118 357327594 /nfs/dbraw/zinc/32/75/94/357327594.db2.gz ZPNZUPSDZRZGKY-UHFFFAOYSA-N 2 1 253.777 1.811 50 0 CDAAMP CCn1cc(CN(C)C[C@H]2CC[N@@H+](CCOC)C2)cn1 ZINC000097532341 358782177 /nfs/dbraw/zinc/78/21/77/358782177.db2.gz ADKAZLIEYUEZAJ-CQSZACIVSA-N 2 1 280.416 1.303 50 0 CDAAMP CC(C)[C@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215306220 358883331 /nfs/dbraw/zinc/88/33/31/358883331.db2.gz HZXJBHKVVUVUJI-OAHLLOKOSA-N 2 1 260.385 1.773 50 0 CDAAMP CC(C)[C@H]1C=CC[N@H+]1Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215306220 358883335 /nfs/dbraw/zinc/88/33/35/358883335.db2.gz HZXJBHKVVUVUJI-OAHLLOKOSA-N 2 1 260.385 1.773 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[C@@H]2CCCC[N@H+]2C)c1C ZINC000426388109 360662542 /nfs/dbraw/zinc/66/25/42/360662542.db2.gz DJIBSRQVDVSMCS-AWEZNQCLSA-N 2 1 278.400 1.491 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[C@@H]2CCCC[N@@H+]2C)c1C ZINC000426388109 360662546 /nfs/dbraw/zinc/66/25/46/360662546.db2.gz DJIBSRQVDVSMCS-AWEZNQCLSA-N 2 1 278.400 1.491 50 0 CDAAMP O=C([C@H]1CCC[N@H+]1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509749 367660818 /nfs/dbraw/zinc/66/08/18/367660818.db2.gz YUUIEZRCQDSMRA-CQSZACIVSA-N 2 1 297.468 1.026 50 0 CDAAMP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012205930 391412347 /nfs/dbraw/zinc/41/23/47/391412347.db2.gz PEXVNUNEIOBZQA-CYBMUJFWSA-N 2 1 267.417 1.317 50 0 CDAAMP CC(C)NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012205930 391412349 /nfs/dbraw/zinc/41/23/49/391412349.db2.gz PEXVNUNEIOBZQA-CYBMUJFWSA-N 2 1 267.417 1.317 50 0 CDAAMP C[NH2+]CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648040 131246364 /nfs/dbraw/zinc/24/63/64/131246364.db2.gz PMGFVAIOALYKQM-UKRRQHHQSA-N 2 1 275.396 1.375 50 0 CDAAMP [NH3+]Cc1nnc(NC[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001772708183 1159442414 /nfs/dbraw/zinc/44/24/14/1159442414.db2.gz FACGUEIEIYNNIL-LLVKDONJSA-N 2 1 279.388 1.595 50 0 CDAAMP [NH3+]Cc1nnc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001772708183 1159442418 /nfs/dbraw/zinc/44/24/18/1159442418.db2.gz FACGUEIEIYNNIL-LLVKDONJSA-N 2 1 279.388 1.595 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1CCC[N@H+](CCOC)C1 ZINC001704336239 1177693808 /nfs/dbraw/zinc/69/38/08/1177693808.db2.gz WPXCZRMOAAGKJC-LBPRGKRZSA-N 2 1 293.415 1.392 50 0 CDAAMP CCc1c[nH+]c(N)nc1NC[C@@H]1CCC[N@@H+](CCOC)C1 ZINC001704336239 1177693819 /nfs/dbraw/zinc/69/38/19/1177693819.db2.gz WPXCZRMOAAGKJC-LBPRGKRZSA-N 2 1 293.415 1.392 50 0 CDAAMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000381295098 736340751 /nfs/dbraw/zinc/34/07/51/736340751.db2.gz KZHBSTWDZQNFBX-AGIUHOORSA-N 2 1 288.313 1.584 50 0 CDAAMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000381295098 736340761 /nfs/dbraw/zinc/34/07/61/736340761.db2.gz KZHBSTWDZQNFBX-AGIUHOORSA-N 2 1 288.313 1.584 50 0 CDAAMP COCC1(C[NH2+][C@@H](C)Cn2cc[nH+]c2C)CCC1 ZINC000824346796 925816557 /nfs/dbraw/zinc/81/65/57/925816557.db2.gz FFJFGGIWPWRFHE-LBPRGKRZSA-N 2 1 251.374 1.986 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@@H]1CCN(c3ccccc3)C1)C2 ZINC001506400449 975148833 /nfs/dbraw/zinc/14/88/33/975148833.db2.gz VGXKAHZYEKFHFU-WTTBNOFXSA-N 2 1 271.408 1.934 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1cnn(C)c1 ZINC000584892857 349352970 /nfs/dbraw/zinc/35/29/70/349352970.db2.gz ATELRMKCNHHZDE-LBPRGKRZSA-N 2 1 261.373 1.400 50 0 CDAAMP COCCCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCC2)CC1 ZINC000584901060 349363309 /nfs/dbraw/zinc/36/33/09/349363309.db2.gz SZENDMJJYAEVKT-OAHLLOKOSA-N 2 1 297.443 1.042 50 0 CDAAMP CCc1c(C)[nH+]c(N)nc1NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000091426972 180152299 /nfs/dbraw/zinc/15/22/99/180152299.db2.gz WCULDFLVNNAYGI-GFCCVEGCSA-N 2 1 293.415 1.046 50 0 CDAAMP CCc1ccccc1OCCOCC[NH2+]CC[NH3+] ZINC000019772613 356501939 /nfs/dbraw/zinc/50/19/39/356501939.db2.gz GLJGVWIBJFALNK-UHFFFAOYSA-N 2 1 252.358 1.193 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CNc1cc(CC[NH3+])nc(C)n1 ZINC000067966788 357640654 /nfs/dbraw/zinc/64/06/54/357640654.db2.gz DKVIHULQEBBUFP-CYBMUJFWSA-N 2 1 263.389 1.182 50 0 CDAAMP CCCCNC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000097200491 358188634 /nfs/dbraw/zinc/18/86/34/358188634.db2.gz ZDNFSDBTCQCAQC-CQSZACIVSA-N 2 1 290.411 1.732 50 0 CDAAMP Cc1[nH+]c(N)nc(N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+](C)C)c1Cl ZINC000223198407 359407815 /nfs/dbraw/zinc/40/78/15/359407815.db2.gz PZOHCIJEFRTQOD-APHKKCJPSA-N 2 1 297.790 1.150 50 0 CDAAMP OCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122601 /nfs/dbraw/zinc/12/26/01/374122601.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122607 /nfs/dbraw/zinc/12/26/07/374122607.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122611 /nfs/dbraw/zinc/12/26/11/374122611.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 2 1 252.402 1.565 50 0 CDAAMP CCOc1cccc(OCCCC[NH2+]CC[NH3+])c1 ZINC000039960850 174179867 /nfs/dbraw/zinc/17/98/67/174179867.db2.gz JZOZJKPAPHHFJU-UHFFFAOYSA-N 2 1 252.358 1.793 50 0 CDAAMP [NH3+]CCc1cccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1 ZINC000071759554 176261509 /nfs/dbraw/zinc/26/15/09/176261509.db2.gz AVWLCQPMKZFPGX-ZYGGUILKSA-N 2 1 272.392 1.797 50 0 CDAAMP CCc1cc(N[C@@H](C)C2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000396454997 328450668 /nfs/dbraw/zinc/45/06/68/328450668.db2.gz MDGMKKUGDPFSAG-NSHDSACASA-N 2 1 262.401 1.912 50 0 CDAAMP C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[C@H]1[NH3+] ZINC000757216305 574908069 /nfs/dbraw/zinc/90/80/69/574908069.db2.gz ZLMYRHUJGGZDCW-SAVGLBRCSA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@@H]1[NH3+] ZINC000757216244 574908385 /nfs/dbraw/zinc/90/83/85/574908385.db2.gz ZLMYRHUJGGZDCW-ISUQUUIWSA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@@H]1C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C[C@@H]1[NH3+] ZINC000757210043 577036440 /nfs/dbraw/zinc/03/64/40/577036440.db2.gz HQFSEQAUFRVGQX-NZFPMDFQSA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@@H](Cn1ccnc1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486102 738950120 /nfs/dbraw/zinc/95/01/20/738950120.db2.gz JHDYFXPWLZWMEL-HNNXBMFYSA-N 2 1 291.443 1.031 50 0 CDAAMP CC(C)[NH2+]CCN1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000193481581 362922414 /nfs/dbraw/zinc/92/24/14/362922414.db2.gz OIGZBKKQNGCYEP-CQSZACIVSA-N 2 1 264.417 1.673 50 0 CDAAMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000299738850 283059788 /nfs/dbraw/zinc/05/97/88/283059788.db2.gz HIFOSNHLGVMIIQ-BFHYXJOUSA-N 2 1 267.417 1.304 50 0 CDAAMP [NH3+]CC[NH2+]CCCOc1cccc(Br)c1 ZINC000020118395 356526259 /nfs/dbraw/zinc/52/62/59/356526259.db2.gz LEKXQZORWSSDJT-UHFFFAOYSA-N 2 1 273.174 1.766 50 0 CDAAMP C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000065460515 357543106 /nfs/dbraw/zinc/54/31/06/357543106.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 2 1 262.397 1.823 50 0 CDAAMP C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000065460515 357543109 /nfs/dbraw/zinc/54/31/09/357543109.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 2 1 262.397 1.823 50 0 CDAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065460515 357543115 /nfs/dbraw/zinc/54/31/15/357543115.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 2 1 262.397 1.823 50 0 CDAAMP C[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000065460515 357543118 /nfs/dbraw/zinc/54/31/18/357543118.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 2 1 262.397 1.823 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000299745198 357702295 /nfs/dbraw/zinc/70/22/95/357702295.db2.gz WMBXMTMCVVIIKV-LSDHHAIUSA-N 2 1 293.455 1.851 50 0 CDAAMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523356 283322490 /nfs/dbraw/zinc/32/24/90/283322490.db2.gz RGTXIGOLOJSJPJ-KGLIPLIRSA-N 2 1 267.417 1.319 50 0 CDAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N2CCCC2)C1 ZINC000090004525 367007000 /nfs/dbraw/zinc/00/70/00/367007000.db2.gz JUIJUXWVRMAINN-CQSZACIVSA-N 2 1 290.411 1.297 50 0 CDAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000090004525 367007007 /nfs/dbraw/zinc/00/70/07/367007007.db2.gz JUIJUXWVRMAINN-CQSZACIVSA-N 2 1 290.411 1.297 50 0 CDAAMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000253429434 373736146 /nfs/dbraw/zinc/73/61/46/373736146.db2.gz DCBFMUJMKJSCRA-GASCZTMLSA-N 2 1 262.401 1.766 50 0 CDAAMP O=C(NC[C@H]1CCC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000097229969 375156321 /nfs/dbraw/zinc/15/63/21/375156321.db2.gz DUXYZAIHGIUZEG-HIFRSBDPSA-N 2 1 279.428 1.509 50 0 CDAAMP C[C@H](CN1CC[NH+](C)CC1)[N@@H+]1CCC2(CCCC2)C1 ZINC000670471043 483072957 /nfs/dbraw/zinc/07/29/57/483072957.db2.gz HDHQZPCYPJBNBZ-OAHLLOKOSA-N 2 1 265.445 1.888 50 0 CDAAMP C[C@H](CN1CC[NH+](C)CC1)[N@H+]1CCC2(CCCC2)C1 ZINC000670471043 483072962 /nfs/dbraw/zinc/07/29/62/483072962.db2.gz HDHQZPCYPJBNBZ-OAHLLOKOSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000263241466 285384465 /nfs/dbraw/zinc/38/44/65/285384465.db2.gz ORPMDLQGPOTXDM-ZBFHGGJFSA-N 2 1 295.471 1.955 50 0 CDAAMP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739309 279133992 /nfs/dbraw/zinc/13/39/92/279133992.db2.gz NFYBWFJPNXYVLH-MCIONIFRSA-N 2 1 269.433 1.549 50 0 CDAAMP Cc1ccccc1N1CCC[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000102266457 281346704 /nfs/dbraw/zinc/34/67/04/281346704.db2.gz SRAXSYTWOAFOMR-FVQHAEBGSA-N 2 1 285.435 1.973 50 0 CDAAMP CN1CCC[N@@H+](C[C@@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666305 328345235 /nfs/dbraw/zinc/34/52/35/328345235.db2.gz LXFWJZBRVOPZAI-HNNXBMFYSA-N 2 1 281.444 1.173 50 0 CDAAMP COc1ccnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1OC ZINC000534670767 328347311 /nfs/dbraw/zinc/34/73/11/328347311.db2.gz FKJUISQNCZSUHA-UHFFFAOYSA-N 2 1 291.395 1.674 50 0 CDAAMP C[NH2+]Cc1nnc(NCC2([NH+](C)C)CCCCC2)o1 ZINC001772705404 1159439907 /nfs/dbraw/zinc/43/99/07/1159439907.db2.gz MWAOPGUICINUIU-UHFFFAOYSA-N 2 1 267.377 1.465 50 0 CDAAMP O[C@@]1(C[N@@H+](Cc2ccccn2)C2CCCCC2)CC[NH2+]C1 ZINC000072437939 742627400 /nfs/dbraw/zinc/62/74/00/742627400.db2.gz QHPVLAKIWBTSOF-KRWDZBQOSA-N 2 1 289.423 1.941 50 0 CDAAMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H](O)CC1(O)CCC1 ZINC000952877061 910434125 /nfs/dbraw/zinc/43/41/25/910434125.db2.gz LHJCHPUGDKXFFD-MRXNPFEDSA-N 2 1 292.423 1.503 50 0 CDAAMP C[NH+]1CCC2(CC[N@H+](Cc3nnnn3C(C)(C)C)C2)CC1 ZINC000585116496 362044893 /nfs/dbraw/zinc/04/48/93/362044893.db2.gz YPNLUBGNNUCDMB-UHFFFAOYSA-N 2 1 292.431 1.346 50 0 CDAAMP C[NH+]1CCC2(CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)CC1 ZINC000585116496 362044899 /nfs/dbraw/zinc/04/48/99/362044899.db2.gz YPNLUBGNNUCDMB-UHFFFAOYSA-N 2 1 292.431 1.346 50 0 CDAAMP CNc1ccnc(N2CCC[N@@H+](CC(C)C)CC2)n1 ZINC000065488870 357544357 /nfs/dbraw/zinc/54/43/57/357544357.db2.gz IDFIDPJHPQZTKI-UHFFFAOYSA-N 2 1 263.389 1.686 50 0 CDAAMP CCCCNC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200492 358188744 /nfs/dbraw/zinc/18/87/44/358188744.db2.gz ZDNFSDBTCQCAQC-AWEZNQCLSA-N 2 1 290.411 1.732 50 0 CDAAMP O=C([C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126677 296014766 /nfs/dbraw/zinc/01/47/66/296014766.db2.gz WAZAWKDZOGTZBO-CYBMUJFWSA-N 2 1 265.401 1.073 50 0 CDAAMP c1cc2nonc2c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000426547647 360682960 /nfs/dbraw/zinc/68/29/60/360682960.db2.gz QUOIUOMEEXTGNE-UHFFFAOYSA-N 2 1 272.352 1.798 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000252517730 367741777 /nfs/dbraw/zinc/74/17/77/367741777.db2.gz PYYKMKAJZAWCMR-RWMBFGLXSA-N 2 1 291.361 1.839 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000252517730 367741781 /nfs/dbraw/zinc/74/17/81/367741781.db2.gz PYYKMKAJZAWCMR-RWMBFGLXSA-N 2 1 291.361 1.839 50 0 CDAAMP CCc1noc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000089295384 377812377 /nfs/dbraw/zinc/81/23/77/377812377.db2.gz NOSAIBFTFXGWJO-UHFFFAOYSA-N 2 1 252.362 1.406 50 0 CDAAMP CCc1noc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000089295384 377812386 /nfs/dbraw/zinc/81/23/86/377812386.db2.gz NOSAIBFTFXGWJO-UHFFFAOYSA-N 2 1 252.362 1.406 50 0 CDAAMP CC(C)[NH+]1CCC([N@@H+](C)CCOC[C@@H]2CCCO2)CC1 ZINC000096421088 390514144 /nfs/dbraw/zinc/51/41/44/390514144.db2.gz IIHREBQRRIHVLQ-INIZCTEOSA-N 2 1 284.444 1.987 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CC1(CN2CCOCC2)CC1 ZINC000534658727 328341400 /nfs/dbraw/zinc/34/14/00/328341400.db2.gz JEEMYSNGHQWMQF-CQSZACIVSA-N 2 1 292.427 1.282 50 0 CDAAMP CCOC(=O)N1CCC([N@@H+]2CCCC[C@H]([NH3+])C2)CC1 ZINC000082136932 482763495 /nfs/dbraw/zinc/76/34/95/482763495.db2.gz QEHOKQVYVNWBJP-LBPRGKRZSA-N 2 1 269.389 1.421 50 0 CDAAMP CCOC(=O)N1CCC([N@H+]2CCCC[C@H]([NH3+])C2)CC1 ZINC000082136932 482763500 /nfs/dbraw/zinc/76/35/00/482763500.db2.gz QEHOKQVYVNWBJP-LBPRGKRZSA-N 2 1 269.389 1.421 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@@H](C)C[NH+]2CCCC2)c1C ZINC000670452327 483018991 /nfs/dbraw/zinc/01/89/91/483018991.db2.gz AGOIDFBMIGSEBM-LBPRGKRZSA-N 2 1 278.400 1.348 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@H](C)C[NH+]2CCCC2)c1C ZINC000670452326 483019315 /nfs/dbraw/zinc/01/93/15/483019315.db2.gz AGOIDFBMIGSEBM-GFCCVEGCSA-N 2 1 278.400 1.348 50 0 CDAAMP COCC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426372 975160454 /nfs/dbraw/zinc/16/04/54/975160454.db2.gz GNWJAIRXXJTYJV-AWEZNQCLSA-N 2 1 278.400 1.233 50 0 CDAAMP COCC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426372 975160458 /nfs/dbraw/zinc/16/04/58/975160458.db2.gz GNWJAIRXXJTYJV-AWEZNQCLSA-N 2 1 278.400 1.233 50 0 CDAAMP CC(C)(C[NH2+][C@@H]1CCNC(=O)CC1)[NH+]1CCCC1 ZINC000584897078 349357996 /nfs/dbraw/zinc/35/79/96/349357996.db2.gz DZEYVTNXSDSKHU-LBPRGKRZSA-N 2 1 253.390 1.119 50 0 CDAAMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436181 357472392 /nfs/dbraw/zinc/47/23/92/357472392.db2.gz WYSLSWFNDCYREB-KGLIPLIRSA-N 2 1 267.417 1.319 50 0 CDAAMP CN1CCC[N@@H+](C)CC12CC[NH+](Cc1ccoc1)CC2 ZINC000215214350 358878675 /nfs/dbraw/zinc/87/86/75/358878675.db2.gz GDDVDBMRDDNUSM-UHFFFAOYSA-N 2 1 277.412 1.882 50 0 CDAAMP COCC[N@H+]1CC[C@@H](CN(C)Cc2cc(C)no2)C1 ZINC000216377847 358941800 /nfs/dbraw/zinc/94/18/00/358941800.db2.gz ZEVGWOZNENZGJA-ZDUSSCGKSA-N 2 1 267.373 1.383 50 0 CDAAMP [NH3+]C1CC(c2cc(NCCCc3[nH]cc[nH+]3)ncn2)C1 ZINC000220656868 359188420 /nfs/dbraw/zinc/18/84/20/359188420.db2.gz BBMJFLNRBUOALK-UHFFFAOYSA-N 2 1 272.356 1.449 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)C[NH+]1CCC2(CC1)OCCO2 ZINC000089735532 366922324 /nfs/dbraw/zinc/92/23/24/366922324.db2.gz CGIBOHIAVXHNFO-ZDUSSCGKSA-N 2 1 279.384 1.667 50 0 CDAAMP OCCCC[N@H+](CC1=CSC2=NCCCN12)C1CC1 ZINC000102733294 373713116 /nfs/dbraw/zinc/71/31/16/373713116.db2.gz BHIRZPIKZDFKCO-UHFFFAOYSA-N 2 1 281.425 1.873 50 0 CDAAMP OCCCC[N@@H+](CC1=CSC2=NCCCN12)C1CC1 ZINC000102733294 373713125 /nfs/dbraw/zinc/71/31/25/373713125.db2.gz BHIRZPIKZDFKCO-UHFFFAOYSA-N 2 1 281.425 1.873 50 0 CDAAMP CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424715 390516272 /nfs/dbraw/zinc/51/62/72/390516272.db2.gz VOJUROBBYILNPW-ZACQAIPSSA-N 2 1 298.471 1.705 50 0 CDAAMP CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424715 390516277 /nfs/dbraw/zinc/51/62/77/390516277.db2.gz VOJUROBBYILNPW-ZACQAIPSSA-N 2 1 298.471 1.705 50 0 CDAAMP [NH3+]C1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000011729524 170434235 /nfs/dbraw/zinc/43/42/35/170434235.db2.gz HRBIZTJAMVKWIO-ZDUSSCGKSA-N 2 1 254.761 1.797 50 0 CDAAMP CCCc1cc(NC[C@H]2C[NH2+]CCOC2)nc(C)[nH+]1 ZINC000072130637 176321272 /nfs/dbraw/zinc/32/12/72/176321272.db2.gz FCOIJBIDKMPSPY-GFCCVEGCSA-N 2 1 264.373 1.385 50 0 CDAAMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749176 276201379 /nfs/dbraw/zinc/20/13/79/276201379.db2.gz MTRDMPWNQROHFW-CABCVRRESA-N 2 1 283.485 1.451 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCCCC[N@H+]2C)c1C ZINC000670437227 482976476 /nfs/dbraw/zinc/97/64/76/482976476.db2.gz PZMKJRQJKFJJAI-AWEZNQCLSA-N 2 1 278.400 1.491 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@@H]2CCCCC[N@@H+]2C)c1C ZINC000670437227 482976479 /nfs/dbraw/zinc/97/64/79/482976479.db2.gz PZMKJRQJKFJJAI-AWEZNQCLSA-N 2 1 278.400 1.491 50 0 CDAAMP COCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000083877877 483216042 /nfs/dbraw/zinc/21/60/42/483216042.db2.gz MUFPQOBJDLKDNE-HNNXBMFYSA-N 2 1 297.443 1.042 50 0 CDAAMP COCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000083877877 483216047 /nfs/dbraw/zinc/21/60/47/483216047.db2.gz MUFPQOBJDLKDNE-HNNXBMFYSA-N 2 1 297.443 1.042 50 0 CDAAMP CCn1nnc(C)c1C[N@H+]1CC[C@H](CC[NH+](C)C)C1 ZINC000952880298 910441637 /nfs/dbraw/zinc/44/16/37/910441637.db2.gz CIFPFWKNCSBTSY-ZDUSSCGKSA-N 2 1 265.405 1.380 50 0 CDAAMP C[C@@H](C[NH+]1CCCCCC1)N1CCC[N@@H+](C)CC1 ZINC001506405612 975152053 /nfs/dbraw/zinc/15/20/53/975152053.db2.gz VSYVRPQTYKBJEK-HNNXBMFYSA-N 2 1 253.434 1.888 50 0 CDAAMP C[C@H]1C[C@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C ZINC000585139877 342218594 /nfs/dbraw/zinc/21/85/94/342218594.db2.gz GXSHNWUNOQWPRM-CMPLNLGQSA-N 2 1 274.368 1.841 50 0 CDAAMP C[C@H]1C[C@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@H+]1C ZINC000585139877 342218595 /nfs/dbraw/zinc/21/85/95/342218595.db2.gz GXSHNWUNOQWPRM-CMPLNLGQSA-N 2 1 274.368 1.841 50 0 CDAAMP Cc1nc(N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cc(N)[nH+]1 ZINC000095376416 358689498 /nfs/dbraw/zinc/68/94/98/358689498.db2.gz HWVYOBZWQNTVGU-ZIAGYGMSSA-N 2 1 287.411 1.678 50 0 CDAAMP CN(C[C@H]1Cc2ccccc2C[N@H+]1C)c1nccc(N)n1 ZINC000095511008 358696537 /nfs/dbraw/zinc/69/65/37/358696537.db2.gz HAXDTGYPIMFZIP-CQSZACIVSA-N 2 1 283.379 1.552 50 0 CDAAMP CCN1CC[C@H]2C[N@@H+](CC(C)C)C[C@@]2(c2nc(C)no2)C1 ZINC000257194140 359608430 /nfs/dbraw/zinc/60/84/30/359608430.db2.gz SQQCOUFJPUSQQA-HOCLYGCPSA-N 2 1 292.427 1.929 50 0 CDAAMP [NH3+]CCc1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000094440582 359786884 /nfs/dbraw/zinc/78/68/84/359786884.db2.gz NCSRZYPYRWMPGG-QGZVFWFLSA-N 2 1 273.424 1.858 50 0 CDAAMP [NH3+]CCc1ccc(C[N@H+]2CCN3CCCC[C@@H]3C2)cc1 ZINC000094440582 359786894 /nfs/dbraw/zinc/78/68/94/359786894.db2.gz NCSRZYPYRWMPGG-QGZVFWFLSA-N 2 1 273.424 1.858 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1O ZINC000670460102 483042574 /nfs/dbraw/zinc/04/25/74/483042574.db2.gz HWWMTSALUBALAW-FUHWJXTLSA-N 2 1 299.418 1.979 50 0 CDAAMP COCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000083877874 483216133 /nfs/dbraw/zinc/21/61/33/483216133.db2.gz MUFPQOBJDLKDNE-OAHLLOKOSA-N 2 1 297.443 1.042 50 0 CDAAMP COCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000083877874 483216139 /nfs/dbraw/zinc/21/61/39/483216139.db2.gz MUFPQOBJDLKDNE-OAHLLOKOSA-N 2 1 297.443 1.042 50 0 CDAAMP C[NH2+]Cc1nnc(NCCC[N@H+](C)C2CCCC2)o1 ZINC001772702817 1159437696 /nfs/dbraw/zinc/43/76/96/1159437696.db2.gz DZBVKKYERDZPDQ-UHFFFAOYSA-N 2 1 267.377 1.465 50 0 CDAAMP C[NH2+]Cc1nnc(NCCC[N@@H+](C)C2CCCC2)o1 ZINC001772702817 1159437699 /nfs/dbraw/zinc/43/76/99/1159437699.db2.gz DZBVKKYERDZPDQ-UHFFFAOYSA-N 2 1 267.377 1.465 50 0 CDAAMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000863984335 758159473 /nfs/dbraw/zinc/15/94/73/758159473.db2.gz TUPFNXOWQJVBLQ-BNGAQMRFSA-N 2 1 280.437 1.885 50 0 CDAAMP CC[C@@H]1CN(CCc2[nH+]ccn2C)CC[N@@H+]1C(C)C ZINC001506403743 975150545 /nfs/dbraw/zinc/15/05/45/975150545.db2.gz VLZTZPGOORSXOQ-CQSZACIVSA-N 2 1 264.417 1.767 50 0 CDAAMP CC[C@@H]1CN(CCc2[nH+]ccn2C)CC[N@H+]1C(C)C ZINC001506403743 975150546 /nfs/dbraw/zinc/15/05/46/975150546.db2.gz VLZTZPGOORSXOQ-CQSZACIVSA-N 2 1 264.417 1.767 50 0 CDAAMP Cc1ccc(C)c(OCCOCC[NH2+]CC[NH3+])c1 ZINC000019772336 356501144 /nfs/dbraw/zinc/50/11/44/356501144.db2.gz DDUAKWWIGIGYEN-UHFFFAOYSA-N 2 1 252.358 1.247 50 0 CDAAMP C[NH+](C)CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000097104314 357968635 /nfs/dbraw/zinc/96/86/35/357968635.db2.gz VFSUSSSNVBHBKJ-UHFFFAOYSA-N 2 1 292.383 1.055 50 0 CDAAMP CCCNC(=O)[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000241316733 376019061 /nfs/dbraw/zinc/01/90/61/376019061.db2.gz LULCOYMQYGPPGL-XQLPTFJDSA-N 2 1 279.428 1.317 50 0 CDAAMP CN(Cc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000034687707 390404837 /nfs/dbraw/zinc/40/48/37/390404837.db2.gz VNUMNIZCILEGHP-UHFFFAOYSA-N 2 1 276.380 1.984 50 0 CDAAMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000058552781 175626613 /nfs/dbraw/zinc/62/66/13/175626613.db2.gz PHXVKWMIDYPWTF-CYBMUJFWSA-N 2 1 267.417 1.509 50 0 CDAAMP [NH3+]C[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C[NH2+]1 ZINC000757211922 574906576 /nfs/dbraw/zinc/90/65/76/574906576.db2.gz JJIVXKCAOKVNDZ-VLEAKVRGSA-N 2 1 265.323 1.244 50 0 CDAAMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000108080071 186203269 /nfs/dbraw/zinc/20/32/69/186203269.db2.gz FDKWJESCJJZBQU-ZIAGYGMSSA-N 2 1 298.452 1.509 50 0 CDAAMP [NH3+][C@@H]1CC[C@H](C(=O)NCCC2=CSC3=[NH+]CCCN23)C1 ZINC000102553732 358882122 /nfs/dbraw/zinc/88/21/22/358882122.db2.gz PMOXOLKKZQGNKI-WDEREUQCSA-N 2 1 294.424 1.270 50 0 CDAAMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCSC3)C2)CC1 ZINC000375749178 370951972 /nfs/dbraw/zinc/95/19/72/370951972.db2.gz MTRDMPWNQROHFW-HUUCEWRRSA-N 2 1 283.485 1.451 50 0 CDAAMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756875 372744905 /nfs/dbraw/zinc/74/49/05/372744905.db2.gz IGBIADUEVDGXDI-ZXFNITATSA-N 2 1 299.418 1.709 50 0 CDAAMP C[N@@H+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CC1 ZINC000089374834 377848065 /nfs/dbraw/zinc/84/80/65/377848065.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 2 1 294.443 1.395 50 0 CDAAMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000089374834 377848071 /nfs/dbraw/zinc/84/80/71/377848071.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 2 1 294.443 1.395 50 0 CDAAMP C[NH+](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000089374834 377848079 /nfs/dbraw/zinc/84/80/79/377848079.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 2 1 294.443 1.395 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012574533 277027237 /nfs/dbraw/zinc/02/72/37/277027237.db2.gz DYTPRJZEWBJYCO-LBPRGKRZSA-N 2 1 265.401 1.071 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000012574533 277027238 /nfs/dbraw/zinc/02/72/38/277027238.db2.gz DYTPRJZEWBJYCO-LBPRGKRZSA-N 2 1 265.401 1.071 50 0 CDAAMP Cc1cc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc(C)[nH+]1 ZINC000072146124 482451446 /nfs/dbraw/zinc/45/14/46/482451446.db2.gz AOAGKSJTTSTKTD-OAHLLOKOSA-N 3 1 274.412 1.430 50 0 CDAAMP C[C@@H]1[NH2+][C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)CC[C@H]1[NH3+] ZINC000757211870 574906518 /nfs/dbraw/zinc/90/65/18/574906518.db2.gz KQKXTGCKNQULAL-GEVSDDDWSA-N 2 1 265.323 1.385 50 0 CDAAMP CC(C)[N@H+]1CCC[C@@H](C[NH+](C)CCn2cnnc2)C1 ZINC000823688778 925720393 /nfs/dbraw/zinc/72/03/93/925720393.db2.gz RHKQVJTZWXSQMS-AWEZNQCLSA-N 2 1 265.405 1.330 50 0 CDAAMP CC(C)[NH+]1CCC[C@@H](C[N@H+](C)CCn2cnnc2)C1 ZINC000823688778 925720401 /nfs/dbraw/zinc/72/04/01/925720401.db2.gz RHKQVJTZWXSQMS-AWEZNQCLSA-N 2 1 265.405 1.330 50 0 CDAAMP CC(C)[NH+]1CCC[C@@H](C[N@@H+](C)CCn2cnnc2)C1 ZINC000823688778 925720407 /nfs/dbraw/zinc/72/04/07/925720407.db2.gz RHKQVJTZWXSQMS-AWEZNQCLSA-N 2 1 265.405 1.330 50 0 CDAAMP Cn1ccnc1CC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001506424943 975159484 /nfs/dbraw/zinc/15/94/84/975159484.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 2 1 276.428 1.770 50 0 CDAAMP Cn1ccnc1CC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001506424943 975159486 /nfs/dbraw/zinc/15/94/86/975159486.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 2 1 276.428 1.770 50 0 CDAAMP Cn1ccnc1CC[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001506424943 975159492 /nfs/dbraw/zinc/15/94/92/975159492.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 2 1 276.428 1.770 50 0 CDAAMP CC[C@@H](CNc1cc(C)[nH+]c(C)c1)[NH+]1CCOCC1 ZINC000584902966 341987072 /nfs/dbraw/zinc/98/70/72/341987072.db2.gz IUACUWHTPDRWMI-HNNXBMFYSA-N 2 1 263.385 1.643 50 0 CDAAMP CCC(O)(CC)C[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000195553353 342626837 /nfs/dbraw/zinc/62/68/37/342626837.db2.gz MXLLXSXRVMEAPU-INIZCTEOSA-N 2 1 297.487 1.639 50 0 CDAAMP CCC(O)(CC)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000195553353 342626838 /nfs/dbraw/zinc/62/68/38/342626838.db2.gz MXLLXSXRVMEAPU-INIZCTEOSA-N 2 1 297.487 1.639 50 0 CDAAMP CCC(O)(CC)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000195553353 342626839 /nfs/dbraw/zinc/62/68/39/342626839.db2.gz MXLLXSXRVMEAPU-INIZCTEOSA-N 2 1 297.487 1.639 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000091616656 180208569 /nfs/dbraw/zinc/20/85/69/180208569.db2.gz XNIZGCGQTHJELH-LLVKDONJSA-N 2 1 263.389 1.901 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000091616656 180208572 /nfs/dbraw/zinc/20/85/72/180208572.db2.gz XNIZGCGQTHJELH-LLVKDONJSA-N 2 1 263.389 1.901 50 0 CDAAMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000019225406 356477812 /nfs/dbraw/zinc/47/78/12/356477812.db2.gz ZCFWWTKTZWQHDT-CYBMUJFWSA-N 2 1 279.428 1.461 50 0 CDAAMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000019225406 356477815 /nfs/dbraw/zinc/47/78/15/356477815.db2.gz ZCFWWTKTZWQHDT-CYBMUJFWSA-N 2 1 279.428 1.461 50 0 CDAAMP Cc1cc(C)cc(OCCOCC[NH2+]CC[NH3+])c1 ZINC000019772434 356501238 /nfs/dbraw/zinc/50/12/38/356501238.db2.gz UGGKKZVHUKGVAM-UHFFFAOYSA-N 2 1 252.358 1.247 50 0 CDAAMP Cc1ccsc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072421927 357834146 /nfs/dbraw/zinc/83/41/46/357834146.db2.gz UKHLSCMOJFKVIP-AWEZNQCLSA-N 2 1 268.426 1.945 50 0 CDAAMP Cc1ccsc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072421927 357834147 /nfs/dbraw/zinc/83/41/47/357834147.db2.gz UKHLSCMOJFKVIP-AWEZNQCLSA-N 2 1 268.426 1.945 50 0 CDAAMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC000097287837 358204907 /nfs/dbraw/zinc/20/49/07/358204907.db2.gz PYAYNINXKJYXIW-UHFFFAOYSA-N 2 1 254.349 1.884 50 0 CDAAMP Cc1nn(C)cc1C[N@@H+](C)CCCC[NH+]1CCOCC1 ZINC000097347164 358768869 /nfs/dbraw/zinc/76/88/69/358768869.db2.gz WJIUADBSETTYRC-UHFFFAOYSA-N 2 1 280.416 1.273 50 0 CDAAMP CC[N@@H+]1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189012 359529591 /nfs/dbraw/zinc/52/95/91/359529591.db2.gz HCDSPCDHEQCHQC-ZDUSSCGKSA-N 2 1 294.399 1.219 50 0 CDAAMP CC[N@H+]1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CCO)CC2 ZINC000257189012 359529594 /nfs/dbraw/zinc/52/95/94/359529594.db2.gz HCDSPCDHEQCHQC-ZDUSSCGKSA-N 2 1 294.399 1.219 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@@H](C)[NH+]2CCCCC2)c1C ZINC000426443314 360670970 /nfs/dbraw/zinc/67/09/70/360670970.db2.gz MXXRDPWYBIDBBA-CQSZACIVSA-N 2 1 278.400 1.491 50 0 CDAAMP C[N@H+]1CCCN(CCC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000095421922 374923825 /nfs/dbraw/zinc/92/38/25/374923825.db2.gz JZJLYYUGEROQEQ-UHFFFAOYSA-N 2 1 265.445 1.792 50 0 CDAAMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067726494 277395335 /nfs/dbraw/zinc/39/53/35/277395335.db2.gz NNUYZIFHLHGZKP-CQSZACIVSA-N 2 1 281.444 1.742 50 0 CDAAMP Cc1nccn1CCC[N@H+](C)CC1(CO)CCC1 ZINC000670436111 482975366 /nfs/dbraw/zinc/97/53/66/482975366.db2.gz SFCAOJRPCKGLPD-UHFFFAOYSA-N 2 1 251.374 1.676 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(CO)CCC1 ZINC000670436111 482975371 /nfs/dbraw/zinc/97/53/71/482975371.db2.gz SFCAOJRPCKGLPD-UHFFFAOYSA-N 2 1 251.374 1.676 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(CO)CCC1 ZINC000670436111 482975375 /nfs/dbraw/zinc/97/53/75/482975375.db2.gz SFCAOJRPCKGLPD-UHFFFAOYSA-N 2 1 251.374 1.676 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@H]2CCCCC[N@H+]2C)c1C ZINC000670437228 482976979 /nfs/dbraw/zinc/97/69/79/482976979.db2.gz PZMKJRQJKFJJAI-CQSZACIVSA-N 2 1 278.400 1.491 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@H]2CCCCC[N@@H+]2C)c1C ZINC000670437228 482976983 /nfs/dbraw/zinc/97/69/83/482976983.db2.gz PZMKJRQJKFJJAI-CQSZACIVSA-N 2 1 278.400 1.491 50 0 CDAAMP CO[C@H]1C[N@@H+](C)C[C@@H]1Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000824504891 925829613 /nfs/dbraw/zinc/82/96/13/925829613.db2.gz UNGKWPFULCZAMI-HOTGVXAUSA-N 2 1 289.354 1.845 50 0 CDAAMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000828713504 926169682 /nfs/dbraw/zinc/16/96/82/926169682.db2.gz GCUABCSLARIBDQ-INIZCTEOSA-N 2 1 292.423 1.831 50 0 CDAAMP Cc1c(CCO)sc[n+]1Cc1ccc(C)[nH+]c1N ZINC000013983227 342250439 /nfs/dbraw/zinc/25/04/39/342250439.db2.gz GPDGHBFOHMKNMQ-UHFFFAOYSA-N 2 1 264.374 1.213 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000252487307 342382122 /nfs/dbraw/zinc/38/21/22/342382122.db2.gz VIWHFHNPZPIKEC-AIEDFZFUSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1C[NH+](C)CCO1 ZINC000252487307 342382123 /nfs/dbraw/zinc/38/21/23/342382123.db2.gz VIWHFHNPZPIKEC-AIEDFZFUSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000252487307 342382124 /nfs/dbraw/zinc/38/21/24/342382124.db2.gz VIWHFHNPZPIKEC-AIEDFZFUSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000252487307 342382125 /nfs/dbraw/zinc/38/21/25/342382125.db2.gz VIWHFHNPZPIKEC-AIEDFZFUSA-N 2 1 297.443 1.083 50 0 CDAAMP CCC[N@@H+]1CC[C@H](CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000091457815 180160746 /nfs/dbraw/zinc/16/07/46/180160746.db2.gz NRFJTLYVDDRDAA-GFCCVEGCSA-N 2 1 263.389 1.686 50 0 CDAAMP CCC[N@H+]1CC[C@H](CNc2nc(N(C)C)cc[nH+]2)C1 ZINC000091457815 180160749 /nfs/dbraw/zinc/16/07/49/180160749.db2.gz NRFJTLYVDDRDAA-GFCCVEGCSA-N 2 1 263.389 1.686 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000020118332 356525820 /nfs/dbraw/zinc/52/58/20/356525820.db2.gz MYMZVSZYLRZWCX-UHFFFAOYSA-N 2 1 293.194 1.937 50 0 CDAAMP CCN(C)C(=O)[C@@H](C)[N@@H+](C)CCCc1nccn1C ZINC000299777447 372754259 /nfs/dbraw/zinc/75/42/59/372754259.db2.gz NJBQKHHDQGWJQX-GFCCVEGCSA-N 2 1 266.389 1.151 50 0 CDAAMP CCN(C)C(=O)[C@@H](C)[N@H+](C)CCCc1[nH+]ccn1C ZINC000299777447 372754267 /nfs/dbraw/zinc/75/42/67/372754267.db2.gz NJBQKHHDQGWJQX-GFCCVEGCSA-N 2 1 266.389 1.151 50 0 CDAAMP COC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245540489 376081304 /nfs/dbraw/zinc/08/13/04/376081304.db2.gz MONGLGSQUFTSFX-OWCLPIDISA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245540489 376081310 /nfs/dbraw/zinc/08/13/10/376081310.db2.gz MONGLGSQUFTSFX-OWCLPIDISA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245540489 376081316 /nfs/dbraw/zinc/08/13/16/376081316.db2.gz MONGLGSQUFTSFX-OWCLPIDISA-N 2 1 284.444 1.580 50 0 CDAAMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000388931232 398111314 /nfs/dbraw/zinc/11/13/14/398111314.db2.gz QNBXZNXFHBQBFT-MELADBBJSA-N 2 1 258.406 1.092 50 0 CDAAMP C[NH2+]C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000037536884 173255872 /nfs/dbraw/zinc/25/58/72/173255872.db2.gz PMMDMECGQPSSJK-UHFFFAOYSA-N 2 1 263.385 1.891 50 0 CDAAMP CC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2C)n(C)c1 ZINC000952986089 614248921 /nfs/dbraw/zinc/24/89/21/614248921.db2.gz YIHYFFSEOMTFRE-UHFFFAOYSA-N 2 1 274.368 1.913 50 0 CDAAMP CC[N@H+]1CCC[C@](C)(C[NH+]2CCC[C@@H](CO)C2)C1 ZINC000020539776 896897859 /nfs/dbraw/zinc/89/78/59/896897859.db2.gz XJCQVGGYQAVAFX-CABCVRRESA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@](C)(C[N@@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539776 896897871 /nfs/dbraw/zinc/89/78/71/896897871.db2.gz XJCQVGGYQAVAFX-CABCVRRESA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@](C)(C[N@H+]2CCC[C@@H](CO)C2)C1 ZINC000020539776 896897887 /nfs/dbraw/zinc/89/78/87/896897887.db2.gz XJCQVGGYQAVAFX-CABCVRRESA-N 2 1 254.418 1.813 50 0 CDAAMP CCCC(=O)N1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C(C)C)C2)CC1 ZINC000219581238 930885004 /nfs/dbraw/zinc/88/50/04/930885004.db2.gz MLFOAZLBWHPBCE-CABCVRRESA-N 2 1 281.444 1.693 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000243957106 937588553 /nfs/dbraw/zinc/58/85/53/937588553.db2.gz CFUJSFQODVUYIW-CYBMUJFWSA-N 2 1 273.384 1.935 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000243957106 937588556 /nfs/dbraw/zinc/58/85/56/937588556.db2.gz CFUJSFQODVUYIW-CYBMUJFWSA-N 2 1 273.384 1.935 50 0 CDAAMP CN(C)c1nc(N(C)C[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000095960970 185043924 /nfs/dbraw/zinc/04/39/24/185043924.db2.gz CCVUINKXRBNBAB-LBPRGKRZSA-N 2 1 263.389 1.321 50 0 CDAAMP CN(C)c1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000095960970 185043925 /nfs/dbraw/zinc/04/39/25/185043925.db2.gz CCVUINKXRBNBAB-LBPRGKRZSA-N 2 1 263.389 1.321 50 0 CDAAMP CCc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(N(C)C)n1 ZINC000065423344 357540357 /nfs/dbraw/zinc/54/03/57/357540357.db2.gz QCSJFNOYXQECHL-CQSZACIVSA-N 2 1 289.427 1.780 50 0 CDAAMP CCc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000065423344 357540367 /nfs/dbraw/zinc/54/03/67/357540367.db2.gz QCSJFNOYXQECHL-CQSZACIVSA-N 2 1 289.427 1.780 50 0 CDAAMP C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000065460517 357543490 /nfs/dbraw/zinc/54/34/90/357543490.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 2 1 262.397 1.823 50 0 CDAAMP C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000065460517 357543493 /nfs/dbraw/zinc/54/34/93/357543493.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 2 1 262.397 1.823 50 0 CDAAMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000065460517 357543497 /nfs/dbraw/zinc/54/34/97/357543497.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 2 1 262.397 1.823 50 0 CDAAMP C[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000065460517 357543501 /nfs/dbraw/zinc/54/35/01/357543501.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 2 1 262.397 1.823 50 0 CDAAMP Cc1cc(C)cc(N2CC[N@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2=O)c1 ZINC000102419498 358877802 /nfs/dbraw/zinc/87/78/02/358877802.db2.gz OZAAQWMZNAUWOG-FVQHAEBGSA-N 2 1 299.418 1.417 50 0 CDAAMP Cc1cc(C)cc(N2CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2=O)c1 ZINC000102419498 358877805 /nfs/dbraw/zinc/87/78/05/358877805.db2.gz OZAAQWMZNAUWOG-FVQHAEBGSA-N 2 1 299.418 1.417 50 0 CDAAMP CCn1ccnc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000215538435 358894400 /nfs/dbraw/zinc/89/44/00/358894400.db2.gz JXGMFMWJAHNIIG-UHFFFAOYSA-N 2 1 280.416 1.446 50 0 CDAAMP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)cc12 ZINC000107912601 412805024 /nfs/dbraw/zinc/80/50/24/412805024.db2.gz SWQUUQNAYFISHV-CYBMUJFWSA-N 2 1 287.411 1.708 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2([NH3+])CCC2)[C@H](C)C1 ZINC000299740090 375199212 /nfs/dbraw/zinc/19/92/12/375199212.db2.gz VOWIYFGWYKGMOK-CHWSQXEVSA-N 2 1 267.417 1.447 50 0 CDAAMP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000195143317 393070088 /nfs/dbraw/zinc/07/00/88/393070088.db2.gz AXMVFKBNZSTKRV-LBPRGKRZSA-N 2 1 279.359 1.207 50 0 CDAAMP C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000195143317 393070092 /nfs/dbraw/zinc/07/00/92/393070092.db2.gz AXMVFKBNZSTKRV-LBPRGKRZSA-N 2 1 279.359 1.207 50 0 CDAAMP Cc1ccc([C@H](C(=O)NCCCCC[NH3+])[NH+](C)C)cc1 ZINC000091270620 292239005 /nfs/dbraw/zinc/23/90/05/292239005.db2.gz RDIOWRWGJYQFRB-OAHLLOKOSA-N 2 1 277.412 1.843 50 0 CDAAMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000026896585 278404864 /nfs/dbraw/zinc/40/48/64/278404864.db2.gz UMWHGGWSANLOKM-GFCCVEGCSA-N 2 1 269.389 1.419 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CC1(CN2CCOCC2)CC1 ZINC000534658726 328341231 /nfs/dbraw/zinc/34/12/31/328341231.db2.gz JEEMYSNGHQWMQF-AWEZNQCLSA-N 2 1 292.427 1.282 50 0 CDAAMP O=C(NC[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000534662739 328350658 /nfs/dbraw/zinc/35/06/58/328350658.db2.gz OWIZEKYZJDMOMQ-AWEZNQCLSA-N 2 1 293.455 1.757 50 0 CDAAMP CC[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001506421009 975158159 /nfs/dbraw/zinc/15/81/59/975158159.db2.gz DAUABWLEGWHDAC-CYBMUJFWSA-N 2 1 297.443 1.134 50 0 CDAAMP CC[C@H](C(=O)NC(C)(C)C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001506421009 975158160 /nfs/dbraw/zinc/15/81/60/975158160.db2.gz DAUABWLEGWHDAC-CYBMUJFWSA-N 2 1 297.443 1.134 50 0 CDAAMP Nc1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)ccn1 ZINC000191503850 362446939 /nfs/dbraw/zinc/44/69/39/362446939.db2.gz FRFFJKRRBRAYIO-CQSZACIVSA-N 2 1 283.379 1.993 50 0 CDAAMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(OC)c1OC ZINC000002518426 355972693 /nfs/dbraw/zinc/97/26/93/355972693.db2.gz UEQSXXIWIFDWFA-UHFFFAOYSA-N 2 1 282.384 1.754 50 0 CDAAMP CSCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739106 356266987 /nfs/dbraw/zinc/26/69/87/356266987.db2.gz KNADUFWHLQENDX-WOPDTQHZSA-N 2 1 273.446 1.008 50 0 CDAAMP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738949 357700843 /nfs/dbraw/zinc/70/08/43/357700843.db2.gz ISYQZVAYSSWJKE-STQMWFEESA-N 2 1 253.390 1.058 50 0 CDAAMP CC[N@@H+](C)C[C@@H](C)CNc1nc(C)nc2c1CC[NH2+]CC2 ZINC000072422085 357834127 /nfs/dbraw/zinc/83/41/27/357834127.db2.gz OVZFJUQURSYGJQ-LBPRGKRZSA-N 2 1 291.443 1.473 50 0 CDAAMP CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)c1nccc(N)n1 ZINC000095511009 358695861 /nfs/dbraw/zinc/69/58/61/358695861.db2.gz HAXDTGYPIMFZIP-AWEZNQCLSA-N 2 1 283.379 1.552 50 0 CDAAMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC000097732736 358795608 /nfs/dbraw/zinc/79/56/08/358795608.db2.gz ZMRCWMWGRPVXBI-INIZCTEOSA-N 3 1 291.439 1.940 50 0 CDAAMP C[NH+](C)CCOc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC000097732736 358795614 /nfs/dbraw/zinc/79/56/14/358795614.db2.gz ZMRCWMWGRPVXBI-INIZCTEOSA-N 2 1 291.439 1.940 50 0 CDAAMP CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cn1 ZINC000216093041 358924376 /nfs/dbraw/zinc/92/43/76/358924376.db2.gz ULFWETDPJJXEFX-OKILXGFUSA-N 2 1 260.385 1.141 50 0 CDAAMP C(=C/c1ccccc1)\C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000097425408 360959875 /nfs/dbraw/zinc/95/98/75/360959875.db2.gz ZQSVRSZNVMQQQU-PFWMLDTASA-N 2 1 271.408 1.679 50 0 CDAAMP C[C@@H]1CSCCN1C[C@@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000248740902 364434503 /nfs/dbraw/zinc/43/45/03/364434503.db2.gz PQVQJNQBUUIYON-CLLJXQQHSA-N 2 1 290.498 1.222 50 0 CDAAMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC000096432438 390519791 /nfs/dbraw/zinc/51/97/91/390519791.db2.gz CGNDGKDKDDMTFE-ZDUSSCGKSA-N 2 1 255.406 1.127 50 0 CDAAMP CCc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)on1 ZINC000072133620 176321829 /nfs/dbraw/zinc/32/18/29/176321829.db2.gz UJSAQHNZLFRTHH-OAHLLOKOSA-N 2 1 281.400 1.516 50 0 CDAAMP CCCCc1ncc(C[N@H+]2CC[C@H](CC(=O)NC)C2)[nH]1 ZINC000670433953 482967777 /nfs/dbraw/zinc/96/77/77/482967777.db2.gz RJXQDZFHPNHXEN-GFCCVEGCSA-N 2 1 278.400 1.710 50 0 CDAAMP CCCCc1nc(C[N@@H+]2CC[C@H](CC(=O)NC)C2)c[nH]1 ZINC000670433953 482967782 /nfs/dbraw/zinc/96/77/82/482967782.db2.gz RJXQDZFHPNHXEN-GFCCVEGCSA-N 2 1 278.400 1.710 50 0 CDAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000823770090 925728490 /nfs/dbraw/zinc/72/84/90/925728490.db2.gz MBVVPHCBWGOAHE-AWEZNQCLSA-N 2 1 252.402 1.973 50 0 CDAAMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1Cc1ccccc1 ZINC000585116789 930968668 /nfs/dbraw/zinc/96/86/68/930968668.db2.gz IMUABNCEBOZPJN-PVAVHDDUSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1Cc1ccccc1 ZINC000585116789 930968677 /nfs/dbraw/zinc/96/86/77/930968677.db2.gz IMUABNCEBOZPJN-PVAVHDDUSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116789 930968682 /nfs/dbraw/zinc/96/86/82/930968682.db2.gz IMUABNCEBOZPJN-PVAVHDDUSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116789 930968691 /nfs/dbraw/zinc/96/86/91/930968691.db2.gz IMUABNCEBOZPJN-PVAVHDDUSA-N 2 1 292.423 1.325 50 0 CDAAMP CC[N@H+]1CCC[C@@H]1CN1CCC([NH+]2CCSCC2)CC1 ZINC001506419772 975157328 /nfs/dbraw/zinc/15/73/28/975157328.db2.gz JLGGUIDJMSKRSX-MRXNPFEDSA-N 2 1 297.512 1.984 50 0 CDAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000065410115 363119515 /nfs/dbraw/zinc/11/95/15/363119515.db2.gz YENQUYCKODTOPU-GFCCVEGCSA-N 2 1 257.341 1.048 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000065410115 363119520 /nfs/dbraw/zinc/11/95/20/363119520.db2.gz YENQUYCKODTOPU-GFCCVEGCSA-N 2 1 257.341 1.048 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000643613035 356920878 /nfs/dbraw/zinc/92/08/78/356920878.db2.gz ZBDFHYKUTWZEFQ-DGCLKSJQSA-N 2 1 279.384 1.541 50 0 CDAAMP C[C@H]1CC(C)(C)NCC[NH2+][C@@H](C)CC(C)(C)NCC[NH2+]1 ZINC000019939481 357238603 /nfs/dbraw/zinc/23/86/03/357238603.db2.gz XHCNINMOALIGKM-KBPBESRZSA-N 2 1 284.492 1.473 50 0 CDAAMP [NH3+]CC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000066323402 357562427 /nfs/dbraw/zinc/56/24/27/357562427.db2.gz AVMRQZDZKIQWAL-UHFFFAOYSA-N 2 1 277.368 1.336 50 0 CDAAMP CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000000248224 359399846 /nfs/dbraw/zinc/39/98/46/359399846.db2.gz DHNVWVJYVSKEOI-LBPRGKRZSA-N 2 1 254.374 1.356 50 0 CDAAMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000248125753 360384839 /nfs/dbraw/zinc/38/48/39/360384839.db2.gz LSBHLELVMUMETR-HRCADAONSA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000248125753 360384841 /nfs/dbraw/zinc/38/48/41/360384841.db2.gz LSBHLELVMUMETR-HRCADAONSA-N 2 1 293.455 1.946 50 0 CDAAMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000248125753 360384843 /nfs/dbraw/zinc/38/48/43/360384843.db2.gz LSBHLELVMUMETR-HRCADAONSA-N 2 1 293.455 1.946 50 0 CDAAMP Cc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000072168518 176332390 /nfs/dbraw/zinc/33/23/90/176332390.db2.gz QJDJSENTGOJDKT-INIZCTEOSA-N 2 1 277.412 1.669 50 0 CDAAMP CC(C)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676486 279174603 /nfs/dbraw/zinc/17/46/03/279174603.db2.gz SKTDUHDYOZTILC-UPJWGTAASA-N 2 1 255.406 1.301 50 0 CDAAMP CC(C)[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974251 280238159 /nfs/dbraw/zinc/23/81/59/280238159.db2.gz IWMRMUHLKWTPGN-ZACQAIPSSA-N 2 1 295.471 1.560 50 0 CDAAMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000251942144 297095151 /nfs/dbraw/zinc/09/51/51/297095151.db2.gz ZRAXDDXGRDMKBG-XJFOESAGSA-N 2 1 265.401 1.199 50 0 CDAAMP C[NH2+]Cc1nnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC001772709963 1159444119 /nfs/dbraw/zinc/44/41/19/1159444119.db2.gz NGWXRTUNTHJELI-UHFFFAOYSA-N 2 1 267.377 1.510 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CN(C)CCO1 ZINC000095429628 351397772 /nfs/dbraw/zinc/39/77/72/351397772.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000095429628 351397775 /nfs/dbraw/zinc/39/77/75/351397775.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1C[NH+](C)CCO1 ZINC000095429628 351397779 /nfs/dbraw/zinc/39/77/79/351397779.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 2 1 297.443 1.083 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000095429628 351397789 /nfs/dbraw/zinc/39/77/89/351397789.db2.gz VIWHFHNPZPIKEC-AICCOOGYSA-N 2 1 297.443 1.083 50 0 CDAAMP c1nc(CC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c[nH]1 ZINC000065503327 363292988 /nfs/dbraw/zinc/29/29/88/363292988.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 1 262.401 1.806 50 0 CDAAMP c1nc(CC[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)c[nH]1 ZINC000065503327 363292996 /nfs/dbraw/zinc/29/29/96/363292996.db2.gz QYPAGXVZHQFHEQ-DZGCQCFKSA-N 3 1 262.401 1.806 50 0 CDAAMP CCCn1ccnc1C[N@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102483063 358879945 /nfs/dbraw/zinc/87/99/45/358879945.db2.gz RCFIDPZDGOGOAN-ZSOGYDGISA-N 2 1 262.401 1.533 50 0 CDAAMP CCCn1ccnc1C[N@@H+]1C[C@@H]2[C@@H](C[NH+](C)C)[C@@H]2C1 ZINC000102483063 358879946 /nfs/dbraw/zinc/87/99/46/358879946.db2.gz RCFIDPZDGOGOAN-ZSOGYDGISA-N 2 1 262.401 1.533 50 0 CDAAMP C[NH+](C)Cc1csc(C[N@@H+](C)C[C@@H]2COCCO2)c1 ZINC000216513476 358948271 /nfs/dbraw/zinc/94/82/71/358948271.db2.gz NIORBSCNFUKQSK-CYBMUJFWSA-N 2 1 284.425 1.657 50 0 CDAAMP CC(C)[C@@H](NC(=O)CN1CCCC1)c1nccn1C ZINC000222678355 359364377 /nfs/dbraw/zinc/36/43/77/359364377.db2.gz WMIQUPWJSRNUHS-CYBMUJFWSA-N 2 1 264.373 1.329 50 0 CDAAMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523384 359931066 /nfs/dbraw/zinc/93/10/66/359931066.db2.gz RGTXIGOLOJSJPJ-ZIAGYGMSSA-N 2 1 267.417 1.319 50 0 CDAAMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261629222 303073030 /nfs/dbraw/zinc/07/30/30/303073030.db2.gz CLLJPKHCJXBMMA-HIFRSBDPSA-N 2 1 262.401 1.947 50 0 CDAAMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261629222 303073033 /nfs/dbraw/zinc/07/30/33/303073033.db2.gz CLLJPKHCJXBMMA-HIFRSBDPSA-N 2 1 262.401 1.947 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCN1CCC(CO)CC1 ZINC000534637019 328334061 /nfs/dbraw/zinc/33/40/61/328334061.db2.gz VEETUCGVBNQIJM-CQSZACIVSA-N 2 1 294.443 1.128 50 0 CDAAMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757213056 577036300 /nfs/dbraw/zinc/03/63/00/577036300.db2.gz NNGYGHVINMQSEQ-NMUGVGKYSA-N 2 1 265.323 1.242 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCSc1nc[nH]n1 ZINC000952963530 816814085 /nfs/dbraw/zinc/81/40/85/816814085.db2.gz IXOYSEARZCJRRV-SECBINFHSA-N 2 1 266.374 1.080 50 0 CDAAMP CC1(C)CC(NCC[N@H+]2CCC[C@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711114 926169020 /nfs/dbraw/zinc/16/90/20/926169020.db2.gz FLZKQWINHCIPKN-AWEZNQCLSA-N 2 1 297.487 1.590 50 0 CDAAMP CC1(C)CC([NH2+]CCN2CCC[C@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711114 926169023 /nfs/dbraw/zinc/16/90/23/926169023.db2.gz FLZKQWINHCIPKN-AWEZNQCLSA-N 2 1 297.487 1.590 50 0 CDAAMP CSCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252495537 342382531 /nfs/dbraw/zinc/38/25/31/342382531.db2.gz OSVOKESMUGCZDC-TZMCWYRMSA-N 2 1 299.484 1.542 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1Cl ZINC000584885248 349342904 /nfs/dbraw/zinc/34/29/04/349342904.db2.gz LHAJYHBVTXYMDP-SECBINFHSA-N 2 1 281.791 1.169 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000584885248 349342908 /nfs/dbraw/zinc/34/29/08/349342908.db2.gz LHAJYHBVTXYMDP-SECBINFHSA-N 2 1 281.791 1.169 50 0 CDAAMP CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067784795 357627395 /nfs/dbraw/zinc/62/73/95/357627395.db2.gz VWCSGZFORBMPIH-OAHLLOKOSA-N 2 1 276.384 1.048 50 0 CDAAMP C[C@H](c1cnn(C)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000097051516 357934855 /nfs/dbraw/zinc/93/48/55/357934855.db2.gz XACSSFXCYYVWGR-CQSZACIVSA-N 2 1 279.432 1.050 50 0 CDAAMP C[C@@H](NCc1nncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110951 357986844 /nfs/dbraw/zinc/98/68/44/357986844.db2.gz VUZZMUCDIAPGBP-CHWSQXEVSA-N 2 1 277.416 1.558 50 0 CDAAMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1 ZINC000097287846 358066749 /nfs/dbraw/zinc/06/67/49/358066749.db2.gz FFVNHJFKUVVBPF-UHFFFAOYSA-N 2 1 254.349 1.884 50 0 CDAAMP Cc1c(F)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000216300896 358935949 /nfs/dbraw/zinc/93/59/49/358935949.db2.gz QQZKCZQPBNIAGY-MRXNPFEDSA-N 2 1 291.414 1.956 50 0 CDAAMP Cc1c(F)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000216300896 358935951 /nfs/dbraw/zinc/93/59/51/358935951.db2.gz QQZKCZQPBNIAGY-MRXNPFEDSA-N 2 1 291.414 1.956 50 0 CDAAMP NC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000089774453 135060834 /nfs/dbraw/zinc/06/08/34/135060834.db2.gz JSMXSFLUGHOXHA-UHFFFAOYSA-N 2 1 296.374 1.503 50 0 CDAAMP CCc1cc(OCCOCC[NH2+]CC[NH3+])ccc1Cl ZINC000022079121 171352447 /nfs/dbraw/zinc/35/24/47/171352447.db2.gz QXMXFKOIUYILFX-UHFFFAOYSA-N 2 1 286.803 1.846 50 0 CDAAMP Cc1[nH+]c(N(C)C)nc(N2CC[C@H]([NH+](C)C)C2)c1C ZINC000065458133 274840358 /nfs/dbraw/zinc/84/03/58/274840358.db2.gz YENCGHQMGQEYTK-LBPRGKRZSA-N 2 1 263.389 1.300 50 0 CDAAMP CCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000239352755 276277447 /nfs/dbraw/zinc/27/74/47/276277447.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 2 1 280.412 1.888 50 0 CDAAMP CCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000239352755 276277448 /nfs/dbraw/zinc/27/74/48/276277448.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 2 1 280.412 1.888 50 0 CDAAMP CCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000239352755 276277449 /nfs/dbraw/zinc/27/74/49/276277449.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 2 1 280.412 1.888 50 0 CDAAMP [NH3+]CCCCNc1nnc([C@H]([NH3+])Cc2ccccc2)o1 ZINC001772701798 1159437644 /nfs/dbraw/zinc/43/76/44/1159437644.db2.gz BMFJWJRLHGLHDD-GFCCVEGCSA-N 2 1 275.356 1.463 50 0 CDAAMP C[N@@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)[C@H](c1ccccn1)C1CC1 ZINC000952969315 616148434 /nfs/dbraw/zinc/14/84/34/616148434.db2.gz CAZDVASKUUCHCD-NHIYQJMISA-N 2 1 257.381 1.930 50 0 CDAAMP CN(C)c1nc(N[C@H]2CCC[NH2+]C2)c2c([nH+]1)CCCC2 ZINC001704299920 1177679799 /nfs/dbraw/zinc/67/97/99/1177679799.db2.gz OBNNIECTINGEOU-NSHDSACASA-N 2 1 275.400 1.585 50 0 CDAAMP CCOC(=O)N1CCC([N@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000067690613 819850710 /nfs/dbraw/zinc/85/07/10/819850710.db2.gz WXLMFWBTWMIANM-UHFFFAOYSA-N 2 1 295.427 1.683 50 0 CDAAMP C[N@H+]1CCCC2(CC[NH+](Cc3cnc(N)nc3)CC2)CC1 ZINC000584904064 341994114 /nfs/dbraw/zinc/99/41/14/341994114.db2.gz OTZAIISLIFNJBD-UHFFFAOYSA-N 2 1 289.427 1.587 50 0 CDAAMP CSCC[C@@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554589 363462308 /nfs/dbraw/zinc/46/23/08/363462308.db2.gz OSVOKESMUGCZDC-GXTWGEPZSA-N 2 1 299.484 1.542 50 0 CDAAMP c1nc(SCC[NH2+]C[C@@H]2CCC[N@H+]3CCCC[C@H]23)n[nH]1 ZINC000063881988 357519191 /nfs/dbraw/zinc/51/91/91/357519191.db2.gz XTFAMOFCJZSXIC-QWHCGFSZSA-N 2 1 295.456 1.751 50 0 CDAAMP COCC[NH+]1CCC(C[N@H+](C)Cc2cscn2)CC1 ZINC000215038782 358870881 /nfs/dbraw/zinc/87/08/81/358870881.db2.gz DGMIRNWUGCCBDJ-UHFFFAOYSA-N 2 1 283.441 1.933 50 0 CDAAMP COCC[NH+]1CCC(C[N@@H+](C)Cc2cscn2)CC1 ZINC000215038782 358870885 /nfs/dbraw/zinc/87/08/85/358870885.db2.gz DGMIRNWUGCCBDJ-UHFFFAOYSA-N 2 1 283.441 1.933 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)[C@H](C)[NH+]2CCCCC2)c1C ZINC000426443313 360670523 /nfs/dbraw/zinc/67/05/23/360670523.db2.gz MXXRDPWYBIDBBA-AWEZNQCLSA-N 2 1 278.400 1.491 50 0 CDAAMP C[NH+]1CCC2(C[NH2+]C[C@@H]2c2nc(C3CC3)n[nH]2)CC1 ZINC000085347593 390863026 /nfs/dbraw/zinc/86/30/26/390863026.db2.gz KQRYKVOCISOWJN-LLVKDONJSA-N 2 1 261.373 1.081 50 0 CDAAMP CC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000251265471 392558212 /nfs/dbraw/zinc/55/82/12/392558212.db2.gz OFXRXVXZBXEYJF-VNHYZAJKSA-N 2 1 265.401 1.262 50 0 CDAAMP C[N@H+]1CC[C@H]2C[NH+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179345 /nfs/dbraw/zinc/17/93/45/277179345.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 2 1 299.418 1.675 50 0 CDAAMP C[NH+]1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179346 /nfs/dbraw/zinc/17/93/46/277179346.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 2 1 299.418 1.675 50 0 CDAAMP C[NH+]1CC[C@H]2C[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179348 /nfs/dbraw/zinc/17/93/48/277179348.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 2 1 299.418 1.675 50 0 CDAAMP CC[NH2+]C[C@@H](O)COCCC[N@H+]1CCC[C@@H](C)C1 ZINC000023549976 482844805 /nfs/dbraw/zinc/84/48/05/482844805.db2.gz HPIOXBOTTXBOLI-ZIAGYGMSSA-N 2 1 258.406 1.095 50 0 CDAAMP C[N@@H+](C[C@H]1[C@@H]2C[NH2+]C[C@H]12)[C@@H](c1ccccn1)C1CC1 ZINC000952969331 616148418 /nfs/dbraw/zinc/14/84/18/616148418.db2.gz CAZDVASKUUCHCD-ORIJERBGSA-N 2 1 257.381 1.930 50 0 CDAAMP C[N@H+]1C[C@@H]2CCC[C@H]1CN(C(=O)CC1CC[NH2+]CC1)C2 ZINC000823806812 925730512 /nfs/dbraw/zinc/73/05/12/925730512.db2.gz RNMSKLLIAWEGFU-GJZGRUSLSA-N 2 1 279.428 1.319 50 0 CDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]CCN1CCC(CO)CC1 ZINC000828719645 926167039 /nfs/dbraw/zinc/16/70/39/926167039.db2.gz RXEJOYFUSGACBI-AWEZNQCLSA-N 2 1 294.443 1.264 50 0 CDAAMP C[C@@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCCC1 ZINC000195575072 342628758 /nfs/dbraw/zinc/62/87/58/342628758.db2.gz YRCBKPYMUDLJGA-LBPRGKRZSA-N 2 1 263.389 1.686 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000585088417 362015701 /nfs/dbraw/zinc/01/57/01/362015701.db2.gz CPPHQXLEJGKPIF-NEPJUHHUSA-N 2 1 255.406 1.303 50 0 CDAAMP CC[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCn1cc[nH+]c1C ZINC000252480290 362383227 /nfs/dbraw/zinc/38/32/27/362383227.db2.gz BZLOAXZVZZBZLD-HNNXBMFYSA-N 2 1 292.427 1.961 50 0 CDAAMP CC[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCn1cc[nH+]c1C ZINC000252480290 362383231 /nfs/dbraw/zinc/38/32/31/362383231.db2.gz BZLOAXZVZZBZLD-HNNXBMFYSA-N 2 1 292.427 1.961 50 0 CDAAMP CC(C)[N@@H+]1CCCN(C(=O)CCC[NH+]2CCOCC2)CC1 ZINC000584887256 349345563 /nfs/dbraw/zinc/34/55/63/349345563.db2.gz GWTBZEMSTWNPQP-UHFFFAOYSA-N 2 1 297.443 1.042 50 0 CDAAMP CC(C)[N@H+]1CCCN(C(=O)CCC[NH+]2CCOCC2)CC1 ZINC000584887256 349345570 /nfs/dbraw/zinc/34/55/70/349345570.db2.gz GWTBZEMSTWNPQP-UHFFFAOYSA-N 2 1 297.443 1.042 50 0 CDAAMP CC(C)[N@H+]1CCO[C@@H](CC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000584894934 349355143 /nfs/dbraw/zinc/35/51/43/349355143.db2.gz BSCUKTYGNPOYNP-HNNXBMFYSA-N 2 1 297.443 1.040 50 0 CDAAMP Cc1c[nH+]c(N)nc1NCCCOC1CC[NH+](C)CC1 ZINC000091551993 180189757 /nfs/dbraw/zinc/18/97/57/180189757.db2.gz CVWGTGWYOVRJMK-UHFFFAOYSA-N 2 1 279.388 1.280 50 0 CDAAMP C[N@@H+]1CCC[NH2+]CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000067425112 357607038 /nfs/dbraw/zinc/60/70/38/357607038.db2.gz KUUNPMZOFUVVNQ-UHFFFAOYSA-N 2 1 283.416 1.681 50 0 CDAAMP C[N@H+]1CCC[NH2+]CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000067425112 357607042 /nfs/dbraw/zinc/60/70/42/357607042.db2.gz KUUNPMZOFUVVNQ-UHFFFAOYSA-N 2 1 283.416 1.681 50 0 CDAAMP C[NH+]1CCN(CCC[N@H+]2CCc3cccc(F)c3C2)CC1 ZINC000097235651 358050513 /nfs/dbraw/zinc/05/05/13/358050513.db2.gz BSKMDWRRJWPMER-UHFFFAOYSA-N 2 1 291.414 1.821 50 0 CDAAMP Cc1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000097200785 358188302 /nfs/dbraw/zinc/18/83/02/358188302.db2.gz QPPMUVPGNCNURM-QWHCGFSZSA-N 2 1 275.352 1.439 50 0 CDAAMP Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3CCOC3=O)C2)nc1 ZINC000097200785 358188304 /nfs/dbraw/zinc/18/83/04/358188304.db2.gz QPPMUVPGNCNURM-QWHCGFSZSA-N 2 1 275.352 1.439 50 0 CDAAMP C[NH2+]Cc1nnc(SCCCn2cc[nH+]c2C)n1C ZINC000426411527 358631947 /nfs/dbraw/zinc/63/19/47/358631947.db2.gz RGIKNTARJZCHKT-UHFFFAOYSA-N 2 1 280.401 1.222 50 0 CDAAMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)CC1 ZINC000097528089 358782378 /nfs/dbraw/zinc/78/23/78/358782378.db2.gz MGILBBJMGUNBDP-INIZCTEOSA-N 2 1 292.423 1.974 50 0 CDAAMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)CC1 ZINC000097528089 358782380 /nfs/dbraw/zinc/78/23/80/358782380.db2.gz MGILBBJMGUNBDP-INIZCTEOSA-N 2 1 292.423 1.974 50 0 CDAAMP CN(Cc1ncc[nH]1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000426504677 360935983 /nfs/dbraw/zinc/93/59/83/360935983.db2.gz YEGGCJJVZDLXMN-NSHDSACASA-N 2 1 265.361 1.035 50 0 CDAAMP CC[N@@H+](CCn1cccn1)C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244866696 361055267 /nfs/dbraw/zinc/05/52/67/361055267.db2.gz WAWJUZCAOHSFLQ-OKILXGFUSA-N 2 1 250.390 1.723 50 0 CDAAMP CC(C)(C)OC(=O)NC1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000037373683 367491671 /nfs/dbraw/zinc/49/16/71/367491671.db2.gz HKBOBJSFRQIKQQ-UHFFFAOYSA-N 2 1 283.416 1.728 50 0 CDAAMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000037644231 369506024 /nfs/dbraw/zinc/50/60/24/369506024.db2.gz PUCNFKACUQJDOF-CYBMUJFWSA-N 2 1 250.390 1.468 50 0 CDAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(C)c2C)C1 ZINC000037644231 369506031 /nfs/dbraw/zinc/50/60/31/369506031.db2.gz PUCNFKACUQJDOF-CYBMUJFWSA-N 2 1 250.390 1.468 50 0 CDAAMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763895 373788703 /nfs/dbraw/zinc/78/87/03/373788703.db2.gz YQIDEMBTRCSHNZ-OAHLLOKOSA-N 2 1 290.411 1.826 50 0 CDAAMP CC(C)[NH+]1CCC([N@@H+](C)CCOC[C@H]2CCCO2)CC1 ZINC000096421089 390514277 /nfs/dbraw/zinc/51/42/77/390514277.db2.gz IIHREBQRRIHVLQ-MRXNPFEDSA-N 2 1 284.444 1.987 50 0 CDAAMP OCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514450 /nfs/dbraw/zinc/51/44/50/390514450.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514452 /nfs/dbraw/zinc/51/44/52/390514452.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514454 /nfs/dbraw/zinc/51/44/54/390514454.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 2 1 252.402 1.565 50 0 CDAAMP C[N@H+](CC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000101522427 147135331 /nfs/dbraw/zinc/13/53/31/147135331.db2.gz LOEHNNINPGHWFI-UHFFFAOYSA-N 2 1 289.423 1.576 50 0 CDAAMP C[N@@H+](CC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000101522427 147135333 /nfs/dbraw/zinc/13/53/33/147135333.db2.gz LOEHNNINPGHWFI-UHFFFAOYSA-N 2 1 289.423 1.576 50 0 CDAAMP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3C)C2)nc(N)[nH+]1 ZINC000082134402 280552674 /nfs/dbraw/zinc/55/26/74/280552674.db2.gz BSTNRANYZIAVEM-LLVKDONJSA-N 2 1 272.356 1.485 50 0 CDAAMP Cc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000426380768 280864361 /nfs/dbraw/zinc/86/43/61/280864361.db2.gz ZCRIGHZEBBRXNP-HNNXBMFYSA-N 2 1 259.397 1.915 50 0 CDAAMP Cc1cc(C(F)(F)F)cc(N2CCO[C@@H](CC[NH3+])C2)[nH+]1 ZINC000534647830 328343096 /nfs/dbraw/zinc/34/30/96/328343096.db2.gz QOOYHBCLTPRAPJ-NSHDSACASA-N 2 1 289.301 1.963 50 0 CDAAMP C[C@@H]1[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)CC[C@@H]1[NH3+] ZINC000757211877 574906527 /nfs/dbraw/zinc/90/65/27/574906527.db2.gz KQKXTGCKNQULAL-HPENLJRUSA-N 2 1 265.323 1.385 50 0 CDAAMP OC[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710811 1159444976 /nfs/dbraw/zinc/44/49/76/1159444976.db2.gz WRMMOBREASERSA-XJKSGUPXSA-N 2 1 294.370 1.108 50 0 CDAAMP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710811 1159444978 /nfs/dbraw/zinc/44/49/78/1159444978.db2.gz WRMMOBREASERSA-XJKSGUPXSA-N 2 1 294.370 1.108 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710806 1159445114 /nfs/dbraw/zinc/44/51/14/1159445114.db2.gz WRMMOBREASERSA-CJNGLKHVSA-N 2 1 294.370 1.108 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@@H]1C[N@@H+](CCCOc1ccc(F)cc1)C2 ZINC001772710806 1159445116 /nfs/dbraw/zinc/44/51/16/1159445116.db2.gz WRMMOBREASERSA-CJNGLKHVSA-N 2 1 294.370 1.108 50 0 CDAAMP CCc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000823557303 925710976 /nfs/dbraw/zinc/71/09/76/925710976.db2.gz LMJAHYKBXNGDQU-GFCCVEGCSA-N 2 1 289.383 1.470 50 0 CDAAMP CC[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001506421011 975158252 /nfs/dbraw/zinc/15/82/52/975158252.db2.gz DAUABWLEGWHDAC-ZDUSSCGKSA-N 2 1 297.443 1.134 50 0 CDAAMP CC[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001506421011 975158255 /nfs/dbraw/zinc/15/82/55/975158255.db2.gz DAUABWLEGWHDAC-ZDUSSCGKSA-N 2 1 297.443 1.134 50 0 CDAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC000097377013 342002933 /nfs/dbraw/zinc/00/29/33/342002933.db2.gz JXRBIXRNEYYGPF-CYBMUJFWSA-N 2 1 289.379 1.960 50 0 CDAAMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000097377013 342002934 /nfs/dbraw/zinc/00/29/34/342002934.db2.gz JXRBIXRNEYYGPF-CYBMUJFWSA-N 2 1 289.379 1.960 50 0 CDAAMP Cc1cc(NC2CC[NH+](CC(N)=O)CC2)cc(C)[nH+]1 ZINC000311447224 342089878 /nfs/dbraw/zinc/08/98/78/342089878.db2.gz KNJSOSYYARLDHT-UHFFFAOYSA-N 2 1 262.357 1.060 50 0 CDAAMP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000037161034 539141985 /nfs/dbraw/zinc/14/19/85/539141985.db2.gz IEXFFUVBRYXSEG-AWEZNQCLSA-N 2 1 269.433 1.610 50 0 CDAAMP Cc1cc(N2CCC[C@H](c3[nH+]ccn3C)C2)nc(N)[nH+]1 ZINC000082134400 358148578 /nfs/dbraw/zinc/14/85/78/358148578.db2.gz BSTNRANYZIAVEM-NSHDSACASA-N 2 1 272.356 1.485 50 0 CDAAMP OCCCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000247764696 358763260 /nfs/dbraw/zinc/76/32/60/358763260.db2.gz JUEBTNNNOCUEPL-QLFBSQMISA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000247764696 358763263 /nfs/dbraw/zinc/76/32/63/358763263.db2.gz JUEBTNNNOCUEPL-QLFBSQMISA-N 2 1 252.402 1.565 50 0 CDAAMP OCCCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000247764696 358763267 /nfs/dbraw/zinc/76/32/67/358763267.db2.gz JUEBTNNNOCUEPL-QLFBSQMISA-N 2 1 252.402 1.565 50 0 CDAAMP CC[N@H+]1CCC[C@H](CN2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000020586453 374978693 /nfs/dbraw/zinc/97/86/93/374978693.db2.gz XXLRJADSHBDTDM-JKSUJKDBSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@H](CN2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000020586453 374978700 /nfs/dbraw/zinc/97/87/00/374978700.db2.gz XXLRJADSHBDTDM-JKSUJKDBSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@H](CN2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000020586453 374978705 /nfs/dbraw/zinc/97/87/05/374978705.db2.gz XXLRJADSHBDTDM-JKSUJKDBSA-N 2 1 265.445 1.888 50 0 CDAAMP COC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000126867946 375028511 /nfs/dbraw/zinc/02/85/11/375028511.db2.gz MONGLGSQUFTSFX-BZUAXINKSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000126867946 375028519 /nfs/dbraw/zinc/02/85/19/375028519.db2.gz MONGLGSQUFTSFX-BZUAXINKSA-N 2 1 284.444 1.580 50 0 CDAAMP COC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000126867946 375028524 /nfs/dbraw/zinc/02/85/24/375028524.db2.gz MONGLGSQUFTSFX-BZUAXINKSA-N 2 1 284.444 1.580 50 0 CDAAMP CN1CCC[N@@H+](CC[C@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667438 328345951 /nfs/dbraw/zinc/34/59/51/328345951.db2.gz PDGFFNHGEQDFIX-ZDUSSCGKSA-N 2 1 287.398 1.791 50 0 CDAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708384 1159441586 /nfs/dbraw/zinc/44/15/86/1159441586.db2.gz CQFNNVSCMVCHPV-NVXWUHKLSA-N 2 1 296.455 1.439 50 0 CDAAMP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](CCC1CCCCCC1)C2 ZINC001772707457 1159441635 /nfs/dbraw/zinc/44/16/35/1159441635.db2.gz SXFYLWIQYRJDBJ-JKSUJKDBSA-N 2 1 266.429 1.861 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCSc1nc[nH]n1 ZINC000952963563 839023063 /nfs/dbraw/zinc/02/30/63/839023063.db2.gz IXOYSEARZCJRRV-VIFPVBQESA-N 2 1 266.374 1.080 50 0 CDAAMP COCC[N@@H+]1CC[C@@H](CNc2cc(N)[nH+]c(SC)n2)C1 ZINC001529158728 968997942 /nfs/dbraw/zinc/99/79/42/968997942.db2.gz JSYHBCXRQBLDRR-JTQLQIEISA-N 2 1 297.428 1.161 50 0 CDAAMP COCC[N@H+]1CC[C@@H](CNc2cc(N)[nH+]c(SC)n2)C1 ZINC001529158728 968997951 /nfs/dbraw/zinc/99/79/51/968997951.db2.gz JSYHBCXRQBLDRR-JTQLQIEISA-N 2 1 297.428 1.161 50 0 CDAAMP CC(C)[C@H](NC(=O)CN1CCCC1)c1nccn1C ZINC000222678419 359364589 /nfs/dbraw/zinc/36/45/89/359364589.db2.gz WMIQUPWJSRNUHS-ZDUSSCGKSA-N 2 1 264.373 1.329 50 0 CDAAMP Fc1ccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)cc1F ZINC000426602553 361159007 /nfs/dbraw/zinc/15/90/07/361159007.db2.gz SJNUZBLPMHLWKG-LBPRGKRZSA-N 2 1 281.350 1.885 50 0 CDAAMP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000252489751 367583772 /nfs/dbraw/zinc/58/37/72/367583772.db2.gz JZEXERQXNBQUGI-INIZCTEOSA-N 2 1 293.455 1.946 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757367 372745781 /nfs/dbraw/zinc/74/57/81/372745781.db2.gz IGBIADUEVDGXDI-BSXFFOKHSA-N 2 1 299.418 1.709 50 0 CDAAMP CN1CCC[N@@H+](CCCn2cccn2)CC12CC[NH2+]CC2 ZINC000097495132 390917539 /nfs/dbraw/zinc/91/75/39/390917539.db2.gz ASQGTYOOLPOKMU-UHFFFAOYSA-N 2 1 291.443 1.033 50 0 CDAAMP Fc1ccc(N2CC[C@H]([N@@H+]3CCC[NH2+]CC3)C2)cc1 ZINC000259453275 391043643 /nfs/dbraw/zinc/04/36/43/391043643.db2.gz WIRDEYVOVZBSMA-HNNXBMFYSA-N 2 1 263.360 1.700 50 0 CDAAMP Fc1ccc(N2CC[C@H]([N@H+]3CCC[NH2+]CC3)C2)cc1 ZINC000259453275 391043647 /nfs/dbraw/zinc/04/36/47/391043647.db2.gz WIRDEYVOVZBSMA-HNNXBMFYSA-N 2 1 263.360 1.700 50 0 CDAAMP CN(C)[C@@H]1C[C@@H](CO)[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000065465760 289336094 /nfs/dbraw/zinc/33/60/94/289336094.db2.gz FWHIYUXTIVWYGF-CVEARBPZSA-N 2 1 295.471 1.296 50 0 CDAAMP Cn1c(C[NH3+])nnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000426550707 847232861 /nfs/dbraw/zinc/23/28/61/847232861.db2.gz YLYDSNAKVQAPIX-NWDGAFQWSA-N 2 1 295.456 1.630 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000823557289 925710608 /nfs/dbraw/zinc/71/06/08/925710608.db2.gz JHHDZEMZJPMDFE-NSHDSACASA-N 2 1 285.413 1.001 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+]2CCCC2)C[C@H]1O ZINC000823701085 925723453 /nfs/dbraw/zinc/72/34/53/925723453.db2.gz LLZKAOCZBRXFEE-JKSUJKDBSA-N 3 1 297.487 1.353 50 0 CDAAMP C[NH+](C)C[C@@H]1CCN(CC(C)(C)C[NH+]2CCCC2)C[C@H]1O ZINC000823701085 925723458 /nfs/dbraw/zinc/72/34/58/925723458.db2.gz LLZKAOCZBRXFEE-JKSUJKDBSA-N 2 1 297.487 1.353 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001529110772 968984112 /nfs/dbraw/zinc/98/41/12/968984112.db2.gz ORIKZQQQSFGIKP-UHFFFAOYSA-N 2 1 263.389 1.004 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC1(CO)CCC1 ZINC001506421628 975158111 /nfs/dbraw/zinc/15/81/11/975158111.db2.gz RVBZYUGNCVODJT-LBPRGKRZSA-N 2 1 251.374 1.586 50 0 CDAAMP C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCCCCC1 ZINC000584896044 349357540 /nfs/dbraw/zinc/35/75/40/349357540.db2.gz BVSBFICSFPGGOV-CQSZACIVSA-N 2 1 267.417 1.463 50 0 CDAAMP COc1cccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091494658 180170976 /nfs/dbraw/zinc/17/09/76/180170976.db2.gz MCJQYEOJFVRFET-HUUCEWRRSA-N 2 1 278.396 1.297 50 0 CDAAMP COc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000091494658 180170978 /nfs/dbraw/zinc/17/09/78/180170978.db2.gz MCJQYEOJFVRFET-HUUCEWRRSA-N 2 1 278.396 1.297 50 0 CDAAMP Cc1cc(N2CCC([NH2+]CC3(C)COC3)CC2)nc(C)[nH+]1 ZINC000286319633 356253110 /nfs/dbraw/zinc/25/31/10/356253110.db2.gz DIKFIZUMVYBWCZ-UHFFFAOYSA-N 2 1 290.411 1.688 50 0 CDAAMP CNc1ccnc(N2CCC3(CC[N@@H+](C)C3)CC2)n1 ZINC000065425400 357540500 /nfs/dbraw/zinc/54/05/00/357540500.db2.gz QJWUSBAECMGWJL-UHFFFAOYSA-N 2 1 261.373 1.440 50 0 CDAAMP CNc1cc[nH+]c(N2CCC3(CC[N@H+](C)C3)CC2)n1 ZINC000065425400 357540501 /nfs/dbraw/zinc/54/05/01/357540501.db2.gz QJWUSBAECMGWJL-UHFFFAOYSA-N 2 1 261.373 1.440 50 0 CDAAMP CNc1cc[nH+]c(N2CCC3(CC[N@@H+](C)C3)CC2)n1 ZINC000065425400 357540503 /nfs/dbraw/zinc/54/05/03/357540503.db2.gz QJWUSBAECMGWJL-UHFFFAOYSA-N 2 1 261.373 1.440 50 0 CDAAMP [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000195119597 358551984 /nfs/dbraw/zinc/55/19/84/358551984.db2.gz CJZQUHVFHBWUHT-HOTGVXAUSA-N 2 1 287.407 1.601 50 0 CDAAMP COC[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000095421527 374923944 /nfs/dbraw/zinc/92/39/44/374923944.db2.gz QZUJVECVFMAPCS-AWEZNQCLSA-N 2 1 277.412 1.713 50 0 CDAAMP C[NH+](C)[C@H](C(=O)N[C@H]1CC[C@@H]([NH3+])CC1)c1cccc(F)c1 ZINC000248044771 377194420 /nfs/dbraw/zinc/19/44/20/377194420.db2.gz WCHIWQZNLMFAQJ-ZNMIVQPWSA-N 2 1 293.386 1.815 50 0 CDAAMP c1cc2c(nc[nH+]c2N2CCC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000333546641 285453360 /nfs/dbraw/zinc/45/33/60/285453360.db2.gz OPUWGMHWVMNYEV-CQSZACIVSA-N 2 1 257.341 1.538 50 0 CDAAMP C[C@H]1CCCN(c2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC000089929841 135061096 /nfs/dbraw/zinc/06/10/96/135061096.db2.gz WAHFVMYYARNGSH-ZDUSSCGKSA-N 2 1 275.400 1.465 50 0 CDAAMP c1cn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000136319900 328448936 /nfs/dbraw/zinc/44/89/36/328448936.db2.gz JPTNKWSMTIWFNT-UHFFFAOYSA-N 2 1 285.395 1.532 50 0 CDAAMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000888097909 617759266 /nfs/dbraw/zinc/75/92/66/617759266.db2.gz STOXAKAIDKXYLI-CQSZACIVSA-N 3 1 294.447 1.139 50 0 CDAAMP CC[C@@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147236 850483354 /nfs/dbraw/zinc/48/33/54/850483354.db2.gz AUXQACSRGCSPED-INIZCTEOSA-N 2 1 281.444 1.709 50 0 CDAAMP Cc1n[nH]c(C)c1CC[NH2+][C@H](C)Cn1cc[nH+]c1C ZINC000821495620 925586837 /nfs/dbraw/zinc/58/68/37/925586837.db2.gz OTMSUZDXUBZLGS-SNVBAGLBSA-N 2 1 261.373 1.752 50 0 CDAAMP CN1Cc2ccccc2C[C@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000823764772 925727883 /nfs/dbraw/zinc/72/78/83/925727883.db2.gz FIBDOQCWAGZSDB-KRWDZBQOSA-N 2 1 273.424 1.727 50 0 CDAAMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000095429630 351398064 /nfs/dbraw/zinc/39/80/64/351398064.db2.gz VIWHFHNPZPIKEC-MRLBHPIUSA-N 2 1 297.443 1.083 50 0 CDAAMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558362 356782977 /nfs/dbraw/zinc/78/29/77/356782977.db2.gz IRLTZKCWYYDQOV-MRXNPFEDSA-N 2 1 297.487 1.618 50 0 CDAAMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558362 356782980 /nfs/dbraw/zinc/78/29/80/356782980.db2.gz IRLTZKCWYYDQOV-MRXNPFEDSA-N 2 1 297.487 1.618 50 0 CDAAMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)CC(C)(C)CN1CCOCC1 ZINC000032558362 356782984 /nfs/dbraw/zinc/78/29/84/356782984.db2.gz IRLTZKCWYYDQOV-MRXNPFEDSA-N 2 1 297.487 1.618 50 0 CDAAMP CC(C)C[N@@H+](C)CCN1CC2(CC[NH+](C)CC2)OC1=O ZINC000072469772 357837688 /nfs/dbraw/zinc/83/76/88/357837688.db2.gz XUXGQBLSFBYPKA-UHFFFAOYSA-N 2 1 283.416 1.491 50 0 CDAAMP CCSC[C@@H](C)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383118 360661138 /nfs/dbraw/zinc/66/11/38/360661138.db2.gz JZIYASHCHALCTD-CQSZACIVSA-N 2 1 285.501 1.888 50 0 CDAAMP CC(C)[NH+]1CCC(CN2CCN3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC000106251106 361595215 /nfs/dbraw/zinc/59/52/15/361595215.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 2 1 294.487 1.038 50 0 CDAAMP CCOC(=O)C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089983611 367002291 /nfs/dbraw/zinc/00/22/91/367002291.db2.gz GTEGMCWFKAZKCU-AWEZNQCLSA-N 2 1 268.401 1.746 50 0 CDAAMP CCOC(=O)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089983611 367002295 /nfs/dbraw/zinc/00/22/95/367002295.db2.gz GTEGMCWFKAZKCU-AWEZNQCLSA-N 2 1 268.401 1.746 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1Cl ZINC000001666575 370505108 /nfs/dbraw/zinc/50/51/08/370505108.db2.gz UKZMOMDQRPCKFB-UHFFFAOYSA-N 2 1 251.721 1.526 50 0 CDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299738717 375199139 /nfs/dbraw/zinc/19/91/39/375199139.db2.gz FMRYHZJVWARLMI-MGPQQGTHSA-N 2 1 267.417 1.447 50 0 CDAAMP F[C@@H]1C[NH2+][C@H](CNC2CSCCSC2)C1 ZINC000082137213 390838132 /nfs/dbraw/zinc/83/81/32/390838132.db2.gz BXHRGIDLDHTYJW-IUCAKERBSA-N 2 1 250.408 1.125 50 0 CDAAMP Cc1cc(N2CCc3[nH+]ccc(N)c3C2)nc(C)[nH+]1 ZINC000657208390 414033874 /nfs/dbraw/zinc/03/38/74/414033874.db2.gz KBKVKTULSIOGDO-UHFFFAOYSA-N 2 1 255.325 1.633 50 0 CDAAMP C[C@@H]1CC[NH2+][C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[C@H]1[NH3+] ZINC000757216302 574908222 /nfs/dbraw/zinc/90/82/22/574908222.db2.gz ZLMYRHUJGGZDCW-MVCUBJFGSA-N 2 1 265.323 1.242 50 0 CDAAMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)s1)C(N)=O ZINC000032529823 711815276 /nfs/dbraw/zinc/81/52/76/711815276.db2.gz JDXDTPUVFYAWKE-NSHDSACASA-N 2 1 281.425 1.697 50 0 CDAAMP Cc1c[nH+]ccc1NCCNc1nc(N)[nH+]c(C)c1Cl ZINC001529196125 969011288 /nfs/dbraw/zinc/01/12/88/969011288.db2.gz VMLRYRSPNQMQEK-UHFFFAOYSA-N 2 1 292.774 1.670 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCCn1ccnc1 ZINC001506413757 975154470 /nfs/dbraw/zinc/15/44/70/975154470.db2.gz KKWRHICEODDXPV-ZDUSSCGKSA-N 2 1 261.373 1.710 50 0 CDAAMP C[N@H+](Cc1cc(=O)c2cccc(F)c2[nH]1)C1CC[NH2+]CC1 ZINC000091636395 180211265 /nfs/dbraw/zinc/21/12/65/180211265.db2.gz RLKFESHZHMVZKM-UHFFFAOYSA-N 2 1 289.354 1.851 50 0 CDAAMP C[N@@H+](Cc1cc(=O)c2cccc(F)c2[nH]1)C1CC[NH2+]CC1 ZINC000091636395 180211267 /nfs/dbraw/zinc/21/12/67/180211267.db2.gz RLKFESHZHMVZKM-UHFFFAOYSA-N 2 1 289.354 1.851 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1Br ZINC000000183513 355894473 /nfs/dbraw/zinc/89/44/73/355894473.db2.gz KUOQECBJRJUUOV-UHFFFAOYSA-N 2 1 296.172 1.635 50 0 CDAAMP CSCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554590 363461455 /nfs/dbraw/zinc/46/14/55/363461455.db2.gz OSVOKESMUGCZDC-JSGCOSHPSA-N 2 1 299.484 1.542 50 0 CDAAMP C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089938499 360198494 /nfs/dbraw/zinc/19/84/94/360198494.db2.gz UHOGYVZICJGKTI-ZDUSSCGKSA-N 2 1 275.396 1.524 50 0 CDAAMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000089938499 360198500 /nfs/dbraw/zinc/19/85/00/360198500.db2.gz UHOGYVZICJGKTI-ZDUSSCGKSA-N 2 1 275.396 1.524 50 0 CDAAMP CC[NH+](CC)CC1(NC(=O)[C@H](C)n2cc[nH+]c2C)CC1 ZINC000426511570 360679106 /nfs/dbraw/zinc/67/91/06/360679106.db2.gz FEQUVORSKVQMEI-LBPRGKRZSA-N 2 1 278.400 1.743 50 0 CDAAMP Cc1[nH+]ccn1CCN(C)CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000299782238 372758779 /nfs/dbraw/zinc/75/87/79/372758779.db2.gz XKFZUCOCUZQMAJ-LSDHHAIUSA-N 2 1 262.401 1.608 50 0 CDAAMP Cc1[nH+]ccn1CCN(C)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000299782238 372758792 /nfs/dbraw/zinc/75/87/92/372758792.db2.gz XKFZUCOCUZQMAJ-LSDHHAIUSA-N 2 1 262.401 1.608 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000001666576 391857457 /nfs/dbraw/zinc/85/74/57/391857457.db2.gz AXIUXECRTOGILY-UHFFFAOYSA-N 2 1 251.721 1.526 50 0 CDAAMP Cc1cc(C)c(OCCOCC[NH2+]CC[NH3+])c(Cl)c1 ZINC000022079114 171352610 /nfs/dbraw/zinc/35/26/10/171352610.db2.gz AOBBPBABUIROGU-UHFFFAOYSA-N 2 1 286.803 1.901 50 0 CDAAMP CCCOC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072146254 176324654 /nfs/dbraw/zinc/32/46/54/176324654.db2.gz GACIHZMKKKFYTL-CQSZACIVSA-N 2 1 292.427 1.625 50 0 CDAAMP CCCOC[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCC[NH2+]C3)C1 ZINC000072146254 176324655 /nfs/dbraw/zinc/32/46/55/176324655.db2.gz GACIHZMKKKFYTL-CQSZACIVSA-N 2 1 292.427 1.625 50 0 CDAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2C=CC[NH2+]2)cc1 ZINC000534640767 328336017 /nfs/dbraw/zinc/33/60/17/328336017.db2.gz OXZPWVBLDJLNTR-OAHLLOKOSA-N 2 1 282.347 1.325 50 0 CDAAMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCC1 ZINC000534672293 328347966 /nfs/dbraw/zinc/34/79/66/328347966.db2.gz JSGSNAWQGUQHNI-AWEZNQCLSA-N 2 1 281.444 1.757 50 0 CDAAMP CCc1[nH]c(CN2C[C@H]3COC[C@@H]2C[N@H+](C)C3)c(C)[nH+]1 ZINC001772704173 1159439869 /nfs/dbraw/zinc/43/98/69/1159439869.db2.gz GLRCJGSUZKTNRV-STQMWFEESA-N 2 1 278.400 1.043 50 0 CDAAMP CCc1[nH]c(CN2C[C@H]3COC[C@@H]2C[N@@H+](C)C3)c(C)[nH+]1 ZINC001772704173 1159439873 /nfs/dbraw/zinc/43/98/73/1159439873.db2.gz GLRCJGSUZKTNRV-STQMWFEESA-N 2 1 278.400 1.043 50 0 CDAAMP C[NH+]1CCN([C@@H]2CC[N@H+](CC3CCCCC3)C[C@H]2O)CC1 ZINC000019742828 899215162 /nfs/dbraw/zinc/21/51/62/899215162.db2.gz ZQMJXSOYDJMNPX-IAGOWNOFSA-N 2 1 295.471 1.249 50 0 CDAAMP C[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCCCC3)C[C@H]2O)CC1 ZINC000019742828 899215173 /nfs/dbraw/zinc/21/51/73/899215173.db2.gz ZQMJXSOYDJMNPX-IAGOWNOFSA-N 2 1 295.471 1.249 50 0 CDAAMP C[C@H](CN1CC[NH+](C)CC1)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000823789111 925732785 /nfs/dbraw/zinc/73/27/85/925732785.db2.gz HAJZYFCQZLDOIN-MRXNPFEDSA-N 3 1 294.487 1.040 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000825297045 925862097 /nfs/dbraw/zinc/86/20/97/925862097.db2.gz MIMRXDUUPKYVDN-UHFFFAOYSA-N 2 1 263.389 1.052 50 0 CDAAMP CCCCc1ncc(CN2CCOC[C@H](C[NH+](C)C)C2)[nH]1 ZINC000584900522 341999658 /nfs/dbraw/zinc/99/96/58/341999658.db2.gz OAKCLQXLXQVIQK-CQSZACIVSA-N 2 1 294.443 1.762 50 0 CDAAMP CCc1nccn1CC(=O)N(CC)C[C@@H]1CC[N@@H+](C)C1 ZINC000240517204 361748051 /nfs/dbraw/zinc/74/80/51/361748051.db2.gz NWOHSVVCTDQYIH-CYBMUJFWSA-N 2 1 278.400 1.246 50 0 CDAAMP CCc1[nH+]ccn1CC(=O)N(CC)C[C@@H]1CC[N@H+](C)C1 ZINC000240517204 361748055 /nfs/dbraw/zinc/74/80/55/361748055.db2.gz NWOHSVVCTDQYIH-CYBMUJFWSA-N 2 1 278.400 1.246 50 0 CDAAMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)C1CCCC1 ZINC000252500639 361851146 /nfs/dbraw/zinc/85/11/46/361851146.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 2 1 279.428 1.604 50 0 CDAAMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C1CCCC1 ZINC000252500639 361851147 /nfs/dbraw/zinc/85/11/47/361851147.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 2 1 279.428 1.604 50 0 CDAAMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C1CCCC1 ZINC000252500639 361851148 /nfs/dbraw/zinc/85/11/48/361851148.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 2 1 279.428 1.604 50 0 CDAAMP Cc1csc(C[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)n1 ZINC000244742316 361861492 /nfs/dbraw/zinc/86/14/92/361861492.db2.gz OFQANBWGMOLRHD-UHFFFAOYSA-N 2 1 294.468 1.711 50 0 CDAAMP C[C@H](Cn1ccnc1)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000584896517 349358208 /nfs/dbraw/zinc/35/82/08/349358208.db2.gz LBXAKDMITGSSEB-CYBMUJFWSA-N 2 1 250.390 1.736 50 0 CDAAMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000106158163 186104098 /nfs/dbraw/zinc/10/40/98/186104098.db2.gz SDYDSPXRLDXMIA-CABCVRRESA-N 2 1 275.396 1.500 50 0 CDAAMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000106158163 186104099 /nfs/dbraw/zinc/10/40/99/186104099.db2.gz SDYDSPXRLDXMIA-CABCVRRESA-N 2 1 275.396 1.500 50 0 CDAAMP [NH3+]C1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000114836764 350861818 /nfs/dbraw/zinc/86/18/18/350861818.db2.gz FYVPTKUQGAZWIY-DZGCQCFKSA-N 2 1 251.418 1.674 50 0 CDAAMP O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)NCC1CC1 ZINC000097200650 358188354 /nfs/dbraw/zinc/18/83/54/358188354.db2.gz KZEAABMUAZWRAO-CQSZACIVSA-N 2 1 288.395 1.342 50 0 CDAAMP CN1C[C@@H](C[N@@H+](C)Cc2cc(C[NH+](C)C)cs2)CC1=O ZINC000215738610 358901040 /nfs/dbraw/zinc/90/10/40/358901040.db2.gz DXNWEAPOALUYNB-GFCCVEGCSA-N 2 1 295.452 1.720 50 0 CDAAMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000037644246 369505244 /nfs/dbraw/zinc/50/52/44/369505244.db2.gz CGOHSXGVSPBUPW-AWEZNQCLSA-N 2 1 276.380 1.889 50 0 CDAAMP C[N@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](C)CC1 ZINC000003242443 375599634 /nfs/dbraw/zinc/59/96/34/375599634.db2.gz VQPWLQYSSFVPLU-AWEZNQCLSA-N 2 1 298.452 1.652 50 0 CDAAMP C[N@@H+](C[C@H](O)COCc1cccs1)C1CC[NH+](C)CC1 ZINC000003242443 375599640 /nfs/dbraw/zinc/59/96/40/375599640.db2.gz VQPWLQYSSFVPLU-AWEZNQCLSA-N 2 1 298.452 1.652 50 0 CDAAMP Cc1nc(C[N@H+](C)CC2CC[NH+](CCO)CC2)n(C)c1C ZINC000670449488 483008563 /nfs/dbraw/zinc/00/85/63/483008563.db2.gz GYAXSIVCHIZWLV-UHFFFAOYSA-N 2 1 294.443 1.173 50 0 CDAAMP Cc1nc(C[N@@H+](C)CC2CC[NH+](CCO)CC2)n(C)c1C ZINC000670449488 483008569 /nfs/dbraw/zinc/00/85/69/483008569.db2.gz GYAXSIVCHIZWLV-UHFFFAOYSA-N 2 1 294.443 1.173 50 0 CDAAMP CC[N@@H+](C)C1(CNC(=O)[C@@H]2CC[NH+](C)C2)CCCCC1 ZINC000670450797 483016005 /nfs/dbraw/zinc/01/60/05/483016005.db2.gz DIGNDCFDRPYIDZ-CQSZACIVSA-N 2 1 281.444 1.709 50 0 CDAAMP CC[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000670450797 483016008 /nfs/dbraw/zinc/01/60/08/483016008.db2.gz DIGNDCFDRPYIDZ-CQSZACIVSA-N 2 1 281.444 1.709 50 0 CDAAMP CC[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC000670450797 483016011 /nfs/dbraw/zinc/01/60/11/483016011.db2.gz DIGNDCFDRPYIDZ-CQSZACIVSA-N 2 1 281.444 1.709 50 0 CDAAMP C[C@H](C[N@H+]1CCc2ccccc2C1)Nc1nnc(CN)o1 ZINC001772709106 1159443282 /nfs/dbraw/zinc/44/32/82/1159443282.db2.gz HVDBAHCUGZUDFQ-LLVKDONJSA-N 2 1 287.367 1.387 50 0 CDAAMP C[N@H+]1CCC2(C1)CC[NH+](C[C@H]1CCCCO1)CC2 ZINC000823770091 925728238 /nfs/dbraw/zinc/72/82/38/925728238.db2.gz MBVVPHCBWGOAHE-CQSZACIVSA-N 2 1 252.402 1.973 50 0 CDAAMP Cc1nn(CC[NH2+]C2CC[NH+](C)CC2)c(C)c1C ZINC000823765110 925728495 /nfs/dbraw/zinc/72/84/95/925728495.db2.gz VVVOPIXGPIUIDB-UHFFFAOYSA-N 2 1 250.390 1.492 50 0 CDAAMP c1ccc(N2CC[C@H]([N@@H+]3[C@@H]4CC[C@H]3[C@H]3C[NH2+]C[C@H]34)C2)cc1 ZINC001506411269 975154561 /nfs/dbraw/zinc/15/45/61/975154561.db2.gz PIDUZWHHSWHDRW-IECFSIQFSA-N 2 1 283.419 1.948 50 0 CDAAMP CC(C)=CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000095983992 185055078 /nfs/dbraw/zinc/05/50/78/185055078.db2.gz XKZRYSAZHFJVPD-UHFFFAOYSA-N 2 1 253.434 1.910 50 0 CDAAMP Cc1ccc(NC[C@@H]2CC[N@H+]([C@@H]3C[C@H](C)OC3=O)C2)nc1 ZINC000097200821 342217029 /nfs/dbraw/zinc/21/70/29/342217029.db2.gz VSASMZSSGSEMJL-MELADBBJSA-N 2 1 289.379 1.828 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000252503731 362390483 /nfs/dbraw/zinc/39/04/83/362390483.db2.gz VGIGDUGUOLDRCS-UHFFFAOYSA-N 2 1 273.384 1.869 50 0 CDAAMP CC(C)Oc1ccccc1OCCOCC[NH2+]CC[NH3+] ZINC000019772471 356501111 /nfs/dbraw/zinc/50/11/11/356501111.db2.gz YNYNXQAJGISMBW-UHFFFAOYSA-N 2 1 282.384 1.418 50 0 CDAAMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CCCCCC1 ZINC000096436182 357472322 /nfs/dbraw/zinc/47/23/22/357472322.db2.gz WYSLSWFNDCYREB-UONOGXRCSA-N 2 1 267.417 1.319 50 0 CDAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](C)C2)n1C ZINC000095353332 358682415 /nfs/dbraw/zinc/68/24/15/358682415.db2.gz DSPSCFCIFNFKIC-GFCCVEGCSA-N 2 1 274.372 1.178 50 0 CDAAMP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](C)C2)n1C ZINC000095353332 358682420 /nfs/dbraw/zinc/68/24/20/358682420.db2.gz DSPSCFCIFNFKIC-GFCCVEGCSA-N 2 1 274.372 1.178 50 0 CDAAMP Cc1[nH+]cn(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000221189335 359215926 /nfs/dbraw/zinc/21/59/26/359215926.db2.gz WKLFJDMHOGUZFC-CQSZACIVSA-N 2 1 278.400 1.443 50 0 CDAAMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000191454512 361059348 /nfs/dbraw/zinc/05/93/48/361059348.db2.gz OFDNEFLRXNUJBB-INIZCTEOSA-N 2 1 283.460 1.513 50 0 CDAAMP C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000037887393 374820407 /nfs/dbraw/zinc/82/04/07/374820407.db2.gz PTSKDJMDPNHXBI-CQSZACIVSA-N 2 1 252.333 1.543 50 0 CDAAMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738848 375199873 /nfs/dbraw/zinc/19/98/73/375199873.db2.gz HGDZUPIHBXPBAJ-ZIAGYGMSSA-N 2 1 267.417 1.319 50 0 CDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@@H+](CC)C1)[C@H]2O ZINC000250221049 377101933 /nfs/dbraw/zinc/10/19/33/377101933.db2.gz WKQPIKSIYRSCAO-QDMKHBRRSA-N 2 1 254.418 1.859 50 0 CDAAMP CCc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)on1 ZINC000072133621 176321819 /nfs/dbraw/zinc/32/18/19/176321819.db2.gz UJSAQHNZLFRTHH-HNNXBMFYSA-N 2 1 281.400 1.516 50 0 CDAAMP CCCn1ccnc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072144888 176324940 /nfs/dbraw/zinc/32/49/40/176324940.db2.gz XWRIMQIRYIMFAM-INIZCTEOSA-N 2 1 294.443 1.572 50 0 CDAAMP CCCn1ccnc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)CC1 ZINC000072144888 176324941 /nfs/dbraw/zinc/32/49/41/176324941.db2.gz XWRIMQIRYIMFAM-INIZCTEOSA-N 2 1 294.443 1.572 50 0 CDAAMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC000026896588 277192745 /nfs/dbraw/zinc/19/27/45/277192745.db2.gz UMWHGGWSANLOKM-LBPRGKRZSA-N 2 1 269.389 1.419 50 0 CDAAMP Cc1[nH+]cn(CC[NH2+]C2CSCCSC2)c1C ZINC000670472620 483081881 /nfs/dbraw/zinc/08/18/81/483081881.db2.gz HHCXJANQBPBQBG-UHFFFAOYSA-N 2 1 271.455 1.938 50 0 CDAAMP CC[N@H+]1CCC[C@@](C)(C[NH+]2CCC[C@H](CO)C2)C1 ZINC000199296805 906392457 /nfs/dbraw/zinc/39/24/57/906392457.db2.gz XJCQVGGYQAVAFX-LSDHHAIUSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@@](C)(C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000199296805 906392464 /nfs/dbraw/zinc/39/24/64/906392464.db2.gz XJCQVGGYQAVAFX-LSDHHAIUSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@@](C)(C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000199296805 906392481 /nfs/dbraw/zinc/39/24/81/906392481.db2.gz XJCQVGGYQAVAFX-LSDHHAIUSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[N@H+](C)C[C@@H](C)NCCNc1cc[nH+]cc1C ZINC000823074733 925666434 /nfs/dbraw/zinc/66/64/34/925666434.db2.gz JONQCQQUQMFEIB-CYBMUJFWSA-N 2 1 250.390 1.154 50 0 CDAAMP CC[N@@H+](C)C[C@@H](C)NCCNc1cc[nH+]cc1C ZINC000823074733 925666438 /nfs/dbraw/zinc/66/64/38/925666438.db2.gz JONQCQQUQMFEIB-CYBMUJFWSA-N 2 1 250.390 1.154 50 0 CDAAMP CC[N@@H+](C)C1(CNC(=O)CC[NH+]2CCCC2)CCCC1 ZINC000823067850 925666921 /nfs/dbraw/zinc/66/69/21/925666921.db2.gz OEGQEYCJGLUDRF-UHFFFAOYSA-N 2 1 281.444 1.853 50 0 CDAAMP C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCCCCC1 ZINC000584896040 349357496 /nfs/dbraw/zinc/35/74/96/349357496.db2.gz BVSBFICSFPGGOV-AWEZNQCLSA-N 2 1 267.417 1.463 50 0 CDAAMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@H+](C)C2)nc1N(C)C ZINC000584888602 349346947 /nfs/dbraw/zinc/34/69/47/349346947.db2.gz ZEXKPBAMOPTDGA-ZDUSSCGKSA-N 2 1 277.416 1.417 50 0 CDAAMP Cc1c[nH+]c(NCC[C@@H]2CCC[N@@H+](C)C2)nc1N(C)C ZINC000584888602 349346953 /nfs/dbraw/zinc/34/69/53/349346953.db2.gz ZEXKPBAMOPTDGA-ZDUSSCGKSA-N 2 1 277.416 1.417 50 0 CDAAMP Cn1ccc2cc(C[N@@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)ccc21 ZINC000091643755 180214082 /nfs/dbraw/zinc/21/40/82/180214082.db2.gz OMAINJGCCZAWOV-WMZOPIPTSA-N 2 1 299.418 1.725 50 0 CDAAMP Cn1ccc2cc(C[N@H+]3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)ccc21 ZINC000091643755 180214085 /nfs/dbraw/zinc/21/40/85/180214085.db2.gz OMAINJGCCZAWOV-WMZOPIPTSA-N 2 1 299.418 1.725 50 0 CDAAMP Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091626005 180209269 /nfs/dbraw/zinc/20/92/69/180209269.db2.gz CWNGEOVUHGJSSH-HUUCEWRRSA-N 2 1 280.387 1.736 50 0 CDAAMP Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091626005 180209270 /nfs/dbraw/zinc/20/92/70/180209270.db2.gz CWNGEOVUHGJSSH-HUUCEWRRSA-N 2 1 280.387 1.736 50 0 CDAAMP O=C(C[N@H+]1CC[C@@H](CNc2ccccn2)C1)NCC1CC1 ZINC000097200649 358188721 /nfs/dbraw/zinc/18/87/21/358188721.db2.gz KZEAABMUAZWRAO-AWEZNQCLSA-N 2 1 288.395 1.342 50 0 CDAAMP CCCCSc1nc(N2CC[C@@H](C[NH3+])C2)cc(N)[nH+]1 ZINC000095379933 358689512 /nfs/dbraw/zinc/68/95/12/358689512.db2.gz ZTNLADYXNAAHPR-JTQLQIEISA-N 2 1 281.429 1.736 50 0 CDAAMP CCCCSc1nc(N)cc(N2CC[C@@H](C[NH3+])C2)[nH+]1 ZINC000095379933 358689514 /nfs/dbraw/zinc/68/95/14/358689514.db2.gz ZTNLADYXNAAHPR-JTQLQIEISA-N 2 1 281.429 1.736 50 0 CDAAMP Cc1[nH+]ccn1CC1(CNC(=O)C[C@H]2CCC[N@H+]2C)CC1 ZINC000097602245 358787608 /nfs/dbraw/zinc/78/76/08/358787608.db2.gz XFWONAZNZHZHTJ-CQSZACIVSA-N 2 1 290.411 1.572 50 0 CDAAMP Cc1[nH+]ccn1CC1(CNC(=O)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000097602245 358787612 /nfs/dbraw/zinc/78/76/12/358787612.db2.gz XFWONAZNZHZHTJ-CQSZACIVSA-N 2 1 290.411 1.572 50 0 CDAAMP CCc1ccc(C[N@H+]2CC[C@@H](N3CCN(C)CC3)C2)nc1 ZINC000215485705 358890788 /nfs/dbraw/zinc/89/07/88/358890788.db2.gz ROESBPAAMSFGEH-QGZVFWFLSA-N 2 1 288.439 1.466 50 0 CDAAMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639461 364419048 /nfs/dbraw/zinc/41/90/48/364419048.db2.gz KQLCPLWCBAMGBO-DOMZBBRYSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639461 364419055 /nfs/dbraw/zinc/41/90/55/364419055.db2.gz KQLCPLWCBAMGBO-DOMZBBRYSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639461 364419060 /nfs/dbraw/zinc/41/90/60/364419060.db2.gz KQLCPLWCBAMGBO-DOMZBBRYSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@H](C)C1 ZINC000093639461 364419066 /nfs/dbraw/zinc/41/90/66/364419066.db2.gz KQLCPLWCBAMGBO-DOMZBBRYSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000252489752 367583283 /nfs/dbraw/zinc/58/32/83/367583283.db2.gz JZEXERQXNBQUGI-MRXNPFEDSA-N 2 1 293.455 1.946 50 0 CDAAMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021987 390822613 /nfs/dbraw/zinc/82/26/13/390822613.db2.gz IINJXOIZFRSOGL-DGCLKSJQSA-N 2 1 262.353 1.627 50 0 CDAAMP CCCCc1nc(NCC[NH2+]C2CCOCC2)cc(C)[nH+]1 ZINC000534632511 328332155 /nfs/dbraw/zinc/33/21/55/328332155.db2.gz UOOKYBRLDHTXAR-UHFFFAOYSA-N 2 1 292.427 1.730 50 0 CDAAMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000585117012 930969702 /nfs/dbraw/zinc/96/97/02/930969702.db2.gz OXKWCWHYPNZXAG-HIFRSBDPSA-N 2 1 264.417 1.972 50 0 CDAAMP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000585117012 930969709 /nfs/dbraw/zinc/96/97/09/930969709.db2.gz OXKWCWHYPNZXAG-HIFRSBDPSA-N 2 1 264.417 1.972 50 0 CDAAMP CCSCC[N@@H+]1CCC[C@](CO)(C[NH+](C)C)C1 ZINC001506400256 975149226 /nfs/dbraw/zinc/14/92/26/975149226.db2.gz BGCDYONHSBOFML-ZDUSSCGKSA-N 2 1 260.447 1.376 50 0 CDAAMP CCSCC[N@H+]1CCC[C@](CO)(C[NH+](C)C)C1 ZINC001506400256 975149228 /nfs/dbraw/zinc/14/92/28/975149228.db2.gz BGCDYONHSBOFML-ZDUSSCGKSA-N 2 1 260.447 1.376 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012574527 356309925 /nfs/dbraw/zinc/30/99/25/356309925.db2.gz DYTPRJZEWBJYCO-GFCCVEGCSA-N 2 1 265.401 1.071 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012574527 356309927 /nfs/dbraw/zinc/30/99/27/356309927.db2.gz DYTPRJZEWBJYCO-GFCCVEGCSA-N 2 1 265.401 1.071 50 0 CDAAMP Cc1ccccc1C[N@H+]1CCCN(CCC[NH3+])CC1 ZINC000037038100 356897210 /nfs/dbraw/zinc/89/72/10/356897210.db2.gz XEVLWLWPJKXLHN-UHFFFAOYSA-N 2 1 261.413 1.852 50 0 CDAAMP CC(C)[N@H+](CCNC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000095351226 374887816 /nfs/dbraw/zinc/88/78/16/374887816.db2.gz ZFCLUROCQMFWKL-UHFFFAOYSA-N 2 1 294.443 1.349 50 0 CDAAMP CC(C)[N@@H+](CCNC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000095351226 374887822 /nfs/dbraw/zinc/88/78/22/374887822.db2.gz ZFCLUROCQMFWKL-UHFFFAOYSA-N 2 1 294.443 1.349 50 0 CDAAMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000240471633 376016858 /nfs/dbraw/zinc/01/68/58/376016858.db2.gz GDILOLXJPWOZLM-RWMBFGLXSA-N 2 1 291.361 1.839 50 0 CDAAMP Cc1nc(CC[NH3+])cc(N2CCC[N@H+](CC(C)C)CC2)n1 ZINC000067868410 377273302 /nfs/dbraw/zinc/27/33/02/377273302.db2.gz QELNGVNSIHQWSY-UHFFFAOYSA-N 2 1 291.443 1.454 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000223675796 391927942 /nfs/dbraw/zinc/92/79/42/391927942.db2.gz CZZXLDWXLVABNN-CYBMUJFWSA-N 2 1 276.384 1.260 50 0 CDAAMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856019 140398776 /nfs/dbraw/zinc/39/87/76/140398776.db2.gz XEGNLKHGZQVCOH-AEGPPILISA-N 2 1 273.380 1.684 50 0 CDAAMP CN(C)c1nc(NCc2ccc3c(c2)C[NH2+]C3)cc[nH+]1 ZINC000097829784 147126050 /nfs/dbraw/zinc/12/60/50/147126050.db2.gz VNVRVSSARGMZOE-UHFFFAOYSA-N 2 1 269.352 1.758 50 0 CDAAMP CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000003683517 276319266 /nfs/dbraw/zinc/31/92/66/276319266.db2.gz PPCBIZLRRZTOBD-CQSZACIVSA-N 2 1 281.444 1.661 50 0 CDAAMP CCN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000003683517 276319268 /nfs/dbraw/zinc/31/92/68/276319268.db2.gz PPCBIZLRRZTOBD-CQSZACIVSA-N 2 1 281.444 1.661 50 0 CDAAMP CC[C@@H]1C[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CCN1C(C)C ZINC000952980838 679818883 /nfs/dbraw/zinc/81/88/83/679818883.db2.gz KYFMNZPMZBCCLY-KBXIAJHMSA-N 2 1 251.418 1.256 50 0 CDAAMP CC[C@@H]1CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC[N@@H+]1C(C)C ZINC000952980838 679818885 /nfs/dbraw/zinc/81/88/85/679818885.db2.gz KYFMNZPMZBCCLY-KBXIAJHMSA-N 2 1 251.418 1.256 50 0 CDAAMP CC[C@@H]1CN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC[N@H+]1C(C)C ZINC000952980838 679818886 /nfs/dbraw/zinc/81/88/86/679818886.db2.gz KYFMNZPMZBCCLY-KBXIAJHMSA-N 2 1 251.418 1.256 50 0 CDAAMP C[C@H]1CCCC[N@H+]1C1CN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000952990107 682145138 /nfs/dbraw/zinc/14/51/38/682145138.db2.gz GBQQOBJCIXULPV-HNNXBMFYSA-N 2 1 293.455 1.948 50 0 CDAAMP CC[C@H](C(=O)NCC[NH+]1CCCCC1)[N@@H+](C)CC ZINC000822555075 1161928535 /nfs/dbraw/zinc/92/85/35/1161928535.db2.gz JIBHGDVYFVSPNW-CYBMUJFWSA-N 2 1 255.406 1.319 50 0 CDAAMP C[NH+](C)CCCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000828713505 926168697 /nfs/dbraw/zinc/16/86/97/926168697.db2.gz GCUABCSLARIBDQ-MRXNPFEDSA-N 2 1 292.423 1.831 50 0 CDAAMP Cc1c[nH+]c(NCCC2CC[NH+](C)CC2)nc1N(C)C ZINC001529151253 968995138 /nfs/dbraw/zinc/99/51/38/968995138.db2.gz JCJDFSUEQBXSKC-UHFFFAOYSA-N 2 1 277.416 1.995 50 0 CDAAMP CC(C)C[NH+]1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC000067713790 356810124 /nfs/dbraw/zinc/81/01/24/356810124.db2.gz HNWMKXUMIDKTIO-UHFFFAOYSA-N 2 1 255.406 1.221 50 0 CDAAMP CC[NH+]1CCN(C(=O)CC[NH+]2CCCCCCC2)CC1 ZINC000055088596 357328454 /nfs/dbraw/zinc/32/84/54/357328454.db2.gz HDSGHXWSORIEFH-UHFFFAOYSA-N 2 1 281.444 1.807 50 0 CDAAMP C[C@H](NCc1nncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000097110949 357986553 /nfs/dbraw/zinc/98/65/53/357986553.db2.gz VUZZMUCDIAPGBP-QWHCGFSZSA-N 2 1 277.416 1.558 50 0 CDAAMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178551730 189126067 /nfs/dbraw/zinc/12/60/67/189126067.db2.gz LDNNGYPSMAVLIK-TZMCWYRMSA-N 2 1 261.369 1.097 50 0 CDAAMP C[C@H]1C[N@H+](C2CCN(C[C@@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000089941159 366974670 /nfs/dbraw/zinc/97/46/70/366974670.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1C[NH+](C2CCN(C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941159 366974675 /nfs/dbraw/zinc/97/46/75/366974675.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1C[NH+](C2CCN(C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941159 366974679 /nfs/dbraw/zinc/97/46/79/366974679.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1CN(C2CC[NH+](C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941159 366974684 /nfs/dbraw/zinc/97/46/84/366974684.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@H]1CN(C2CC[NH+](C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941159 366974686 /nfs/dbraw/zinc/97/46/86/366974686.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 2 1 281.444 1.123 50 0 CDAAMP OC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299801727 372772838 /nfs/dbraw/zinc/77/28/38/372772838.db2.gz YMTFPDFZSOIGFC-CQSZACIVSA-N 2 1 276.380 1.373 50 0 CDAAMP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NC1CC1 ZINC000253431579 373746350 /nfs/dbraw/zinc/74/63/50/373746350.db2.gz SIIBSBGQXVMXLB-UHFFFAOYSA-N 2 1 279.428 1.652 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(CC[NH+](C)C)c1 ZINC000097037673 375139458 /nfs/dbraw/zinc/13/94/58/375139458.db2.gz QSJBCARSVWVSQO-IPYPFGDCSA-N 2 1 279.432 1.585 50 0 CDAAMP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261629220 303088902 /nfs/dbraw/zinc/08/89/02/303088902.db2.gz CLLJPKHCJXBMMA-DZGCQCFKSA-N 2 1 262.401 1.947 50 0 CDAAMP Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261629220 303088904 /nfs/dbraw/zinc/08/89/04/303088904.db2.gz CLLJPKHCJXBMMA-DZGCQCFKSA-N 2 1 262.401 1.947 50 0 CDAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C=CC[NH2+]2)cc1 ZINC000534640766 328335994 /nfs/dbraw/zinc/33/59/94/328335994.db2.gz OXZPWVBLDJLNTR-HNNXBMFYSA-N 2 1 282.347 1.325 50 0 CDAAMP CN1CCC[N@@H+](CC[C@@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667434 328345776 /nfs/dbraw/zinc/34/57/76/328345776.db2.gz PDGFFNHGEQDFIX-CYBMUJFWSA-N 2 1 287.398 1.791 50 0 CDAAMP CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[N@@H+](C)CC ZINC000822554853 1161928329 /nfs/dbraw/zinc/92/83/29/1161928329.db2.gz OGBLGSWAWYYMTC-ZDUSSCGKSA-N 2 1 269.433 1.707 50 0 CDAAMP [NH3+]C[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C[NH2+]1 ZINC000757211930 574906524 /nfs/dbraw/zinc/90/65/24/574906524.db2.gz JJIVXKCAOKVNDZ-XWLWVQCSSA-N 2 1 265.323 1.244 50 0 CDAAMP CC[N@H+]1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000067855427 687386764 /nfs/dbraw/zinc/38/67/64/687386764.db2.gz VQDWRQCBVZKFRR-CYBMUJFWSA-N 2 1 250.390 1.644 50 0 CDAAMP CN1Cc2ccccc2C[C@@H]1C[NH2+]C1CC[NH+](C)CC1 ZINC000823764773 925727943 /nfs/dbraw/zinc/72/79/43/925727943.db2.gz FIBDOQCWAGZSDB-QGZVFWFLSA-N 2 1 273.424 1.727 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@@H]3C[N@H+](C)CCN3C)c2c1 ZINC001506399582 975148869 /nfs/dbraw/zinc/14/88/69/975148869.db2.gz AQOJMRGOVBEBSZ-OAHLLOKOSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC001506399582 975148871 /nfs/dbraw/zinc/14/88/71/975148871.db2.gz AQOJMRGOVBEBSZ-OAHLLOKOSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1cc(C)c2[nH+]ccc(NC[C@@H]3CN(C)CC[N@H+]3C)c2c1 ZINC001506399582 975148873 /nfs/dbraw/zinc/14/88/73/975148873.db2.gz AQOJMRGOVBEBSZ-OAHLLOKOSA-N 2 1 298.434 1.931 50 0 CDAAMP Cc1nncn1CC[NH+]1CCC2(CC1)CCC[N@H+](C)CC2 ZINC001506421239 975158069 /nfs/dbraw/zinc/15/80/69/975158069.db2.gz HSBTYLRQAYVGEL-UHFFFAOYSA-N 2 1 291.443 1.784 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000262670353 362017917 /nfs/dbraw/zinc/01/79/17/362017917.db2.gz NLRHAMHFAWGMPF-MQYQWHSLSA-N 2 1 267.417 1.303 50 0 CDAAMP CCc1c(C)[nH+]c(N)nc1NCCc1[nH]cc(C)[nH+]1 ZINC000091256054 180114776 /nfs/dbraw/zinc/11/47/76/180114776.db2.gz MFYKCTRLDIYSIF-UHFFFAOYSA-N 2 1 260.345 1.616 50 0 CDAAMP Cc1ccc(Nc2cc(N3CC[NH2+]CC3)cn[nH+]2)cc1 ZINC000032624412 356322098 /nfs/dbraw/zinc/32/20/98/356322098.db2.gz TVWZVHRWCRCFFA-UHFFFAOYSA-N 2 1 269.352 1.938 50 0 CDAAMP CCc1ccc(OCCOCC[NH2+]CC[NH3+])cc1 ZINC000019772475 356501087 /nfs/dbraw/zinc/50/10/87/356501087.db2.gz RYRJCGNNYCCCOX-UHFFFAOYSA-N 2 1 252.358 1.193 50 0 CDAAMP C[NH2+]C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000067954787 357640199 /nfs/dbraw/zinc/64/01/99/357640199.db2.gz SDKYMYRROLHANG-CYBMUJFWSA-N 2 1 269.433 1.469 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC)CCOCC2)[C@@H](C)C1 ZINC000195563330 358565547 /nfs/dbraw/zinc/56/55/47/358565547.db2.gz PHRYXUSUVCPLHH-UONOGXRCSA-N 2 1 298.427 1.276 50 0 CDAAMP OC[C@@H]1C[N@@H+](Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421499 360229981 /nfs/dbraw/zinc/22/99/81/360229981.db2.gz ZLJCQDUIHBAHHP-AWEZNQCLSA-N 2 1 278.371 1.620 50 0 CDAAMP C[C@H](CCn1cccn1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000426661969 360694334 /nfs/dbraw/zinc/69/43/34/360694334.db2.gz GKWRWPLZIIZCOX-CQSZACIVSA-N 2 1 262.401 1.737 50 0 CDAAMP CCCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252513902 367726015 /nfs/dbraw/zinc/72/60/15/367726015.db2.gz AQWQWFFHNJJHCD-HIFRSBDPSA-N 2 1 281.444 1.979 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CCC[NH2+]C)[C@H](C)C1 ZINC000430799199 285384292 /nfs/dbraw/zinc/38/42/92/285384292.db2.gz WNYDKRPOMFCMGZ-OLZOCXBDSA-N 2 1 255.406 1.175 50 0 CDAAMP CC(C)NC(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000012205937 391412198 /nfs/dbraw/zinc/41/21/98/391412198.db2.gz PEXVNUNEIOBZQA-ZDUSSCGKSA-N 2 1 267.417 1.317 50 0 CDAAMP CC(C)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012205937 391412202 /nfs/dbraw/zinc/41/22/02/391412202.db2.gz PEXVNUNEIOBZQA-ZDUSSCGKSA-N 2 1 267.417 1.317 50 0 CDAAMP CC(C)NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012205937 391412204 /nfs/dbraw/zinc/41/22/04/391412204.db2.gz PEXVNUNEIOBZQA-ZDUSSCGKSA-N 2 1 267.417 1.317 50 0 CDAAMP CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739310 279134117 /nfs/dbraw/zinc/13/41/17/279134117.db2.gz NFYBWFJPNXYVLH-MGPQQGTHSA-N 2 1 269.433 1.549 50 0 CDAAMP CC[N@H+]1CCC[C@@H](N2CC[NH+](C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293004 /nfs/dbraw/zinc/29/30/04/279293004.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293005 /nfs/dbraw/zinc/29/30/05/279293005.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 2 1 253.434 1.885 50 0 CDAAMP CC[NH+]1CCC[C@@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293006 /nfs/dbraw/zinc/29/30/06/279293006.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 2 1 253.434 1.885 50 0 CDAAMP C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)C[C@@](C)(C1)C2 ZINC000534649302 328343783 /nfs/dbraw/zinc/34/37/83/328343783.db2.gz VFNKGHFVGANEEA-WTTBNOFXSA-N 2 1 293.455 1.694 50 0 CDAAMP Cc1[nH+]ccn1CCN1CCC([NH+]2CCC(O)CC2)CC1 ZINC000244873078 688213666 /nfs/dbraw/zinc/21/36/66/688213666.db2.gz WJRBZQJKCKEWJY-UHFFFAOYSA-N 2 1 292.427 1.113 50 0 CDAAMP CCn1nnc(C)c1C[N@H+]1CC[C@@H](CC[NH+](C)C)C1 ZINC000952880292 910442348 /nfs/dbraw/zinc/44/23/48/910442348.db2.gz CIFPFWKNCSBTSY-CYBMUJFWSA-N 2 1 265.405 1.380 50 0 CDAAMP CC[N@H+](C)C[C@H](C)NCCNc1cc[nH+]cc1C ZINC000823074734 925667447 /nfs/dbraw/zinc/66/74/47/925667447.db2.gz JONQCQQUQMFEIB-ZDUSSCGKSA-N 2 1 250.390 1.154 50 0 CDAAMP CC[N@@H+](C)C[C@H](C)NCCNc1cc[nH+]cc1C ZINC000823074734 925667451 /nfs/dbraw/zinc/66/74/51/925667451.db2.gz JONQCQQUQMFEIB-ZDUSSCGKSA-N 2 1 250.390 1.154 50 0 CDAAMP C[C@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)[NH+]1CCCCCC1 ZINC000685939539 539045753 /nfs/dbraw/zinc/04/57/53/539045753.db2.gz YQXMSUPDGINDGU-CVEARBPZSA-N 2 1 293.455 1.948 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000685939660 539045775 /nfs/dbraw/zinc/04/57/75/539045775.db2.gz XJBXDRNIQXEHLD-GJZGRUSLSA-N 2 1 279.428 1.604 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000685939660 539045776 /nfs/dbraw/zinc/04/57/76/539045776.db2.gz XJBXDRNIQXEHLD-GJZGRUSLSA-N 2 1 279.428 1.604 50 0 CDAAMP CC(C)[C@H]1[N@@H+](Cc2ccccc2)C[C@@]12C[C@@H]([NH3+])[C@H](O)C2 ZINC000685944109 539046065 /nfs/dbraw/zinc/04/60/65/539046065.db2.gz LVUNZYDAQWYWGR-VQHPVUNQSA-N 2 1 274.408 1.995 50 0 CDAAMP c1ccc(C[N@@H+]2CCCNCC[NH2+]CCCNCC2)cc1 ZINC000022588639 356617557 /nfs/dbraw/zinc/61/75/57/356617557.db2.gz WNEKVKFZHNGHEH-UHFFFAOYSA-N 2 1 290.455 1.051 50 0 CDAAMP c1ccc(C[N@H+]2CCCNCC[NH2+]CCCNCC2)cc1 ZINC000022588639 356617560 /nfs/dbraw/zinc/61/75/60/356617560.db2.gz WNEKVKFZHNGHEH-UHFFFAOYSA-N 2 1 290.455 1.051 50 0 CDAAMP CCc1[nH+]ccn1CCC[NH2+][C@H]1CCCN(CC)C1 ZINC000065461409 357543532 /nfs/dbraw/zinc/54/35/32/357543532.db2.gz TTXJGRNDBFSAAU-AWEZNQCLSA-N 2 1 264.417 1.910 50 0 CDAAMP C[N@H+](CC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C)C1CC1 ZINC000248124876 360385008 /nfs/dbraw/zinc/38/50/08/360385008.db2.gz LIRRQMWHNXVVMF-ZIAGYGMSSA-N 2 1 265.401 1.166 50 0 CDAAMP C[N@@H+](CC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C)C1CC1 ZINC000248124876 360385011 /nfs/dbraw/zinc/38/50/11/360385011.db2.gz LIRRQMWHNXVVMF-ZIAGYGMSSA-N 2 1 265.401 1.166 50 0 CDAAMP C[NH+](CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000248124876 360385014 /nfs/dbraw/zinc/38/50/14/360385014.db2.gz LIRRQMWHNXVVMF-ZIAGYGMSSA-N 2 1 265.401 1.166 50 0 CDAAMP C[NH+](CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C1CC1 ZINC000248124876 360385015 /nfs/dbraw/zinc/38/50/15/360385015.db2.gz LIRRQMWHNXVVMF-ZIAGYGMSSA-N 2 1 265.401 1.166 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3nsnc3c1)C2 ZINC000426658631 360693013 /nfs/dbraw/zinc/69/30/13/360693013.db2.gz ZYQBSVXJNVROIX-YABSGUDNSA-N 2 1 274.393 1.860 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc3nsnc3c1)C2 ZINC000426658631 360693017 /nfs/dbraw/zinc/69/30/17/360693017.db2.gz ZYQBSVXJNVROIX-YABSGUDNSA-N 2 1 274.393 1.860 50 0 CDAAMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000178551742 189126264 /nfs/dbraw/zinc/12/62/64/189126264.db2.gz LDNNGYPSMAVLIK-JSGCOSHPSA-N 2 1 261.369 1.097 50 0 CDAAMP Fc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000426602552 260881337 /nfs/dbraw/zinc/88/13/37/260881337.db2.gz SJNUZBLPMHLWKG-GFCCVEGCSA-N 2 1 281.350 1.885 50 0 CDAAMP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC(C)(C)C)C2)CC1 ZINC000020542330 277027223 /nfs/dbraw/zinc/02/72/23/277027223.db2.gz XETHINUHJAPLBL-ZDUSSCGKSA-N 2 1 281.444 1.707 50 0 CDAAMP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC(C)(C)C)C2)CC1 ZINC000020542330 277027224 /nfs/dbraw/zinc/02/72/24/277027224.db2.gz XETHINUHJAPLBL-ZDUSSCGKSA-N 2 1 281.444 1.707 50 0 CDAAMP CN1CCC[N@@H+](C[C@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666306 328345284 /nfs/dbraw/zinc/34/52/84/328345284.db2.gz LXFWJZBRVOPZAI-OAHLLOKOSA-N 2 1 281.444 1.173 50 0 CDAAMP CC(C)[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000097049155 567903663 /nfs/dbraw/zinc/90/36/63/567903663.db2.gz RQDDIQPKAZVNQM-OAHLLOKOSA-N 2 1 275.396 1.629 50 0 CDAAMP CC(C)[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000097049155 567903664 /nfs/dbraw/zinc/90/36/64/567903664.db2.gz RQDDIQPKAZVNQM-OAHLLOKOSA-N 2 1 275.396 1.629 50 0 CDAAMP CC(C)(CN1CCOCC1)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000032553361 725230119 /nfs/dbraw/zinc/23/01/19/725230119.db2.gz VTBFXLWMELDWQV-HNNXBMFYSA-N 2 1 283.460 1.406 50 0 CDAAMP CC[N@H+]1CCC[C@](C)(C[NH+]2CCC[C@H](CO)C2)C1 ZINC000199296823 906391448 /nfs/dbraw/zinc/39/14/48/906391448.db2.gz XJCQVGGYQAVAFX-GJZGRUSLSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@](C)(C[N@@H+]2CCC[C@H](CO)C2)C1 ZINC000199296823 906391465 /nfs/dbraw/zinc/39/14/65/906391465.db2.gz XJCQVGGYQAVAFX-GJZGRUSLSA-N 2 1 254.418 1.813 50 0 CDAAMP CC[NH+]1CCC[C@](C)(C[N@H+]2CCC[C@H](CO)C2)C1 ZINC000199296823 906391476 /nfs/dbraw/zinc/39/14/76/906391476.db2.gz XJCQVGGYQAVAFX-GJZGRUSLSA-N 2 1 254.418 1.813 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000821751102 925594926 /nfs/dbraw/zinc/59/49/26/925594926.db2.gz FVOCEUJMMVOGSE-CQSZACIVSA-N 2 1 264.417 1.996 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000821751102 925594931 /nfs/dbraw/zinc/59/49/31/925594931.db2.gz FVOCEUJMMVOGSE-CQSZACIVSA-N 2 1 264.417 1.996 50 0 CDAAMP Cc1nnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC000825296798 925862608 /nfs/dbraw/zinc/86/26/08/925862608.db2.gz TVQJCWHLMCURBS-UHFFFAOYSA-N 2 1 266.414 1.812 50 0 CDAAMP Cc1nnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)s1 ZINC000825296798 925862619 /nfs/dbraw/zinc/86/26/19/925862619.db2.gz TVQJCWHLMCURBS-UHFFFAOYSA-N 2 1 266.414 1.812 50 0 CDAAMP CC[NH+](CC)[C@@H]1CCN(CCc2[nH+]ccn2C)C1 ZINC001506416639 975155319 /nfs/dbraw/zinc/15/53/19/975155319.db2.gz HTTGNZTXHQOSSQ-CYBMUJFWSA-N 2 1 250.390 1.379 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000096485954 230381549 /nfs/dbraw/zinc/38/15/49/230381549.db2.gz ITJWYANNOVRAHR-AWEZNQCLSA-N 2 1 279.384 1.667 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000096485954 230381550 /nfs/dbraw/zinc/38/15/50/230381550.db2.gz ITJWYANNOVRAHR-AWEZNQCLSA-N 2 1 279.384 1.667 50 0 CDAAMP CCOC(=O)[C@@H]1CC2(CC[NH+](C)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987426 356403326 /nfs/dbraw/zinc/40/33/26/356403326.db2.gz IQJCIKOQCJLDKT-OLZOCXBDSA-N 2 1 266.385 1.498 50 0 CDAAMP Cc1[nH+]ccn1-c1ccccc1C[NH2+][C@@H](C)Cn1cncn1 ZINC000067676507 357617861 /nfs/dbraw/zinc/61/78/61/357617861.db2.gz OHKZLTHVAFFTPC-ZDUSSCGKSA-N 2 1 296.378 1.951 50 0 CDAAMP [NH3+]CC[NH2+]CCOc1cccc(Br)c1 ZINC000020118293 358328354 /nfs/dbraw/zinc/32/83/54/358328354.db2.gz CCHBXIYCNQLGEQ-UHFFFAOYSA-N 2 1 259.147 1.376 50 0 CDAAMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560797 /nfs/dbraw/zinc/56/07/97/358560797.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560801 /nfs/dbraw/zinc/56/08/01/358560801.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560805 /nfs/dbraw/zinc/56/08/05/358560805.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 2 1 293.411 1.963 50 0 CDAAMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)[C@@H](C)C1 ZINC000195548295 358560808 /nfs/dbraw/zinc/56/08/08/358560808.db2.gz KQLCPLWCBAMGBO-WFASDCNBSA-N 2 1 293.411 1.963 50 0 CDAAMP OC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CCO2 ZINC000299759301 200862545 /nfs/dbraw/zinc/86/25/45/200862545.db2.gz QBFZMPQMOFPJJO-HNNXBMFYSA-N 2 1 276.380 1.515 50 0 CDAAMP Cc1ccc[nH+]c1NCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC000426722321 361673998 /nfs/dbraw/zinc/67/39/98/361673998.db2.gz ARCJTQBHNAKERY-UHFFFAOYSA-N 2 1 290.411 1.793 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000299738735 285393329 /nfs/dbraw/zinc/39/33/29/285393329.db2.gz FSKGAAAPBIAASQ-AGIUHOORSA-N 2 1 255.406 1.031 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCCn1ccccc1=O ZINC000670455472 483032258 /nfs/dbraw/zinc/03/22/58/483032258.db2.gz TZDIYDAAZCOEHC-AWEZNQCLSA-N 2 1 288.395 1.676 50 0 CDAAMP CSCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000952984558 617243900 /nfs/dbraw/zinc/24/39/00/617243900.db2.gz XTQFDNUBFYPEEJ-ZDUSSCGKSA-N 2 1 287.473 1.400 50 0 CDAAMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)OCCC[C@@H]2O ZINC000299777954 726205039 /nfs/dbraw/zinc/20/50/39/726205039.db2.gz CVUQGOPCPWLDQU-HNNXBMFYSA-N 2 1 293.411 1.588 50 0 CDAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000824504755 925828602 /nfs/dbraw/zinc/82/86/02/925828602.db2.gz MIPCAXWMQJVAQE-IRXDYDNUSA-N 2 1 297.487 1.804 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC001506420710 975158151 /nfs/dbraw/zinc/15/81/51/975158151.db2.gz BTFBVQKXHSMSDI-AWEZNQCLSA-N 2 1 274.372 1.195 50 0 CDAAMP C[C@@H]1C[N@H+](C2CCN(C[C@H]3CC[NH+](C)C3)CC2)CCO1 ZINC000107532783 398152280 /nfs/dbraw/zinc/15/22/80/398152280.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1C[NH+](C2CCN(C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000107532783 398152283 /nfs/dbraw/zinc/15/22/83/398152283.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1C[NH+](C2CCN(C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000107532783 398152288 /nfs/dbraw/zinc/15/22/88/398152288.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1CN(C2CC[NH+](C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000107532783 398152291 /nfs/dbraw/zinc/15/22/91/398152291.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 1 281.444 1.123 50 0 CDAAMP C[C@@H]1CN(C2CC[NH+](C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000107532783 398152296 /nfs/dbraw/zinc/15/22/96/398152296.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 2 1 281.444 1.123 50 0 CDAAMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CC1)C1CCCC1 ZINC000252500640 361851099 /nfs/dbraw/zinc/85/10/99/361851099.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 2 1 279.428 1.604 50 0 CDAAMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)C1CCCC1 ZINC000252500640 361851101 /nfs/dbraw/zinc/85/11/01/361851101.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 2 1 279.428 1.604 50 0 CDAAMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)C1CCCC1 ZINC000252500640 361851102 /nfs/dbraw/zinc/85/11/02/361851102.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 2 1 279.428 1.604 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000091819431 180263230 /nfs/dbraw/zinc/26/32/30/180263230.db2.gz JPGQFGPCNBGDHS-CYBMUJFWSA-N 2 1 293.415 1.270 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCCC[N@H+]1CCCC[C@@H]1CO ZINC000091819431 180263232 /nfs/dbraw/zinc/26/32/32/180263232.db2.gz JPGQFGPCNBGDHS-CYBMUJFWSA-N 2 1 293.415 1.270 50 0 CDAAMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000299738852 283060594 /nfs/dbraw/zinc/06/05/94/283060594.db2.gz HIFOSNHLGVMIIQ-MELADBBJSA-N 2 1 267.417 1.304 50 0 CDAAMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000245442410 367273550 /nfs/dbraw/zinc/27/35/50/367273550.db2.gz WGQBRMVSMXMOIC-CVEARBPZSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1CCC[NH+]1CCOCC1 ZINC000245442410 367273555 /nfs/dbraw/zinc/27/35/55/367273555.db2.gz WGQBRMVSMXMOIC-CVEARBPZSA-N 2 1 281.444 1.267 50 0 CDAAMP C[N@H+]1CC[C@H]2C[NH+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179418 /nfs/dbraw/zinc/17/94/18/277179418.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 2 1 299.418 1.675 50 0 CDAAMP C[NH+]1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179419 /nfs/dbraw/zinc/17/94/19/277179419.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 2 1 299.418 1.675 50 0 CDAAMP C[NH+]1CC[C@H]2C[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179420 /nfs/dbraw/zinc/17/94/20/277179420.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 2 1 299.418 1.675 50 0 CDAAMP Cc1cccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000097096587 281224621 /nfs/dbraw/zinc/22/46/21/281224621.db2.gz RSMPATXQWGSWGC-AWEZNQCLSA-N 2 1 288.395 1.309 50 0 CDAAMP Cc1cccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)[nH+]1 ZINC000097096587 281224624 /nfs/dbraw/zinc/22/46/24/281224624.db2.gz RSMPATXQWGSWGC-AWEZNQCLSA-N 2 1 288.395 1.309 50 0 CDAAMP O=C(CN1Cc2ccccc2C1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000534659649 328342177 /nfs/dbraw/zinc/34/21/77/328342177.db2.gz DEYUPVXLJWNRIV-AWEZNQCLSA-N 2 1 299.418 1.603 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000050248797 328392731 /nfs/dbraw/zinc/39/27/31/328392731.db2.gz PRWSTNFPEQODDP-ZDUSSCGKSA-N 2 1 295.814 1.279 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2)C1 ZINC000050248797 328392733 /nfs/dbraw/zinc/39/27/33/328392733.db2.gz PRWSTNFPEQODDP-ZDUSSCGKSA-N 2 1 295.814 1.279 50 0 CDAAMP CC(C)C[N@@H+](C1CN(C(=O)C(C)C)C1)C1CCN(C)CC1 ZINC000581799760 927199409 /nfs/dbraw/zinc/19/94/09/927199409.db2.gz WBVCUKPCMOCKSH-UHFFFAOYSA-N 2 1 295.471 1.905 50 0 CDAAMP C[C@H](C[NH+]1CCCCCC1)N1CCC[N@@H+](C)CC1 ZINC001506405625 975151805 /nfs/dbraw/zinc/15/18/05/975151805.db2.gz VSYVRPQTYKBJEK-OAHLLOKOSA-N 2 1 253.434 1.888 50 0 CDAAMP C[N@H+]1C[C@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940991 342158757 /nfs/dbraw/zinc/15/87/57/342158757.db2.gz AQEUXLNUTKKJPI-GFCCVEGCSA-N 2 1 276.384 1.688 50 0 CDAAMP C[C@@H]1CC[C@@H](CO)C[N@H+]1CCC[NH+]1CCCCC1 ZINC000097103394 342192071 /nfs/dbraw/zinc/19/20/71/342192071.db2.gz ZOCTYLFWRJDOBT-HUUCEWRRSA-N 2 1 254.418 1.955 50 0 CDAAMP Cc1ccc(F)cc1CNC[C@@H]1C[N@@H+](C)CCN1C ZINC000129072889 362498413 /nfs/dbraw/zinc/49/84/13/362498413.db2.gz UKVHAJAPDKIUSB-OAHLLOKOSA-N 2 1 265.376 1.470 50 0 CDAAMP Cc1ccc(F)cc1CNC[C@@H]1C[N@H+](C)CCN1C ZINC000129072889 362498418 /nfs/dbraw/zinc/49/84/18/362498418.db2.gz UKVHAJAPDKIUSB-OAHLLOKOSA-N 2 1 265.376 1.470 50 0 CDAAMP Cc1ccc(NCCCNc2cc(C)[nH+]c(N)n2)[nH+]c1 ZINC000091745240 180244254 /nfs/dbraw/zinc/24/42/54/180244254.db2.gz DXRNPJNZFXAIHI-UHFFFAOYSA-N 2 1 272.356 1.985 50 0 CDAAMP OCC[NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001700328 355947971 /nfs/dbraw/zinc/94/79/71/355947971.db2.gz XIVJRGMWNFYEQO-UHFFFAOYSA-N 2 1 265.744 1.882 50 0 CDAAMP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000261557488 140347285 /nfs/dbraw/zinc/34/72/85/140347285.db2.gz RUNNHIZYJXKICE-CYBMUJFWSA-N 2 1 251.399 1.228 50 0 CDAAMP Cc1ncsc1CC[N@@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC000077297934 177250032 /nfs/dbraw/zinc/25/00/32/177250032.db2.gz VWZRMYLOBOVRBD-CYBMUJFWSA-N 2 1 269.414 1.040 50 0 CDAAMP Cc1ncsc1CC[N@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC000077297934 177250034 /nfs/dbraw/zinc/25/00/34/177250034.db2.gz VWZRMYLOBOVRBD-CYBMUJFWSA-N 2 1 269.414 1.040 50 0 CDAAMP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261629228 303073004 /nfs/dbraw/zinc/07/30/04/303073004.db2.gz CLLJPKHCJXBMMA-ZFWWWQNUSA-N 2 1 262.401 1.947 50 0 CDAAMP Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261629228 303073005 /nfs/dbraw/zinc/07/30/05/303073005.db2.gz CLLJPKHCJXBMMA-ZFWWWQNUSA-N 2 1 262.401 1.947 50 0 CDAAMP Cc1[nH+]c(N)nc(NCC[C@H]2CCC[N@@H+](C)C2)c1Cl ZINC000534662465 328350373 /nfs/dbraw/zinc/35/03/73/328350373.db2.gz QSTHTJYRDWASPO-SNVBAGLBSA-N 2 1 283.807 1.417 50 0 CDAAMP Cc1[nH+]c(N)nc(NCC[C@H]2CCC[N@H+](C)C2)c1Cl ZINC000534662465 328350374 /nfs/dbraw/zinc/35/03/74/328350374.db2.gz QSTHTJYRDWASPO-SNVBAGLBSA-N 2 1 283.807 1.417 50 0 CDAAMP CC(C)(CNCC[N@H+]1CCCC[C@@H]1CO)C[NH+]1CCCC1 ZINC000952986400 614110597 /nfs/dbraw/zinc/11/05/97/614110597.db2.gz ZMYHCBSVBXQHDO-MRXNPFEDSA-N 2 1 297.487 1.545 50 0 CDAAMP CC(C)(C[NH2+]CCN1CCCC[C@@H]1CO)C[NH+]1CCCC1 ZINC000952986400 614110599 /nfs/dbraw/zinc/11/05/99/614110599.db2.gz ZMYHCBSVBXQHDO-MRXNPFEDSA-N 2 1 297.487 1.545 50 0 CDAAMP CC(C)C[N@H+]1CC[C@@H](CNCc2ccc(CO)o2)C1 ZINC000952980198 614104060 /nfs/dbraw/zinc/10/40/60/614104060.db2.gz WKYXUNCNRAYTNK-ZDUSSCGKSA-N 2 1 266.385 1.839 50 0 CDAAMP CC(C)[N@@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC000821751203 925595112 /nfs/dbraw/zinc/59/51/12/925595112.db2.gz RWPJAFOKPYZIPG-UHFFFAOYSA-N 2 1 250.390 1.379 50 0 CDAAMP CC(C)[N@H+]1CCCN(CCc2[nH+]ccn2C)CC1 ZINC000821751203 925595118 /nfs/dbraw/zinc/59/51/18/925595118.db2.gz RWPJAFOKPYZIPG-UHFFFAOYSA-N 2 1 250.390 1.379 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC001506396898 975147898 /nfs/dbraw/zinc/14/78/98/975147898.db2.gz ONUSJHJZNLICPZ-AVGNSLFASA-N 2 1 251.374 1.727 50 0 CDAAMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC001506405977 975152191 /nfs/dbraw/zinc/15/21/91/975152191.db2.gz YIXFHJRKPHKVBU-AWEZNQCLSA-N 2 1 264.417 1.982 50 0 CDAAMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC001506405977 975152194 /nfs/dbraw/zinc/15/21/94/975152194.db2.gz YIXFHJRKPHKVBU-AWEZNQCLSA-N 2 1 264.417 1.982 50 0 CDAAMP Cc1cc(NC[C@@H](O)C[NH+]2CCC(C)CC2)nc(C)[nH+]1 ZINC000096456198 230377238 /nfs/dbraw/zinc/37/72/38/230377238.db2.gz BNMOLNJSNXHCKG-CQSZACIVSA-N 2 1 278.400 1.598 50 0 CDAAMP Cc1[nH+]ccn1CCC(=O)N(C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000299773514 372752804 /nfs/dbraw/zinc/75/28/04/372752804.db2.gz DPTBRFAQZWLLLY-AWEZNQCLSA-N 2 1 292.427 1.770 50 0 CDAAMP Cc1[nH+]ccn1CCC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000299773514 372752813 /nfs/dbraw/zinc/75/28/13/372752813.db2.gz DPTBRFAQZWLLLY-AWEZNQCLSA-N 2 1 292.427 1.770 50 0 CDAAMP CSCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739105 375200311 /nfs/dbraw/zinc/20/03/11/375200311.db2.gz KNADUFWHLQENDX-UTUOFQBUSA-N 2 1 273.446 1.008 50 0 CDAAMP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246024281 376356974 /nfs/dbraw/zinc/35/69/74/376356974.db2.gz VIRCTFGXDBXASD-HZSPNIEDSA-N 2 1 299.484 1.541 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000299738736 285393539 /nfs/dbraw/zinc/39/35/39/285393539.db2.gz FSKGAAAPBIAASQ-UPJWGTAASA-N 2 1 255.406 1.031 50 0 CDAAMP CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@@H+](CC)C1)[C@@H]2O ZINC000250221051 391522493 /nfs/dbraw/zinc/52/24/93/391522493.db2.gz WKQPIKSIYRSCAO-QKDCVEJESA-N 2 1 254.418 1.859 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@@H](C(C)C)[NH+](C)C)c1Cl ZINC000534651141 328337336 /nfs/dbraw/zinc/33/73/36/328337336.db2.gz PKSZJFHEFNLYKH-VIFPVBQESA-N 2 1 271.796 1.271 50 0 CDAAMP C[C@](O)(C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000388826458 735202073 /nfs/dbraw/zinc/20/20/73/735202073.db2.gz WSQJXXIDWYWYTM-HNKHHVNMSA-N 2 1 260.381 1.563 50 0 CDAAMP O[C@H]1COCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077408213 735415379 /nfs/dbraw/zinc/41/53/79/735415379.db2.gz KHZSPZGLMRGUIY-CQSZACIVSA-N 2 1 296.436 1.537 50 0 CDAAMP O[C@H]1COCC[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000077408213 735415381 /nfs/dbraw/zinc/41/53/81/735415381.db2.gz KHZSPZGLMRGUIY-CQSZACIVSA-N 2 1 296.436 1.537 50 0 CDAAMP CCC[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039437996 735542563 /nfs/dbraw/zinc/54/25/63/735542563.db2.gz CNQXMKLWGIKOKQ-QGZVFWFLSA-N 2 1 297.487 1.638 50 0 CDAAMP Cc1cc(C)n(C[C@H](C)[N@H+]2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001506396356 975147926 /nfs/dbraw/zinc/14/79/26/975147926.db2.gz RXMRIVYIZWBZRK-HNNXBMFYSA-N 2 1 292.427 1.343 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)N(C)C[C@@]1(C)CC[N@H+](C)C1 ZINC000584903201 341986631 /nfs/dbraw/zinc/98/66/31/341986631.db2.gz FFGBPOOJFWZELL-INIZCTEOSA-N 2 1 292.427 1.636 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)N(C)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000584903201 341986632 /nfs/dbraw/zinc/98/66/32/341986632.db2.gz FFGBPOOJFWZELL-INIZCTEOSA-N 2 1 292.427 1.636 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1noc(C2CC2)n1 ZINC000584902823 341987022 /nfs/dbraw/zinc/98/70/22/341987022.db2.gz BCXYOUZERIVZSI-JTQLQIEISA-N 2 1 275.356 1.673 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccn2-c2ncccn2)C1 ZINC000065410116 363119265 /nfs/dbraw/zinc/11/92/65/363119265.db2.gz YENQUYCKODTOPU-LBPRGKRZSA-N 2 1 257.341 1.048 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000065410116 363119267 /nfs/dbraw/zinc/11/92/67/363119267.db2.gz YENQUYCKODTOPU-LBPRGKRZSA-N 2 1 257.341 1.048 50 0 CDAAMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738948 357701015 /nfs/dbraw/zinc/70/10/15/357701015.db2.gz ISYQZVAYSSWJKE-QWHCGFSZSA-N 2 1 253.390 1.058 50 0 CDAAMP C[NH+](C)CCCNC(=O)[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000095367301 358686932 /nfs/dbraw/zinc/68/69/32/358686932.db2.gz WCUZDENHYIRYNR-CQSZACIVSA-N 2 1 281.375 1.496 50 0 CDAAMP O=C([C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509748 296019162 /nfs/dbraw/zinc/01/91/62/296019162.db2.gz YUUIEZRCQDSMRA-AWEZNQCLSA-N 2 1 297.468 1.026 50 0 CDAAMP O[C@@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCOCC1 ZINC000095428398 374926472 /nfs/dbraw/zinc/92/64/72/374926472.db2.gz ARXMAQJVDZEODT-ZDUSSCGKSA-N 2 1 287.363 1.340 50 0 CDAAMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000097237595 375159060 /nfs/dbraw/zinc/15/90/60/375159060.db2.gz MRGQRPMHIAQTRD-IAGOWNOFSA-N 2 1 290.407 1.522 50 0 CDAAMP CN(C)C[C@@]1(O)CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481051 390629065 /nfs/dbraw/zinc/62/90/65/390629065.db2.gz MXDONCQUSGRAHX-KRWDZBQOSA-N 2 1 291.439 1.076 50 0 CDAAMP CN(C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481051 390629069 /nfs/dbraw/zinc/62/90/69/390629069.db2.gz MXDONCQUSGRAHX-KRWDZBQOSA-N 2 1 291.439 1.076 50 0 CDAAMP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481051 390629087 /nfs/dbraw/zinc/62/90/87/390629087.db2.gz MXDONCQUSGRAHX-KRWDZBQOSA-N 3 1 291.439 1.076 50 0 CDAAMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481051 390629090 /nfs/dbraw/zinc/62/90/90/390629090.db2.gz MXDONCQUSGRAHX-KRWDZBQOSA-N 3 1 291.439 1.076 50 0 CDAAMP c1ncn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000268868755 132080418 /nfs/dbraw/zinc/08/04/18/132080418.db2.gz XFQRATAMSLQCDW-UHFFFAOYSA-N 2 1 299.422 1.575 50 0 CDAAMP Cc1cc(N2CCC[N@@H+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000072161138 176329897 /nfs/dbraw/zinc/32/98/97/176329897.db2.gz ZUPAMLROIQTGSE-HNNXBMFYSA-N 2 1 275.396 1.939 50 0 CDAAMP CC(C)C[NH+]1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000084544262 277386082 /nfs/dbraw/zinc/38/60/82/277386082.db2.gz RSRUBCQPXLZSNE-UHFFFAOYSA-N 2 1 253.434 1.791 50 0 CDAAMP COc1ccccc1N1C(=[NH2+])NC(=[NH2+])NC12CCCCC2 ZINC000000146413 295368280 /nfs/dbraw/zinc/36/82/80/295368280.db2.gz VBDGNAITTIPYBS-UHFFFAOYSA-N 2 1 287.367 1.805 50 0 CDAAMP CC(C)C[N@H+]1CCCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000952986911 614090850 /nfs/dbraw/zinc/09/08/50/614090850.db2.gz BQFCVHRHQIBXNL-FICVDOATSA-N 2 1 251.418 1.116 50 0 CDAAMP CC(C)CN1CCC[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000952986911 614090851 /nfs/dbraw/zinc/09/08/51/614090851.db2.gz BQFCVHRHQIBXNL-FICVDOATSA-N 2 1 251.418 1.116 50 0 CDAAMP CC(C)CN1CCC[N@@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000952986911 614090854 /nfs/dbraw/zinc/09/08/54/614090854.db2.gz BQFCVHRHQIBXNL-FICVDOATSA-N 2 1 251.418 1.116 50 0 CDAAMP OC[C@@]12C[NH2+]C[C@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC001772706944 1159441275 /nfs/dbraw/zinc/44/12/75/1159441275.db2.gz VLRRZJFNQUNBEF-IRXDYDNUSA-N 2 1 290.407 1.107 50 0 CDAAMP C[NH+](C)C1(CNC(=O)[C@]2(C)CC[N@@H+](C)C2)CCCCC1 ZINC000823754933 925724582 /nfs/dbraw/zinc/72/45/82/925724582.db2.gz FNOHJTLPSUEXGZ-OAHLLOKOSA-N 2 1 281.444 1.709 50 0 CDAAMP Cc1nc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)n(C)c1C ZINC000584902775 341987029 /nfs/dbraw/zinc/98/70/29/341987029.db2.gz LYJJYZWXDQWUBH-ZSOGYDGISA-N 2 1 262.401 1.276 50 0 CDAAMP C[C@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000095404174 539088045 /nfs/dbraw/zinc/08/80/45/539088045.db2.gz YQXMSUPDGINDGU-HZPDHXFCSA-N 2 1 293.455 1.948 50 0 CDAAMP C[NH2+]CCN(C)C(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000252478836 362384283 /nfs/dbraw/zinc/38/42/83/362384283.db2.gz AVRZEYLQMAKOGD-NSHDSACASA-N 2 1 252.362 1.245 50 0 CDAAMP Cc1nccn1C[C@H]1CCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000192753373 362698785 /nfs/dbraw/zinc/69/87/85/362698785.db2.gz DIEPXTVZOYWYCS-GDBMZVCRSA-N 2 1 292.427 1.377 50 0 CDAAMP C[NH+](C)C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@@H]1CO ZINC000092098225 180324899 /nfs/dbraw/zinc/32/48/99/180324899.db2.gz LYDLOYHJAWETSC-IAGOWNOFSA-N 2 1 276.424 1.721 50 0 CDAAMP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019410977 356485191 /nfs/dbraw/zinc/48/51/91/356485191.db2.gz KNRYCLCSSAKTCH-MRXNPFEDSA-N 2 1 287.407 1.330 50 0 CDAAMP C[C@@H](c1cnn(C)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000097051513 357934788 /nfs/dbraw/zinc/93/47/88/357934788.db2.gz XACSSFXCYYVWGR-AWEZNQCLSA-N 2 1 279.432 1.050 50 0 CDAAMP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC000426548878 360683175 /nfs/dbraw/zinc/68/31/75/360683175.db2.gz TUASGMKNFMJTFD-ZIAGYGMSSA-N 2 1 274.364 1.889 50 0 CDAAMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC000426548878 360683179 /nfs/dbraw/zinc/68/31/79/360683179.db2.gz TUASGMKNFMJTFD-ZIAGYGMSSA-N 2 1 274.364 1.889 50 0 CDAAMP CN1CCC[N@H+]([C@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701770 360697407 /nfs/dbraw/zinc/69/74/07/360697407.db2.gz XWTTXPXOHIXGRA-ZDUSSCGKSA-N 2 1 269.458 1.252 50 0 CDAAMP O=C(C1CCC1)N1CCC([N@@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000426640365 361329233 /nfs/dbraw/zinc/32/92/33/361329233.db2.gz GOVQYXJMHRANEC-DZGCQCFKSA-N 2 1 277.412 1.071 50 0 CDAAMP O=C(C1CCC1)N1CCC([N@H+]2C[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000426640365 361329238 /nfs/dbraw/zinc/32/92/38/361329238.db2.gz GOVQYXJMHRANEC-DZGCQCFKSA-N 2 1 277.412 1.071 50 0 CDAAMP C[C@H](C1CC1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089894159 366960191 /nfs/dbraw/zinc/96/01/91/366960191.db2.gz YBBNEOTZKKWECS-GFCCVEGCSA-N 2 1 279.428 1.460 50 0 CDAAMP COCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087484 374181363 /nfs/dbraw/zinc/18/13/63/374181363.db2.gz SFVCETGHVGKLBL-UHFFFAOYSA-N 2 1 291.439 1.382 50 0 CDAAMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003846 391483068 /nfs/dbraw/zinc/48/30/68/391483068.db2.gz YFABSRYVUCTVHL-FRRDWIJNSA-N 2 1 253.390 1.199 50 0 CDAAMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000071385571 176147207 /nfs/dbraw/zinc/14/72/07/176147207.db2.gz DUPVDCJKEINGPE-INIZCTEOSA-N 2 1 298.390 1.939 50 0 CDAAMP COCC[N@@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012438745 277223641 /nfs/dbraw/zinc/22/36/41/277223641.db2.gz JKTUIRWOLPOVGX-INIZCTEOSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[N@H+]1CCC[C@]2(CC[NH+](C3CCOCC3)C2)C1 ZINC000012438745 277223643 /nfs/dbraw/zinc/22/36/43/277223643.db2.gz JKTUIRWOLPOVGX-INIZCTEOSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1 ZINC000012438745 277223644 /nfs/dbraw/zinc/22/36/44/277223644.db2.gz JKTUIRWOLPOVGX-INIZCTEOSA-N 2 1 282.428 1.600 50 0 CDAAMP COCC[NH+]1CCC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000012438745 277223645 /nfs/dbraw/zinc/22/36/45/277223645.db2.gz JKTUIRWOLPOVGX-INIZCTEOSA-N 2 1 282.428 1.600 50 0 CDAAMP CCCCc1nc(NCC[NH2+][C@H]2CCCOC2)cc(C)[nH+]1 ZINC000534674658 328349761 /nfs/dbraw/zinc/34/97/61/328349761.db2.gz AQJGGLFKCUGGBQ-AWEZNQCLSA-N 2 1 292.427 1.730 50 0 CDAAMP CCCC[NH+]1CCN(C(=O)[C@@H](CC)[N@H+](C)CC)CC1 ZINC000952969418 614993805 /nfs/dbraw/zinc/99/38/05/614993805.db2.gz NESNQMMAKWNUND-CQSZACIVSA-N 2 1 269.433 1.661 50 0 CDAAMP CCCC[NH+]1CCN(C(=O)[C@@H](CC)[N@@H+](C)CC)CC1 ZINC000952969418 614993809 /nfs/dbraw/zinc/99/38/09/614993809.db2.gz NESNQMMAKWNUND-CQSZACIVSA-N 2 1 269.433 1.661 50 0 CDAAMP CC[C@@H]1CCCC[N@H+]1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718135 925647188 /nfs/dbraw/zinc/64/71/88/925647188.db2.gz OZDCEQMPELCORB-OAHLLOKOSA-N 2 1 281.444 1.709 50 0 CDAAMP C[C@H](C[N@@H+](C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428244 975162183 /nfs/dbraw/zinc/16/21/83/975162183.db2.gz YOUWQRQYCJJPOD-GFCCVEGCSA-N 2 1 271.449 1.198 50 0 CDAAMP C[C@H](CN(C)CCO)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428244 975162189 /nfs/dbraw/zinc/16/21/89/975162189.db2.gz YOUWQRQYCJJPOD-GFCCVEGCSA-N 2 1 271.449 1.198 50 0 CDAAMP CCc1nccn1CCC(=O)N1CCc2nc(C)[nH]c2C1 ZINC000584902792 341986908 /nfs/dbraw/zinc/98/69/08/341986908.db2.gz WVDYVOMEMQQTGI-UHFFFAOYSA-N 2 1 287.367 1.452 50 0 CDAAMP Cc1cccc(N2CCC([NH2+][C@H]3CC[NH2+]C3)CC2)c1 ZINC000426422768 230418056 /nfs/dbraw/zinc/41/80/56/230418056.db2.gz FPQXPLLGUNKIPQ-HNNXBMFYSA-N 2 1 259.397 1.915 50 0 CDAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1C ZINC000124586404 187144762 /nfs/dbraw/zinc/14/47/62/187144762.db2.gz SRVWRUMIYODNNO-GFCCVEGCSA-N 2 1 264.373 1.217 50 0 CDAAMP Cc1ccnn1CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000244795165 361863709 /nfs/dbraw/zinc/86/37/09/361863709.db2.gz RATBPGJHDNHATC-CQSZACIVSA-N 2 1 250.390 1.608 50 0 CDAAMP Nc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)ccn1 ZINC000191503834 362446689 /nfs/dbraw/zinc/44/66/89/362446689.db2.gz FRFFJKRRBRAYIO-AWEZNQCLSA-N 2 1 283.379 1.993 50 0 CDAAMP COCCC[N@H+]1CC[C@H](CNc2cc(C)[nH+]c(N)n2)C1 ZINC000091441418 180156855 /nfs/dbraw/zinc/15/68/55/180156855.db2.gz TUGAMXWRYFILPP-GFCCVEGCSA-N 2 1 279.388 1.138 50 0 CDAAMP CCOC(=O)N1CCC([N@@H+]2CCCC[C@@H]([NH3+])C2)CC1 ZINC000082136933 482763579 /nfs/dbraw/zinc/76/35/79/482763579.db2.gz QEHOKQVYVNWBJP-GFCCVEGCSA-N 2 1 269.389 1.421 50 0 CDAAMP CCOC(=O)N1CCC([N@H+]2CCCC[C@@H]([NH3+])C2)CC1 ZINC000082136933 482763583 /nfs/dbraw/zinc/76/35/83/482763583.db2.gz QEHOKQVYVNWBJP-GFCCVEGCSA-N 2 1 269.389 1.421 50 0 CDAAMP O[C@@H]1CCC[N@@H+](CCC[NH2+]C2CSCCSC2)C1 ZINC000067472677 357610484 /nfs/dbraw/zinc/61/04/84/357610484.db2.gz SHWFGPSZQKCBHU-CYBMUJFWSA-N 2 1 290.498 1.271 50 0 CDAAMP O[C@H]1CCC[N@@H+](CCC[NH2+]C2CSCCSC2)C1 ZINC000067472676 357610599 /nfs/dbraw/zinc/61/05/99/357610599.db2.gz SHWFGPSZQKCBHU-ZDUSSCGKSA-N 2 1 290.498 1.271 50 0 CDAAMP CC[N@H+]1CC[C@@H](N(C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566456 /nfs/dbraw/zinc/56/64/56/358566456.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 2 1 271.405 1.347 50 0 CDAAMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566459 /nfs/dbraw/zinc/56/64/59/358566459.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 2 1 271.405 1.347 50 0 CDAAMP CC[N@H+]1CC[C@@H]([NH+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566974 358566460 /nfs/dbraw/zinc/56/64/60/358566460.db2.gz BKNBIUSEBXQMSH-QWHCGFSZSA-N 2 1 271.405 1.347 50 0 CDAAMP Cc1cc(N2CCCN(c3nc(N)cc[nH+]3)CC2)cc[nH+]1 ZINC000096137569 358709282 /nfs/dbraw/zinc/70/92/82/358709282.db2.gz ZVMDMCNFDTXLSO-UHFFFAOYSA-N 2 1 284.367 1.479 50 0 CDAAMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC000097732739 358795758 /nfs/dbraw/zinc/79/57/58/358795758.db2.gz ZMRCWMWGRPVXBI-MRXNPFEDSA-N 3 1 291.439 1.940 50 0 CDAAMP C[NH+](C)CCOc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC000097732739 358795759 /nfs/dbraw/zinc/79/57/59/358795759.db2.gz ZMRCWMWGRPVXBI-MRXNPFEDSA-N 2 1 291.439 1.940 50 0 CDAAMP CC(C)C(=O)N1CCC([N@H+]2C[C@@H]3CC[C@H]2C[NH2+]C3)CC1 ZINC000426493101 360676183 /nfs/dbraw/zinc/67/61/83/360676183.db2.gz WQLOGTMSKBEGAF-HIFRSBDPSA-N 2 1 279.428 1.317 50 0 CDAAMP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1ccoc1 ZINC000215115803 390987327 /nfs/dbraw/zinc/98/73/27/390987327.db2.gz JIHBXTSUGSNQRE-UHFFFAOYSA-N 2 1 252.358 1.824 50 0 CDAAMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077487793 177274575 /nfs/dbraw/zinc/27/45/75/177274575.db2.gz NXTPLLVAQSMEJI-OAHLLOKOSA-N 2 1 293.411 1.852 50 0 CDAAMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077487793 177274576 /nfs/dbraw/zinc/27/45/76/177274576.db2.gz NXTPLLVAQSMEJI-OAHLLOKOSA-N 2 1 293.411 1.852 50 0 CDAAMP O=C1CCCN1CC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000534667034 328345610 /nfs/dbraw/zinc/34/56/10/328345610.db2.gz ZQFMGIYZWCYXEM-UHFFFAOYSA-N 2 1 279.428 1.465 50 0 CDAAMP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757213058 577036280 /nfs/dbraw/zinc/03/62/80/577036280.db2.gz NNGYGHVINMQSEQ-NZFPMDFQSA-N 2 1 265.323 1.242 50 0 CDAAMP c1c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)nn2c1C[NH2+]CCC2 ZINC000072156679 745363424 /nfs/dbraw/zinc/36/34/24/745363424.db2.gz MJZXMDIEYOKELN-OKILXGFUSA-N 2 1 272.396 1.774 50 0 CDAAMP COCC[N@H+]1CCC[C@@H](C[NH2+]C2CCOCC2)C1 ZINC000824413119 925821011 /nfs/dbraw/zinc/82/10/11/925821011.db2.gz CYFISLWRHBGWDA-ZDUSSCGKSA-N 2 1 256.390 1.113 50 0 CDAAMP CC[C@H]1CN(CCc2[nH+]ccn2C)CC[N@@H+]1C(C)C ZINC001506403741 975150441 /nfs/dbraw/zinc/15/04/41/975150441.db2.gz VLZTZPGOORSXOQ-AWEZNQCLSA-N 2 1 264.417 1.767 50 0 CDAAMP CC[C@H]1CN(CCc2[nH+]ccn2C)CC[N@H+]1C(C)C ZINC001506403741 975150442 /nfs/dbraw/zinc/15/04/42/975150442.db2.gz VLZTZPGOORSXOQ-AWEZNQCLSA-N 2 1 264.417 1.767 50 0 CDAAMP Cc1nncn1CC[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC001506420713 975158364 /nfs/dbraw/zinc/15/83/64/975158364.db2.gz BTFBVQKXHSMSDI-CQSZACIVSA-N 2 1 274.372 1.195 50 0 CDAAMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125724347 187197812 /nfs/dbraw/zinc/19/78/12/187197812.db2.gz SRVWRUMIYODNNO-LBPRGKRZSA-N 2 1 264.373 1.217 50 0 CDAAMP Cn1cc[nH+]c1CCC[N@H+](C)CC(C)(C)N1CCOCC1 ZINC000216148310 358928548 /nfs/dbraw/zinc/92/85/48/358928548.db2.gz ZYDVKDIEVDODOV-UHFFFAOYSA-N 2 1 294.443 1.395 50 0 CDAAMP Cn1cc[nH+]c1CCC[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC000216148310 358928551 /nfs/dbraw/zinc/92/85/51/358928551.db2.gz ZYDVKDIEVDODOV-UHFFFAOYSA-N 2 1 294.443 1.395 50 0 CDAAMP C[NH+]1CCC2(CC[N@@H+](C[C@H]3CCCCO3)C2)CC1 ZINC000639757354 364782087 /nfs/dbraw/zinc/78/20/87/364782087.db2.gz GUXNZELQYHQUIC-CQSZACIVSA-N 2 1 252.402 1.973 50 0 CDAAMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000299738704 375199793 /nfs/dbraw/zinc/19/97/93/375199793.db2.gz FLAVWGBEFKOFTB-FRRDWIJNSA-N 2 1 253.390 1.057 50 0 CDAAMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000299750900 375209021 /nfs/dbraw/zinc/20/90/21/375209021.db2.gz ORQWIPGFNICWQT-BPLDGKMQSA-N 2 1 275.396 1.628 50 0 CDAAMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000095433978 184983470 /nfs/dbraw/zinc/98/34/70/184983470.db2.gz QJSOXSHNSHSUPT-LSDHHAIUSA-N 2 1 279.428 1.520 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CC1(COC)CC1 ZINC000534648392 328343225 /nfs/dbraw/zinc/34/32/25/328343225.db2.gz LLRVMUAEWNTBNK-LBPRGKRZSA-N 2 1 251.374 1.850 50 0 CDAAMP Cc1ncc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)n1C ZINC000668108351 483072965 /nfs/dbraw/zinc/07/29/65/483072965.db2.gz ZEUNJKFPCGRZGG-HNNXBMFYSA-N 2 1 292.427 1.273 50 0 CDAAMP C[C@@H]1C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C[C@H]1[NH3+] ZINC000757210039 577036341 /nfs/dbraw/zinc/03/63/41/577036341.db2.gz HQFSEQAUFRVGQX-ISUQUUIWSA-N 2 1 265.323 1.242 50 0 CDAAMP Cc1[nH+]c(N(C)C)nc(NCC[N@H+]2CCC[C@H](O)C2)c1C ZINC000032593202 749725595 /nfs/dbraw/zinc/72/55/95/749725595.db2.gz LPDWKQNCMXNUQY-ZDUSSCGKSA-N 2 1 293.415 1.028 50 0 CDAAMP Cc1[nH+]ccn1Cc1ccccc1NC(=O)[C@@H]1C=CC[NH2+]1 ZINC000952969097 750882671 /nfs/dbraw/zinc/88/26/71/750882671.db2.gz PQUBDNRLALOWLS-HNNXBMFYSA-N 2 1 282.347 1.706 50 0 CDAAMP Cc1nncn1CC[N@H+](C)C[C@@H]1CC[NH+](C)C1(C)C ZINC000823690235 925722654 /nfs/dbraw/zinc/72/26/54/925722654.db2.gz RRXCHIUDHABVQW-ZDUSSCGKSA-N 2 1 265.405 1.249 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@@H]1CC[N@H+](C)C1(C)C ZINC000823690235 925722660 /nfs/dbraw/zinc/72/26/60/925722660.db2.gz RRXCHIUDHABVQW-ZDUSSCGKSA-N 2 1 265.405 1.249 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1(C)C ZINC000823690235 925722664 /nfs/dbraw/zinc/72/26/64/925722664.db2.gz RRXCHIUDHABVQW-ZDUSSCGKSA-N 2 1 265.405 1.249 50 0 CDAAMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1 ZINC000585117011 930970380 /nfs/dbraw/zinc/97/03/80/930970380.db2.gz OXKWCWHYPNZXAG-DZGCQCFKSA-N 2 1 264.417 1.972 50 0 CDAAMP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cnn(C)c1 ZINC000585117011 930970387 /nfs/dbraw/zinc/97/03/87/930970387.db2.gz OXKWCWHYPNZXAG-DZGCQCFKSA-N 2 1 264.417 1.972 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+]([C@H]1CCN(c3ccccc3)C1)C2 ZINC001506400442 975149214 /nfs/dbraw/zinc/14/92/14/975149214.db2.gz VGXKAHZYEKFHFU-HDEZJCGLSA-N 2 1 271.408 1.934 50 0 CDAAMP Cn1ccnc1CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001506409948 975152900 /nfs/dbraw/zinc/15/29/00/975152900.db2.gz AYJFHQFURBUIPB-UHFFFAOYSA-N 2 1 262.401 1.380 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCOC[C@@H](C[NH+](C)C)C2)c1Cl ZINC001506415357 975155618 /nfs/dbraw/zinc/15/56/18/975155618.db2.gz XOUDWSOMHZNUCY-JTQLQIEISA-N 2 1 299.806 1.035 50 0 CDAAMP C[C@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCCC1 ZINC000195575073 342628778 /nfs/dbraw/zinc/62/87/78/342628778.db2.gz YRCBKPYMUDLJGA-GFCCVEGCSA-N 2 1 263.389 1.686 50 0 CDAAMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000585089118 539103263 /nfs/dbraw/zinc/10/32/63/539103263.db2.gz HNITUVLJZPVICJ-KGLIPLIRSA-N 2 1 267.417 1.304 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000263284576 362566479 /nfs/dbraw/zinc/56/64/79/362566479.db2.gz TZLRTSGBDOAQIH-PMPSAXMXSA-N 2 1 293.455 1.709 50 0 CDAAMP C[C@@H]1CNC(=O)CC[N@H+]1C1CCN(Cc2ccco2)CC1 ZINC000065419878 357540586 /nfs/dbraw/zinc/54/05/86/357540586.db2.gz CQJPTYJANHPWLY-CYBMUJFWSA-N 2 1 291.395 1.454 50 0 CDAAMP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261921812 359584729 /nfs/dbraw/zinc/58/47/29/359584729.db2.gz KOKWEGQYZYNNRI-CQSZACIVSA-N 2 1 292.427 1.335 50 0 CDAAMP COCCN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cn1 ZINC000261921812 359584736 /nfs/dbraw/zinc/58/47/36/359584736.db2.gz KOKWEGQYZYNNRI-CQSZACIVSA-N 2 1 292.427 1.335 50 0 CDAAMP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000013678646 361414364 /nfs/dbraw/zinc/41/43/64/361414364.db2.gz IPYKYEXGLJJSNS-UHFFFAOYSA-N 2 1 287.407 1.670 50 0 CDAAMP C[C@@H](CC1CC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000095421924 374923536 /nfs/dbraw/zinc/92/35/36/374923536.db2.gz CCLGRLOVKWIEQL-AWEZNQCLSA-N 2 1 253.434 1.792 50 0 CDAAMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000269266386 132146692 /nfs/dbraw/zinc/14/66/92/132146692.db2.gz PKOMXYJDQCCKOO-XNRPHZJLSA-N 2 1 287.407 1.298 50 0 CDAAMP Cc1[nH+]c(N)nc(NC[C@H](C(C)C)[NH+](C)C)c1Cl ZINC000534651140 328337464 /nfs/dbraw/zinc/33/74/64/328337464.db2.gz PKSZJFHEFNLYKH-SECBINFHSA-N 2 1 271.796 1.271 50 0 CDAAMP CCc1c[nH+]c(N)nc1N1CCC2(C1)CC[NH+](C)CC2 ZINC001772702535 1159437729 /nfs/dbraw/zinc/43/77/29/1159437729.db2.gz SZEVKTMJKHFTTD-UHFFFAOYSA-N 2 1 275.400 1.543 50 0 CDAAMP COCC[N@H+]1CCCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC001704355520 1161395179 /nfs/dbraw/zinc/39/51/79/1161395179.db2.gz PDDVMJDSSXYMPV-UHFFFAOYSA-N 2 1 297.443 1.043 50 0 CDAAMP CC(C)(CNCC[N@H+]1CCCC[C@H]1CO)C[NH+]1CCCC1 ZINC000952986389 614110672 /nfs/dbraw/zinc/11/06/72/614110672.db2.gz ZMYHCBSVBXQHDO-INIZCTEOSA-N 2 1 297.487 1.545 50 0 CDAAMP CC(C)(C[NH2+]CCN1CCCC[C@H]1CO)C[NH+]1CCCC1 ZINC000952986389 614110674 /nfs/dbraw/zinc/11/06/74/614110674.db2.gz ZMYHCBSVBXQHDO-INIZCTEOSA-N 2 1 297.487 1.545 50 0 CDAAMP C[N@H+]1CCCCC[C@H]1C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000952964888 616178115 /nfs/dbraw/zinc/17/81/15/616178115.db2.gz AMRXQLCNGCZFLA-HNNXBMFYSA-N 2 1 293.455 1.996 50 0 CDAAMP Nc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000952880666 910442398 /nfs/dbraw/zinc/44/23/98/910442398.db2.gz CYLOAIWLEMXECK-UHFFFAOYSA-N 2 1 291.399 1.140 50 0 CDAAMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@@H+]1Cc1ccccc1 ZINC000585116791 930969584 /nfs/dbraw/zinc/96/95/84/930969584.db2.gz IMUABNCEBOZPJN-XIRDDKMYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)CO)CC[N@H+]1Cc1ccccc1 ZINC000585116791 930969592 /nfs/dbraw/zinc/96/95/92/930969592.db2.gz IMUABNCEBOZPJN-XIRDDKMYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116791 930969599 /nfs/dbraw/zinc/96/95/99/930969599.db2.gz IMUABNCEBOZPJN-XIRDDKMYSA-N 2 1 292.423 1.325 50 0 CDAAMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)CO)CC[NH+]1Cc1ccccc1 ZINC000585116791 930969604 /nfs/dbraw/zinc/96/96/04/930969604.db2.gz IMUABNCEBOZPJN-XIRDDKMYSA-N 2 1 292.423 1.325 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH3+])o2)[C@H](C)C1 ZINC000643613036 356920845 /nfs/dbraw/zinc/92/08/45/356920845.db2.gz ZBDFHYKUTWZEFQ-YPMHNXCESA-N 2 1 279.384 1.541 50 0 CDAAMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(NCc3ccccc3)nc2)C1 ZINC000067758088 357624833 /nfs/dbraw/zinc/62/48/33/357624833.db2.gz KHRXQLCMLVVHNH-OAHLLOKOSA-N 2 1 297.406 1.869 50 0 CDAAMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(NCc3ccccc3)nc2)C1 ZINC000067758088 357624838 /nfs/dbraw/zinc/62/48/38/357624838.db2.gz KHRXQLCMLVVHNH-OAHLLOKOSA-N 2 1 297.406 1.869 50 0 CDAAMP CC[N@@H+]1CCc2nnc([C@H]3CC[NH+](CC(C)C)C3)n2CC1 ZINC000257189244 359533657 /nfs/dbraw/zinc/53/36/57/359533657.db2.gz HXXBXHLAHRNZLY-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CCc2nnc([C@H]3CC[N@H+](CC(C)C)C3)n2CC1 ZINC000257189244 359533663 /nfs/dbraw/zinc/53/36/63/359533663.db2.gz HXXBXHLAHRNZLY-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CCc2nnc([C@H]3CC[N@@H+](CC(C)C)C3)n2CC1 ZINC000257189244 359533667 /nfs/dbraw/zinc/53/36/67/359533667.db2.gz HXXBXHLAHRNZLY-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000000001233 361266370 /nfs/dbraw/zinc/26/63/70/361266370.db2.gz QMNFFXRFOJIOKZ-UHFFFAOYSA-N 2 1 251.721 1.526 50 0 world CDAAMP COC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000089800793 366936222 /nfs/dbraw/zinc/93/62/22/366936222.db2.gz UIVJVLFGLSPPQT-MRXNPFEDSA-N 2 1 278.396 1.248 50 0 CDAAMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000186732312 391530747 /nfs/dbraw/zinc/53/07/47/391530747.db2.gz BANOFBWPLRHXGW-UHFFFAOYSA-N 2 1 281.444 1.659 50 0 CDAAMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C[N@H+]1C1CC1 ZINC000269266384 132146908 /nfs/dbraw/zinc/14/69/08/132146908.db2.gz PKOMXYJDQCCKOO-IVMMDQJWSA-N 2 1 287.407 1.298 50 0 CDAAMP CN(CC[N@@H+](C)C1CCCC1)c1nnc(C(C)(C)[NH3+])o1 ZINC001772707447 1159441556 /nfs/dbraw/zinc/44/15/56/1159441556.db2.gz STZZDVMUCDFGOD-UHFFFAOYSA-N 2 1 281.404 1.574 50 0 CDAAMP Cc1cccc(NC[C@H](c2cnn(C)c2)N(C)C)n1 ZINC000097096645 567904010 /nfs/dbraw/zinc/90/40/10/567904010.db2.gz GIKQKFFUSJKIOT-CYBMUJFWSA-N 2 1 259.357 1.838 50 0 CDAAMP Cc1cc(N2CC[NH+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000032517972 631780603 /nfs/dbraw/zinc/78/06/03/631780603.db2.gz BDNKNVVCRYVEDA-UHFFFAOYSA-N 2 1 289.408 1.751 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000825264402 925858848 /nfs/dbraw/zinc/85/88/48/925858848.db2.gz BNFCTSRFFWQELD-NSHDSACASA-N 2 1 275.356 1.216 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000095967234 185047003 /nfs/dbraw/zinc/04/70/03/185047003.db2.gz UQFKKWPTQOXWER-MGPQQGTHSA-N 2 1 250.390 1.592 50 0 CDAAMP CCc1ccccc1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091305176 180131223 /nfs/dbraw/zinc/13/12/23/180131223.db2.gz MECCPLMRWKVNRY-IAGOWNOFSA-N 2 1 276.424 1.851 50 0 CDAAMP CC[N@H+]1CCC[C@@H](C[NH+]2CCC(OCCOC)CC2)C1 ZINC000019114387 356475821 /nfs/dbraw/zinc/47/58/21/356475821.db2.gz WTKPPPMODPIDBS-OAHLLOKOSA-N 2 1 284.444 1.846 50 0 CDAAMP Cc1cccc(C)c1OCCOCC[NH2+]CC[NH3+] ZINC000019772396 356501187 /nfs/dbraw/zinc/50/11/87/356501187.db2.gz LQNWONRPSPKMJA-UHFFFAOYSA-N 2 1 252.358 1.247 50 0 CDAAMP Cc1cccc([C@H](C(=O)N2CCC([NH3+])CC2)[NH+](C)C)c1 ZINC000065404435 357538271 /nfs/dbraw/zinc/53/82/71/357538271.db2.gz JRTRFGFAOQWPJA-OAHLLOKOSA-N 2 1 275.396 1.547 50 0 CDAAMP CCc1[nH+]c(N)nc(NCC[NH+]2CCC(CO)CC2)c1C ZINC000095353648 358683466 /nfs/dbraw/zinc/68/34/66/358683466.db2.gz VQFIWPMLXZGIHC-UHFFFAOYSA-N 2 1 293.415 1.046 50 0 CDAAMP Cc1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000216485014 358947324 /nfs/dbraw/zinc/94/73/24/358947324.db2.gz YZZPVHDPRPTJCS-HNNXBMFYSA-N 2 1 292.427 1.442 50 0 CDAAMP CC(=O)c1cc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)cs1 ZINC000426622872 360691007 /nfs/dbraw/zinc/69/10/07/360691007.db2.gz BLZWTGFFPRUJNV-UHFFFAOYSA-N 2 1 294.420 1.905 50 0 CDAAMP C(=C/c1ccccc1)\C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000097425406 360959656 /nfs/dbraw/zinc/95/96/56/360959656.db2.gz ZQSVRSZNVMQQQU-BBOMDTFKSA-N 2 1 271.408 1.679 50 0 CDAAMP C[N@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](C)CC1 ZINC000003242445 375598626 /nfs/dbraw/zinc/59/86/26/375598626.db2.gz VQPWLQYSSFVPLU-CQSZACIVSA-N 2 1 298.452 1.652 50 0 CDAAMP C[N@@H+](C[C@@H](O)COCc1cccs1)C1CC[NH+](C)CC1 ZINC000003242445 375598633 /nfs/dbraw/zinc/59/86/33/375598633.db2.gz VQPWLQYSSFVPLU-CQSZACIVSA-N 2 1 298.452 1.652 50 0 CDAAMP Cc1ncsc1CC[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC000077297932 177250167 /nfs/dbraw/zinc/25/01/67/177250167.db2.gz VWZRMYLOBOVRBD-ZDUSSCGKSA-N 2 1 269.414 1.040 50 0 CDAAMP Cc1ncsc1CC[N@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC000077297932 177250170 /nfs/dbraw/zinc/25/01/70/177250170.db2.gz VWZRMYLOBOVRBD-ZDUSSCGKSA-N 2 1 269.414 1.040 50 0 CDAAMP O[C@@H]1C[N@@H+](C2CCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000014950424 774880387 /nfs/dbraw/zinc/88/03/87/774880387.db2.gz BODYLRAOMHXMSY-HUUCEWRRSA-N 2 1 252.402 1.850 50 0 CDAAMP O[C@@H]1C[N@H+](C2CCC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000014950424 774880388 /nfs/dbraw/zinc/88/03/88/774880388.db2.gz BODYLRAOMHXMSY-HUUCEWRRSA-N 2 1 252.402 1.850 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000020255292 776964019 /nfs/dbraw/zinc/96/40/19/776964019.db2.gz KITJBJWMFSVESH-CQSZACIVSA-N 2 1 290.411 1.793 50 0 CDAAMP O=C(c1ccccn1)[C@H]1CCC[N@@H+](CCc2ncc[nH]2)C1 ZINC001529192000 969010641 /nfs/dbraw/zinc/01/06/41/969010641.db2.gz MTPZBCIMBNFWAJ-ZDUSSCGKSA-N 2 1 284.363 1.942 50 0 CDAAMP CC[NH+](CC)[C@H]1CCN(CCc2[nH+]ccn2C)C1 ZINC001506416641 975155710 /nfs/dbraw/zinc/15/57/10/975155710.db2.gz HTTGNZTXHQOSSQ-ZDUSSCGKSA-N 2 1 250.390 1.379 50 0 CDAAMP Cc1cnc(C[NH+]2CCC(O)(C[NH+]3CCCC3)CC2)cn1 ZINC001506420803 975158023 /nfs/dbraw/zinc/15/80/23/975158023.db2.gz KMCHJCGHEMLGNX-UHFFFAOYSA-N 2 1 290.411 1.208 50 0 CDAAMP CC(C)[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000095996131 539088270 /nfs/dbraw/zinc/08/82/70/539088270.db2.gz SJLWCXCJDQATFR-AWEZNQCLSA-N 2 1 253.390 1.057 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000253537314 362436884 /nfs/dbraw/zinc/43/68/84/362436884.db2.gz LXVFUDHAUXOMKH-JTQLQIEISA-N 2 1 275.327 1.860 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000253537314 362436887 /nfs/dbraw/zinc/43/68/87/362436887.db2.gz LXVFUDHAUXOMKH-JTQLQIEISA-N 2 1 275.327 1.860 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC000584900555 349362151 /nfs/dbraw/zinc/36/21/51/349362151.db2.gz CPYRSHYVCOGQJG-CMPLNLGQSA-N 2 1 272.776 1.677 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C[C@H]1O ZINC000584900555 349362154 /nfs/dbraw/zinc/36/21/54/349362154.db2.gz CPYRSHYVCOGQJG-CMPLNLGQSA-N 2 1 272.776 1.677 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@](O)(C2CC2)C1 ZINC000091563038 180192869 /nfs/dbraw/zinc/19/28/69/180192869.db2.gz ATIQJOLCUBEZNA-DOMZBBRYSA-N 2 1 263.385 1.674 50 0 CDAAMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@](O)(C2CC2)C1 ZINC000091563038 180192871 /nfs/dbraw/zinc/19/28/71/180192871.db2.gz ATIQJOLCUBEZNA-DOMZBBRYSA-N 2 1 263.385 1.674 50 0 CDAAMP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000011958494 356285842 /nfs/dbraw/zinc/28/58/42/356285842.db2.gz FTNMATHIBXHACZ-HNNXBMFYSA-N 2 1 275.396 1.314 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095359308 358684844 /nfs/dbraw/zinc/68/48/44/358684844.db2.gz QZJXSBNOSDWUAF-CQSZACIVSA-N 2 1 292.427 1.826 50 0 CDAAMP CCc1[nH+]ccn1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095359308 358684847 /nfs/dbraw/zinc/68/48/47/358684847.db2.gz QZJXSBNOSDWUAF-CQSZACIVSA-N 2 1 292.427 1.826 50 0 CDAAMP Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)ncn1 ZINC000426372114 360659503 /nfs/dbraw/zinc/65/95/03/360659503.db2.gz POVFHYTVHIMIFO-INIZCTEOSA-N 2 1 287.411 1.761 50 0 CDAAMP Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)nc[nH+]1 ZINC000426372114 360659506 /nfs/dbraw/zinc/65/95/06/360659506.db2.gz POVFHYTVHIMIFO-INIZCTEOSA-N 2 1 287.411 1.761 50 0 CDAAMP Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)nc[nH+]1 ZINC000426372114 360659513 /nfs/dbraw/zinc/65/95/13/360659513.db2.gz POVFHYTVHIMIFO-INIZCTEOSA-N 2 1 287.411 1.761 50 0 CDAAMP CC[NH+](CC)CCNC(=O)N(C)CCn1cc[nH+]c1C ZINC000426496691 360676556 /nfs/dbraw/zinc/67/65/56/360676556.db2.gz NHOYIHANENKMRH-UHFFFAOYSA-N 2 1 281.404 1.175 50 0 CDAAMP CN1CCC[N@@H+](CC2(C)CCOCC2)CC12CC[NH2+]CC2 ZINC000426693659 360696588 /nfs/dbraw/zinc/69/65/88/360696588.db2.gz FGCFCNSXHQARGH-UHFFFAOYSA-N 2 1 295.471 1.563 50 0 CDAAMP CC[NH+]1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000089977280 366993775 /nfs/dbraw/zinc/99/37/75/366993775.db2.gz LGALXWZQMBIJPU-ZDUSSCGKSA-N 2 1 284.448 1.310 50 0 CDAAMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)C1 ZINC000037644197 369504643 /nfs/dbraw/zinc/50/46/43/369504643.db2.gz SMDDEGILIDQYQJ-CYBMUJFWSA-N 2 1 285.391 1.960 50 0 CDAAMP C[C@@H](C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])CC1)N1CCOCC1 ZINC000244887823 377798892 /nfs/dbraw/zinc/79/88/92/377798892.db2.gz YPDCGROXAXZILZ-SOUVJXGZSA-N 2 1 269.433 1.156 50 0 CDAAMP C1C[C@H]2C[NH2+]CC[C@@H]1[N@H+]2C1CSCCSC1 ZINC000065493500 390551235 /nfs/dbraw/zinc/55/12/35/390551235.db2.gz WBQMVARBQOJTJS-MNOVXSKESA-N 2 1 258.456 1.661 50 0 CDAAMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccncc1 ZINC000097048508 390659937 /nfs/dbraw/zinc/65/99/37/390659937.db2.gz BYOOOXGLEQGLLD-UHFFFAOYSA-N 2 1 262.401 1.151 50 0 CDAAMP CN1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000037786308 392619736 /nfs/dbraw/zinc/61/97/36/392619736.db2.gz NPOCGLZOKUPYTA-UHFFFAOYSA-N 2 1 253.434 1.933 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C2CC2)C1 ZINC000299745197 287273603 /nfs/dbraw/zinc/27/36/03/287273603.db2.gz WMBXMTMCVVIIKV-HUUCEWRRSA-N 2 1 293.455 1.851 50 0 CDAAMP CCC(=O)N1CCC([NH2+][C@H](C)Cn2cc[nH+]c2CC)CC1 ZINC000534578272 328311027 /nfs/dbraw/zinc/31/10/27/328311027.db2.gz ZZIUKRFUFHFKGK-CYBMUJFWSA-N 2 1 292.427 1.825 50 0 CDAAMP C[C@H](CS(C)(=O)=O)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000821740678 925589514 /nfs/dbraw/zinc/58/95/14/925589514.db2.gz YCTHRDWWLZQORB-CYBMUJFWSA-N 2 1 288.457 1.227 50 0 CDAAMP CCc1nccn1CC(=O)N(CC)C[C@H]1CC[N@@H+](C)C1 ZINC000240517205 361748210 /nfs/dbraw/zinc/74/82/10/361748210.db2.gz NWOHSVVCTDQYIH-ZDUSSCGKSA-N 2 1 278.400 1.246 50 0 CDAAMP CCc1[nH+]ccn1CC(=O)N(CC)C[C@H]1CC[N@H+](C)C1 ZINC000240517205 361748215 /nfs/dbraw/zinc/74/82/15/361748215.db2.gz NWOHSVVCTDQYIH-ZDUSSCGKSA-N 2 1 278.400 1.246 50 0 CDAAMP C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000095404173 539088010 /nfs/dbraw/zinc/08/80/10/539088010.db2.gz YQXMSUPDGINDGU-JKSUJKDBSA-N 2 1 293.455 1.948 50 0 CDAAMP CC(C)[N@H+]1CCO[C@H](CC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000584894935 349355049 /nfs/dbraw/zinc/35/50/49/349355049.db2.gz BSCUKTYGNPOYNP-OAHLLOKOSA-N 2 1 297.443 1.040 50 0 CDAAMP Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+](C)C)C2)c1 ZINC000092064774 180316264 /nfs/dbraw/zinc/31/62/64/180316264.db2.gz OKCBWPKXMHDXPT-HZPDHXFCSA-N 2 1 262.397 1.597 50 0 CDAAMP O=C(NCCc1cnc[nH]1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000215305793 358883104 /nfs/dbraw/zinc/88/31/04/358883104.db2.gz OSXNOLGTCPJOIE-OAHLLOKOSA-N 2 1 298.390 1.849 50 0 CDAAMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000037825971 359234114 /nfs/dbraw/zinc/23/41/14/359234114.db2.gz GZCHVOOUEOHLEA-GFCCVEGCSA-N 2 1 255.406 1.304 50 0 CDAAMP OC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000299801724 372773402 /nfs/dbraw/zinc/77/34/02/372773402.db2.gz YMTFPDFZSOIGFC-AWEZNQCLSA-N 2 1 276.380 1.373 50 0 CDAAMP Cc1[nH+]ccn1CCn1ccnc1C1CC[NH+](C)CC1 ZINC000071415713 176160405 /nfs/dbraw/zinc/16/04/05/176160405.db2.gz KAQZFUGGXAAYPF-UHFFFAOYSA-N 2 1 273.384 1.897 50 0 CDAAMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)O1 ZINC000299786804 288215019 /nfs/dbraw/zinc/21/50/19/288215019.db2.gz NTUGLOLAZPTIRR-BETUJISGSA-N 2 1 276.380 1.778 50 0 CDAAMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)O1 ZINC000299786804 288215020 /nfs/dbraw/zinc/21/50/20/288215020.db2.gz NTUGLOLAZPTIRR-BETUJISGSA-N 2 1 276.380 1.778 50 0 CDAAMP Cc1nnc(C[N@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)s1 ZINC000534650507 328336839 /nfs/dbraw/zinc/33/68/39/328336839.db2.gz PLKJWZGANNGMCU-UHFFFAOYSA-N 2 1 295.456 1.106 50 0 CDAAMP Cc1nnc(C[N@@H+]2CCCN(C)C3(CC[NH2+]CC3)C2)s1 ZINC000534650507 328336840 /nfs/dbraw/zinc/33/68/40/328336840.db2.gz PLKJWZGANNGMCU-UHFFFAOYSA-N 2 1 295.456 1.106 50 0 CDAAMP C[N@H+]1CCCCC[C@@H]1C(=O)NC1(C[NH+]2CCCCC2)CC1 ZINC000952964890 616178169 /nfs/dbraw/zinc/17/81/69/616178169.db2.gz AMRXQLCNGCZFLA-OAHLLOKOSA-N 2 1 293.455 1.996 50 0 CDAAMP CC(C)C[NH+]1CCC(CNc2nnc(C[NH3+])o2)CC1 ZINC001772705010 1159440008 /nfs/dbraw/zinc/44/00/08/1159440008.db2.gz JVCNTPHLQDMNOT-UHFFFAOYSA-N 2 1 267.377 1.308 50 0 CDAAMP OC[C@]12C[NH2+]C[C@@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC001772706942 1159441317 /nfs/dbraw/zinc/44/13/17/1159441317.db2.gz VLRRZJFNQUNBEF-IAGOWNOFSA-N 2 1 290.407 1.107 50 0 CDAAMP C1C[C@H]2[C@H]3C[NH2+]C[C@H]3[C@@H]1[N@@H+]2C1CSCCSC1 ZINC000426381836 902494045 /nfs/dbraw/zinc/49/40/45/902494045.db2.gz XYXNRUMCRKKVAE-MPZDIEGVSA-N 2 1 270.467 1.517 50 0 CDAAMP CC1(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000426722439 902996214 /nfs/dbraw/zinc/99/62/14/902996214.db2.gz MYVIQARGXNCWTN-HNNXBMFYSA-N 2 1 252.402 1.879 50 0 CDAAMP CC[N@H+]1CCC[C@H]1CN1CCN(C)C2(CC[NH+](C)CC2)C1 ZINC001506409356 975153466 /nfs/dbraw/zinc/15/34/66/975153466.db2.gz ZFMNAFJXOPSECS-INIZCTEOSA-N 2 1 294.487 1.183 50 0 CDAAMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC000095985131 185055703 /nfs/dbraw/zinc/05/57/03/185055703.db2.gz MXUPRHXCXXCALZ-HNNXBMFYSA-N 2 1 263.385 1.579 50 0 CDAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000089937304 539087591 /nfs/dbraw/zinc/08/75/91/539087591.db2.gz NDYSVAOORRUXHO-LVQVYYBASA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000089937304 539087592 /nfs/dbraw/zinc/08/75/92/539087592.db2.gz NDYSVAOORRUXHO-LVQVYYBASA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000089937304 539087593 /nfs/dbraw/zinc/08/75/93/539087593.db2.gz NDYSVAOORRUXHO-LVQVYYBASA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[N@@H+]1CCC[C@H](CN(C)c2nc(N)cc[nH+]2)C1 ZINC000096141248 185106658 /nfs/dbraw/zinc/10/66/58/185106658.db2.gz LUUFDGUMBHYSLK-GFCCVEGCSA-N 2 1 263.389 1.615 50 0 CDAAMP CC(C)[N@H+]1CCC[C@H](CN(C)c2nc(N)cc[nH+]2)C1 ZINC000096141248 185106659 /nfs/dbraw/zinc/10/66/59/185106659.db2.gz LUUFDGUMBHYSLK-GFCCVEGCSA-N 2 1 263.389 1.615 50 0 CDAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@@H+]1C ZINC000585139878 342218613 /nfs/dbraw/zinc/21/86/13/342218613.db2.gz GXSHNWUNOQWPRM-JQWIXIFHSA-N 2 1 274.368 1.841 50 0 CDAAMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC[N@H+]1C ZINC000585139878 342218614 /nfs/dbraw/zinc/21/86/14/342218614.db2.gz GXSHNWUNOQWPRM-JQWIXIFHSA-N 2 1 274.368 1.841 50 0 CDAAMP COCCC[N@H+]1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000065529410 357548326 /nfs/dbraw/zinc/54/83/26/357548326.db2.gz UPWTZWOOIOSNAI-CYBMUJFWSA-N 2 1 272.458 1.830 50 0 CDAAMP CC(C)NC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000095364971 374889527 /nfs/dbraw/zinc/88/95/27/374889527.db2.gz KAKLYNZAKDELRB-UHFFFAOYSA-N 2 1 292.427 1.589 50 0 CDAAMP Cc1ncn(CC[NH2+][C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000670460748 483046084 /nfs/dbraw/zinc/04/60/84/483046084.db2.gz BHWCNHSSJYTGBZ-NSHDSACASA-N 2 1 261.373 1.683 50 0 CDAAMP Cc1ncc2c(c1-c1noc([C@@H]3CCC[N@H+]3C)n1)CC[NH2+]C2 ZINC000020868452 375011861 /nfs/dbraw/zinc/01/18/61/375011861.db2.gz AVXJNUVYLYHELF-ZDUSSCGKSA-N 2 1 299.378 1.852 50 0 CDAAMP Cc1ncc2c(c1-c1noc([C@@H]3CCC[N@@H+]3C)n1)CC[NH2+]C2 ZINC000020868452 375011865 /nfs/dbraw/zinc/01/18/65/375011865.db2.gz AVXJNUVYLYHELF-ZDUSSCGKSA-N 2 1 299.378 1.852 50 0 CDAAMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000299740098 375200289 /nfs/dbraw/zinc/20/02/89/375200289.db2.gz VQNUWUXIESAUJJ-XQLPTFJDSA-N 2 1 297.443 1.214 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000263284573 287274526 /nfs/dbraw/zinc/27/45/26/287274526.db2.gz TZLRTSGBDOAQIH-OAGGEKHMSA-N 2 1 293.455 1.709 50 0 CDAAMP Cc1[nH+]ccn1CCC1CC[NH+](C[C@]2(O)CC[NH2+]C2)CC1 ZINC000072410642 176398358 /nfs/dbraw/zinc/39/83/58/176398358.db2.gz IUFLSLKMBWXXJI-INIZCTEOSA-N 3 1 292.427 1.018 50 0 CDAAMP C[C@H]1CCC[N@@H+](CCC(=O)N(C)CC[NH+](C)C)C1 ZINC000020857486 786290538 /nfs/dbraw/zinc/29/05/38/786290538.db2.gz FDTRYRXEKBPODT-ZDUSSCGKSA-N 2 1 255.406 1.128 50 0 CDAAMP COCCOCC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000824450657 925823420 /nfs/dbraw/zinc/82/34/20/925823420.db2.gz LMDQUNNMVFNIGD-UHFFFAOYSA-N 2 1 270.417 1.505 50 0 CDAAMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000097021990 185153638 /nfs/dbraw/zinc/15/36/38/185153638.db2.gz IINJXOIZFRSOGL-WCQYABFASA-N 2 1 262.353 1.627 50 0 CDAAMP CCC[C@H]1CN(C(=O)CCn2cc[nH+]c2C)C[C@@H]1[NH3+] ZINC000091441587 180156798 /nfs/dbraw/zinc/15/67/98/180156798.db2.gz GKLJUJUBKKVSRW-STQMWFEESA-N 2 1 264.373 1.167 50 0 CDAAMP CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000016124110 356430802 /nfs/dbraw/zinc/43/08/02/356430802.db2.gz DUNDIGFYPOUEEK-ZDUSSCGKSA-N 2 1 297.443 1.975 50 0 CDAAMP COCC[N@H+]1CC[C@H](CN(C)Cc2cc(C)no2)C1 ZINC000216377885 358941903 /nfs/dbraw/zinc/94/19/03/358941903.db2.gz ZEVGWOZNENZGJA-CYBMUJFWSA-N 2 1 267.373 1.383 50 0 CDAAMP CCn1ccnc1CN1CC[N@H+](C(C)C)C[C@H]1C ZINC000248011337 360308535 /nfs/dbraw/zinc/30/85/35/360308535.db2.gz RKVFECADAPWVEZ-CYBMUJFWSA-N 2 1 250.390 1.818 50 0 CDAAMP COC[C@@H]1C[N@H+](CCCc2cnccc2C)CCO1 ZINC000377544272 371573145 /nfs/dbraw/zinc/57/31/45/371573145.db2.gz UIYOOSJMPPMMAD-HNNXBMFYSA-N 2 1 264.369 1.670 50 0 CDAAMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000055415135 375166680 /nfs/dbraw/zinc/16/66/80/375166680.db2.gz GBLUMOVOXVKQPT-INIZCTEOSA-N 2 1 287.407 1.249 50 0 CDAAMP Cc1c[nH+]c(N)nc1N(C)CC[N@H+](C)C1CCCC1 ZINC000091645488 390891165 /nfs/dbraw/zinc/89/11/65/390891165.db2.gz SVCKCZQDGIUNSR-UHFFFAOYSA-N 2 1 263.389 1.678 50 0 CDAAMP Cc1c[nH+]c(N)nc1N(C)CC[N@@H+](C)C1CCCC1 ZINC000091645488 390891166 /nfs/dbraw/zinc/89/11/66/390891166.db2.gz SVCKCZQDGIUNSR-UHFFFAOYSA-N 2 1 263.389 1.678 50 0 CDAAMP c1cc(C[NH2+]C2CCCC2)n(CC[NH+]2CCOCC2)c1 ZINC000004680818 169997935 /nfs/dbraw/zinc/99/79/35/169997935.db2.gz PJYOQDQKEBTVEG-UHFFFAOYSA-N 2 1 277.412 1.853 50 0 CDAAMP C[N@@H+](CCNC(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000071372517 176138396 /nfs/dbraw/zinc/13/83/96/176138396.db2.gz BUZUNLFPRMWKDM-UHFFFAOYSA-N 2 1 275.396 1.234 50 0 CDAAMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)[NH2+]1 ZINC000246668697 280297723 /nfs/dbraw/zinc/29/77/23/280297723.db2.gz FFVDZFSBPSKDOB-NFAWXSAZSA-N 2 1 275.396 1.498 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C[NH+]2CCCCC2)c1C ZINC000670448880 483004597 /nfs/dbraw/zinc/00/45/97/483004597.db2.gz HKRGTIYHMKITII-UHFFFAOYSA-N 2 1 264.373 1.102 50 0 CDAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1cnc(OC)nc1 ZINC000952973355 615777388 /nfs/dbraw/zinc/77/73/88/615777388.db2.gz NJBWQHDVGFEAFE-UHFFFAOYSA-N 2 1 275.356 1.424 50 0 CDAAMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccccc2Cn2cccn2)C1 ZINC000067725969 789906033 /nfs/dbraw/zinc/90/60/33/789906033.db2.gz QQDLRMGIVLAACV-AWEZNQCLSA-N 2 1 270.380 1.712 50 0 CDAAMP COCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnccc2Cl)C1 ZINC000952869599 910421644 /nfs/dbraw/zinc/42/16/44/910421644.db2.gz WJAMQSAAWQICAX-LBPRGKRZSA-N 2 1 283.803 1.793 50 0 CDAAMP COCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnccc2Cl)C1 ZINC000952869599 910421651 /nfs/dbraw/zinc/42/16/51/910421651.db2.gz WJAMQSAAWQICAX-LBPRGKRZSA-N 2 1 283.803 1.793 50 0 CDAAMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC001506405979 975151735 /nfs/dbraw/zinc/15/17/35/975151735.db2.gz YIXFHJRKPHKVBU-CQSZACIVSA-N 2 1 264.417 1.982 50 0 CDAAMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1(Cn2cccn2)CC1 ZINC001506405979 975151738 /nfs/dbraw/zinc/15/17/38/975151738.db2.gz YIXFHJRKPHKVBU-CQSZACIVSA-N 2 1 264.417 1.982 50 0 CDAAMP CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C)c2)CC1 ZINC000274365586 365637539 /nfs/dbraw/zinc/63/75/39/365637539.db2.gz OTBZTORMQYBTDZ-UHFFFAOYSA-N 2 1 290.411 1.793 50 0 CDAAMP CC(C)C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000585089117 539103248 /nfs/dbraw/zinc/10/32/48/539103248.db2.gz HNITUVLJZPVICJ-KBPBESRZSA-N 2 1 267.417 1.304 50 0 CDAAMP Cc1ncc(C[N@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)[nH]1 ZINC000067855452 357632085 /nfs/dbraw/zinc/63/20/85/357632085.db2.gz UEAMPBXEDJDFMV-GFCCVEGCSA-N 2 1 278.400 1.702 50 0 CDAAMP Cc1nc(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)c[nH]1 ZINC000067855452 357632091 /nfs/dbraw/zinc/63/20/91/357632091.db2.gz UEAMPBXEDJDFMV-GFCCVEGCSA-N 2 1 278.400 1.702 50 0 CDAAMP CN(C)C[C@]1(O)CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481050 357839035 /nfs/dbraw/zinc/83/90/35/357839035.db2.gz MXDONCQUSGRAHX-QGZVFWFLSA-N 2 1 291.439 1.076 50 0 CDAAMP CN(C)C[C@]1(O)CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481050 357839036 /nfs/dbraw/zinc/83/90/36/357839036.db2.gz MXDONCQUSGRAHX-QGZVFWFLSA-N 3 1 291.439 1.076 50 0 CDAAMP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481050 357839038 /nfs/dbraw/zinc/83/90/38/357839038.db2.gz MXDONCQUSGRAHX-QGZVFWFLSA-N 3 1 291.439 1.076 50 0 CDAAMP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(CC[NH3+])cc2)C1 ZINC000072481050 357839040 /nfs/dbraw/zinc/83/90/40/357839040.db2.gz MXDONCQUSGRAHX-QGZVFWFLSA-N 3 1 291.439 1.076 50 0 CDAAMP [NH3+][C@@H]1CC[N@@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC000082107026 358147048 /nfs/dbraw/zinc/14/70/48/358147048.db2.gz GVUGHIPGFNURCH-HZPDHXFCSA-N 2 1 278.396 1.377 50 0 CDAAMP Cc1[nH+]ccn1[C@H](C)C(=O)NCCC12CCC[NH+]1CCC2 ZINC000222921159 359383732 /nfs/dbraw/zinc/38/37/32/359383732.db2.gz UNSATGCQLGHBSW-CYBMUJFWSA-N 2 1 290.411 1.887 50 0 CDAAMP Cc1[nH+]cn(CCNC(=O)C2(C)CC[NH+](C)CC2)c1C ZINC000426526844 360679704 /nfs/dbraw/zinc/67/97/04/360679704.db2.gz HXOKSQNOQRBMKE-UHFFFAOYSA-N 2 1 278.400 1.348 50 0 CDAAMP CC(C)[N@H+]1CCC[C@H](C(=O)NCCc2ncc[nH]2)C1 ZINC000426478141 360674472 /nfs/dbraw/zinc/67/44/72/360674472.db2.gz QYUQTLFBQBPDAO-LBPRGKRZSA-N 2 1 264.373 1.189 50 0 CDAAMP C[N@@H+](CC(N)=O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000095351044 374888418 /nfs/dbraw/zinc/88/84/18/374888418.db2.gz TXFWJBFBKDYQBV-UHFFFAOYSA-N 2 1 289.423 1.706 50 0 CDAAMP CC[N@H+]1CCC[C@@H](CN2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000020586451 374977751 /nfs/dbraw/zinc/97/77/51/374977751.db2.gz XXLRJADSHBDTDM-HZPDHXFCSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000020586451 374977756 /nfs/dbraw/zinc/97/77/56/374977756.db2.gz XXLRJADSHBDTDM-HZPDHXFCSA-N 2 1 265.445 1.888 50 0 CDAAMP CC[NH+]1CCC[C@@H](CN2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000020586451 374977762 /nfs/dbraw/zinc/97/77/62/374977762.db2.gz XXLRJADSHBDTDM-HZPDHXFCSA-N 2 1 265.445 1.888 50 0 CDAAMP CCOC(=O)[C@H]1CC2(CC[NH+](C)CC2)[N@H+]2CCC[C@H]12 ZINC000004342651 390152600 /nfs/dbraw/zinc/15/26/00/390152600.db2.gz IQJCIKOQCJLDKT-QWHCGFSZSA-N 2 1 266.385 1.498 50 0 CDAAMP c1cnn(CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000065452084 391070757 /nfs/dbraw/zinc/07/07/57/391070757.db2.gz XCRZYQAVEJTBGV-AWEZNQCLSA-N 2 1 271.368 1.712 50 0 CDAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000095410390 391719991 /nfs/dbraw/zinc/71/99/91/391719991.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000095410390 391719994 /nfs/dbraw/zinc/71/99/94/391719994.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000095410390 391719996 /nfs/dbraw/zinc/71/99/96/391719996.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 2 1 265.445 1.932 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCn1cccn1 ZINC000095967232 393156472 /nfs/dbraw/zinc/15/64/72/393156472.db2.gz UQFKKWPTQOXWER-MCIONIFRSA-N 2 1 250.390 1.592 50 0 CDAAMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037408371 173184555 /nfs/dbraw/zinc/18/45/55/173184555.db2.gz GIZRRICXDPWZOI-CYBMUJFWSA-N 2 1 262.401 1.611 50 0 CDAAMP CC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000122370084 281303407 /nfs/dbraw/zinc/30/34/07/281303407.db2.gz OFXRXVXZBXEYJF-UMVBOHGHSA-N 2 1 265.401 1.262 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCC(=O)N1CCCC1 ZINC001506412756 975153903 /nfs/dbraw/zinc/15/39/03/975153903.db2.gz OCWVQANVFLOWJN-ZDUSSCGKSA-N 2 1 278.400 1.436 50 0 CDAAMP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1Nc1cc(N)[nH+]c(SC)n1 ZINC001506431237 975161698 /nfs/dbraw/zinc/16/16/98/975161698.db2.gz GTOYHXDGGLERDA-UWVGGRQHSA-N 2 1 297.428 1.300 50 0 CDAAMP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1Nc1cc(N)[nH+]c(SC)n1 ZINC001506431237 975161699 /nfs/dbraw/zinc/16/16/99/975161699.db2.gz GTOYHXDGGLERDA-UWVGGRQHSA-N 2 1 297.428 1.300 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)N(C)C[C@]1(C)CC[N@H+](C)C1 ZINC000584903202 341986610 /nfs/dbraw/zinc/98/66/10/341986610.db2.gz FFGBPOOJFWZELL-MRXNPFEDSA-N 2 1 292.427 1.636 50 0 CDAAMP CCc1[nH+]ccn1CCC(=O)N(C)C[C@]1(C)CC[N@@H+](C)C1 ZINC000584903202 341986611 /nfs/dbraw/zinc/98/66/11/341986611.db2.gz FFGBPOOJFWZELL-MRXNPFEDSA-N 2 1 292.427 1.636 50 0 CDAAMP CCc1c[nH+]c(N)nc1NCCCC[NH+]1CCCC1 ZINC000095376179 358689398 /nfs/dbraw/zinc/68/93/98/358689398.db2.gz LRLZCUCGOOPSGD-UHFFFAOYSA-N 2 1 263.389 1.909 50 0 CDAAMP Cc1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)on1 ZINC000216484972 358947343 /nfs/dbraw/zinc/94/73/43/358947343.db2.gz YZZPVHDPRPTJCS-OAHLLOKOSA-N 2 1 292.427 1.442 50 0 CDAAMP CC[N@H+]1CC[C@@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187206 359529264 /nfs/dbraw/zinc/52/92/64/359529264.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CC[C@@H](c2nnc3n2CC[N@@H+](CC(C)C)CC3)C1 ZINC000257187206 359529269 /nfs/dbraw/zinc/52/92/69/359529269.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CC[C@@H](c2nnc3n2CC[N@H+](CC(C)C)CC3)C1 ZINC000257187206 359529271 /nfs/dbraw/zinc/52/92/71/359529271.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 2 1 291.443 1.601 50 0 CDAAMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396853 374902581 /nfs/dbraw/zinc/90/25/81/374902581.db2.gz FDKWJESCJJZBQU-KBPBESRZSA-N 2 1 298.452 1.509 50 0 CDAAMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000299738703 375200158 /nfs/dbraw/zinc/20/01/58/375200158.db2.gz FLAVWGBEFKOFTB-AGIUHOORSA-N 2 1 253.390 1.057 50 0 CDAAMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333296 376017153 /nfs/dbraw/zinc/01/71/53/376017153.db2.gz FCULVMSQGYSJCJ-QLFBSQMISA-N 2 1 295.427 1.728 50 0 CDAAMP CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473084 483082559 /nfs/dbraw/zinc/08/25/59/483082559.db2.gz BYAJQXHWYSQAIN-HNNXBMFYSA-N 2 1 281.444 1.853 50 0 CDAAMP CC(C)[NH2+]C[C@H](O)C[NH2+][C@H](C)[C@H]1COc2ccccc2O1 ZINC000245380594 378074730 /nfs/dbraw/zinc/07/47/30/378074730.db2.gz AANQMDAPDINSQM-DVOMOZLQSA-N 2 1 294.395 1.163 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261940556 285393887 /nfs/dbraw/zinc/39/38/87/285393887.db2.gz NDOWNQCNCHVZFE-KFWWJZLASA-N 2 1 293.455 1.565 50 0 CDAAMP CN1CCC[N@@H+](C)CC12CC[NH+](Cc1ccncc1)CC2 ZINC000216080099 391004892 /nfs/dbraw/zinc/00/48/92/391004892.db2.gz BCJKBGLODGDKSL-UHFFFAOYSA-N 2 1 288.439 1.684 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000534670179 328346925 /nfs/dbraw/zinc/34/69/25/328346925.db2.gz OXDBDOFROQXZPQ-RSUWNVLCSA-N 2 1 274.364 1.496 50 0 CDAAMP [NH3+][C@H]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1COc3ccccc3O1)C2 ZINC000534670179 328346926 /nfs/dbraw/zinc/34/69/26/328346926.db2.gz OXDBDOFROQXZPQ-RSUWNVLCSA-N 2 1 274.364 1.496 50 0 CDAAMP CC[NH2+]C[C@@H](O)COCCC[N@H+]1CCC[C@H](C)C1 ZINC000043061623 482563923 /nfs/dbraw/zinc/56/39/23/482563923.db2.gz HPIOXBOTTXBOLI-UONOGXRCSA-N 2 1 258.406 1.095 50 0 CDAAMP OC[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCOCc1ccccc1)C2 ZINC001772706932 1159441261 /nfs/dbraw/zinc/44/12/61/1159441261.db2.gz VLRRZJFNQUNBEF-DLBZAZTESA-N 2 1 290.407 1.107 50 0 CDAAMP C[C@H](Cn1ccnc1)[N@H+]1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486108 812803313 /nfs/dbraw/zinc/80/33/13/812803313.db2.gz JHDYFXPWLZWMEL-OAHLLOKOSA-N 2 1 291.443 1.031 50 0 CDAAMP CCCc1cc(NC[C@@]2(O)CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000072133355 814159136 /nfs/dbraw/zinc/15/91/36/814159136.db2.gz LOTGIDXRCKBOOO-OAHLLOKOSA-N 2 1 278.400 1.654 50 0 CDAAMP C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000823783440 925732802 /nfs/dbraw/zinc/73/28/02/925732802.db2.gz UMXQSLWMIUGZIO-AWEZNQCLSA-N 2 1 297.468 1.120 50 0 CDAAMP CCC[C@H]([NH3+])C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000253369939 342416131 /nfs/dbraw/zinc/41/61/31/342416131.db2.gz KGWHZXJYGUFUSF-OCCSQVGLSA-N 2 1 267.417 1.589 50 0 CDAAMP CC1CCN(C(=O)CC[N@@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)CC1 ZINC000091665334 180220930 /nfs/dbraw/zinc/22/09/30/180220930.db2.gz YLNRYWIXIACDRB-CABCVRRESA-N 2 1 279.428 1.304 50 0 CDAAMP CC1CCN(C(=O)CC[N@H+]2C[C@H]([NH3+])[C@@H](C3CC3)C2)CC1 ZINC000091665334 180220933 /nfs/dbraw/zinc/22/09/33/180220933.db2.gz YLNRYWIXIACDRB-CABCVRRESA-N 2 1 279.428 1.304 50 0 CDAAMP CCNC(=O)C[NH+]1CCC(Cn2cc[nH+]c2C)CC1 ZINC000090472803 358477079 /nfs/dbraw/zinc/47/70/79/358477079.db2.gz CQIXHVVFLDZXKQ-UHFFFAOYSA-N 2 1 264.373 1.040 50 0 CDAAMP COc1ccc(O)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000067818095 357629069 /nfs/dbraw/zinc/62/90/69/357629069.db2.gz SNBIFVGGAPEQTA-UHFFFAOYSA-N 2 1 276.380 1.976 50 0 CDAAMP CC(C)[C@@H]1C=CC[N@@H+]1Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215306180 358883646 /nfs/dbraw/zinc/88/36/46/358883646.db2.gz HZXJBHKVVUVUJI-HNNXBMFYSA-N 2 1 260.385 1.773 50 0 CDAAMP CC(C)[C@@H]1C=CC[N@H+]1Cc1cc2n(n1)CCC[NH2+]C2 ZINC000215306180 358883649 /nfs/dbraw/zinc/88/36/49/358883649.db2.gz HZXJBHKVVUVUJI-HNNXBMFYSA-N 2 1 260.385 1.773 50 0 CDAAMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC000248112965 360368291 /nfs/dbraw/zinc/36/82/91/360368291.db2.gz HTPMOOZFFMXGEA-JKSUJKDBSA-N 2 1 293.455 1.948 50 0 CDAAMP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739027 375200420 /nfs/dbraw/zinc/20/04/20/375200420.db2.gz JPWSMXSUBOAJBG-CHWSQXEVSA-N 2 1 253.390 1.201 50 0 CDAAMP C[N@@H+](C[C@H]1CC[C@@H]([NH3+])CC1)CC1(CO)CCCC1 ZINC000240128336 256868603 /nfs/dbraw/zinc/86/86/03/256868603.db2.gz IPZSFGKTCHTZJB-OKILXGFUSA-N 2 1 254.418 1.988 50 0 CDAAMP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]c2ccccc12 ZINC000225344492 277102206 /nfs/dbraw/zinc/10/22/06/277102206.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 2 1 270.380 1.893 50 0 CDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000534670111 328347084 /nfs/dbraw/zinc/34/70/84/328347084.db2.gz ARJKCDNTKKUXRM-CYBMUJFWSA-N 2 1 278.400 1.342 50 0 CDAAMP CC[NH2+]C[C@H](O)COCCC[N@H+]1CCC[C@H](C)C1 ZINC000043061619 482563680 /nfs/dbraw/zinc/56/36/80/482563680.db2.gz HPIOXBOTTXBOLI-KBPBESRZSA-N 2 1 258.406 1.095 50 0 CDAAMP COc1c(F)cccc1CNCCC[N@H+]1CCC[C@H](O)C1 ZINC000952970977 617147057 /nfs/dbraw/zinc/14/70/57/617147057.db2.gz WQTXWKPSXZXBEO-AWEZNQCLSA-N 2 1 296.386 1.771 50 0 CDAAMP COc1c(F)cccc1C[NH2+]CCC[N@@H+]1CCC[C@H](O)C1 ZINC000952970977 617147059 /nfs/dbraw/zinc/14/70/59/617147059.db2.gz WQTXWKPSXZXBEO-AWEZNQCLSA-N 2 1 296.386 1.771 50 0 CDAAMP COc1c(F)cccc1C[NH2+]CCC[N@H+]1CCC[C@H](O)C1 ZINC000952970977 617147060 /nfs/dbraw/zinc/14/70/60/617147060.db2.gz WQTXWKPSXZXBEO-AWEZNQCLSA-N 2 1 296.386 1.771 50 0 CDAAMP O[C@H]1CCC[N@@H+](CCCNCc2ccc(Cl)o2)C1 ZINC000952992107 819881273 /nfs/dbraw/zinc/88/12/73/819881273.db2.gz WZDKZDZCBZIOIT-NSHDSACASA-N 2 1 272.776 1.869 50 0 CDAAMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1nncn1C ZINC000952862208 910417600 /nfs/dbraw/zinc/41/76/00/910417600.db2.gz NHEIHQLDDLUHSQ-NSHDSACASA-N 2 1 259.357 1.167 50 0 CDAAMP CN(C)CC[N@@H+](C)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000828837218 926194741 /nfs/dbraw/zinc/19/47/41/926194741.db2.gz IAMGACAHMGWJFA-UHFFFAOYSA-N 2 1 292.427 1.036 50 0 CDAAMP CC[N@H+]1CCC[C@H]1CN1CCC([NH+]2CCSCC2)CC1 ZINC001506419769 975157460 /nfs/dbraw/zinc/15/74/60/975157460.db2.gz JLGGUIDJMSKRSX-INIZCTEOSA-N 2 1 297.512 1.984 50 0 CDAAMP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021392 185153899 /nfs/dbraw/zinc/15/38/99/185153899.db2.gz FCULVMSQGYSJCJ-RBSFLKMASA-N 2 1 295.427 1.728 50 0 CDAAMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCC3CCCCC3)C[C@@H]2C1 ZINC000585136939 342216189 /nfs/dbraw/zinc/21/61/89/342216189.db2.gz ZGCAAUUXRIMKNH-CVEARBPZSA-N 2 1 293.455 1.566 50 0 CDAAMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCC3CCCCC3)C[C@@H]2C1 ZINC000585136939 342216190 /nfs/dbraw/zinc/21/61/90/342216190.db2.gz ZGCAAUUXRIMKNH-CVEARBPZSA-N 2 1 293.455 1.566 50 0 CDAAMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCC3CCCCC3)C[C@@H]2C1 ZINC000585136939 342216191 /nfs/dbraw/zinc/21/61/91/342216191.db2.gz ZGCAAUUXRIMKNH-CVEARBPZSA-N 2 1 293.455 1.566 50 0 CDAAMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCC3CCCCC3)C[C@@H]2C1 ZINC000585136939 342216192 /nfs/dbraw/zinc/21/61/92/342216192.db2.gz ZGCAAUUXRIMKNH-CVEARBPZSA-N 2 1 293.455 1.566 50 0 CDAAMP O[C@@]1(C[NH+]2CCC(F)CC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063883230 357519326 /nfs/dbraw/zinc/51/93/26/357519326.db2.gz DVFRBCNXUASXEE-HUUCEWRRSA-N 2 1 270.392 1.800 50 0 CDAAMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000055415133 375166912 /nfs/dbraw/zinc/16/69/12/375166912.db2.gz GBLUMOVOXVKQPT-MRXNPFEDSA-N 2 1 287.407 1.249 50 0 CDAAMP OC1C2(c3ccccc3)C[NH2+]CC1(c1ccccc1)C[NH2+]C2 ZINC000057173102 375402857 /nfs/dbraw/zinc/40/28/57/375402857.db2.gz AMBSFNUCUNMURE-UHFFFAOYSA-N 2 1 294.398 1.430 50 0 CDAAMP [NH3+][C@H]1CC[C@@H](C[N@H+]2CCC[C@H](CN3CCCC3=O)C2)CC1 ZINC000244601771 256867699 /nfs/dbraw/zinc/86/76/99/256867699.db2.gz DRMCUGZGVWXYSD-HRCADAONSA-N 2 1 293.455 1.838 50 0 CDAAMP CN1CCC[N@H+]([C@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623361 391860112 /nfs/dbraw/zinc/86/01/12/391860112.db2.gz UEDHBESQMSRRBU-AWEZNQCLSA-N 2 1 283.485 1.642 50 0 CDAAMP O[C@H]1C[C@@H]2C[N@H+](C3CC[NH+](C4CCCC4)CC3)C[C@H]12 ZINC001772703829 1159439135 /nfs/dbraw/zinc/43/91/35/1159439135.db2.gz JPGGNGJUJJWCGE-KCXAZCMYSA-N 2 1 264.413 1.706 50 0 CDAAMP [NH3+]Cc1nnc(NC[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001772708184 1159442606 /nfs/dbraw/zinc/44/26/06/1159442606.db2.gz FACGUEIEIYNNIL-NSHDSACASA-N 2 1 279.388 1.595 50 0 CDAAMP [NH3+]Cc1nnc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001772708184 1159442608 /nfs/dbraw/zinc/44/26/08/1159442608.db2.gz FACGUEIEIYNNIL-NSHDSACASA-N 2 1 279.388 1.595 50 0 CDAAMP Cc1[nH+]ccn1C[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670426613 482953334 /nfs/dbraw/zinc/95/33/34/482953334.db2.gz IGDMEWXWKIGXBD-NSHDSACASA-N 2 1 270.340 1.413 50 0 CDAAMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000414058011 536523325 /nfs/dbraw/zinc/52/33/25/536523325.db2.gz GOCRLGKKPPKBML-LBPRGKRZSA-N 2 1 263.385 1.705 50 0 CDAAMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000952978266 616243356 /nfs/dbraw/zinc/24/33/56/616243356.db2.gz KVQXZAMDSFLPFI-HNNXBMFYSA-N 2 1 277.412 1.739 50 0 CDAAMP CC[C@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+]1C(C)C ZINC000244796029 825943179 /nfs/dbraw/zinc/94/31/79/825943179.db2.gz RRSHDOSXWAJZGY-HNNXBMFYSA-N 2 1 264.417 1.996 50 0 CDAAMP CC[C@H]1CN(CCn2cc[nH+]c2C)CC[N@H+]1C(C)C ZINC000244796029 825943181 /nfs/dbraw/zinc/94/31/81/825943181.db2.gz RRSHDOSXWAJZGY-HNNXBMFYSA-N 2 1 264.417 1.996 50 0 CDAAMP CC[NH+]1CCN(C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000823112746 925673830 /nfs/dbraw/zinc/67/38/30/925673830.db2.gz ARBKBBDIOODHAJ-UHFFFAOYSA-N 2 1 288.439 1.996 50 0 CDAAMP COC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000584886886 349345350 /nfs/dbraw/zinc/34/53/50/349345350.db2.gz AHVFVRAFNKQYLB-AWEZNQCLSA-N 2 1 297.443 1.134 50 0 CDAAMP COC(C)(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000584886886 349345354 /nfs/dbraw/zinc/34/53/54/349345354.db2.gz AHVFVRAFNKQYLB-AWEZNQCLSA-N 2 1 297.443 1.134 50 0 CDAAMP C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299739230 356268545 /nfs/dbraw/zinc/26/85/45/356268545.db2.gz MCROZEKQFHBRJV-IJEWVQPXSA-N 2 1 289.423 1.703 50 0 CDAAMP CCc1[nH+]ccn1CCC[NH2+][C@@H]1CCCN(CC)C1 ZINC000065461407 357543754 /nfs/dbraw/zinc/54/37/54/357543754.db2.gz TTXJGRNDBFSAAU-CQSZACIVSA-N 2 1 264.417 1.910 50 0 CDAAMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000175037627 364618334 /nfs/dbraw/zinc/61/83/34/364618334.db2.gz WGQBRMVSMXMOIC-HZPDHXFCSA-N 2 1 281.444 1.267 50 0 CDAAMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCC[NH+]1CCOCC1 ZINC000175037627 364618342 /nfs/dbraw/zinc/61/83/42/364618342.db2.gz WGQBRMVSMXMOIC-HZPDHXFCSA-N 2 1 281.444 1.267 50 0 CDAAMP Cc1nc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c[nH]1 ZINC000039443038 377536166 /nfs/dbraw/zinc/53/61/66/377536166.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 1 292.427 1.529 50 0 CDAAMP Cc1ncc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)[nH]1 ZINC000039443038 377536181 /nfs/dbraw/zinc/53/61/81/377536181.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 1 292.427 1.529 50 0 CDAAMP Cc1ncc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)[nH]1 ZINC000039443038 377536187 /nfs/dbraw/zinc/53/61/87/377536187.db2.gz CERCYYHDDYYORS-MRXNPFEDSA-N 2 1 292.427 1.529 50 0 CDAAMP Cc1[nH+]c(N(C)C)nc(N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000065458138 390552222 /nfs/dbraw/zinc/55/22/22/390552222.db2.gz YENCGHQMGQEYTK-GFCCVEGCSA-N 2 1 263.389 1.300 50 0 CDAAMP CC(C)C[N@@H+]1CCCC[C@@H]1CCNc1nnc(C[NH3+])o1 ZINC001772710005 1159444211 /nfs/dbraw/zinc/44/42/11/1159444211.db2.gz UCTYVCNECHWMMF-GFCCVEGCSA-N 2 1 281.404 1.841 50 0 CDAAMP CC(C)C[N@H+]1CCCC[C@@H]1CCNc1nnc(C[NH3+])o1 ZINC001772710005 1159444214 /nfs/dbraw/zinc/44/42/14/1159444214.db2.gz UCTYVCNECHWMMF-GFCCVEGCSA-N 2 1 281.404 1.841 50 0 CDAAMP C[NH+](C)[C@@H]1C[C@@H]2C[C@H]([N@@H+](C)Cc3cnc(N)nc3)C[C@@H]2C1 ZINC001704352781 1177699375 /nfs/dbraw/zinc/69/93/75/1177699375.db2.gz FQIYZBQEQRFOJC-NMWPEEMBSA-N 2 1 289.427 1.609 50 0 CDAAMP Cc1nncn1CC[N@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690234 925721804 /nfs/dbraw/zinc/72/18/04/925721804.db2.gz RRXCHIUDHABVQW-CYBMUJFWSA-N 2 1 265.405 1.249 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823690234 925721812 /nfs/dbraw/zinc/72/18/12/925721812.db2.gz RRXCHIUDHABVQW-CYBMUJFWSA-N 2 1 265.405 1.249 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000823690234 925721820 /nfs/dbraw/zinc/72/18/20/925721820.db2.gz RRXCHIUDHABVQW-CYBMUJFWSA-N 2 1 265.405 1.249 50 0 CDAAMP CC(C)(C[NH+]1CCCC1)C[N@H+]1CCC[C@H](O)CC1 ZINC000828628881 926150822 /nfs/dbraw/zinc/15/08/22/926150822.db2.gz WFRZVBVAQZYQRE-AWEZNQCLSA-N 2 1 254.418 1.955 50 0 CDAAMP CCC[C@H]1NC(=[NH2+])NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000096026641 351475536 /nfs/dbraw/zinc/47/55/36/351475536.db2.gz JZSCQRCFXATNGX-JTQLQIEISA-N 2 1 265.748 1.916 50 0 CDAAMP Cn1nccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036901236 363289051 /nfs/dbraw/zinc/28/90/51/363289051.db2.gz QDOUGZKGAREHFL-UHFFFAOYSA-N 2 1 250.390 1.819 50 0 CDAAMP C[C@@H]1C[N@@H+](CCOc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000037049818 363331136 /nfs/dbraw/zinc/33/11/36/363331136.db2.gz QLIRRHFEZCKROH-OKILXGFUSA-N 2 1 278.396 1.676 50 0 CDAAMP C[C@@H]1C[N@H+](CCOc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000037049818 363331141 /nfs/dbraw/zinc/33/11/41/363331141.db2.gz QLIRRHFEZCKROH-OKILXGFUSA-N 2 1 278.396 1.676 50 0 CDAAMP CCc1[nH+]c(N)nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1C ZINC000095379979 358689612 /nfs/dbraw/zinc/68/96/12/358689612.db2.gz UZNSJSFETMGECW-CMPLNLGQSA-N 2 1 261.373 1.070 50 0 CDAAMP CCc1[nH+]c(N)nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1C ZINC000095379979 358689613 /nfs/dbraw/zinc/68/96/13/358689613.db2.gz UZNSJSFETMGECW-CMPLNLGQSA-N 2 1 261.373 1.070 50 0 CDAAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)o3)C[C@H]21 ZINC000102017425 358868273 /nfs/dbraw/zinc/86/82/73/358868273.db2.gz WBTSDKJHKKHWOW-ZSOGYDGISA-N 2 1 250.342 1.011 50 0 CDAAMP C[C@H](CC1CC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000095421925 374923063 /nfs/dbraw/zinc/92/30/63/374923063.db2.gz CCLGRLOVKWIEQL-CQSZACIVSA-N 2 1 253.434 1.792 50 0 CDAAMP COCC[N@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000242302102 376020611 /nfs/dbraw/zinc/02/06/11/376020611.db2.gz YPNWMTLDJLDHDB-LXTVHRRPSA-N 2 1 282.428 1.358 50 0 CDAAMP C[N@H+](CCc1cn[nH]c1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000067790577 377237652 /nfs/dbraw/zinc/23/76/52/377237652.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 2 1 292.427 1.263 50 0 CDAAMP C[N@@H+](CCc1cn[nH]c1)C[C@]1(O)CCC[NH+]2CCCC[C@@H]21 ZINC000067790577 377237658 /nfs/dbraw/zinc/23/76/58/377237658.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 2 1 292.427 1.263 50 0 CDAAMP C[NH+](CCc1cn[nH]c1)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000067790577 377237665 /nfs/dbraw/zinc/23/76/65/377237665.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 2 1 292.427 1.263 50 0 CDAAMP C[NH+](CCc1cn[nH]c1)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000067790577 377237670 /nfs/dbraw/zinc/23/76/70/377237670.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 2 1 292.427 1.263 50 0 CDAAMP C[NH+](CCO)CCCCCCCCCC[N@@H+](C)CCO ZINC000071771348 176262577 /nfs/dbraw/zinc/26/25/77/176262577.db2.gz OFVHQSQWLXIINL-UHFFFAOYSA-N 2 1 288.476 1.955 50 0 CDAAMP Cc1[nH+]ccn1C[C@@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000825264401 925859322 /nfs/dbraw/zinc/85/93/22/925859322.db2.gz BNFCTSRFFWQELD-LLVKDONJSA-N 2 1 275.356 1.216 50 0 CDAAMP C[NH+]1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000127023326 342007217 /nfs/dbraw/zinc/00/72/17/342007217.db2.gz YKEYDFGRTQEEMT-UHFFFAOYSA-N 2 1 289.379 1.827 50 0 CDAAMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC3)CC2)C1 ZINC000078950023 342206151 /nfs/dbraw/zinc/20/61/51/342206151.db2.gz XSNTXNRKTXIXHL-HNNXBMFYSA-N 2 1 251.418 1.498 50 0 CDAAMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N ZINC000128118840 187352992 /nfs/dbraw/zinc/35/29/92/187352992.db2.gz REFZYKRGGMUCCK-NSHDSACASA-N 2 1 262.357 1.220 50 0 CDAAMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N ZINC000128118840 187352993 /nfs/dbraw/zinc/35/29/93/187352993.db2.gz REFZYKRGGMUCCK-NSHDSACASA-N 2 1 262.357 1.220 50 0 CDAAMP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000191353045 362421604 /nfs/dbraw/zinc/42/16/04/362421604.db2.gz CJZQUHVFHBWUHT-CVEARBPZSA-N 2 1 287.407 1.601 50 0 CDAAMP O=C(C[NH2+]CCC[NH+]1CCCC1)NCc1ccccc1F ZINC000065417534 363211082 /nfs/dbraw/zinc/21/10/82/363211082.db2.gz QZCUTPBCFFYLEZ-UHFFFAOYSA-N 2 1 293.386 1.517 50 0 CDAAMP S=C1N(C[NH+]2CCCCC2)CCN1C[NH+]1CCCCC1 ZINC000000027631 355879448 /nfs/dbraw/zinc/87/94/48/355879448.db2.gz CCMPHOBVVMUPII-UHFFFAOYSA-N 2 1 296.484 1.776 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000263233620 287273844 /nfs/dbraw/zinc/27/38/44/287273844.db2.gz CWUPRYNTXJDKPD-CHWSQXEVSA-N 2 1 253.390 1.058 50 0 CDAAMP c1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c1)OCO2 ZINC000037409510 173185900 /nfs/dbraw/zinc/18/59/00/173185900.db2.gz XAACTYPCVBJSLF-GFCCVEGCSA-N 2 1 274.364 1.989 50 0 CDAAMP c1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c1)OCO2 ZINC000037409510 173185901 /nfs/dbraw/zinc/18/59/01/173185901.db2.gz XAACTYPCVBJSLF-GFCCVEGCSA-N 2 1 274.364 1.989 50 0 CDAAMP OC[C@H]1CCC[N@@H+](CCCNc2ncnc3[nH]ccc32)C1 ZINC000670461567 483045173 /nfs/dbraw/zinc/04/51/73/483045173.db2.gz MUNKBOWPMYYTNF-LBPRGKRZSA-N 2 1 289.383 1.416 50 0 CDAAMP OC[C@H]1CCC[N@H+](CCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670461567 483045181 /nfs/dbraw/zinc/04/51/81/483045181.db2.gz MUNKBOWPMYYTNF-LBPRGKRZSA-N 2 1 289.383 1.416 50 0 CDAAMP OC[C@H]1CCC[N@@H+](CCCNc2[nH+]cnc3[nH]ccc32)C1 ZINC000670461567 483045188 /nfs/dbraw/zinc/04/51/88/483045188.db2.gz MUNKBOWPMYYTNF-LBPRGKRZSA-N 2 1 289.383 1.416 50 0 CDAAMP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](O)C2)c(C)c1 ZINC000952962110 617257420 /nfs/dbraw/zinc/25/74/20/617257420.db2.gz AWQFQOPJCHOAMM-INIZCTEOSA-N 2 1 292.423 1.940 50 0 CDAAMP CC(C)[NH+]1CC[C@@H](C[N@H+](C)CCn2cccn2)C1 ZINC000299766553 845870586 /nfs/dbraw/zinc/87/05/86/845870586.db2.gz PAGGXAJGAPIEGD-AWEZNQCLSA-N 2 1 250.390 1.545 50 0 CDAAMP CC(C)[NH+]1CC[C@@H](C[N@@H+](C)CCn2cccn2)C1 ZINC000299766553 845870588 /nfs/dbraw/zinc/87/05/88/845870588.db2.gz PAGGXAJGAPIEGD-AWEZNQCLSA-N 2 1 250.390 1.545 50 0 CDAAMP OC[C@H]1CCC[N@@H+](CCCNCc2cnccc2Cl)C1 ZINC000952868540 910416328 /nfs/dbraw/zinc/41/63/28/910416328.db2.gz BQBJBSDVUAFBNU-ZDUSSCGKSA-N 2 1 297.830 1.919 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CC[C@@H](C[NH+](C)C)C2)c1Cl ZINC001506406783 975152021 /nfs/dbraw/zinc/15/20/21/975152021.db2.gz RQQLXLHNWUAELH-VIFPVBQESA-N 2 1 269.780 1.409 50 0 CDAAMP Cc1cccnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000096497129 230384011 /nfs/dbraw/zinc/38/40/11/230384011.db2.gz RUCVRLSOXIWINU-UHFFFAOYSA-N 2 1 276.428 1.459 50 0 CDAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCn1cccn1 ZINC000095967235 185046263 /nfs/dbraw/zinc/04/62/63/185046263.db2.gz UQFKKWPTQOXWER-HZSPNIEDSA-N 2 1 250.390 1.592 50 0 CDAAMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[NH3+] ZINC000299739975 356275373 /nfs/dbraw/zinc/27/53/73/356275373.db2.gz UIGOCNAEAOLZRH-DZGCQCFKSA-N 2 1 275.396 1.314 50 0 CDAAMP COCc1ncc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000067833865 357630328 /nfs/dbraw/zinc/63/03/28/357630328.db2.gz GTMXWJLJFUZHOA-MRXNPFEDSA-N 2 1 290.411 1.541 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566976 358566668 /nfs/dbraw/zinc/56/66/68/358566668.db2.gz BKNBIUSEBXQMSH-STQMWFEESA-N 2 1 271.405 1.347 50 0 CDAAMP CC[N@@H+]1CC[C@H]([NH+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566976 358566671 /nfs/dbraw/zinc/56/66/71/358566671.db2.gz BKNBIUSEBXQMSH-STQMWFEESA-N 2 1 271.405 1.347 50 0 CDAAMP CC[N@H+]1CC[C@H]([NH+](C)CCOC(=O)N(C)C)[C@@H](C)C1 ZINC000195566976 358566673 /nfs/dbraw/zinc/56/66/73/358566673.db2.gz BKNBIUSEBXQMSH-STQMWFEESA-N 2 1 271.405 1.347 50 0 CDAAMP CN(Cc1ncc[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426504676 360935481 /nfs/dbraw/zinc/93/54/81/360935481.db2.gz YEGGCJJVZDLXMN-LLVKDONJSA-N 2 1 265.361 1.035 50 0 CDAAMP CC[N@H+]1CC[C@H]2OCCN(c3ncnc4[nH]ccc43)[C@H]2C1 ZINC000292758645 370380624 /nfs/dbraw/zinc/38/06/24/370380624.db2.gz KCBLTMGJMFQBPS-QWHCGFSZSA-N 2 1 287.367 1.257 50 0 CDAAMP C[C@H]([NH2+]CCC[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000058552779 375786837 /nfs/dbraw/zinc/78/68/37/375786837.db2.gz PHXVKWMIDYPWTF-ZDUSSCGKSA-N 2 1 267.417 1.509 50 0 CDAAMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2([NH3+])CCC2)[C@H](C)C1 ZINC000299740091 285383634 /nfs/dbraw/zinc/38/36/34/285383634.db2.gz VOWIYFGWYKGMOK-OLZOCXBDSA-N 2 1 267.417 1.447 50 0 CDAAMP CCC[NH+]1CCC([NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000003683634 276258104 /nfs/dbraw/zinc/25/81/04/276258104.db2.gz SIAGKKVXHNAWGE-CYBMUJFWSA-N 2 1 253.390 1.119 50 0 CDAAMP OC[C@]12C[NH2+]C[C@@H]1C[N@H+](C1CC3(C1)CCCCC3)C2 ZINC001772711465 1159445766 /nfs/dbraw/zinc/44/57/66/1159445766.db2.gz YZVUTMBLYXAVPR-CZUORRHYSA-N 2 1 264.413 1.613 50 0 CDAAMP Cc1[nH+]ccn1CC[C@H](C)[NH2+]Cc1cnc2cnccn12 ZINC000670443476 482988633 /nfs/dbraw/zinc/98/86/33/482988633.db2.gz ZNRNJXRADNYCOZ-LBPRGKRZSA-N 2 1 284.367 1.803 50 0 CDAAMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000238853130 848404874 /nfs/dbraw/zinc/40/48/74/848404874.db2.gz IKQSGNVRSNCGPI-OAHLLOKOSA-N 2 1 260.381 1.874 50 0 CDAAMP Cc1nncn1CC[NH+](C)C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000823688776 925720440 /nfs/dbraw/zinc/72/04/40/925720440.db2.gz RCVBLHQWWRRRNS-HNNXBMFYSA-N 2 1 279.432 1.639 50 0 CDAAMP Cc1nncn1CC[N@@H+](C)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000823688776 925720448 /nfs/dbraw/zinc/72/04/48/925720448.db2.gz RCVBLHQWWRRRNS-HNNXBMFYSA-N 2 1 279.432 1.639 50 0 CDAAMP Cc1nncn1CC[N@H+](C)C[C@@H]1CCC[NH+](C(C)C)C1 ZINC000823688776 925720452 /nfs/dbraw/zinc/72/04/52/925720452.db2.gz RCVBLHQWWRRRNS-HNNXBMFYSA-N 2 1 279.432 1.639 50 0 CDAAMP CC(C)c1ncc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)cn1 ZINC000823701104 925722529 /nfs/dbraw/zinc/72/25/29/925722529.db2.gz RDYOEFLVUGYFJQ-QKDCVEJESA-N 2 1 274.412 1.839 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCC3(CC[N@@H+](C)C3)CC2)c1Cl ZINC001506415373 975155340 /nfs/dbraw/zinc/15/53/40/975155340.db2.gz XPQIGOFFTIQLGL-UHFFFAOYSA-N 2 1 295.818 1.943 50 0 CDAAMP Cc1[nH+]c(N)nc(N2CCC3(CC[N@H+](C)C3)CC2)c1Cl ZINC001506415373 975155342 /nfs/dbraw/zinc/15/53/42/975155342.db2.gz XPQIGOFFTIQLGL-UHFFFAOYSA-N 2 1 295.818 1.943 50 0 CDAAMP Cc1ccc(OCC[NH2+]CC[NH3+])c(Br)c1 ZINC000020117871 356525695 /nfs/dbraw/zinc/52/56/95/356525695.db2.gz CWDIVTPUATZCHC-UHFFFAOYSA-N 2 1 273.174 1.685 50 0 CDAAMP Nc1cc[nH+]c(N2CCC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000096163592 358712356 /nfs/dbraw/zinc/71/23/56/358712356.db2.gz FWSQLYGTTBMKCU-CYBMUJFWSA-N 2 1 275.400 1.761 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000097468355 358778841 /nfs/dbraw/zinc/77/88/41/358778841.db2.gz ZSGRDYPZXCTIGR-OAHLLOKOSA-N 2 1 263.385 1.940 50 0 CDAAMP Cc1[nH+]ccn1CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000097468353 358779212 /nfs/dbraw/zinc/77/92/12/358779212.db2.gz ZSGRDYPZXCTIGR-HNNXBMFYSA-N 2 1 263.385 1.940 50 0 CDAAMP Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000223675854 391927966 /nfs/dbraw/zinc/92/79/66/391927966.db2.gz CZZXLDWXLVABNN-ZDUSSCGKSA-N 2 1 276.384 1.260 50 0 CDAAMP [NH3+]CC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000534665548 328345176 /nfs/dbraw/zinc/34/51/76/328345176.db2.gz HDSZFWLIGMJQTQ-CYBMUJFWSA-N 2 1 260.341 1.113 50 0 CDAAMP [NH3+]CC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3n2)CCO1 ZINC000534665548 328345177 /nfs/dbraw/zinc/34/51/77/328345177.db2.gz HDSZFWLIGMJQTQ-CYBMUJFWSA-N 2 1 260.341 1.113 50 0 CDAAMP CCc1[nH+]ccn1CCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000534670112 328347067 /nfs/dbraw/zinc/34/70/67/328347067.db2.gz ARJKCDNTKKUXRM-ZDUSSCGKSA-N 2 1 278.400 1.342 50 0 CDAAMP C[N@H+]1CCC2(C1)CC[NH+](CC(C)(C)N1CCOCC1)CC2 ZINC000067833734 705945203 /nfs/dbraw/zinc/94/52/03/705945203.db2.gz YVSVBINCPLXMMN-UHFFFAOYSA-N 2 1 295.471 1.515 50 0 CDAAMP Cc1cc(C)n(C[C@@H](C)[N@H+]2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001506396360 975147964 /nfs/dbraw/zinc/14/79/64/975147964.db2.gz RXMRIVYIZWBZRK-OAHLLOKOSA-N 2 1 292.427 1.343 50 0 CDAAMP C[N@H+]1C[C@@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940992 342158780 /nfs/dbraw/zinc/15/87/80/342158780.db2.gz AQEUXLNUTKKJPI-LBPRGKRZSA-N 2 1 276.384 1.688 50 0 CDAAMP Cc1ncc(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)[nH]1 ZINC000067855454 357632917 /nfs/dbraw/zinc/63/29/17/357632917.db2.gz UEAMPBXEDJDFMV-LBPRGKRZSA-N 2 1 278.400 1.702 50 0 CDAAMP Cc1nc(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)c[nH]1 ZINC000067855454 357632922 /nfs/dbraw/zinc/63/29/22/357632922.db2.gz UEAMPBXEDJDFMV-LBPRGKRZSA-N 2 1 278.400 1.702 50 0 CDAAMP C[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2C=CCCC2)CC1 ZINC000248159824 360417445 /nfs/dbraw/zinc/41/74/45/360417445.db2.gz RXWJXZNFHZUSMX-CABCVRRESA-N 2 1 277.412 1.334 50 0 CDAAMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000178551718 189126330 /nfs/dbraw/zinc/12/63/30/189126330.db2.gz LDNNGYPSMAVLIK-OCCSQVGLSA-N 2 1 261.369 1.097 50 0 CDAAMP Cn1cc(CCC[N@@H+](C)C[C@H]2CC[C@@H]([NH3+])CC2)cn1 ZINC000244708323 376022724 /nfs/dbraw/zinc/02/27/24/376022724.db2.gz KRQLEWHOVRRIKK-OTVXOJSOSA-N 2 1 264.417 1.802 50 0 CDAAMP Fc1ccc(O[C@H]2CCOC[C@H]2[NH2+]C2CC[NH2+]CC2)cc1 ZINC000220401006 274912000 /nfs/dbraw/zinc/91/20/00/274912000.db2.gz RJHQFWOKFLCOSR-CVEARBPZSA-N 2 1 294.370 1.704 50 0 CDAAMP CCN(CC)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000003683516 276320280 /nfs/dbraw/zinc/32/02/80/276320280.db2.gz PPCBIZLRRZTOBD-AWEZNQCLSA-N 2 1 281.444 1.661 50 0 CDAAMP CCN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000003683516 276320281 /nfs/dbraw/zinc/32/02/81/276320281.db2.gz PPCBIZLRRZTOBD-AWEZNQCLSA-N 2 1 281.444 1.661 50 0 CDAAMP COCC[N@H+]1CCC[C@H](C[NH2+]C2CCOCC2)C1 ZINC000824413118 925820448 /nfs/dbraw/zinc/82/04/48/925820448.db2.gz CYFISLWRHBGWDA-CYBMUJFWSA-N 2 1 256.390 1.113 50 0 CDAAMP Cc1cc(C)c(OCCOCC[NH2+]CC[NH3+])c(C)c1 ZINC000022034191 342088886 /nfs/dbraw/zinc/08/88/86/342088886.db2.gz NSQBGSSUKOHMIO-UHFFFAOYSA-N 2 1 266.385 1.556 50 0 CDAAMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000685939654 539045809 /nfs/dbraw/zinc/04/58/09/539045809.db2.gz NDYSVAOORRUXHO-FXUDXRNXSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000685939654 539045810 /nfs/dbraw/zinc/04/58/10/539045810.db2.gz NDYSVAOORRUXHO-FXUDXRNXSA-N 2 1 265.445 1.932 50 0 CDAAMP CC(C)[NH+]1C[C@@H](C)[C@@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000685939654 539045811 /nfs/dbraw/zinc/04/58/11/539045811.db2.gz NDYSVAOORRUXHO-FXUDXRNXSA-N 2 1 265.445 1.932 50 0 CDAAMP Cn1ncc2c1CCC[N@H+](C[C@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940796 539045897 /nfs/dbraw/zinc/04/58/97/539045897.db2.gz VMGXTLUEHMTDIL-KBPBESRZSA-N 2 1 292.427 1.170 50 0 CDAAMP Cn1ncc2c1CCC[N@@H+](C[C@H](C[NH3+])C[C@@H]1CCOC1)C2 ZINC000685940796 539045898 /nfs/dbraw/zinc/04/58/98/539045898.db2.gz VMGXTLUEHMTDIL-KBPBESRZSA-N 2 1 292.427 1.170 50 0 CDAAMP COCC[NH+]1CCC(C[NH2+]Cc2cn[nH]c2C)CC1 ZINC000089534586 360358679 /nfs/dbraw/zinc/35/86/79/360358679.db2.gz YWPQGJTUXUJMKD-UHFFFAOYSA-N 2 1 266.389 1.166 50 0 CDAAMP [NH3+]C[C@@H]1CC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C[NH2+]1 ZINC000757211920 574906819 /nfs/dbraw/zinc/90/68/19/574906819.db2.gz JJIVXKCAOKVNDZ-NAKRPEOUSA-N 2 1 265.323 1.244 50 0 CDAAMP O[C@H]1[C@H]([NH+]2CCOCC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023159284 897180674 /nfs/dbraw/zinc/18/06/74/897180674.db2.gz CXCODTIXIUNWFT-CVEARBPZSA-N 2 1 288.391 1.056 50 0 CDAAMP CC[C@H]1CCCC[N@H+]1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718134 925647549 /nfs/dbraw/zinc/64/75/49/925647549.db2.gz OZDCEQMPELCORB-HNNXBMFYSA-N 2 1 281.444 1.709 50 0 CDAAMP CCO[C@H]1C[N@@H+](C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000823350065 925686620 /nfs/dbraw/zinc/68/66/20/925686620.db2.gz DDKNMYZXVCSYCS-KBPBESRZSA-N 2 1 283.460 1.604 50 0 CDAAMP CCO[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000823350065 925686639 /nfs/dbraw/zinc/68/66/39/925686639.db2.gz DDKNMYZXVCSYCS-KBPBESRZSA-N 2 1 283.460 1.604 50 0 CDAAMP CCc1[nH+]ccn1C[C@H](C)[NH2+]CCc1nc(C)cc(=O)[nH]1 ZINC000823557304 925709765 /nfs/dbraw/zinc/70/97/65/925709765.db2.gz LMJAHYKBXNGDQU-LBPRGKRZSA-N 2 1 289.383 1.470 50 0 CDAAMP Cn1ccnc1CC[N@@H+](C)C[C@H]1CC[NH+](C)C1(C)C ZINC000823690094 925721722 /nfs/dbraw/zinc/72/17/22/925721722.db2.gz LWZVJURFZRPMHE-CYBMUJFWSA-N 2 1 264.417 1.625 50 0 CDAAMP Cn1ccnc1CC[NH+](C)C[C@H]1CC[N@H+](C)C1(C)C ZINC000823690094 925721731 /nfs/dbraw/zinc/72/17/31/925721731.db2.gz LWZVJURFZRPMHE-CYBMUJFWSA-N 2 1 264.417 1.625 50 0 CDAAMP Cn1ccnc1CC[NH+](C)C[C@H]1CC[N@@H+](C)C1(C)C ZINC000823690094 925721739 /nfs/dbraw/zinc/72/17/39/925721739.db2.gz LWZVJURFZRPMHE-CYBMUJFWSA-N 2 1 264.417 1.625 50 0 CDAAMP [NH3+]CC[NH2+]CCOCCOc1cccc(Cl)c1 ZINC000019772530 935720149 /nfs/dbraw/zinc/72/01/49/935720149.db2.gz HADXOPNNRYPLTP-UHFFFAOYSA-N 2 1 258.749 1.284 50 0 CDAAMP CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530869 363456218 /nfs/dbraw/zinc/45/62/18/363456218.db2.gz VOJUROBBYILNPW-BBWFWOEESA-N 2 1 298.471 1.705 50 0 CDAAMP CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530869 363456223 /nfs/dbraw/zinc/45/62/23/363456223.db2.gz VOJUROBBYILNPW-BBWFWOEESA-N 2 1 298.471 1.705 50 0 CDAAMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)CC1 ZINC000097528088 358782360 /nfs/dbraw/zinc/78/23/60/358782360.db2.gz MGILBBJMGUNBDP-MRXNPFEDSA-N 2 1 292.423 1.974 50 0 CDAAMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)CC1 ZINC000097528088 358782361 /nfs/dbraw/zinc/78/23/61/358782361.db2.gz MGILBBJMGUNBDP-MRXNPFEDSA-N 2 1 292.423 1.974 50 0 CDAAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261709167 359550660 /nfs/dbraw/zinc/55/06/60/359550660.db2.gz MHHISMLNTUUUNR-BZUAXINKSA-N 2 1 293.455 1.851 50 0 CDAAMP CC[N@H+]1CC[C@H](c2nnc3n2CC[NH+](CC(C)C)CC3)C1 ZINC000257187205 359529014 /nfs/dbraw/zinc/52/90/14/359529014.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CC[C@H](c2nnc3n2CC[N@@H+](CC(C)C)CC3)C1 ZINC000257187205 359529019 /nfs/dbraw/zinc/52/90/19/359529019.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP CC[NH+]1CC[C@H](c2nnc3n2CC[N@H+](CC(C)C)CC3)C1 ZINC000257187205 359529023 /nfs/dbraw/zinc/52/90/23/359529023.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 2 1 291.443 1.601 50 0 CDAAMP Cc1nc(CC[NH3+])cc(N(C)C[C@@]2(C)CC[N@@H+](C)C2)n1 ZINC000067754559 359705834 /nfs/dbraw/zinc/70/58/34/359705834.db2.gz SDRLXPYHSXNDFN-HNNXBMFYSA-N 2 1 277.416 1.064 50 0 CDAAMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000299740136 375201829 /nfs/dbraw/zinc/20/18/29/375201829.db2.gz WEEYJRVVIVIRKZ-UKRRQHHQSA-N 2 1 275.396 1.487 50 0 CDAAMP [NH3+][C@H](Cc1ccccc1)c1nnc(NC2CC[NH2+]CC2)o1 ZINC001772707120 1159441349 /nfs/dbraw/zinc/44/13/49/1159441349.db2.gz PQCUHJPYSRCKBA-CYBMUJFWSA-N 2 1 287.367 1.476 50 0 CDAAMP