smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 ZINC000095497105 185374414 /nfs/dbraw/zinc/37/44/14/185374414.db2.gz KZUVIIKJTXFEPS-ZDUSSCGKSA-N 1 2 323.400 2.799 50 0 DFAALO O=C([C@H]1CCc2ccccc2C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000095509302 185375826 /nfs/dbraw/zinc/37/58/26/185375826.db2.gz NINNIYYCNIPKNQ-KRWDZBQOSA-N 1 2 309.413 2.921 50 0 DFAALO Cc1cc(C)cc(CN2CCN(c3cc[nH+]cc3F)CC2=O)c1 ZINC000095508881 185375886 /nfs/dbraw/zinc/37/58/86/185375886.db2.gz MCHCLZXUNQTTJQ-UHFFFAOYSA-N 1 2 313.376 2.686 50 0 DFAALO C/C=C/CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000095525845 185378194 /nfs/dbraw/zinc/37/81/94/185378194.db2.gz GJTIXJYWGUWFJG-YATRRXNKSA-N 1 2 324.428 2.999 50 0 DFAALO CCc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 ZINC000229296044 398354925 /nfs/dbraw/zinc/35/49/25/398354925.db2.gz KUWVUGJFXXNHRM-ZYHUDNBSSA-N 1 2 317.393 2.833 50 0 DFAALO CCc1nnc([C@@H](C)[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 ZINC000229296044 398354927 /nfs/dbraw/zinc/35/49/27/398354927.db2.gz KUWVUGJFXXNHRM-ZYHUDNBSSA-N 1 2 317.393 2.833 50 0 DFAALO CCC[C@H]1CN(Cc2ncc(C)o2)CC[N@@H+]1Cc1ncc(C)o1 ZINC000089950034 185271056 /nfs/dbraw/zinc/27/10/56/185271056.db2.gz YFPPCIJZQUXSAD-HNNXBMFYSA-N 1 2 318.421 2.766 50 0 DFAALO CCC[C@H]1CN(Cc2ncc(C)o2)CC[N@H+]1Cc1ncc(C)o1 ZINC000089950034 185271057 /nfs/dbraw/zinc/27/10/57/185271057.db2.gz YFPPCIJZQUXSAD-HNNXBMFYSA-N 1 2 318.421 2.766 50 0 DFAALO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C)c(C)c2)no1 ZINC000084177702 398394910 /nfs/dbraw/zinc/39/49/10/398394910.db2.gz MAPNHMFTZLRYQR-HZPDHXFCSA-N 1 2 301.390 2.865 50 0 DFAALO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C)c(C)c2)no1 ZINC000084177702 398394911 /nfs/dbraw/zinc/39/49/11/398394911.db2.gz MAPNHMFTZLRYQR-HZPDHXFCSA-N 1 2 301.390 2.865 50 0 DFAALO CN1c2ccccc2N(Cc2c[nH+]c3ccccn23)CCC1=O ZINC000095413176 185357989 /nfs/dbraw/zinc/35/79/89/185357989.db2.gz RZESABSDNRPHQG-UHFFFAOYSA-N 1 2 306.369 2.707 50 0 DFAALO CCCO[C@H](C)C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082155958 192362757 /nfs/dbraw/zinc/36/27/57/192362757.db2.gz ARTZMNYIMCZXKU-CQSZACIVSA-N 1 2 319.449 2.814 50 0 DFAALO COc1cc[nH+]cc1NCc1cc(OC)c(OC)c(OC)c1 ZINC000095430865 185363235 /nfs/dbraw/zinc/36/32/35/185363235.db2.gz HAIMOOIHJAHHKY-UHFFFAOYSA-N 1 2 304.346 2.728 50 0 DFAALO O=C(Nc1ccccn1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095447139 185367815 /nfs/dbraw/zinc/36/78/15/185367815.db2.gz JCYFGUCIVIIFJM-UHFFFAOYSA-N 1 2 321.384 2.813 50 0 DFAALO C[C@H](NC(=O)c1ccn2cc[nH+]c2c1)[C@H]1COc2ccccc21 ZINC000095438411 185365653 /nfs/dbraw/zinc/36/56/53/185365653.db2.gz PIVOGWKQDIHQEM-SWLSCSKDSA-N 1 2 307.353 2.629 50 0 DFAALO CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)C1(C)C ZINC000248191574 398405252 /nfs/dbraw/zinc/40/52/52/398405252.db2.gz LOOKUSHLMQLVHT-SQWLQELKSA-N 1 2 301.434 2.861 50 0 DFAALO Cn1nncc1C[N@@H+]1CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000097032752 185399478 /nfs/dbraw/zinc/39/94/78/185399478.db2.gz GTMOAIJIIZXUII-CYBMUJFWSA-N 1 2 324.400 2.850 50 0 DFAALO Cn1nncc1C[N@H+]1CCC[C@@H](Sc2ccc(F)cc2F)C1 ZINC000097032752 185399479 /nfs/dbraw/zinc/39/94/79/185399479.db2.gz GTMOAIJIIZXUII-CYBMUJFWSA-N 1 2 324.400 2.850 50 0 DFAALO CC(C)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H](C1)C2=O ZINC000019865846 398408584 /nfs/dbraw/zinc/40/85/84/398408584.db2.gz PLASYERLIISSFV-GASCZTMLSA-N 1 2 306.837 2.681 50 0 DFAALO CC(C)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H](C1)C2=O ZINC000019865846 398408587 /nfs/dbraw/zinc/40/85/87/398408587.db2.gz PLASYERLIISSFV-GASCZTMLSA-N 1 2 306.837 2.681 50 0 DFAALO Cc1cc(NC(=O)c2cnn(C)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000095468540 185372394 /nfs/dbraw/zinc/37/23/94/185372394.db2.gz VDGRGIZSWPDWGF-CYBMUJFWSA-N 1 2 313.405 2.755 50 0 DFAALO O=C(c1cccc2c1NCCC2)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000584890211 398427039 /nfs/dbraw/zinc/42/70/39/398427039.db2.gz UAYDFGMWKXBHDY-UHFFFAOYSA-N 1 2 324.428 2.794 50 0 DFAALO Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCc2[nH+]ccn2C1 ZINC000065463087 282447957 /nfs/dbraw/zinc/44/79/57/282447957.db2.gz HYGIZLOVGGTTJP-CQSZACIVSA-N 1 2 322.368 2.591 50 0 DFAALO Cc1cc(C[NH2+][C@H](c2nc(C)no2)C2CCOCC2)c(C)o1 ZINC000328625533 398566032 /nfs/dbraw/zinc/56/60/32/398566032.db2.gz KVRTUTJWTIMZHX-HNNXBMFYSA-N 1 2 305.378 2.845 50 0 DFAALO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cncn2)cs1 ZINC000069518106 398574671 /nfs/dbraw/zinc/57/46/71/398574671.db2.gz IOUSYGODLYWHPP-CYBMUJFWSA-N 1 2 305.451 2.697 50 0 DFAALO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2Cn2cncn2)cs1 ZINC000069518106 398574675 /nfs/dbraw/zinc/57/46/75/398574675.db2.gz IOUSYGODLYWHPP-CYBMUJFWSA-N 1 2 305.451 2.697 50 0 DFAALO C[C@H](c1ccncn1)n1cc[nH+]c1-c1ccc2c(c1)OCCO2 ZINC000072141970 191050077 /nfs/dbraw/zinc/05/00/77/191050077.db2.gz AHFFRMKJOXXJBT-GFCCVEGCSA-N 1 2 308.341 2.721 50 0 DFAALO CCCn1ccnc1C[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072157822 191061311 /nfs/dbraw/zinc/06/13/11/191061311.db2.gz OIAQQBNXZOPFPL-KRWDZBQOSA-N 1 2 314.433 2.869 50 0 DFAALO CCCn1ccnc1C[N@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072157822 191061313 /nfs/dbraw/zinc/06/13/13/191061313.db2.gz OIAQQBNXZOPFPL-KRWDZBQOSA-N 1 2 314.433 2.869 50 0 DFAALO Cc1cc(C)cc(C2(C(=O)N[C@@H]3CCc4[nH+]ccn4C3)CC2)c1 ZINC000072278669 191100515 /nfs/dbraw/zinc/10/05/15/191100515.db2.gz NEIOGWFFSBQORJ-MRXNPFEDSA-N 1 2 309.413 2.663 50 0 DFAALO Cc1cnn(C2CN(Cc3cn4cc(Cl)ccc4[nH+]3)C2)c1 ZINC000095373340 398657839 /nfs/dbraw/zinc/65/78/39/398657839.db2.gz WKRCBTGVBOZDJF-UHFFFAOYSA-N 1 2 301.781 2.550 50 0 DFAALO COc1cccc(-c2ccc(=O)n(C[NH+]3CCCCCC3)n2)c1 ZINC000072402272 191150847 /nfs/dbraw/zinc/15/08/47/191150847.db2.gz HXPGSIIHENRCIS-UHFFFAOYSA-N 1 2 313.401 2.752 50 0 DFAALO O=C(c1ccccc1-n1cccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000072425524 191159554 /nfs/dbraw/zinc/15/95/54/191159554.db2.gz STZBNACYMXYMBC-UHFFFAOYSA-N 1 2 321.384 2.615 50 0 DFAALO CCN1C[C@]2(CCCN(c3nc(C)[nH+]c(C)c3C)C2)CCC1=O ZINC000072475023 191176504 /nfs/dbraw/zinc/17/65/04/191176504.db2.gz MDSLLEVPJRMFIF-SFHVURJKSA-N 1 2 316.449 2.631 50 0 DFAALO Cc1cc(OC(F)F)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)s1 ZINC000072563746 191195385 /nfs/dbraw/zinc/19/53/85/191195385.db2.gz PCBFRHTZIIUJRZ-MRVPVSSYSA-N 1 2 315.345 2.673 50 0 DFAALO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000110668205 398722965 /nfs/dbraw/zinc/72/29/65/398722965.db2.gz BBMMYQGLGOLFAS-FPCVCCKLSA-N 1 2 302.422 2.808 50 0 DFAALO CCc1cnc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000074843298 191371680 /nfs/dbraw/zinc/37/16/80/191371680.db2.gz CZLSVWNXRCCHPG-NSHDSACASA-N 1 2 319.434 2.518 50 0 DFAALO CCCc1noc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CC)n1 ZINC000076046995 398835489 /nfs/dbraw/zinc/83/54/89/398835489.db2.gz CAXAIKDBLREWSP-AAEUAGOBSA-N 1 2 303.410 2.967 50 0 DFAALO COc1cccc([C@H]2CN(Cc3cccc4[nH+]ccn43)CCO2)c1 ZINC000180047751 199112463 /nfs/dbraw/zinc/11/24/63/199112463.db2.gz RGUZMWZQOSOMSP-GOSISDBHSA-N 1 2 323.396 2.916 50 0 DFAALO c1c(CN2CCC[C@H]2c2noc(C3CC3)n2)[nH+]c2ccccn12 ZINC000076047429 398835121 /nfs/dbraw/zinc/83/51/21/398835121.db2.gz ABWHVBSEIFYSQB-AWEZNQCLSA-N 1 2 309.373 2.932 50 0 DFAALO CCc1noc([C@H](C)[N@H+](C)CCOc2ccc(OC)cc2)n1 ZINC000152622312 283332301 /nfs/dbraw/zinc/33/23/01/283332301.db2.gz AKSSYBGKRPARCU-LBPRGKRZSA-N 1 2 305.378 2.712 50 0 DFAALO CCc1noc([C@H](C)[N@@H+](C)CCOc2ccc(OC)cc2)n1 ZINC000152622312 283332305 /nfs/dbraw/zinc/33/23/05/283332305.db2.gz AKSSYBGKRPARCU-LBPRGKRZSA-N 1 2 305.378 2.712 50 0 DFAALO CO[C@@H](C(=O)NCCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000170593390 399006799 /nfs/dbraw/zinc/00/67/99/399006799.db2.gz WMUIQAZOYAXTQY-QGZVFWFLSA-N 1 2 323.396 2.689 50 0 DFAALO CC(=O)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006723884 181376508 /nfs/dbraw/zinc/37/65/08/181376508.db2.gz MNFUZDGECPLXQT-UHFFFAOYSA-N 1 2 319.355 2.968 50 0 DFAALO CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1[nH]cc(C)[nH+]1 ZINC000091305777 193036815 /nfs/dbraw/zinc/03/68/15/193036815.db2.gz ASXGRKXIEKUJQJ-CQSZACIVSA-N 1 2 309.373 2.989 50 0 DFAALO C[C@@H]1C[N@@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000091619868 193079901 /nfs/dbraw/zinc/07/99/01/193079901.db2.gz JYJBSZQXWGYJDG-PHIMTYICSA-N 1 2 306.793 2.791 50 0 DFAALO C[C@@H]1C[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000091619868 193079903 /nfs/dbraw/zinc/07/99/03/193079903.db2.gz JYJBSZQXWGYJDG-PHIMTYICSA-N 1 2 306.793 2.791 50 0 DFAALO CCCCn1nc(COc2ccccc2)nc1Cn1cc[nH+]c1 ZINC000091645947 193085034 /nfs/dbraw/zinc/08/50/34/193085034.db2.gz VLJQFUGGKKSQDL-UHFFFAOYSA-N 1 2 311.389 2.902 50 0 DFAALO CCn1cc[nH+]c1CN(C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091860874 193118833 /nfs/dbraw/zinc/11/88/33/193118833.db2.gz CUVHDOICSCKECN-UHFFFAOYSA-N 1 2 314.364 2.516 50 0 DFAALO COc1ccc2c(C)c(C(=O)NC[C@@H](C)n3cc[nH+]c3)oc2c1 ZINC000092001526 193139594 /nfs/dbraw/zinc/13/95/94/193139594.db2.gz HIJBURYBWAOIQI-LLVKDONJSA-N 1 2 313.357 2.937 50 0 DFAALO COc1ccc2c(c1)OC[C@@H](Cc1nc(N(C)C)c(C)c[nH+]1)C2 ZINC000092002832 193140021 /nfs/dbraw/zinc/14/00/21/193140021.db2.gz FVDKRVQEFZGJQJ-CYBMUJFWSA-N 1 2 313.401 2.653 50 0 DFAALO Cc1[nH]c2c(c1CC(=O)NCCc1c[nH+]c[nH]1)c(C)ccc2C ZINC000092022643 193143414 /nfs/dbraw/zinc/14/34/14/193143414.db2.gz IRKWGSQSUYUYET-UHFFFAOYSA-N 1 2 310.401 2.718 50 0 DFAALO Cc1[nH]c2c(c1CC(=O)NCCc1c[nH]c[nH+]1)c(C)ccc2C ZINC000092022643 193143416 /nfs/dbraw/zinc/14/34/16/193143416.db2.gz IRKWGSQSUYUYET-UHFFFAOYSA-N 1 2 310.401 2.718 50 0 DFAALO CCn1ncnc1C[N@H+](C)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000215284571 201456107 /nfs/dbraw/zinc/45/61/07/201456107.db2.gz KIZITGPVXLLRCH-UHFFFAOYSA-N 1 2 324.432 2.733 50 0 DFAALO CCn1ncnc1C[N@@H+](C)Cc1cccc(-n2nc(C)cc2C)c1 ZINC000215284571 201456111 /nfs/dbraw/zinc/45/61/11/201456111.db2.gz KIZITGPVXLLRCH-UHFFFAOYSA-N 1 2 324.432 2.733 50 0 DFAALO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000095977285 193472209 /nfs/dbraw/zinc/47/22/09/193472209.db2.gz PKKWUDZNHFOMSD-HNNXBMFYSA-N 1 2 309.413 2.659 50 0 DFAALO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000095977285 193472210 /nfs/dbraw/zinc/47/22/10/193472210.db2.gz PKKWUDZNHFOMSD-HNNXBMFYSA-N 1 2 309.413 2.659 50 0 DFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc2[nH]cnc2c1 ZINC000012530119 181771637 /nfs/dbraw/zinc/77/16/37/181771637.db2.gz TZDKKPVMHIUXMP-UHFFFAOYSA-N 1 2 319.368 2.651 50 0 DFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)Cc1ccc(F)cc1 ZINC000015135777 181990332 /nfs/dbraw/zinc/99/03/32/181990332.db2.gz VBKVQJFNHDQFHT-UHFFFAOYSA-N 1 2 311.360 2.843 50 0 DFAALO O=C(CCn1cc[nH+]c1)Nc1ccc(Br)cc1F ZINC000015733719 182014436 /nfs/dbraw/zinc/01/44/36/182014436.db2.gz QVNFZWVWFBJVDT-UHFFFAOYSA-N 1 2 312.142 2.814 50 0 DFAALO COCCCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000266427655 205337719 /nfs/dbraw/zinc/33/77/19/205337719.db2.gz CLKGFTZTGMOPLQ-UHFFFAOYSA-N 1 2 301.390 2.580 50 0 DFAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000017066524 182074799 /nfs/dbraw/zinc/07/47/99/182074799.db2.gz KCSSQGFWCQJBQG-UHFFFAOYSA-N 1 2 324.490 2.601 50 0 DFAALO O=C(c1ccccc1F)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000019349145 182117529 /nfs/dbraw/zinc/11/75/29/182117529.db2.gz AASWQLBRYLBLDN-UHFFFAOYSA-N 1 2 316.351 2.923 50 0 DFAALO O=C(c1ccco1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019376030 182120850 /nfs/dbraw/zinc/12/08/50/182120850.db2.gz HZDVQZKEWSXXOR-UHFFFAOYSA-N 1 2 309.369 2.719 50 0 DFAALO O=C(c1cccnc1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019790085 182149057 /nfs/dbraw/zinc/14/90/57/182149057.db2.gz MKYDHYOYVOZILX-UHFFFAOYSA-N 1 2 315.804 2.693 50 0 DFAALO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000019811631 182152709 /nfs/dbraw/zinc/15/27/09/182152709.db2.gz RJYXMUNGDDBXHX-JTQLQIEISA-N 1 2 317.216 2.535 50 0 DFAALO CCCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020582941 182234639 /nfs/dbraw/zinc/23/46/39/182234639.db2.gz XSGDOJPJBWIHGJ-UHFFFAOYSA-N 1 2 309.841 2.967 50 0 DFAALO CN1CC[NH+](Cc2ccc(C(=O)c3ccccc3F)cc2)CC1 ZINC000022027931 182304838 /nfs/dbraw/zinc/30/48/38/182304838.db2.gz RBZLYAXXZSSPEJ-UHFFFAOYSA-N 1 2 312.388 2.804 50 0 DFAALO CCc1nnsc1C(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000022696171 182331155 /nfs/dbraw/zinc/33/11/55/182331155.db2.gz IEMPYZBJGDEJQX-UHFFFAOYSA-N 1 2 318.446 2.747 50 0 DFAALO CCc1nnsc1C(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000022696171 182331157 /nfs/dbraw/zinc/33/11/57/182331157.db2.gz IEMPYZBJGDEJQX-UHFFFAOYSA-N 1 2 318.446 2.747 50 0 DFAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000023320234 182357124 /nfs/dbraw/zinc/35/71/24/182357124.db2.gz ZLFRVAYAWBORAS-SJORKVTESA-N 1 2 323.371 2.936 50 0 DFAALO OCC[C@H]1C[N@H+](Cc2ccsc2)CCN1Cc1cccs1 ZINC000023359692 182358105 /nfs/dbraw/zinc/35/81/05/182358105.db2.gz QHKWVJIWDHEBFV-HNNXBMFYSA-N 1 2 322.499 2.878 50 0 DFAALO OCC[C@H]1C[N@@H+](Cc2ccsc2)CCN1Cc1cccs1 ZINC000023359692 182358107 /nfs/dbraw/zinc/35/81/07/182358107.db2.gz QHKWVJIWDHEBFV-HNNXBMFYSA-N 1 2 322.499 2.878 50 0 DFAALO O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000025006772 182399138 /nfs/dbraw/zinc/39/91/38/182399138.db2.gz LQUSXLLMSOKDIE-UHFFFAOYSA-N 1 2 317.352 2.930 50 0 DFAALO CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000040018140 183028368 /nfs/dbraw/zinc/02/83/68/183028368.db2.gz GIFYZWHYNUZOKB-OAHLLOKOSA-N 1 2 316.405 2.617 50 0 DFAALO CCCCn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000039985884 183026305 /nfs/dbraw/zinc/02/63/05/183026305.db2.gz AMTGWBVZHRDJPE-MRXNPFEDSA-N 1 2 315.421 2.819 50 0 DFAALO CCCCn1nnnc1C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000039985884 183026307 /nfs/dbraw/zinc/02/63/07/183026307.db2.gz AMTGWBVZHRDJPE-MRXNPFEDSA-N 1 2 315.421 2.819 50 0 DFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCc2ccccc21 ZINC000040553587 183100590 /nfs/dbraw/zinc/10/05/90/183100590.db2.gz QRQWTYHPKJNXDM-UHFFFAOYSA-N 1 2 319.368 2.540 50 0 DFAALO O=C(Nc1ccc(F)c(F)c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000043266584 183349051 /nfs/dbraw/zinc/34/90/51/183349051.db2.gz PVZSPQQFAZUGKC-UHFFFAOYSA-N 1 2 321.327 2.908 50 0 DFAALO CC[C@@H]1c2ccsc2CCN1C(=O)NCCn1cc[nH+]c1 ZINC000043311313 183354287 /nfs/dbraw/zinc/35/42/87/183354287.db2.gz 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CN(C(=O)/C=C\c1ccco1)C1CCN(c2cccc[nH+]2)CC1 ZINC000096256372 426411784 /nfs/dbraw/zinc/41/17/84/426411784.db2.gz WHWCGSCWTDUYIH-FPLPWBNLSA-N 1 2 311.385 2.815 50 0 DFAALO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1nnc(C2CCC2)o1 ZINC000096410338 426415943 /nfs/dbraw/zinc/41/59/43/426415943.db2.gz PGJHBQMTZIQEDZ-LLVKDONJSA-N 1 2 324.425 2.682 50 0 DFAALO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1nnc(C2CCC2)o1 ZINC000096410338 426415946 /nfs/dbraw/zinc/41/59/46/426415946.db2.gz PGJHBQMTZIQEDZ-LLVKDONJSA-N 1 2 324.425 2.682 50 0 DFAALO CCOc1ncccc1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096409825 426416335 /nfs/dbraw/zinc/41/63/35/426416335.db2.gz LNJXENPVRDOGMI-UHFFFAOYSA-N 1 2 322.368 2.596 50 0 DFAALO CSCCCNC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000096413403 426417498 /nfs/dbraw/zinc/41/74/98/426417498.db2.gz PGIFHGBBVCFZPQ-UHFFFAOYSA-N 1 2 304.419 2.962 50 0 DFAALO CCc1cc(N[C@@H](C)[C@@H](CO)SC)nc(-c2ccncc2)[nH+]1 ZINC000096417324 426418162 /nfs/dbraw/zinc/41/81/62/426418162.db2.gz 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Cc1n[nH]c(C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c1Cl ZINC000097295363 426462625 /nfs/dbraw/zinc/46/26/25/426462625.db2.gz BAXYUGHZZPZORB-GFCCVEGCSA-N 1 2 318.808 2.861 50 0 DFAALO Cc1n[nH]c(C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c1Cl ZINC000097295363 426462627 /nfs/dbraw/zinc/46/26/27/426462627.db2.gz BAXYUGHZZPZORB-GFCCVEGCSA-N 1 2 318.808 2.861 50 0 DFAALO CCN(CC)c1nc(N)cc(-c2cc(OC)cc(OC)c2)[nH+]1 ZINC000097642141 426470679 /nfs/dbraw/zinc/47/06/79/426470679.db2.gz ACOTZXLVIUPJLF-UHFFFAOYSA-N 1 2 302.378 2.589 50 0 DFAALO C[NH+](C)c1ccc(N[C@H]2CC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000101130754 426483891 /nfs/dbraw/zinc/48/38/91/426483891.db2.gz MXDZUSPAJFJVKI-INIZCTEOSA-N 1 2 315.417 2.625 50 0 DFAALO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280238038 426527891 /nfs/dbraw/zinc/52/78/91/426527891.db2.gz KHQUGZFXHNGOBZ-MLGOLLRUSA-N 1 2 311.809 2.728 50 0 DFAALO COc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280238038 426527894 /nfs/dbraw/zinc/52/78/94/426527894.db2.gz 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/nfs/dbraw/zinc/60/33/62/426603362.db2.gz CSKGGNFJTDPQCU-UHFFFAOYSA-N 1 2 314.780 2.725 50 0 DFAALO CCc1nc(N2C[C@H](O)C[C@H]2c2cccc(OC)c2)cc(C)[nH+]1 ZINC000225474919 426603964 /nfs/dbraw/zinc/60/39/64/426603964.db2.gz VGTWWVSPIHSCTQ-ZBFHGGJFSA-N 1 2 313.401 2.668 50 0 DFAALO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000225524487 426606308 /nfs/dbraw/zinc/60/63/08/426606308.db2.gz MWXGIUQMURHXGP-UHFFFAOYSA-N 1 2 316.405 2.630 50 0 DFAALO CCS(=O)(=O)c1ccccc1NCC[N@H+]1CC=C(C)CC1 ZINC000225523025 426606901 /nfs/dbraw/zinc/60/69/01/426606901.db2.gz FAULVTQOAIUPNO-UHFFFAOYSA-N 1 2 308.447 2.544 50 0 DFAALO CCS(=O)(=O)c1ccccc1NCC[N@@H+]1CC=C(C)CC1 ZINC000225523025 426606907 /nfs/dbraw/zinc/60/69/07/426606907.db2.gz FAULVTQOAIUPNO-UHFFFAOYSA-N 1 2 308.447 2.544 50 0 DFAALO c1coc(-c2ncc(C[N@@H+]3CCO[C@@H](c4cccnc4)C3)cn2)c1 ZINC000216367220 426559765 /nfs/dbraw/zinc/55/97/65/426559765.db2.gz YTIUBWAAMMKRKP-QGZVFWFLSA-N 1 2 322.368 2.705 50 0 DFAALO c1coc(-c2ncc(C[N@H+]3CCO[C@@H](c4cccnc4)C3)cn2)c1 ZINC000216367220 426559770 /nfs/dbraw/zinc/55/97/70/426559770.db2.gz YTIUBWAAMMKRKP-QGZVFWFLSA-N 1 2 322.368 2.705 50 0 DFAALO COc1cccc(Cl)c1CNc1[nH+]cnc2c1cnn2C ZINC000234964819 426657716 /nfs/dbraw/zinc/65/77/16/426657716.db2.gz RTSHZLFFSAYHDO-UHFFFAOYSA-N 1 2 303.753 2.637 50 0 DFAALO CC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000242339147 426720358 /nfs/dbraw/zinc/72/03/58/426720358.db2.gz ZFHMNQJNWGSLKY-DZGCQCFKSA-N 1 2 312.335 2.765 50 0 DFAALO CC[N@H+]1CC[C@H](NC(=O)C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000242339147 426720362 /nfs/dbraw/zinc/72/03/62/426720362.db2.gz ZFHMNQJNWGSLKY-DZGCQCFKSA-N 1 2 312.335 2.765 50 0 DFAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2nnc(-c3cccnc3)o2)on1 ZINC000244874167 426728144 /nfs/dbraw/zinc/72/81/44/426728144.db2.gz WVUXLBYCJWRLGQ-CYBMUJFWSA-N 1 2 311.345 2.765 50 0 DFAALO Cc1cc([C@H]2CCC[N@H+]2Cc2nnc(-c3cccnc3)o2)on1 ZINC000244874167 426728149 /nfs/dbraw/zinc/72/81/49/426728149.db2.gz WVUXLBYCJWRLGQ-CYBMUJFWSA-N 1 2 311.345 2.765 50 0 DFAALO Cc1cnc(CN2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)o1 ZINC000275575488 426872310 /nfs/dbraw/zinc/87/23/10/426872310.db2.gz FMGPZHYJDGRMRL-HNNXBMFYSA-N 1 2 300.406 2.932 50 0 DFAALO Cc1ccc2c(c1)[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@H](C)C2 ZINC000182412978 427073052 /nfs/dbraw/zinc/07/30/52/427073052.db2.gz BXXRDWBFHCKCEN-PBHICJAKSA-N 1 2 312.417 2.814 50 0 DFAALO C[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182641231 427116876 /nfs/dbraw/zinc/11/68/76/427116876.db2.gz FBXMKIROBWYPPU-OCCSQVGLSA-N 1 2 308.426 2.677 50 0 DFAALO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000253592024 427217257 /nfs/dbraw/zinc/21/72/57/427217257.db2.gz SGOFYZOGCHIEKB-IPYPFGDCSA-N 1 2 313.401 2.663 50 0 DFAALO O=C1c2ccccc2[C@@H]2N1CCC[N@@H+]2CCCc1cccnc1 ZINC000252481321 427177026 /nfs/dbraw/zinc/17/70/26/427177026.db2.gz CIVNXWLNILBDJK-SFHVURJKSA-N 1 2 307.397 2.875 50 0 DFAALO O=C1c2ccccc2[C@@H]2N1CCC[N@H+]2CCCc1cccnc1 ZINC000252481321 427177029 /nfs/dbraw/zinc/17/70/29/427177029.db2.gz CIVNXWLNILBDJK-SFHVURJKSA-N 1 2 307.397 2.875 50 0 DFAALO CSc1nnc(C[NH2+]Cc2ccc(N3CCCC3)nc2)s1 ZINC000252549228 427188659 /nfs/dbraw/zinc/18/86/59/427188659.db2.gz QWVTWQLLVMCENG-UHFFFAOYSA-N 1 2 321.475 2.545 50 0 DFAALO CC(C)c1nnc2n1CC[N@@H+](CCCO[C@@H]1CCCCO1)[C@H]2C ZINC000253392879 427202141 /nfs/dbraw/zinc/20/21/41/427202141.db2.gz YZCBMGBXIVBJKS-LSDHHAIUSA-N 1 2 322.453 2.711 50 0 DFAALO CC(C)c1nnc2n1CC[N@H+](CCCO[C@@H]1CCCCO1)[C@H]2C ZINC000253392879 427202146 /nfs/dbraw/zinc/20/21/46/427202146.db2.gz YZCBMGBXIVBJKS-LSDHHAIUSA-N 1 2 322.453 2.711 50 0 DFAALO CC[C@@H]1c2[nH+]ccn2CCCN1C(=O)Cc1cccc(OC)c1 ZINC000253412783 427203937 /nfs/dbraw/zinc/20/39/37/427203937.db2.gz RZUAKGQISDTKNC-MRXNPFEDSA-N 1 2 313.401 2.818 50 0 DFAALO Cc1noc(C)c1CC(=O)N1CCCn2cc[nH+]c2[C@H]1C(C)C ZINC000257195416 427307923 /nfs/dbraw/zinc/30/79/23/427307923.db2.gz WBHJYKMSFQETDZ-MRXNPFEDSA-N 1 2 316.405 2.660 50 0 DFAALO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365829 427334959 /nfs/dbraw/zinc/33/49/59/427334959.db2.gz SVJGAOZAEHGOSC-JSGCOSHPSA-N 1 2 301.394 2.759 50 0 DFAALO C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000257365829 427334967 /nfs/dbraw/zinc/33/49/67/427334967.db2.gz SVJGAOZAEHGOSC-JSGCOSHPSA-N 1 2 301.394 2.759 50 0 DFAALO COc1ncccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343702493 272204434 /nfs/dbraw/zinc/20/44/34/272204434.db2.gz FGLVIXSEVWOACJ-CVEARBPZSA-N 1 2 302.349 2.537 50 0 DFAALO COc1ncccc1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000343702493 272204436 /nfs/dbraw/zinc/20/44/36/272204436.db2.gz FGLVIXSEVWOACJ-CVEARBPZSA-N 1 2 302.349 2.537 50 0 DFAALO O=C(NCCCc1nc2ccccc2o1)C1(Cn2cc[nH+]c2)CC1 ZINC000299773080 427767856 /nfs/dbraw/zinc/76/78/56/427767856.db2.gz CQAJVXYSAUDYQU-UHFFFAOYSA-N 1 2 324.384 2.554 50 0 DFAALO COc1ccc(F)c(F)c1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000299775693 427768303 /nfs/dbraw/zinc/76/83/03/427768303.db2.gz 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O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(F)cc1F ZINC000004727793 181144046 /nfs/dbraw/zinc/14/40/46/181144046.db2.gz YZZKERGZGFWNDI-UHFFFAOYSA-N 1 2 302.324 2.962 50 0 DFAALO CCSCC[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000074912039 191385204 /nfs/dbraw/zinc/38/52/04/191385204.db2.gz WFTMWEUJOLYJHZ-CHWSQXEVSA-N 1 2 310.467 2.830 50 0 DFAALO CC(C)(C)c1ccccc1OCC(=O)NCCCn1cc[nH+]c1 ZINC000004999107 181188092 /nfs/dbraw/zinc/18/80/92/181188092.db2.gz KYXNXENMGBUTBL-UHFFFAOYSA-N 1 2 315.417 2.766 50 0 DFAALO C[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000051182728 425882759 /nfs/dbraw/zinc/88/27/59/425882759.db2.gz UQJBHSNWHXNFNH-CYBMUJFWSA-N 1 2 302.349 2.938 50 0 DFAALO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cc(C)cc(C)c2)no1 ZINC000076042848 398835384 /nfs/dbraw/zinc/83/53/84/398835384.db2.gz GBTHUYUZTUPXKO-HZPDHXFCSA-N 1 2 301.390 2.865 50 0 DFAALO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2cc(C)cc(C)c2)no1 ZINC000076042848 398835385 /nfs/dbraw/zinc/83/53/85/398835385.db2.gz 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ZINC000093384806 193241434 /nfs/dbraw/zinc/24/14/34/193241434.db2.gz PVWBYOAEDIUMEO-NSHDSACASA-N 1 2 303.493 2.911 50 0 DFAALO C[C@@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000093384806 193241436 /nfs/dbraw/zinc/24/14/36/193241436.db2.gz PVWBYOAEDIUMEO-NSHDSACASA-N 1 2 303.493 2.911 50 0 DFAALO CC(C)(C)c1ncc(C[NH+]2CCC(c3nc[nH]n3)CC2)s1 ZINC000093646337 193283087 /nfs/dbraw/zinc/28/30/87/193283087.db2.gz LOBMFRMCRSJNCD-UHFFFAOYSA-N 1 2 305.451 2.938 50 0 DFAALO C[C@@H](CNc1ncnc2cc(F)c(F)cc21)Cn1cc[nH+]c1 ZINC000096429199 193637986 /nfs/dbraw/zinc/63/79/86/193637986.db2.gz VQYSTHGNNHTNNY-JTQLQIEISA-N 1 2 303.316 2.853 50 0 DFAALO Cc1ccc2[nH+]c(CSc3ncnc4c3cnn4C)cn2c1 ZINC000011494737 181691439 /nfs/dbraw/zinc/69/14/39/181691439.db2.gz RMRPRKGAVBFLRZ-UHFFFAOYSA-N 1 2 310.386 2.612 50 0 DFAALO O=C(Cc1cccs1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000016605022 182052506 /nfs/dbraw/zinc/05/25/06/182052506.db2.gz NEXXFJKUQYNSJT-UHFFFAOYSA-N 1 2 318.417 2.774 50 0 DFAALO CCOc1ccccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000016603380 182052636 /nfs/dbraw/zinc/05/26/36/182052636.db2.gz YGQSQCIJDPWDHG-UHFFFAOYSA-N 1 2 314.385 2.636 50 0 DFAALO CC[N@H+](CC(=O)N(C)C)Cc1nc(-c2cccs2)oc1C ZINC000069415234 284378920 /nfs/dbraw/zinc/37/89/20/284378920.db2.gz JECSXPIHRYLWON-UHFFFAOYSA-N 1 2 307.419 2.622 50 0 DFAALO CC[N@@H+](CC(=O)N(C)C)Cc1nc(-c2cccs2)oc1C ZINC000069415234 284378922 /nfs/dbraw/zinc/37/89/22/284378922.db2.gz JECSXPIHRYLWON-UHFFFAOYSA-N 1 2 307.419 2.622 50 0 DFAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000019342927 182116779 /nfs/dbraw/zinc/11/67/79/182116779.db2.gz ZCLIKWNYNSNXHG-UHFFFAOYSA-N 1 2 302.399 2.833 50 0 DFAALO COc1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(OC)c1 ZINC000019360202 182119045 /nfs/dbraw/zinc/11/90/45/182119045.db2.gz YFXURUYQNULWME-UHFFFAOYSA-N 1 2 316.401 2.615 50 0 DFAALO COc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)c(OC)c1 ZINC000019360202 182119047 /nfs/dbraw/zinc/11/90/47/182119047.db2.gz YFXURUYQNULWME-UHFFFAOYSA-N 1 2 316.401 2.615 50 0 DFAALO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[NH+]1CCOCC1 ZINC000019793263 182149987 /nfs/dbraw/zinc/14/99/87/182149987.db2.gz QUSXZQWCTRINDO-UHFFFAOYSA-N 1 2 306.793 2.631 50 0 DFAALO CCN1CC[NH+]([C@@H](c2cccs2)[C@H](C)NC(=O)C(C)C)CC1 ZINC000020288032 182203158 /nfs/dbraw/zinc/20/31/58/182203158.db2.gz SWBDOJSSVFWGLH-GOEBONIOSA-N 1 2 323.506 2.587 50 0 DFAALO Fc1cccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1 ZINC000020534270 182227680 /nfs/dbraw/zinc/22/76/80/182227680.db2.gz YWINJMFDCLHSLY-UHFFFAOYSA-N 1 2 324.403 2.791 50 0 DFAALO C[C@@H](Cc1ccccc1)[N@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000021486709 182275309 /nfs/dbraw/zinc/27/53/09/182275309.db2.gz UFVKVHHVJCRZAD-AWEZNQCLSA-N 1 2 308.381 2.803 50 0 DFAALO C[C@@H](Cc1ccccc1)[N@@H+](C)CN1C(=O)c2ccccc2C1=O ZINC000021486709 182275311 /nfs/dbraw/zinc/27/53/11/182275311.db2.gz UFVKVHHVJCRZAD-AWEZNQCLSA-N 1 2 308.381 2.803 50 0 DFAALO CN(C)c1nc2c(cnn2C)c(NCc2cccc(Cl)c2)[nH+]1 ZINC000021637405 182281272 /nfs/dbraw/zinc/28/12/72/182281272.db2.gz 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/nfs/dbraw/zinc/37/38/50/182373850.db2.gz SLLSMMWABFHOLK-UHFFFAOYSA-N 1 2 308.381 2.922 50 0 DFAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)[C@H](CCO)C2)o1 ZINC000039445519 183018626 /nfs/dbraw/zinc/01/86/26/183018626.db2.gz BAMWHMZVECOOOC-MRXNPFEDSA-N 1 2 318.417 2.558 50 0 DFAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)[C@H](CCO)C2)o1 ZINC000039445519 183018627 /nfs/dbraw/zinc/01/86/27/183018627.db2.gz BAMWHMZVECOOOC-MRXNPFEDSA-N 1 2 318.417 2.558 50 0 DFAALO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)o3)C[C@H]2CCO)o1 ZINC000039445519 183018631 /nfs/dbraw/zinc/01/86/31/183018631.db2.gz BAMWHMZVECOOOC-MRXNPFEDSA-N 1 2 318.417 2.558 50 0 DFAALO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)o3)C[C@H]2CCO)o1 ZINC000039445519 183018634 /nfs/dbraw/zinc/01/86/34/183018634.db2.gz BAMWHMZVECOOOC-MRXNPFEDSA-N 1 2 318.417 2.558 50 0 DFAALO Fc1cccc(-c2nn3c(C[NH+]4CCCCC4)nnc3s2)c1 ZINC000039389198 183018771 /nfs/dbraw/zinc/01/87/71/183018771.db2.gz HFKDWZMMTGHFNR-UHFFFAOYSA-N 1 2 317.393 2.978 50 0 DFAALO CCCn1nnnc1C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000039987631 183026371 /nfs/dbraw/zinc/02/63/71/183026371.db2.gz RWTUFYLNUFWKIH-MRXNPFEDSA-N 1 2 315.421 2.819 50 0 DFAALO CCCn1nnnc1C[N@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000039987631 183026374 /nfs/dbraw/zinc/02/63/74/183026374.db2.gz RWTUFYLNUFWKIH-MRXNPFEDSA-N 1 2 315.421 2.819 50 0 DFAALO CC[C@@H]1CCc2sc(C(=O)NCCn3cc[nH+]c3)cc2C1 ZINC000040160172 183041009 /nfs/dbraw/zinc/04/10/09/183041009.db2.gz QXUWYTBGKQHQKZ-GFCCVEGCSA-N 1 2 303.431 2.890 50 0 DFAALO CCc1noc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2OC)n1 ZINC000040489633 183078889 /nfs/dbraw/zinc/07/88/89/183078889.db2.gz GIHRMMIWCRPHCN-AWEZNQCLSA-N 1 2 317.389 2.986 50 0 DFAALO CCc1noc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2OC)n1 ZINC000040489633 183078891 /nfs/dbraw/zinc/07/88/91/183078891.db2.gz GIHRMMIWCRPHCN-AWEZNQCLSA-N 1 2 317.389 2.986 50 0 DFAALO CCc1noc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000040489599 183078897 /nfs/dbraw/zinc/07/88/97/183078897.db2.gz COVTYYQCXYHPMI-CYBMUJFWSA-N 1 2 315.373 2.740 50 0 DFAALO CCc1noc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000040489599 183078900 /nfs/dbraw/zinc/07/89/00/183078900.db2.gz COVTYYQCXYHPMI-CYBMUJFWSA-N 1 2 315.373 2.740 50 0 DFAALO Cc1nc(NC(=O)Cc2cn3cccc(C)c3[nH+]2)sc1C ZINC000041304144 183184487 /nfs/dbraw/zinc/18/44/87/183184487.db2.gz CTOOBQWJIIYREP-UHFFFAOYSA-N 1 2 300.387 2.897 50 0 DFAALO COC(=O)[C@@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2Cl)C[NH2+]1 ZINC000042783171 183308869 /nfs/dbraw/zinc/30/88/69/183308869.db2.gz VHWFSPDLGCFQJD-WKEGUHRASA-N 1 2 324.591 2.929 50 0 DFAALO O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@H]1c1ccccc1 ZINC000043477055 183365597 /nfs/dbraw/zinc/36/55/97/183365597.db2.gz XTTFYINULMCOOF-INIZCTEOSA-N 1 2 306.369 2.991 50 0 DFAALO Cc1cc(NC(=O)CCn2c[nH+]c3cc(F)c(F)cc32)no1 ZINC000043650456 183377883 /nfs/dbraw/zinc/37/78/83/183377883.db2.gz IGPDMKVMAQZSSE-UHFFFAOYSA-N 1 2 306.272 2.640 50 0 DFAALO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2cccs2)[C@@H](C)CO1 ZINC000106048990 194182302 /nfs/dbraw/zinc/18/23/02/194182302.db2.gz QHXIYKHTJRFLAB-BFHYXJOUSA-N 1 2 308.447 2.521 50 0 DFAALO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2cccs2)[C@@H](C)CO1 ZINC000106048990 194182305 /nfs/dbraw/zinc/18/23/05/194182305.db2.gz QHXIYKHTJRFLAB-BFHYXJOUSA-N 1 2 308.447 2.521 50 0 DFAALO Cc1noc(C2CC[NH+]([C@@H](C)c3nc(C(C)(C)C)no3)CC2)n1 ZINC000054677873 183948508 /nfs/dbraw/zinc/94/85/08/183948508.db2.gz IJMWJYDCCATWCL-JTQLQIEISA-N 1 2 319.409 2.999 50 0 DFAALO CC(C)(C(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000057676824 184046108 /nfs/dbraw/zinc/04/61/08/184046108.db2.gz VZYMBBICNDEKRC-UHFFFAOYSA-N 1 2 323.440 2.704 50 0 DFAALO CCC[N@@H+](Cc1ccccc1)Cn1nnc2ccccc2c1=O ZINC000057395292 184036774 /nfs/dbraw/zinc/03/67/74/184036774.db2.gz UWIVRRNMRJGSQH-UHFFFAOYSA-N 1 2 308.385 2.661 50 0 DFAALO CCC[N@H+](Cc1ccccc1)Cn1nnc2ccccc2c1=O ZINC000057395292 184036776 /nfs/dbraw/zinc/03/67/76/184036776.db2.gz UWIVRRNMRJGSQH-UHFFFAOYSA-N 1 2 308.385 2.661 50 0 DFAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccccc2O)c1C ZINC000057557875 184041962 /nfs/dbraw/zinc/04/19/62/184041962.db2.gz MELVUISRCFOPAI-UHFFFAOYSA-N 1 2 300.358 2.685 50 0 DFAALO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000058208464 184088316 /nfs/dbraw/zinc/08/83/16/184088316.db2.gz XWOQGLOJYJRGNW-SFHVURJKSA-N 1 2 324.428 2.609 50 0 DFAALO CC(C)COCCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058210672 184088841 /nfs/dbraw/zinc/08/88/41/184088841.db2.gz NIXXMCXSPJBESS-UHFFFAOYSA-N 1 2 319.380 2.690 50 0 DFAALO C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058277828 184098570 /nfs/dbraw/zinc/09/85/70/184098570.db2.gz YDYPMDGSVRNOQN-GFCCVEGCSA-N 1 2 323.400 2.587 50 0 DFAALO O=C(NCc1ccoc1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058858899 184130415 /nfs/dbraw/zinc/13/04/15/184130415.db2.gz LUUYCZCPPVJGAG-INIZCTEOSA-N 1 2 316.426 2.686 50 0 DFAALO O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000058406919 184114482 /nfs/dbraw/zinc/11/44/82/184114482.db2.gz IHIHRJJWSGWNBM-QGZVFWFLSA-N 1 2 324.384 2.564 50 0 DFAALO CCCn1c(SCc2[nH+]ccn2C)nnc1-c1ccncc1 ZINC000059337770 184137117 /nfs/dbraw/zinc/13/71/17/184137117.db2.gz ZINVPVCKNMSUJV-UHFFFAOYSA-N 1 2 314.418 2.776 50 0 DFAALO OCCCc1[nH+]c2ccccc2n1C[C@H](O)c1ccc(F)cc1 ZINC000060042957 184143124 /nfs/dbraw/zinc/14/31/24/184143124.db2.gz FCJPPIOJAVQHNS-KRWDZBQOSA-N 1 2 314.360 2.834 50 0 DFAALO Cc1nc(-c2coc(C[NH+]3CCOCC3)c2)n(-c2ccccc2)n1 ZINC000065386163 184333134 /nfs/dbraw/zinc/33/31/34/184333134.db2.gz MPKJTDPTHGUZQE-UHFFFAOYSA-N 1 2 324.384 2.668 50 0 DFAALO Cc1cccn2c(CC(=O)N(C)[C@@H](C)c3nccs3)c[nH+]c12 ZINC000065375940 184331520 /nfs/dbraw/zinc/33/15/20/184331520.db2.gz YDIRLWVROLFOTI-LBPRGKRZSA-N 1 2 314.414 2.861 50 0 DFAALO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCCSCC3)c12 ZINC000065411546 184339772 /nfs/dbraw/zinc/33/97/72/184339772.db2.gz HDIHJEMPCYAVSQ-UHFFFAOYSA-N 1 2 311.414 2.759 50 0 DFAALO CCn1c[nH+]cc1CNc1ncc2c(n1)CCN2c1ccccc1 ZINC000065432995 184344156 /nfs/dbraw/zinc/34/41/56/184344156.db2.gz JIVSGWXBLFWFCJ-UHFFFAOYSA-N 1 2 320.400 2.999 50 0 DFAALO CCn1cc(C2CC[NH+](Cc3noc(C(C)(C)C)n3)CC2)cn1 ZINC000065458686 184348258 /nfs/dbraw/zinc/34/82/58/184348258.db2.gz JBLCEOCRLMGEBF-UHFFFAOYSA-N 1 2 317.437 2.963 50 0 DFAALO CCc1ncc(C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000065568863 184367525 /nfs/dbraw/zinc/36/75/25/184367525.db2.gz MQGPKEJXUQWQRK-UHFFFAOYSA-N 1 2 321.471 2.555 50 0 DFAALO CCc1ncc(C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000065568863 184367527 /nfs/dbraw/zinc/36/75/27/184367527.db2.gz MQGPKEJXUQWQRK-UHFFFAOYSA-N 1 2 321.471 2.555 50 0 DFAALO Cc1cc(C)n(CCCn2cc[nH+]c2-c2ccc(N(C)C)nc2)n1 ZINC000067650737 184476438 /nfs/dbraw/zinc/47/64/38/184476438.db2.gz ULQHFJKVAVDXBI-UHFFFAOYSA-N 1 2 324.432 2.915 50 0 DFAALO CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)OCC)CC1 ZINC000067472267 184468659 /nfs/dbraw/zinc/46/86/59/184468659.db2.gz HUQZJTQRNBULSU-MRXNPFEDSA-N 1 2 319.401 2.566 50 0 DFAALO CCc1onc(C)c1NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000270393251 208472078 /nfs/dbraw/zinc/47/20/78/208472078.db2.gz DBFXCPCOUHAJHB-UHFFFAOYSA-N 1 2 303.366 2.680 50 0 DFAALO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)c(C)c1 ZINC000012299671 542421032 /nfs/dbraw/zinc/42/10/32/542421032.db2.gz CKZFYHHBJSQQAR-AWEZNQCLSA-N 1 2 313.401 2.822 50 0 DFAALO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)c(C)c1 ZINC000012299671 542421035 /nfs/dbraw/zinc/42/10/35/542421035.db2.gz CKZFYHHBJSQQAR-AWEZNQCLSA-N 1 2 313.401 2.822 50 0 DFAALO Cc1[nH]c2ccc(CC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)cc2[nH+]1 ZINC000067723306 542458605 /nfs/dbraw/zinc/45/86/05/542458605.db2.gz LPMSMAREKRIVNH-CQSZACIVSA-N 1 2 323.400 2.543 50 0 DFAALO Cc1[nH]c2cc(CC(=O)N3CCC[C@@H](c4cc[nH]n4)C3)ccc2[nH+]1 ZINC000067723306 542458612 /nfs/dbraw/zinc/45/86/12/542458612.db2.gz LPMSMAREKRIVNH-CQSZACIVSA-N 1 2 323.400 2.543 50 0 DFAALO Cc1nc(N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc[nH+]1 ZINC000496270665 257235177 /nfs/dbraw/zinc/23/51/77/257235177.db2.gz CWPJFPAGQGLLLK-ZDUSSCGKSA-N 1 2 306.410 2.525 50 0 DFAALO CN(CCCc1[nH+]ccn1C)C(=O)c1cccc2cccnc21 ZINC000426584154 257246403 /nfs/dbraw/zinc/24/64/03/257246403.db2.gz WLNUETINQLUTOQ-UHFFFAOYSA-N 1 2 308.385 2.673 50 0 DFAALO CC(C)[C@H](Oc1ccccc1)C(=O)NCc1c[nH+]cn1C1CC1 ZINC000426550437 257247150 /nfs/dbraw/zinc/24/71/50/257247150.db2.gz MDFRRVSHRDAHOS-KRWDZBQOSA-N 1 2 313.401 2.938 50 0 DFAALO CCCN(CCOC)C(=O)c1ccc(-c2c[nH+]cn2C)cc1 ZINC000426445686 257250058 /nfs/dbraw/zinc/25/00/58/257250058.db2.gz VTVUEZJJONIBAL-UHFFFAOYSA-N 1 2 301.390 2.586 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000328618360 257264315 /nfs/dbraw/zinc/26/43/15/257264315.db2.gz DRFDRFLAYGEJMB-DTZQCDIJSA-N 1 2 323.437 2.735 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC000328618360 257264316 /nfs/dbraw/zinc/26/43/16/257264316.db2.gz DRFDRFLAYGEJMB-DTZQCDIJSA-N 1 2 323.437 2.735 50 0 DFAALO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCN1CCCC1=O ZINC000071897385 184893496 /nfs/dbraw/zinc/89/34/96/184893496.db2.gz INGVWRQLQBZBHW-CJNGLKHVSA-N 1 2 322.836 2.724 50 0 DFAALO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCN1CCCC1=O ZINC000071897385 184893497 /nfs/dbraw/zinc/89/34/97/184893497.db2.gz INGVWRQLQBZBHW-CJNGLKHVSA-N 1 2 322.836 2.724 50 0 DFAALO CCn1cc(C[N@@H+]2CCCN(Cc3ccsc3)CC2)cn1 ZINC000121648841 195324271 /nfs/dbraw/zinc/32/42/71/195324271.db2.gz CAVPSPWKKNSKOH-UHFFFAOYSA-N 1 2 304.463 2.672 50 0 DFAALO CCn1cc(C[N@H+]2CCCN(Cc3ccsc3)CC2)cn1 ZINC000121648841 195324273 /nfs/dbraw/zinc/32/42/73/195324273.db2.gz CAVPSPWKKNSKOH-UHFFFAOYSA-N 1 2 304.463 2.672 50 0 DFAALO c1cc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)ccn1 ZINC000057524685 285430755 /nfs/dbraw/zinc/43/07/55/285430755.db2.gz LMLRUCPHVSQHDK-UHFFFAOYSA-N 1 2 314.418 2.624 50 0 DFAALO O=C(Nc1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000000235805 134432582 /nfs/dbraw/zinc/43/25/82/134432582.db2.gz WVLRESJNSPOMBE-UHFFFAOYSA-N 1 2 300.337 2.575 50 0 DFAALO c1cc(OC2CCCC2)ccc1C[NH+]1CC(N2CCOCC2)C1 ZINC000215773203 542873335 /nfs/dbraw/zinc/87/33/35/542873335.db2.gz GGLCRAIMZIWKOQ-UHFFFAOYSA-N 1 2 316.445 2.524 50 0 DFAALO COC(=O)c1sccc1C[N@H+](Cc1cnn(C)c1)C(C)C ZINC000095410288 292042662 /nfs/dbraw/zinc/04/26/62/292042662.db2.gz WPMYWTCMYUJQGF-UHFFFAOYSA-N 1 2 307.419 2.679 50 0 DFAALO COC(=O)c1sccc1C[N@@H+](Cc1cnn(C)c1)C(C)C ZINC000095410288 292042663 /nfs/dbraw/zinc/04/26/63/292042663.db2.gz WPMYWTCMYUJQGF-UHFFFAOYSA-N 1 2 307.419 2.679 50 0 DFAALO O=c1[nH]nc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)[nH]1 ZINC000439318920 297123257 /nfs/dbraw/zinc/12/32/57/297123257.db2.gz BYGUVJQFVUUBOC-UHFFFAOYSA-N 1 2 310.760 2.625 50 0 DFAALO COc1ccnc(N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)n1 ZINC000053599776 425888175 /nfs/dbraw/zinc/88/81/75/425888175.db2.gz CJCPLWAAUPZGKQ-CQSZACIVSA-N 1 2 313.336 2.559 50 0 DFAALO O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)c1cc(O)cc(O)c1 ZINC000134082675 196359937 /nfs/dbraw/zinc/35/99/37/196359937.db2.gz WBYSHDIVFDTKAS-UHFFFAOYSA-N 1 2 309.325 2.595 50 0 DFAALO Cc1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)no1 ZINC000055028288 425891543 /nfs/dbraw/zinc/89/15/43/425891543.db2.gz DGPRKCGTBLJKJC-UHFFFAOYSA-N 1 2 320.437 2.579 50 0 DFAALO O=C1C[N@@H+](CC[C@@H]2CC2(F)F)CCN1Cc1ccc(F)cc1 ZINC000670437258 544040313 /nfs/dbraw/zinc/04/03/13/544040313.db2.gz PFHKRIHDSUVTQB-CYBMUJFWSA-N 1 2 312.335 2.515 50 0 DFAALO O=C1C[N@H+](CC[C@@H]2CC2(F)F)CCN1Cc1ccc(F)cc1 ZINC000670437258 544040315 /nfs/dbraw/zinc/04/03/15/544040315.db2.gz PFHKRIHDSUVTQB-CYBMUJFWSA-N 1 2 312.335 2.515 50 0 DFAALO Cc1nnc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)s1 ZINC000299778780 229429101 /nfs/dbraw/zinc/42/91/01/229429101.db2.gz PVMCIPHHRZNZCL-MRXNPFEDSA-N 1 2 317.458 2.662 50 0 DFAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@H]1c1ccccn1 ZINC000055517449 425894068 /nfs/dbraw/zinc/89/40/68/425894068.db2.gz MZUIRBWZUKBVGZ-INIZCTEOSA-N 1 2 319.368 2.640 50 0 DFAALO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1c1ccccn1 ZINC000055517450 425894084 /nfs/dbraw/zinc/89/40/84/425894084.db2.gz MZUIRBWZUKBVGZ-MRXNPFEDSA-N 1 2 319.368 2.640 50 0 DFAALO COc1ccc(C[N@H+](C)Cc2nc3cccnc3[nH]2)cc1OC ZINC000058305499 425897534 /nfs/dbraw/zinc/89/75/34/425897534.db2.gz REQWNMGYGVVMSK-UHFFFAOYSA-N 1 2 312.373 2.607 50 0 DFAALO COc1ccc(C[N@@H+](C)Cc2nc3cccnc3[nH]2)cc1OC ZINC000058305499 425897535 /nfs/dbraw/zinc/89/75/35/425897535.db2.gz REQWNMGYGVVMSK-UHFFFAOYSA-N 1 2 312.373 2.607 50 0 DFAALO Cc1nc([C@@H](c2cccc(C)c2)[NH+](C)C)n(-c2ccccn2)n1 ZINC000065375816 425902615 /nfs/dbraw/zinc/90/26/15/425902615.db2.gz UYJLMWNOSYRDMQ-QGZVFWFLSA-N 1 2 307.401 2.930 50 0 DFAALO COc1cc2c(cc1C[N@H+](C)Cc1snnc1C)CCC2 ZINC000067434044 425910459 /nfs/dbraw/zinc/91/04/59/425910459.db2.gz FODHTYGKNSSMHR-UHFFFAOYSA-N 1 2 303.431 2.976 50 0 DFAALO COc1cc2c(cc1C[N@@H+](C)Cc1snnc1C)CCC2 ZINC000067434044 425910460 /nfs/dbraw/zinc/91/04/60/425910460.db2.gz FODHTYGKNSSMHR-UHFFFAOYSA-N 1 2 303.431 2.976 50 0 DFAALO COc1ccc(Cn2cc[nH+]c2-c2ccccc2OCCO)cc1 ZINC000067772923 425912946 /nfs/dbraw/zinc/91/29/46/425912946.db2.gz CAQHZIHRIYSOEF-UHFFFAOYSA-N 1 2 324.380 2.978 50 0 DFAALO Cc1ccc(C[NH2+]C2(Cc3cc(CC(C)C)on3)COC2)o1 ZINC000067898221 425914473 /nfs/dbraw/zinc/91/44/73/425914473.db2.gz SXHHILOADFWSNI-UHFFFAOYSA-N 1 2 304.390 2.876 50 0 biogenic,in-vitro DFAALO Cc1nc(N2CCC(CO)(Cc3cccc(F)c3)CC2)cc[nH+]1 ZINC000067934051 425914827 /nfs/dbraw/zinc/91/48/27/425914827.db2.gz PJJMNGPGVCAQIG-UHFFFAOYSA-N 1 2 315.392 2.746 50 0 DFAALO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n1 ZINC000069376311 425937232 /nfs/dbraw/zinc/93/72/32/425937232.db2.gz FHJDPOGJIBPMOZ-CHWSQXEVSA-N 1 2 318.396 2.957 50 0 DFAALO Cc1ccc2[nH+]c(-c3ccc(S(=O)(=O)N(C)C)cc3)cn2c1 ZINC000000133079 425538594 /nfs/dbraw/zinc/53/85/94/425538594.db2.gz HTJMOFNXWGEQDA-UHFFFAOYSA-N 1 2 315.398 2.560 50 0 DFAALO CCCN(CCC)c1nc(N2CCCC2)nc(N2CCCC2)[nH+]1 ZINC000000620643 425570476 /nfs/dbraw/zinc/57/04/76/425570476.db2.gz JBBBGJNQUHLXMC-UHFFFAOYSA-N 1 2 318.469 2.698 50 0 DFAALO CCCN(CCC)c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000000620643 425570479 /nfs/dbraw/zinc/57/04/79/425570479.db2.gz JBBBGJNQUHLXMC-UHFFFAOYSA-N 1 2 318.469 2.698 50 0 DFAALO CCc1[nH+]c2ccccc2n1Cc1cc(=O)n2cc(C)ccc2n1 ZINC000002626762 425596632 /nfs/dbraw/zinc/59/66/32/425596632.db2.gz RCBIEOZPGBFQBI-UHFFFAOYSA-N 1 2 318.380 2.963 50 0 DFAALO O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1cccs1 ZINC000002941177 425606230 /nfs/dbraw/zinc/60/62/30/425606230.db2.gz UIYDTFPGWFNLBE-UHFFFAOYSA-N 1 2 315.398 2.775 50 0 aggregator DFAALO CCOc1ccc(NC(=S)N(C)Cc2[nH+]ccn2C)cc1 ZINC000007943208 425656624 /nfs/dbraw/zinc/65/66/24/425656624.db2.gz UIIFPSRKAIWRPQ-UHFFFAOYSA-N 1 2 304.419 2.648 50 0 DFAALO COc1ccc(Cl)cc1C[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000008005688 425657587 /nfs/dbraw/zinc/65/75/87/425657587.db2.gz BLOKZIMZBWZMJL-UHFFFAOYSA-N 1 2 323.780 2.716 50 0 DFAALO COc1ccc(Cl)cc1C[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000008005688 425657592 /nfs/dbraw/zinc/65/75/92/425657592.db2.gz BLOKZIMZBWZMJL-UHFFFAOYSA-N 1 2 323.780 2.716 50 0 DFAALO COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000008708297 425672401 /nfs/dbraw/zinc/67/24/01/425672401.db2.gz XDTPBWBDGGHXSU-NSHDSACASA-N 1 2 316.323 2.908 50 0 DFAALO COc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000008708297 425672403 /nfs/dbraw/zinc/67/24/03/425672403.db2.gz XDTPBWBDGGHXSU-NSHDSACASA-N 1 2 316.323 2.908 50 0 DFAALO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccccn1 ZINC000008746895 425675560 /nfs/dbraw/zinc/67/55/60/425675560.db2.gz ZTBSOOUJHHYCSN-UHFFFAOYSA-N 1 2 319.792 2.814 50 0 DFAALO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccccn1 ZINC000008746895 425675562 /nfs/dbraw/zinc/67/55/62/425675562.db2.gz ZTBSOOUJHHYCSN-UHFFFAOYSA-N 1 2 319.792 2.814 50 0 DFAALO O=C(c1cc(Cl)ccc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000008772265 425675884 /nfs/dbraw/zinc/67/58/84/425675884.db2.gz VVSWYFYNHMPQKH-UHFFFAOYSA-N 1 2 319.767 2.837 50 0 DFAALO CC(=O)c1cnn(-c2cc(N3CCCC[C@H]3C)[nH+]c(C)n2)c1C ZINC000005427130 425622874 /nfs/dbraw/zinc/62/28/74/425622874.db2.gz ZGIQVBZDHONTLL-LLVKDONJSA-N 1 2 313.405 2.861 50 0 DFAALO COc1cccc(NC(=O)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000006742512 425630067 /nfs/dbraw/zinc/63/00/67/425630067.db2.gz UJNZQVFAHKRAJA-UHFFFAOYSA-N 1 2 315.373 2.638 50 0 DFAALO Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000006975935 425633087 /nfs/dbraw/zinc/63/30/87/425633087.db2.gz OKGHYRWAOCOIPA-UHFFFAOYSA-N 1 2 320.824 2.761 50 0 DFAALO Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000006975935 425633090 /nfs/dbraw/zinc/63/30/90/425633090.db2.gz OKGHYRWAOCOIPA-UHFFFAOYSA-N 1 2 320.824 2.761 50 0 DFAALO CN(Cc1nc2ccccc2s1)c1[nH+]cnc2c1cnn2C ZINC000012754752 425737523 /nfs/dbraw/zinc/73/75/23/425737523.db2.gz SHUMKQHDIVRBCM-UHFFFAOYSA-N 1 2 310.386 2.609 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)c1c(F)cccc1Cl ZINC000012836895 425739038 /nfs/dbraw/zinc/73/90/38/425739038.db2.gz CDIXLAJPXMEAJU-UHFFFAOYSA-N 1 2 307.756 2.870 50 0 DFAALO COc1ccc([C@@H](NC(=O)c2ccccc2)c2[nH+]ccn2C)cc1 ZINC000009115525 425682548 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ZINC000069699520 190805471 /nfs/dbraw/zinc/80/54/71/190805471.db2.gz UHFJDJAGXANONC-UHFFFAOYSA-N 1 2 322.405 2.784 50 0 DFAALO CCO[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000069707606 190807401 /nfs/dbraw/zinc/80/74/01/190807401.db2.gz BXROTFOUNUAWKO-DLBZAZTESA-N 1 2 313.401 2.824 50 0 DFAALO O=C(C1=Cc2ccccc2OC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069659471 398579739 /nfs/dbraw/zinc/57/97/39/398579739.db2.gz ZRUDCLXYAGWRQC-INIZCTEOSA-N 1 2 309.369 2.523 50 0 DFAALO Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2nc(C3CC3)no2)n1 ZINC000070006096 398590990 /nfs/dbraw/zinc/59/09/90/398590990.db2.gz ZCQOBOISZVPGLL-HNNXBMFYSA-N 1 2 315.421 2.815 50 0 DFAALO Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2nc(C3CC3)no2)n1 ZINC000070006096 398590994 /nfs/dbraw/zinc/59/09/94/398590994.db2.gz ZCQOBOISZVPGLL-HNNXBMFYSA-N 1 2 315.421 2.815 50 0 DFAALO C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H](c2ccccc2)O1 ZINC000072273699 398613919 /nfs/dbraw/zinc/61/39/19/398613919.db2.gz HYMDFQXMVHMAHQ-RDJZCZTQSA-N 1 2 313.401 2.652 50 0 DFAALO COC(=O)c1cc(-c2[nH+]ccn2-c2cccc(CO)c2)ccc1O ZINC000072147131 191053537 /nfs/dbraw/zinc/05/35/37/191053537.db2.gz WZLSGWZFPVQCAT-UHFFFAOYSA-N 1 2 324.336 2.524 50 0 DFAALO Cc1ccc[nH+]c1N1CCN(Cc2nc3ccccc3n2C)CC1 ZINC000072156089 191059103 /nfs/dbraw/zinc/05/91/03/191059103.db2.gz WNGYHHQXULKVQT-UHFFFAOYSA-N 1 2 321.428 2.599 50 0 DFAALO Cc1ccccc1CN1CC[NH+](Cc2cccc3nonc32)CC1 ZINC000072164830 191064949 /nfs/dbraw/zinc/06/49/49/191064949.db2.gz NWXGZPIJGYCYPI-UHFFFAOYSA-N 1 2 322.412 2.849 50 0 DFAALO Cc1cc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)c(C)n1C(C)C ZINC000072278566 191100564 /nfs/dbraw/zinc/10/05/64/191100564.db2.gz SPSGEXHCGDGJLV-AWEZNQCLSA-N 1 2 300.406 2.627 50 0 DFAALO Cc1ccc([C@H]2C[N@H+](Cc3cnc4cnccn34)CCO2)c(C)c1 ZINC000093595198 398642516 /nfs/dbraw/zinc/64/25/16/398642516.db2.gz ZYRFAYVYAUJWLR-GOSISDBHSA-N 1 2 322.412 2.920 50 0 DFAALO Cc1ccc([C@H]2C[N@@H+](Cc3cnc4cnccn34)CCO2)c(C)c1 ZINC000093595198 398642519 /nfs/dbraw/zinc/64/25/19/398642519.db2.gz 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/nfs/dbraw/zinc/66/22/27/398662227.db2.gz LIYLMSGWDQIYBB-UHFFFAOYSA-N 1 2 319.430 2.954 50 0 DFAALO Cc1ccc2c(CC(=O)N[C@H]3CCc4[nH+]ccn4C3)coc2c1 ZINC000097197581 398665094 /nfs/dbraw/zinc/66/50/94/398665094.db2.gz ZNKJZXLTODFTAZ-AWEZNQCLSA-N 1 2 309.369 2.611 50 0 DFAALO CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1O ZINC000072436606 191165855 /nfs/dbraw/zinc/16/58/55/191165855.db2.gz GNYKKICNCGRSDN-ZIAGYGMSSA-N 1 2 321.314 2.552 50 0 DFAALO CC[C@@]1(O)CC[N@@H+](Cc2ccc(F)c(C(F)(F)F)c2)C[C@H]1O ZINC000072436606 191165857 /nfs/dbraw/zinc/16/58/57/191165857.db2.gz GNYKKICNCGRSDN-ZIAGYGMSSA-N 1 2 321.314 2.552 50 0 DFAALO CC(C)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072915168 191252260 /nfs/dbraw/zinc/25/22/60/191252260.db2.gz GWJXBLFKFNRIDP-CQSZACIVSA-N 1 2 306.431 2.891 50 0 DFAALO CCOc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1Cl ZINC000004970416 181181220 /nfs/dbraw/zinc/18/12/20/181181220.db2.gz SHKUCYRCSYYHAS-UHFFFAOYSA-N 1 2 312.778 2.935 50 0 DFAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000005067442 181199946 /nfs/dbraw/zinc/19/99/46/181199946.db2.gz OLHRNAPNWNZCJC-ROUUACIJSA-N 1 2 322.408 2.684 50 0 DFAALO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000005067442 181199948 /nfs/dbraw/zinc/19/99/48/181199948.db2.gz OLHRNAPNWNZCJC-ROUUACIJSA-N 1 2 322.408 2.684 50 0 DFAALO COc1ccccc1CNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000005627885 181265127 /nfs/dbraw/zinc/26/51/27/181265127.db2.gz PPNXGAOCBZVLHX-UHFFFAOYSA-N 1 2 309.369 2.670 50 0 DFAALO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000120403658 398781442 /nfs/dbraw/zinc/78/14/42/398781442.db2.gz QHSPNGZYRZTQEG-CYBMUJFWSA-N 1 2 312.421 2.672 50 0 DFAALO COCc1noc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000180189925 199128254 /nfs/dbraw/zinc/12/82/54/199128254.db2.gz BYRSSYVGBDXBEU-ZDUSSCGKSA-N 1 2 323.780 2.523 50 0 DFAALO COCc1noc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000180189925 199128257 /nfs/dbraw/zinc/12/82/57/199128257.db2.gz 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ZINC000019838843 182155533 /nfs/dbraw/zinc/15/55/33/182155533.db2.gz ICOWEILLNYZTJW-UHFFFAOYSA-N 1 2 306.369 2.714 50 0 DFAALO COc1cccc2c(C)cc(SCC[NH+]3CCOCC3)nc12 ZINC000019820843 182154263 /nfs/dbraw/zinc/15/42/63/182154263.db2.gz QEKNETSPRWZOCP-UHFFFAOYSA-N 1 2 318.442 2.976 50 0 DFAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000019831824 182155050 /nfs/dbraw/zinc/15/50/50/182155050.db2.gz KXVUIKPPZQFJJB-UHFFFAOYSA-N 1 2 310.397 2.653 50 0 DFAALO C[NH+]1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 ZINC000020355769 182210989 /nfs/dbraw/zinc/21/09/89/182210989.db2.gz ZFUFXODPMRRNOL-UHFFFAOYSA-N 1 2 314.410 2.695 50 0 DFAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000020661914 182241738 /nfs/dbraw/zinc/24/17/38/182241738.db2.gz MTOJMNMRKVIATD-CYBMUJFWSA-N 1 2 313.336 2.546 50 0 DFAALO Fc1ccc(-n2ncc3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000020661912 182242416 /nfs/dbraw/zinc/24/24/16/182242416.db2.gz MTOJMNMRKVIATD-ZDUSSCGKSA-N 1 2 313.336 2.546 50 0 DFAALO 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315.373 2.767 50 0 DFAALO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C)on2)c1 ZINC000010226696 425700265 /nfs/dbraw/zinc/70/02/65/425700265.db2.gz VPGJNUDTIWNTST-OAHLLOKOSA-N 1 2 315.373 2.767 50 0 DFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC[C@@H](C)O)cc1Cl ZINC000010386343 425701140 /nfs/dbraw/zinc/70/11/40/425701140.db2.gz NFAAVAMQQWLMPO-SNVBAGLBSA-N 1 2 317.780 2.570 50 0 DFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(N(C)C)cc1 ZINC000010737226 425705512 /nfs/dbraw/zinc/70/55/12/425705512.db2.gz PUQMZFKKXFZTHX-UHFFFAOYSA-N 1 2 322.412 2.841 50 0 DFAALO Cn1ncc2c1nc[nH+]c2SCC(=O)c1c[nH]c2ccccc21 ZINC000011678006 425710097 /nfs/dbraw/zinc/71/00/97/425710097.db2.gz FDBKCCUXBQCJEH-UHFFFAOYSA-N 1 2 323.381 2.820 50 0 DFAALO CCn1cc[nH+]c1CN1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000011935358 425715709 /nfs/dbraw/zinc/71/57/09/425715709.db2.gz ISOFWWNRIDMZOC-OAHLLOKOSA-N 1 2 319.836 3.000 50 0 DFAALO Cc1ccoc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000012530002 425729320 /nfs/dbraw/zinc/72/93/20/425729320.db2.gz 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/nfs/dbraw/zinc/76/00/71/425760071.db2.gz IYKDEJCPQHKBMZ-UHFFFAOYSA-N 1 2 319.405 2.645 50 0 DFAALO C[C@H]1C[NH+](CCNC(=O)Nc2cccc(Cl)c2)C[C@H](C)O1 ZINC000026224985 425810494 /nfs/dbraw/zinc/81/04/94/425810494.db2.gz VJFQBMGBSFBKME-RYUDHWBXSA-N 1 2 311.813 2.571 50 0 DFAALO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cnccn3)CC2)cc1 ZINC000014111511 425765773 /nfs/dbraw/zinc/76/57/73/425765773.db2.gz WYHIXWTYVQTAIG-UHFFFAOYSA-N 1 2 324.428 2.558 50 0 DFAALO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccccc1F ZINC000044866791 425858066 /nfs/dbraw/zinc/85/80/66/425858066.db2.gz BSCFCGXSIRURNG-ZDUSSCGKSA-N 1 2 300.333 2.924 50 0 DFAALO CCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000027582823 425817359 /nfs/dbraw/zinc/81/73/59/425817359.db2.gz UQWQKIUIEBZOLW-KRWDZBQOSA-N 1 2 304.434 2.675 50 0 DFAALO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000028290952 425821588 /nfs/dbraw/zinc/82/15/88/425821588.db2.gz PZGBXOXTPKFJQF-LJQANCHMSA-N 1 2 324.424 2.798 50 0 DFAALO Cn1cc(C[N@H+](C)Cc2cc(-c3ccc(F)cc3)no2)cn1 ZINC000029704183 425827596 /nfs/dbraw/zinc/82/75/96/425827596.db2.gz BRUGUZORFWLNIT-UHFFFAOYSA-N 1 2 300.337 2.846 50 0 DFAALO Cn1cc(C[N@@H+](C)Cc2cc(-c3ccc(F)cc3)no2)cn1 ZINC000029704183 425827599 /nfs/dbraw/zinc/82/75/99/425827599.db2.gz BRUGUZORFWLNIT-UHFFFAOYSA-N 1 2 300.337 2.846 50 0 DFAALO O=c1cc(C[N@@H+](Cc2ccccc2F)C2CC2)nc2ccccn12 ZINC000032759774 425839511 /nfs/dbraw/zinc/83/95/11/425839511.db2.gz SDICREZGKKHKBD-UHFFFAOYSA-N 1 2 323.371 2.998 50 0 DFAALO O=c1cc(C[N@H+](Cc2ccccc2F)C2CC2)nc2ccccn12 ZINC000032759774 425839512 /nfs/dbraw/zinc/83/95/12/425839512.db2.gz SDICREZGKKHKBD-UHFFFAOYSA-N 1 2 323.371 2.998 50 0 DFAALO O=C1N[C@H](c2ccc(-n3cc[nH+]c3)c(F)c2)Nc2ccccc21 ZINC000032769255 425839781 /nfs/dbraw/zinc/83/97/81/425839781.db2.gz FAIKXIAMJPCYCD-MRXNPFEDSA-N 1 2 308.316 2.866 50 0 DFAALO CCCNC(=O)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071440 425841468 /nfs/dbraw/zinc/84/14/68/425841468.db2.gz BJVGFBUUTGIBCQ-LLVKDONJSA-N 1 2 320.824 2.959 50 0 DFAALO O=C(/C=C\c1ccco1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000033293367 425841756 /nfs/dbraw/zinc/84/17/56/425841756.db2.gz HOYXHJRCHSHBBP-FPLPWBNLSA-N 1 2 312.369 2.764 50 0 DFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000035153372 425843281 /nfs/dbraw/zinc/84/32/81/425843281.db2.gz WLLDNSGACJHEHK-UHFFFAOYSA-N 1 2 322.474 2.670 50 0 DFAALO Nc1nc(N2CCN(c3ccccc3F)CC2)[nH+]c2ccccc12 ZINC000041146425 425851541 /nfs/dbraw/zinc/85/15/41/425851541.db2.gz DDUVNXNRGGVYJM-UHFFFAOYSA-N 1 2 323.375 2.678 50 0 DFAALO C[C@H]1CCCN(c2nc(N3CCOCC3)c3ccccc3[nH+]2)C1 ZINC000041148947 425851672 /nfs/dbraw/zinc/85/16/72/425851672.db2.gz BAFLSBVRDDQIQB-AWEZNQCLSA-N 1 2 312.417 2.703 50 0 DFAALO Cc1ccc(CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C2CC2)o1 ZINC000047028069 425867700 /nfs/dbraw/zinc/86/77/00/425867700.db2.gz KVDQUYIXBBCXRG-LBPRGKRZSA-N 1 2 302.378 2.547 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1sccc1Br ZINC000048128796 425873326 /nfs/dbraw/zinc/87/33/26/425873326.db2.gz VFAUCPFECCFGTG-MRVPVSSYSA-N 1 2 314.208 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FCCn1ncnc1C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000253426062 427208590 /nfs/dbraw/zinc/20/85/90/427208590.db2.gz FNLZAACWPRIFAG-ROJDOSBLSA-N 1 2 300.381 2.925 50 0 DFAALO FCCn1ncnc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000253426062 427208597 /nfs/dbraw/zinc/20/85/97/427208597.db2.gz FNLZAACWPRIFAG-ROJDOSBLSA-N 1 2 300.381 2.925 50 0 DFAALO Cc1cc(C(=O)N2CCCn3cc[nH+]c3[C@@H]2C2CCCC2)[nH]n1 ZINC000257197151 427308540 /nfs/dbraw/zinc/30/85/40/427308540.db2.gz ZNSVIRSZDDSNKW-HNNXBMFYSA-N 1 2 313.405 2.692 50 0 DFAALO CCc1noc([C@H](C)[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2OC)n1 ZINC000257365335 427336397 /nfs/dbraw/zinc/33/63/97/427336397.db2.gz MIRIFWWWMMWYAY-RYUDHWBXSA-N 1 2 319.409 2.581 50 0 DFAALO CCc1noc([C@H](C)[N@H+]2CCC[C@H]2c2c(C)nn(C)c2OC)n1 ZINC000257365335 427336402 /nfs/dbraw/zinc/33/64/02/427336402.db2.gz MIRIFWWWMMWYAY-RYUDHWBXSA-N 1 2 319.409 2.581 50 0 DFAALO COc1ncccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343702496 272204456 /nfs/dbraw/zinc/20/44/56/272204456.db2.gz FGLVIXSEVWOACJ-JKSUJKDBSA-N 1 2 302.349 2.537 50 0 DFAALO COc1ncccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000343702496 272204458 /nfs/dbraw/zinc/20/44/58/272204458.db2.gz FGLVIXSEVWOACJ-JKSUJKDBSA-N 1 2 302.349 2.537 50 0 DFAALO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C(=O)OC(C)(C)C)CC2)n1 ZINC000279500479 427687629 /nfs/dbraw/zinc/68/76/29/427687629.db2.gz PHLNVCUVIMTWEV-GFCCVEGCSA-N 1 2 321.421 2.605 50 0 DFAALO Cc1cc(C)n(CC[N@H+]2CCC[C@H]2c2nc(C(C)C)no2)n1 ZINC000299785220 427769183 /nfs/dbraw/zinc/76/91/83/427769183.db2.gz JWAGRZSRVIRNID-AWEZNQCLSA-N 1 2 303.410 2.843 50 0 DFAALO Cc1cc(C)n(CC[N@@H+]2CCC[C@H]2c2nc(C(C)C)no2)n1 ZINC000299785220 427769185 /nfs/dbraw/zinc/76/91/85/427769185.db2.gz JWAGRZSRVIRNID-AWEZNQCLSA-N 1 2 303.410 2.843 50 0 DFAALO CC(C)Oc1cccc(NC(=O)NCCCc2[nH]cc[nH+]2)c1 ZINC000299777320 427769291 /nfs/dbraw/zinc/76/92/91/427769291.db2.gz OBBNFBVZURCHRB-UHFFFAOYSA-N 1 2 302.378 2.951 50 0 DFAALO Cc1nnc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)s1 ZINC000299778774 427769758 /nfs/dbraw/zinc/76/97/58/427769758.db2.gz PVMCIPHHRZNZCL-INIZCTEOSA-N 1 2 317.458 2.662 50 0 DFAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(OC(F)F)c1)C1CC1 ZINC000299793618 427770468 /nfs/dbraw/zinc/77/04/68/427770468.db2.gz HJWHSCMPYQLCCN-CYBMUJFWSA-N 1 2 321.327 2.903 50 0 DFAALO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ncc(C2CC2)o1 ZINC000345787811 427905481 /nfs/dbraw/zinc/90/54/81/427905481.db2.gz MGOFJOCORTYHPZ-RRFJBIMHSA-N 1 2 306.406 2.568 50 0 DFAALO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ncc(C2CC2)o1 ZINC000345787811 427905488 /nfs/dbraw/zinc/90/54/88/427905488.db2.gz MGOFJOCORTYHPZ-RRFJBIMHSA-N 1 2 306.406 2.568 50 0 DFAALO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000346357239 428140090 /nfs/dbraw/zinc/14/00/90/428140090.db2.gz JGHUPFWKMANXFE-STQMWFEESA-N 1 2 310.756 2.900 50 0 DFAALO OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000346357239 428140095 /nfs/dbraw/zinc/14/00/95/428140095.db2.gz JGHUPFWKMANXFE-STQMWFEESA-N 1 2 310.756 2.900 50 0 DFAALO Brc1ccccc1[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000092592328 275375417 /nfs/dbraw/zinc/37/54/17/275375417.db2.gz XSVHRMRYWQWPIC-CQSZACIVSA-N 1 2 322.206 2.746 50 0 DFAALO Brc1ccccc1[C@H]1CN(Cc2c[nH]c[nH+]2)CCO1 ZINC000092592328 275375418 /nfs/dbraw/zinc/37/54/18/275375418.db2.gz XSVHRMRYWQWPIC-CQSZACIVSA-N 1 2 322.206 2.746 50 0 DFAALO O=C(NCCCn1cc[nH+]c1)[C@H](Cc1ccccc1)n1cccc1 ZINC000575443595 430084466 /nfs/dbraw/zinc/08/44/66/430084466.db2.gz XAQWPKIHEFWJLL-SFHVURJKSA-N 1 2 322.412 2.675 50 0 DFAALO CC(C)c1ccccc1OC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC000012383097 278060608 /nfs/dbraw/zinc/06/06/08/278060608.db2.gz ZWLMMZHESRPPKN-UHFFFAOYSA-N 1 2 304.434 2.741 50 0 DFAALO Cn1cc[nH+]c1CN(Cc1cc2c(cc1Cl)OCO2)C1CC1 ZINC000065455114 302987789 /nfs/dbraw/zinc/98/77/89/302987789.db2.gz TVZGADVSOMCVOL-UHFFFAOYSA-N 1 2 319.792 2.967 50 0 DFAALO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ncnn3C)oc21 ZINC000097230994 323209091 /nfs/dbraw/zinc/20/90/91/323209091.db2.gz SRPSITKSCJKUPL-LLVKDONJSA-N 1 2 300.362 2.811 50 0 DFAALO O=C(CC[NH+]1CCOCC1)c1ccc(N2CCCCC2)cc1 ZINC000025559186 331602249 /nfs/dbraw/zinc/60/22/49/331602249.db2.gz UZLRRSOIHDFRBI-UHFFFAOYSA-N 1 2 302.418 2.582 50 0 DFAALO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034668679 500609802 /nfs/dbraw/zinc/60/98/02/500609802.db2.gz SUTITODFWOBNFY-AWEZNQCLSA-N 1 2 323.868 2.623 50 0 DFAALO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCc3cnccc31)C2 ZINC000299751892 528322703 /nfs/dbraw/zinc/32/27/03/528322703.db2.gz SFQYICMGAOCKEA-LBPRGKRZSA-N 1 2 310.401 2.622 50 0 DFAALO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCc3cnccc31)CC2 ZINC000299751892 528322706 /nfs/dbraw/zinc/32/27/06/528322706.db2.gz SFQYICMGAOCKEA-LBPRGKRZSA-N 1 2 310.401 2.622 50 0 DFAALO c1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)n(CC2CC2)n1 ZINC000685940197 546412041 /nfs/dbraw/zinc/41/20/41/546412041.db2.gz VLQUZNSFLVDPFS-UHFFFAOYSA-N 1 2 308.389 2.545 50 0 DFAALO O=C1NCCC2(C[NH+](C(c3ccccc3)c3ccccc3)C2)O1 ZINC000685945596 546412289 /nfs/dbraw/zinc/41/22/89/546412289.db2.gz PIHWTSQDXQYGFO-UHFFFAOYSA-N 1 2 308.381 2.960 50 0 DFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000095508430 185375973 /nfs/dbraw/zinc/37/59/73/185375973.db2.gz AARVXDUGERGLMX-LLVKDONJSA-N 1 2 314.414 2.983 50 0 DFAALO C[C@@H](O)c1cccc(N2CCN(c3ccc(Cl)cn3)CC2)[nH+]1 ZINC000095520154 185376988 /nfs/dbraw/zinc/37/69/88/185376988.db2.gz NVNJEJBURMEFFT-GFCCVEGCSA-N 1 2 318.808 2.510 50 0 DFAALO Cn1cc(CCCC(=O)NCCc2c[nH+]c[nH]2)c2ccccc21 ZINC000079191031 185161267 /nfs/dbraw/zinc/16/12/67/185161267.db2.gz UHTHUTDWIWDIKU-UHFFFAOYSA-N 1 2 310.401 2.583 50 0 DFAALO Cn1cc(CCCC(=O)NCCc2c[nH]c[nH+]2)c2ccccc21 ZINC000079191031 185161268 /nfs/dbraw/zinc/16/12/68/185161268.db2.gz UHTHUTDWIWDIKU-UHFFFAOYSA-N 1 2 310.401 2.583 50 0 DFAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1 ZINC000328586323 231231070 /nfs/dbraw/zinc/23/10/70/231231070.db2.gz ZAUBTCIXXACLRT-OLZOCXBDSA-N 1 2 311.376 2.952 50 0 DFAALO C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CCc3[nH+]ccn3C2)[C@@H]1C ZINC000229276394 398354917 /nfs/dbraw/zinc/35/49/17/398354917.db2.gz JQDPNCJNOJTHKC-AGIUHOORSA-N 1 2 311.385 2.512 50 0 DFAALO Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000229295492 398355250 /nfs/dbraw/zinc/35/52/50/398355250.db2.gz GUZUZZPIEDZLJD-BXKDBHETSA-N 1 2 303.366 2.579 50 0 DFAALO Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 ZINC000229295492 398355253 /nfs/dbraw/zinc/35/52/53/398355253.db2.gz GUZUZZPIEDZLJD-BXKDBHETSA-N 1 2 303.366 2.579 50 0 DFAALO CC(C)c1cc(NC[C@@](C)(O)c2cnn(C)c2)nc(C(C)C)[nH+]1 ZINC000090094884 185281742 /nfs/dbraw/zinc/28/17/42/185281742.db2.gz ZTHDUCIWJZMLIY-QGZVFWFLSA-N 1 2 317.437 2.777 50 0 DFAALO NC(=O)c1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000090179622 185285234 /nfs/dbraw/zinc/28/52/34/185285234.db2.gz AHTHKXVYTXCIQQ-CYBMUJFWSA-N 1 2 304.321 2.521 50 0 DFAALO COc1nc(C)cc(C)c1CNC(=O)c1ccc2[nH+]c(C)cn2c1 ZINC000082120610 192357864 /nfs/dbraw/zinc/35/78/64/192357864.db2.gz RLLWRYLENRASTI-UHFFFAOYSA-N 1 2 324.384 2.593 50 0 DFAALO CCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000095393597 185352102 /nfs/dbraw/zinc/35/21/02/185352102.db2.gz CTHANJDNGMQQOD-MRXNPFEDSA-N 1 2 300.406 2.952 50 0 DFAALO CCn1c(C)nnc1C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000095393597 185352103 /nfs/dbraw/zinc/35/21/03/185352103.db2.gz CTHANJDNGMQQOD-MRXNPFEDSA-N 1 2 300.406 2.952 50 0 DFAALO Cn1c(C[N@H+](C)CCc2nccs2)nnc1-c1ccccc1 ZINC000095435437 185364505 /nfs/dbraw/zinc/36/45/05/185364505.db2.gz ZQIBGXORRSJUGB-UHFFFAOYSA-N 1 2 313.430 2.613 50 0 DFAALO Cn1c(C[N@@H+](C)CCc2nccs2)nnc1-c1ccccc1 ZINC000095435437 185364506 /nfs/dbraw/zinc/36/45/06/185364506.db2.gz ZQIBGXORRSJUGB-UHFFFAOYSA-N 1 2 313.430 2.613 50 0 DFAALO O=C(Nc1cccc(F)c1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000095435483 185364585 /nfs/dbraw/zinc/36/45/85/185364585.db2.gz WDUWHZAAOJPFIO-LLVKDONJSA-N 1 2 318.327 2.760 50 0 DFAALO CSC[C@H](C)C(=O)NCc1ccc[nH+]c1N1CCCCC1 ZINC000066829793 398401777 /nfs/dbraw/zinc/40/17/77/398401777.db2.gz CRSPSSTTYASHSB-ZDUSSCGKSA-N 1 2 307.463 2.687 50 0 DFAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449220 185368352 /nfs/dbraw/zinc/36/83/52/185368352.db2.gz TXNZMHLCFBZKNL-CABCVRRESA-N 1 2 306.312 2.733 50 0 DFAALO C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449220 185368353 /nfs/dbraw/zinc/36/83/53/185368353.db2.gz TXNZMHLCFBZKNL-CABCVRRESA-N 1 2 306.312 2.733 50 0 DFAALO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)C1(C)C ZINC000248191573 398405233 /nfs/dbraw/zinc/40/52/33/398405233.db2.gz LOOKUSHLMQLVHT-LZWOXQAQSA-N 1 2 301.434 2.861 50 0 DFAALO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccn1Cc1cccs1 ZINC000097032651 185399552 /nfs/dbraw/zinc/39/95/52/185399552.db2.gz YIZVNXUUIXGFOL-INIZCTEOSA-N 1 2 317.458 2.698 50 0 DFAALO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccn1Cc1cccs1 ZINC000097032651 185399553 /nfs/dbraw/zinc/39/95/53/185399553.db2.gz YIZVNXUUIXGFOL-INIZCTEOSA-N 1 2 317.458 2.698 50 0 DFAALO Fc1ccc([C@H]2c3[nH]c[nH+]c3CCN2Cc2csnn2)cc1 ZINC000585136685 398435168 /nfs/dbraw/zinc/43/51/68/398435168.db2.gz PMADCMDFJQRMBP-HNNXBMFYSA-N 1 2 315.377 2.548 50 0 DFAALO CC(C)(C)[C@H]([NH2+]Cc1n[nH]c(=O)s1)c1ccc(F)cc1F ZINC000284157729 398465861 /nfs/dbraw/zinc/46/58/61/398465861.db2.gz PYJZVFDMFUTQPN-GFCCVEGCSA-N 1 2 313.373 2.987 50 0 DFAALO CCCSc1ncc(-c2nccn2CCc2c[nH]c[nH+]2)cn1 ZINC000067982701 190741628 /nfs/dbraw/zinc/74/16/28/190741628.db2.gz MSMLGYBPFNARJH-UHFFFAOYSA-N 1 2 314.418 2.808 50 0 DFAALO C[C@]12CN(C3CCCCC3)C(=O)[C@@]1([NH3+])Nc1ccc(Cl)cc12 ZINC000032106076 398526019 /nfs/dbraw/zinc/52/60/19/398526019.db2.gz WBTGBYRIUAYZFB-IAGOWNOFSA-N 1 2 319.836 2.853 50 0 DFAALO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@H]1Oc1ccccc1 ZINC000069774962 190815787 /nfs/dbraw/zinc/81/57/87/190815787.db2.gz VBJWDSFAGIOLSM-HUUCEWRRSA-N 1 2 309.373 2.775 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCCOc2ccccc2)C1 ZINC000328634266 398568458 /nfs/dbraw/zinc/56/84/58/398568458.db2.gz TXRKLCXVLKEFKQ-HZPDHXFCSA-N 1 2 317.389 2.609 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCCOc2ccccc2)C1 ZINC000328634266 398568463 /nfs/dbraw/zinc/56/84/63/398568463.db2.gz TXRKLCXVLKEFKQ-HZPDHXFCSA-N 1 2 317.389 2.609 50 0 DFAALO CC(C)(C)c1cnc(C[N@@H+]2CCCC[C@H]2Cn2cncn2)o1 ZINC000069493250 398573194 /nfs/dbraw/zinc/57/31/94/398573194.db2.gz FUMONLHKRJJTSG-ZDUSSCGKSA-N 1 2 303.410 2.618 50 0 DFAALO CC(C)(C)c1cnc(C[N@H+]2CCCC[C@H]2Cn2cncn2)o1 ZINC000069493250 398573200 /nfs/dbraw/zinc/57/32/00/398573200.db2.gz FUMONLHKRJJTSG-ZDUSSCGKSA-N 1 2 303.410 2.618 50 0 DFAALO O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069659474 398579478 /nfs/dbraw/zinc/57/94/78/398579478.db2.gz ZRUDCLXYAGWRQC-MRXNPFEDSA-N 1 2 309.369 2.523 50 0 DFAALO C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000072117878 191038637 /nfs/dbraw/zinc/03/86/37/191038637.db2.gz ZUSWXIGUHWCXGX-HNNXBMFYSA-N 1 2 321.380 2.956 50 0 DFAALO COC(=O)c1sc(NC(=O)c2ccc3[nH+]ccn3c2)cc1C ZINC000072291288 398614735 /nfs/dbraw/zinc/61/47/35/398614735.db2.gz AMOJZTMVRMSGGQ-UHFFFAOYSA-N 1 2 315.354 2.743 50 0 DFAALO Cc1cc(NCCc2[nH+]c3ccccc3n2C)n2nccc2n1 ZINC000072166985 191066632 /nfs/dbraw/zinc/06/66/32/191066632.db2.gz RJVCADNTZNROGO-UHFFFAOYSA-N 1 2 306.373 2.579 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072253610 191087432 /nfs/dbraw/zinc/08/74/32/191087432.db2.gz OQGCYVDFPUWCFD-CYBMUJFWSA-N 1 2 324.856 2.531 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072253610 191087434 /nfs/dbraw/zinc/08/74/34/191087434.db2.gz OQGCYVDFPUWCFD-CYBMUJFWSA-N 1 2 324.856 2.531 50 0 DFAALO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@@H]3CO)nc[nH+]2)c(C)o1 ZINC000072276200 191098206 /nfs/dbraw/zinc/09/82/06/191098206.db2.gz GFCGXPVYUOCMOS-TZMCWYRMSA-N 1 2 316.405 2.821 50 0 DFAALO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@@H]3CO)[nH+]cn2)c(C)o1 ZINC000072276200 191098209 /nfs/dbraw/zinc/09/82/09/191098209.db2.gz GFCGXPVYUOCMOS-TZMCWYRMSA-N 1 2 316.405 2.821 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1cc(C)n(C3CC3)c1C)C2 ZINC000072279151 191099362 /nfs/dbraw/zinc/09/93/62/191099362.db2.gz QWGJSDLAQNQCDP-CQSZACIVSA-N 1 2 312.417 2.690 50 0 DFAALO Cc1ccc([C@H](Cc2ccccc2)[NH2+]Cc2nnn(C)n2)cc1C ZINC000225622615 186284575 /nfs/dbraw/zinc/28/45/75/186284575.db2.gz TUVFXZSNKPSRRP-SFHVURJKSA-N 1 2 321.428 2.901 50 0 DFAALO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2cccnc2)c[nH]1 ZINC000072322045 191121672 /nfs/dbraw/zinc/12/16/72/191121672.db2.gz ZTXKWKNKBIJMEZ-HNNXBMFYSA-N 1 2 300.406 2.891 50 0 biogenic,in-vitro DFAALO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2cccnc2)c[nH]1 ZINC000072322045 191121674 /nfs/dbraw/zinc/12/16/74/191121674.db2.gz ZTXKWKNKBIJMEZ-HNNXBMFYSA-N 1 2 300.406 2.891 50 0 biogenic,in-vitro DFAALO C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1[nH]cc[nH+]1 ZINC000072423933 191159354 /nfs/dbraw/zinc/15/93/54/191159354.db2.gz YZJAXFQDOJTXNS-LBPRGKRZSA-N 1 2 301.390 2.604 50 0 DFAALO CCC(=O)Nc1ccc(Nc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000072434101 191164601 /nfs/dbraw/zinc/16/46/01/191164601.db2.gz IUGAGFZOGJPPGC-UHFFFAOYSA-N 1 2 308.345 2.754 50 0 DFAALO CCS[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000072478434 191179235 /nfs/dbraw/zinc/17/92/35/191179235.db2.gz WNMHBSZXJAKJCS-HNNXBMFYSA-N 1 2 306.475 2.781 50 0 DFAALO CCOc1ccc(CC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000004248433 181087587 /nfs/dbraw/zinc/08/75/87/181087587.db2.gz WWZGLWKWUHRZKK-UHFFFAOYSA-N 1 2 323.396 2.634 50 0 DFAALO COc1cc(/C=C2/[C@H](O)C3CC[NH+]2CC3)cc(Cl)c1OC ZINC000004869950 181166573 /nfs/dbraw/zinc/16/65/73/181166573.db2.gz KBAIITFVWXNVSH-JEMSNHSXSA-N 1 2 309.793 2.785 50 0 DFAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000004977510 181182701 /nfs/dbraw/zinc/18/27/01/181182701.db2.gz LTTIQQKWTGOUHL-INIZCTEOSA-N 1 2 304.390 2.563 50 0 DFAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000004977510 181182704 /nfs/dbraw/zinc/18/27/04/181182704.db2.gz LTTIQQKWTGOUHL-INIZCTEOSA-N 1 2 304.390 2.563 50 0 DFAALO Cc1cc(C[N@H+](C)C[C@H](c2cccs2)N2CCOCC2)no1 ZINC000075603676 191498155 /nfs/dbraw/zinc/49/81/55/191498155.db2.gz RVNVYIJTUIVSHX-OAHLLOKOSA-N 1 2 321.446 2.550 50 0 DFAALO Cc1cc(C[N@@H+](C)C[C@H](c2cccs2)N2CCOCC2)no1 ZINC000075603676 191498158 /nfs/dbraw/zinc/49/81/58/191498158.db2.gz RVNVYIJTUIVSHX-OAHLLOKOSA-N 1 2 321.446 2.550 50 0 DFAALO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1n[nH]c2ccccc21 ZINC000005264676 181223532 /nfs/dbraw/zinc/22/35/32/181223532.db2.gz PSVFUSSUDGSRKL-OAHLLOKOSA-N 1 2 324.384 2.723 50 0 DFAALO C[N@@H+]1CCc2ncnc(N3CCC[C@@H]3c3cccc(F)c3)c2C1 ZINC000065474778 283179599 /nfs/dbraw/zinc/17/95/99/283179599.db2.gz YYDYXTOSFXPDGH-QGZVFWFLSA-N 1 2 312.392 2.945 50 0 DFAALO C[N@H+]1CCc2ncnc(N3CCC[C@@H]3c3cccc(F)c3)c2C1 ZINC000065474778 283179600 /nfs/dbraw/zinc/17/96/00/283179600.db2.gz YYDYXTOSFXPDGH-QGZVFWFLSA-N 1 2 312.392 2.945 50 0 DFAALO Oc1cccc(C[NH+]2CCN(Cc3ccc4c[nH]nc4c3)CC2)c1 ZINC000128016710 398824788 /nfs/dbraw/zinc/82/47/88/398824788.db2.gz RGSBSWQMECNEHZ-UHFFFAOYSA-N 1 2 322.412 2.586 50 0 DFAALO CCn1ncc2c1CCC[C@H]2[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC000076046928 398835157 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2.674 50 0 aggregator DFAALO O=C(NCCn1cc[nH+]c1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000065439758 184345532 /nfs/dbraw/zinc/34/55/32/184345532.db2.gz BLJCSDNFUCXESJ-UHFFFAOYSA-N 1 2 316.258 2.863 50 0 DFAALO Cc1[nH+]c2n(c1C)CCN(Cc1nc(-c3cccs3)no1)C2 ZINC000065464679 184349704 /nfs/dbraw/zinc/34/97/04/184349704.db2.gz NIJVRGCXURVVAS-UHFFFAOYSA-N 1 2 315.402 2.627 50 0 DFAALO COC(=O)c1c(C)nn(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000065562212 184366258 /nfs/dbraw/zinc/36/62/58/184366258.db2.gz FBYDGWQVCYTDRZ-LLVKDONJSA-N 1 2 319.327 2.518 50 0 DFAALO COC(=O)c1c(C)nn(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000065562212 184366260 /nfs/dbraw/zinc/36/62/60/184366260.db2.gz FBYDGWQVCYTDRZ-LLVKDONJSA-N 1 2 319.327 2.518 50 0 DFAALO CC1(C)CNC(=O)c2[nH]c(-c3ccccc3-n3cc[nH+]c3)nc2C1 ZINC000065508747 184357516 /nfs/dbraw/zinc/35/75/16/184357516.db2.gz IQKASZBGLFJKPZ-UHFFFAOYSA-N 1 2 321.384 2.575 50 0 DFAALO Cc1ccc(-c2cnnc(NCCc3cn4ccccc4[nH+]3)n2)o1 ZINC000012299341 542421264 /nfs/dbraw/zinc/42/12/64/542421264.db2.gz LVSGXYJEVNIVLF-UHFFFAOYSA-N 1 2 320.356 2.742 50 0 DFAALO CCn1c2ccc(F)cc2[nH+]c1Cn1cnc2ccccc2c1=O ZINC000066256188 542457736 /nfs/dbraw/zinc/45/77/36/542457736.db2.gz VVHSWQPHLAIFNT-UHFFFAOYSA-N 1 2 322.343 2.954 50 0 DFAALO COc1cccc(SCC(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000067741737 542460494 /nfs/dbraw/zinc/46/04/94/542460494.db2.gz OAQQHNJYFVYKKJ-UHFFFAOYSA-N 1 2 317.414 2.959 50 0 DFAALO O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1c[nH+]c[nH]1 ZINC000524733060 257214221 /nfs/dbraw/zinc/21/42/21/257214221.db2.gz PVBLVPLTPMJOHK-HNNXBMFYSA-N 1 2 314.414 2.611 50 0 DFAALO O=C(C[C@@H](c1ccsc1)n1cccc1)NCCc1c[nH]c[nH+]1 ZINC000524733060 257214222 /nfs/dbraw/zinc/21/42/22/257214222.db2.gz PVBLVPLTPMJOHK-HNNXBMFYSA-N 1 2 314.414 2.611 50 0 DFAALO C[C@H]([NH2+]Cc1ccccc1-c1ccnn1C)C(=O)OC(C)(C)C ZINC000351979310 257236405 /nfs/dbraw/zinc/23/64/05/257236405.db2.gz MEBIRWZUEWYZEF-ZDUSSCGKSA-N 1 2 315.417 2.907 50 0 DFAALO CN(C[C@H]1CCCCO1)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426485596 257249480 /nfs/dbraw/zinc/24/94/80/257249480.db2.gz FMNZRMZQWUXJSU-MRXNPFEDSA-N 1 2 313.401 2.728 50 0 DFAALO CCCCN(Cc1ccccc1)C(=O)NCCc1c[nH+]c[nH]1 ZINC000426440224 257249920 /nfs/dbraw/zinc/24/99/20/257249920.db2.gz DZJJETPFMIJCRI-UHFFFAOYSA-N 1 2 300.406 2.964 50 0 DFAALO CCCCN(Cc1ccccc1)C(=O)NCCc1c[nH]c[nH+]1 ZINC000426440224 257249922 /nfs/dbraw/zinc/24/99/22/257249922.db2.gz DZJJETPFMIJCRI-UHFFFAOYSA-N 1 2 300.406 2.964 50 0 DFAALO COc1ccccc1N1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000071821906 184853444 /nfs/dbraw/zinc/85/34/44/184853444.db2.gz WLXXGAURYYIUBA-UHFFFAOYSA-N 1 2 301.390 2.622 50 0 DFAALO C[C@H](c1cc(F)ccc1F)N(C)c1[nH+]cnc2c1cnn2C ZINC000052447119 425884393 /nfs/dbraw/zinc/88/43/93/425884393.db2.gz MOJVSECJWHHYSE-SECBINFHSA-N 1 2 303.316 2.839 50 0 DFAALO Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cn3cc[nH+]c3)cc2c1 ZINC000052749795 425885417 /nfs/dbraw/zinc/88/54/17/425885417.db2.gz ILXYMJOYOSNSPI-CYBMUJFWSA-N 1 2 308.385 2.867 50 0 DFAALO CCc1[nH+]c2ccccc2n1CC(=O)N(C)Cc1ccc(O)cc1 ZINC000052962620 425886568 /nfs/dbraw/zinc/88/65/68/425886568.db2.gz DSSFPDCNJJNZLO-UHFFFAOYSA-N 1 2 323.396 2.963 50 0 DFAALO CCCCS(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000053644695 425888343 /nfs/dbraw/zinc/88/83/43/425888343.db2.gz QUCCIUYEHYLRKZ-CYBMUJFWSA-N 1 2 307.419 2.653 50 0 DFAALO O=C(NCCc1ccccc1F)NCc1cn2ccccc2[nH+]1 ZINC000054954120 425891872 /nfs/dbraw/zinc/89/18/72/425891872.db2.gz AZGSSAOADCQAGU-UHFFFAOYSA-N 1 2 312.348 2.515 50 0 DFAALO CC(=O)Nc1ccc(Cl)c(C(=O)N(C)Cc2[nH]cc(C)[nH+]2)c1 ZINC000055167655 425892338 /nfs/dbraw/zinc/89/23/38/425892338.db2.gz PJFNJDLQTAPIES-UHFFFAOYSA-N 1 2 320.780 2.602 50 0 DFAALO COCc1nc([C@@H]2CCCCC[N@@H+]2C)n(CC(F)(F)F)n1 ZINC000670444323 544041128 /nfs/dbraw/zinc/04/11/28/544041128.db2.gz SIVGZJOOXZMLCO-JTQLQIEISA-N 1 2 306.332 2.534 50 0 DFAALO COCc1nc([C@@H]2CCCCC[N@H+]2C)n(CC(F)(F)F)n1 ZINC000670444323 544041130 /nfs/dbraw/zinc/04/11/30/544041130.db2.gz SIVGZJOOXZMLCO-JTQLQIEISA-N 1 2 306.332 2.534 50 0 DFAALO COc1ccc(OCc2n[nH]c([C@@H]3CCCCC[N@@H+]3C)n2)cc1 ZINC000670450054 544042484 /nfs/dbraw/zinc/04/24/84/544042484.db2.gz UTAKQSZYHPNFIA-HNNXBMFYSA-N 1 2 316.405 2.939 50 0 DFAALO COc1ccc(OCc2n[nH]c([C@@H]3CCCCC[N@H+]3C)n2)cc1 ZINC000670450054 544042487 /nfs/dbraw/zinc/04/24/87/544042487.db2.gz UTAKQSZYHPNFIA-HNNXBMFYSA-N 1 2 316.405 2.939 50 0 DFAALO COCC[N@H+](Cc1ccc(OC)nc1)Cc1ccccc1F ZINC000055385463 425893331 /nfs/dbraw/zinc/89/33/31/425893331.db2.gz DHLVMVWQSMPAPL-UHFFFAOYSA-N 1 2 304.365 2.878 50 0 DFAALO COCC[N@@H+](Cc1ccc(OC)nc1)Cc1ccccc1F ZINC000055385463 425893332 /nfs/dbraw/zinc/89/33/32/425893332.db2.gz DHLVMVWQSMPAPL-UHFFFAOYSA-N 1 2 304.365 2.878 50 0 DFAALO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057024255 425896044 /nfs/dbraw/zinc/89/60/44/425896044.db2.gz OSCFPGJZCMZFFY-QGZVFWFLSA-N 1 2 323.440 2.860 50 0 DFAALO CC[N@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000058339617 425897625 /nfs/dbraw/zinc/89/76/25/425897625.db2.gz OXGWSLZEXFHILP-ZDUSSCGKSA-N 1 2 321.364 2.714 50 0 DFAALO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000058339617 425897626 /nfs/dbraw/zinc/89/76/26/425897626.db2.gz OXGWSLZEXFHILP-ZDUSSCGKSA-N 1 2 321.364 2.714 50 0 DFAALO Cc1csc(N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000064635904 425901861 /nfs/dbraw/zinc/90/18/61/425901861.db2.gz DEIIJLMXDYQOQI-UHFFFAOYSA-N 1 2 306.435 2.769 50 0 DFAALO Cc1csc(N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000064635904 425901862 /nfs/dbraw/zinc/90/18/62/425901862.db2.gz DEIIJLMXDYQOQI-UHFFFAOYSA-N 1 2 306.435 2.769 50 0 DFAALO Cc1nc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)oc1C ZINC000065589607 425903046 /nfs/dbraw/zinc/90/30/46/425903046.db2.gz XDBZWMFZUAZEGH-UHFFFAOYSA-N 1 2 323.400 2.557 50 0 DFAALO Cc1nnsc1C[N@@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000067559804 425911337 /nfs/dbraw/zinc/91/13/37/425911337.db2.gz BQKKCINIPNWTNW-UHFFFAOYSA-N 1 2 317.393 2.803 50 0 DFAALO Cc1nnsc1C[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000067559804 425911338 /nfs/dbraw/zinc/91/13/38/425911338.db2.gz BQKKCINIPNWTNW-UHFFFAOYSA-N 1 2 317.393 2.803 50 0 DFAALO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2noc(C3CCCC3)n2)n1 ZINC000067649814 425911899 /nfs/dbraw/zinc/91/18/99/425911899.db2.gz MHWMFBLQCRTCIJ-LBPRGKRZSA-N 1 2 303.410 2.719 50 0 DFAALO COc1cc(-n2cc[nH+]c2[C@H]2CCOC2)ccc1N1CCCC1 ZINC000067654216 425911958 /nfs/dbraw/zinc/91/19/58/425911958.db2.gz QHLRHLJJDGZSOH-AWEZNQCLSA-N 1 2 313.401 2.985 50 0 DFAALO Cc1n[nH]c(C)c1[C@@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067649127 425912056 /nfs/dbraw/zinc/91/20/56/425912056.db2.gz QKCPBJZSPXDSGX-CYBMUJFWSA-N 1 2 321.446 2.623 50 0 DFAALO Cc1n[nH]c(C)c1[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067649127 425912057 /nfs/dbraw/zinc/91/20/57/425912057.db2.gz QKCPBJZSPXDSGX-CYBMUJFWSA-N 1 2 321.446 2.623 50 0 DFAALO CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2F)CCO1 ZINC000067909554 425914717 /nfs/dbraw/zinc/91/47/17/425914717.db2.gz JKNWNZGWPBYXID-OAHLLOKOSA-N 1 2 322.424 2.579 50 0 DFAALO CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2F)CCO1 ZINC000067909554 425914718 /nfs/dbraw/zinc/91/47/18/425914718.db2.gz JKNWNZGWPBYXID-OAHLLOKOSA-N 1 2 322.424 2.579 50 0 DFAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](n2cccn2)C1 ZINC000069348495 425935877 /nfs/dbraw/zinc/93/58/77/425935877.db2.gz ZUWNKMIRWISKIZ-KRWDZBQOSA-N 1 2 321.384 2.546 50 0 DFAALO NNc1nc(Nc2ccccc2)nc(NCc2ccccc2)[nH+]1 ZINC000000127686 425538719 /nfs/dbraw/zinc/53/87/19/425538719.db2.gz SQGVRRFIRZBVFD-UHFFFAOYSA-N 1 2 307.361 2.513 50 0 DFAALO Cn1ncc2c1nc[nH+]c2N1CCC(Cc2ccccc2)CC1 ZINC000001384612 425577994 /nfs/dbraw/zinc/57/79/94/425577994.db2.gz HNDXZWKMORMHRA-UHFFFAOYSA-N 1 2 307.401 2.822 50 0 DFAALO Cc1ccc(-n2nnnc2SCc2cn3ccccc3[nH+]2)cc1 ZINC000008012340 425657634 /nfs/dbraw/zinc/65/76/34/425657634.db2.gz QWUVVORTKVOJMW-UHFFFAOYSA-N 1 2 322.397 2.911 50 0 DFAALO COc1ccccc1N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000006700528 425628483 /nfs/dbraw/zinc/62/84/83/425628483.db2.gz QGLGNPCWSBQHAU-UHFFFAOYSA-N 1 2 322.412 2.665 50 0 DFAALO O=C(NCc1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000012808636 425738146 /nfs/dbraw/zinc/73/81/46/425738146.db2.gz AKDIYWGHACLFIS-UHFFFAOYSA-N 1 2 315.442 2.776 50 0 DFAALO COC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012864119 425741046 /nfs/dbraw/zinc/74/10/46/425741046.db2.gz FZJASDUXITUOHV-UHFFFAOYSA-N 1 2 300.358 2.727 50 0 DFAALO COc1ccc([C@@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)cc1 ZINC000009157091 425682711 /nfs/dbraw/zinc/68/27/11/425682711.db2.gz IMNMOIAWDMQMGH-MRXNPFEDSA-N 1 2 313.401 2.825 50 0 DFAALO c1c(CSc2nnnn2Cc2ccccc2)[nH+]c2ccccn12 ZINC000009367301 425686779 /nfs/dbraw/zinc/68/67/79/425686779.db2.gz KNXZOCWGNHGBBY-UHFFFAOYSA-N 1 2 322.397 2.661 50 0 DFAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1)c1ccccc1 ZINC000009467070 425689909 /nfs/dbraw/zinc/68/99/09/425689909.db2.gz JECBWDSXNWYSCJ-SFHVURJKSA-N 1 2 305.381 2.868 50 0 DFAALO O=C(C[N@@H+]1CCc2sccc2C1)NCc1ccccc1F ZINC000010107186 425698462 /nfs/dbraw/zinc/69/84/62/425698462.db2.gz VIRROIBWGORCBG-UHFFFAOYSA-N 1 2 304.390 2.562 50 0 DFAALO O=C(C[N@H+]1CCc2sccc2C1)NCc1ccccc1F ZINC000010107186 425698465 /nfs/dbraw/zinc/69/84/65/425698465.db2.gz VIRROIBWGORCBG-UHFFFAOYSA-N 1 2 304.390 2.562 50 0 DFAALO Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)Cn1cc[nH+]c1 ZINC000010809667 425704803 /nfs/dbraw/zinc/70/48/03/425704803.db2.gz CZIJAYGLXXTUEH-UHFFFAOYSA-N 1 2 315.764 2.576 50 0 DFAALO CN(CCc1ccccn1)c1[nH+]cccc1CNc1ncccn1 ZINC000011822149 425713289 /nfs/dbraw/zinc/71/32/89/425713289.db2.gz INJCRNHKFSJVBO-UHFFFAOYSA-N 1 2 320.400 2.558 50 0 DFAALO COc1ccc(-c2noc(C[N@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000011879202 425714229 /nfs/dbraw/zinc/71/42/29/425714229.db2.gz LTDVHNUNSCONMY-OAHLLOKOSA-N 1 2 317.389 2.746 50 0 DFAALO COc1ccc(-c2noc(C[N@@H+](C)C[C@H]3CCCCO3)n2)cc1 ZINC000011879202 425714232 /nfs/dbraw/zinc/71/42/32/425714232.db2.gz LTDVHNUNSCONMY-OAHLLOKOSA-N 1 2 317.389 2.746 50 0 DFAALO CCN(CC)c1[nH+]cccc1CNC(=O)CCC(F)(F)F ZINC000011956848 425716837 /nfs/dbraw/zinc/71/68/37/425716837.db2.gz QRQRICMQCRBCIR-UHFFFAOYSA-N 1 2 303.328 2.887 50 0 DFAALO C[N@@H+](Cc1nc(Cc2ccccc2F)no1)C[C@@H]1CCCCO1 ZINC000012075818 425718355 /nfs/dbraw/zinc/71/83/55/425718355.db2.gz KGLLORHMBUMGMV-AWEZNQCLSA-N 1 2 319.380 2.800 50 0 DFAALO C[N@H+](Cc1nc(Cc2ccccc2F)no1)C[C@@H]1CCCCO1 ZINC000012075818 425718360 /nfs/dbraw/zinc/71/83/60/425718360.db2.gz KGLLORHMBUMGMV-AWEZNQCLSA-N 1 2 319.380 2.800 50 0 DFAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)o1 ZINC000012529952 425729315 /nfs/dbraw/zinc/72/93/15/425729315.db2.gz QZLBJQSFNTVZAZ-OAHLLOKOSA-N 1 2 313.332 2.980 50 0 DFAALO O=C(Cn1c(CCCO)[nH+]c2ccccc21)Nc1ccccc1 ZINC000012550338 425730751 /nfs/dbraw/zinc/73/07/51/425730751.db2.gz DEUDISVXGKLODF-UHFFFAOYSA-N 1 2 309.369 2.600 50 0 DFAALO CCCc1noc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)n1 ZINC000012578327 425730981 /nfs/dbraw/zinc/73/09/81/425730981.db2.gz JJLLWNGDPXUGFP-UHFFFAOYSA-N 1 2 311.389 2.840 50 0 DFAALO CCCc1noc(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)n1 ZINC000012578327 425730986 /nfs/dbraw/zinc/73/09/86/425730986.db2.gz JJLLWNGDPXUGFP-UHFFFAOYSA-N 1 2 311.389 2.840 50 0 DFAALO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)c1 ZINC000026221563 425810636 /nfs/dbraw/zinc/81/06/36/425810636.db2.gz RRUBTDMYXBFCHL-SJCJKPOMSA-N 1 2 314.385 2.581 50 0 DFAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 ZINC000014252852 425770930 /nfs/dbraw/zinc/77/09/30/425770930.db2.gz JYZFXYLRGWBDSE-UHFFFAOYSA-N 1 2 310.463 2.526 50 0 DFAALO CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1ccccc1)C2O ZINC000019323133 425789454 /nfs/dbraw/zinc/78/94/54/425789454.db2.gz UNSVBIQMIGGMDJ-UHFFFAOYSA-N 1 2 314.473 2.976 50 0 DFAALO CC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2c[nH+]c3ccccn23)c1C ZINC000020167156 425792678 /nfs/dbraw/zinc/79/26/78/425792678.db2.gz QLKDGYBREAPQTE-UHFFFAOYSA-N 1 2 324.384 2.754 50 0 DFAALO Cc1cccnc1N1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000020854973 425793943 /nfs/dbraw/zinc/79/39/43/425793943.db2.gz KLDLEPKAQVZORV-UHFFFAOYSA-N 1 2 307.401 2.589 50 0 DFAALO O[C@H](COCc1cccs1)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000025256536 425802295 /nfs/dbraw/zinc/80/22/95/425802295.db2.gz AZDGTAMYAHFOAN-JTQLQIEISA-N 1 2 324.352 2.954 50 0 DFAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000026025368 425809291 /nfs/dbraw/zinc/80/92/91/425809291.db2.gz ZAYXRDYQGICDBQ-LBPRGKRZSA-N 1 2 324.306 2.682 50 0 DFAALO O=C(Nc1ccccc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013324747 425751374 /nfs/dbraw/zinc/75/13/74/425751374.db2.gz FXVOOHLAOIIIIM-UHFFFAOYSA-N 1 2 314.364 2.570 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCCc2ccccc21 ZINC000044935286 425858753 /nfs/dbraw/zinc/85/87/53/425858753.db2.gz ASLAJRKETKKGGJ-KRWDZBQOSA-N 1 2 309.413 2.884 50 0 DFAALO Cc1ccsc1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000044954730 425859151 /nfs/dbraw/zinc/85/91/51/425859151.db2.gz KICUBDDKOVMCKM-UHFFFAOYSA-N 1 2 304.419 2.517 50 0 DFAALO COc1ncccc1CNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000044978655 425859356 /nfs/dbraw/zinc/85/93/56/425859356.db2.gz HNPLCTDHAQPJAZ-UHFFFAOYSA-N 1 2 307.357 2.863 50 0 DFAALO O=C(C[N@H+](Cc1ccco1)C1CC1)N1CCc2sccc2C1 ZINC000045005174 425859714 /nfs/dbraw/zinc/85/97/14/425859714.db2.gz SRFPANMMELTPPX-UHFFFAOYSA-N 1 2 316.426 2.890 50 0 DFAALO O=C(C[N@@H+](Cc1ccco1)C1CC1)N1CCc2sccc2C1 ZINC000045005174 425859715 /nfs/dbraw/zinc/85/97/15/425859715.db2.gz SRFPANMMELTPPX-UHFFFAOYSA-N 1 2 316.426 2.890 50 0 DFAALO CC[C@@H]1C[N@@H+]([C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 ZINC000045752758 425862296 /nfs/dbraw/zinc/86/22/96/425862296.db2.gz VUDJXIMMKAAFMN-GXTWGEPZSA-N 1 2 317.389 2.917 50 0 DFAALO CC[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)CCO1 ZINC000045752758 425862297 /nfs/dbraw/zinc/86/22/97/425862297.db2.gz VUDJXIMMKAAFMN-GXTWGEPZSA-N 1 2 317.389 2.917 50 0 DFAALO Cc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)no1 ZINC000027438936 425815645 /nfs/dbraw/zinc/81/56/45/425815645.db2.gz ULRIFABQMMCUSY-UHFFFAOYSA-N 1 2 317.364 2.517 50 0 DFAALO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccsc1)c1ccccc1 ZINC000027415451 425816213 /nfs/dbraw/zinc/81/62/13/425816213.db2.gz SVIOAQKRDHZCKK-MRXNPFEDSA-N 1 2 311.410 2.930 50 0 DFAALO Cc1ccccc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000028290976 425821332 /nfs/dbraw/zinc/82/13/32/425821332.db2.gz LCICITLMEQFCAY-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000028693135 425822016 /nfs/dbraw/zinc/82/20/16/425822016.db2.gz SVDBJVPWWZYZPM-UHFFFAOYSA-N 1 2 315.804 2.693 50 0 DFAALO C[NH+](C)/C=C1/CCN(c2ccc(OC(F)(F)F)cc2)C1=O ZINC000029763987 425829030 /nfs/dbraw/zinc/82/90/30/425829030.db2.gz WYAHUEXFOXIAHY-KTKRTIGZSA-N 1 2 300.280 2.767 50 0 DFAALO C[N@H+](Cc1ccc(Br)o1)[C@H](C(N)=O)c1ccccc1 ZINC000030217327 425830447 /nfs/dbraw/zinc/83/04/47/425830447.db2.gz MLVJCYDKFMRQBB-ZDUSSCGKSA-N 1 2 323.190 2.701 50 0 DFAALO C[N@@H+](Cc1ccc(Br)o1)[C@H](C(N)=O)c1ccccc1 ZINC000030217327 425830448 /nfs/dbraw/zinc/83/04/48/425830448.db2.gz MLVJCYDKFMRQBB-ZDUSSCGKSA-N 1 2 323.190 2.701 50 0 DFAALO C[C@@H](CNC(=O)c1cccs1)[N@@H+]1CCc2sccc2C1 ZINC000032428049 425838664 /nfs/dbraw/zinc/83/86/64/425838664.db2.gz IJTDMSOKCDKEKI-NSHDSACASA-N 1 2 306.456 2.986 50 0 DFAALO C[C@@H](CNC(=O)c1cccs1)[N@H+]1CCc2sccc2C1 ZINC000032428049 425838665 /nfs/dbraw/zinc/83/86/65/425838665.db2.gz IJTDMSOKCDKEKI-NSHDSACASA-N 1 2 306.456 2.986 50 0 DFAALO O=C(CCc1ccccc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000032777605 425839739 /nfs/dbraw/zinc/83/97/39/425839739.db2.gz CXMIEARJPKIFTE-UHFFFAOYSA-N 1 2 306.369 2.516 50 0 DFAALO CN(C)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000032913655 425840795 /nfs/dbraw/zinc/84/07/95/425840795.db2.gz FPQOIVUZUPNPHC-UHFFFAOYSA-N 1 2 321.384 2.645 50 0 DFAALO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc2ccccc2o1 ZINC000033042441 425841156 /nfs/dbraw/zinc/84/11/56/425841156.db2.gz UWZDYSLNWSBZBZ-UHFFFAOYSA-N 1 2 318.336 2.944 50 0 DFAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)Cc2cccs2)c1C ZINC000035388497 425844262 /nfs/dbraw/zinc/84/42/62/425844262.db2.gz YOCWWKRELWIZHR-UHFFFAOYSA-N 1 2 320.414 2.794 50 0 DFAALO COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)Cc2cccs2)c1C ZINC000035388497 425844263 /nfs/dbraw/zinc/84/42/63/425844263.db2.gz YOCWWKRELWIZHR-UHFFFAOYSA-N 1 2 320.414 2.794 50 0 DFAALO N=c1c2c(ncn1CCCn1cc[nH+]c1)sc1c2CCCC1 ZINC000035999866 425844957 /nfs/dbraw/zinc/84/49/57/425844957.db2.gz XWDARGHORPNZSN-UHFFFAOYSA-N 1 2 313.430 2.743 50 0 DFAALO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC(c2ccccc2)=N1 ZINC000036389893 425845693 /nfs/dbraw/zinc/84/56/93/425845693.db2.gz LXASKERWPKNNDD-UHFFFAOYSA-N 1 2 319.408 2.681 50 0 DFAALO O=C(C[N@H+]1CCc2ccccc2C1)N1CCC(c2ccccc2)=N1 ZINC000036389893 425845694 /nfs/dbraw/zinc/84/56/94/425845694.db2.gz LXASKERWPKNNDD-UHFFFAOYSA-N 1 2 319.408 2.681 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000047871016 425872118 /nfs/dbraw/zinc/87/21/18/425872118.db2.gz BSSALRDRKIFZTD-TZMCWYRMSA-N 1 2 316.430 2.808 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc2ccccc2c1 ZINC000047931599 425872375 /nfs/dbraw/zinc/87/23/75/425872375.db2.gz HNRVVRBQQJAFBV-CQSZACIVSA-N 1 2 309.369 2.620 50 0 DFAALO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000048264809 425874147 /nfs/dbraw/zinc/87/41/47/425874147.db2.gz JUUHISQANLUENJ-FUHWJXTLSA-N 1 2 303.402 2.911 50 0 DFAALO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000048264809 425874148 /nfs/dbraw/zinc/87/41/48/425874148.db2.gz JUUHISQANLUENJ-FUHWJXTLSA-N 1 2 303.402 2.911 50 0 DFAALO Cc1cc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)nc2)on1 ZINC000048290992 425874244 /nfs/dbraw/zinc/87/42/44/425874244.db2.gz LDWXXSZWYTWOQJ-CQSZACIVSA-N 1 2 323.356 2.541 50 0 DFAALO COc1cccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000069418354 425938299 /nfs/dbraw/zinc/93/82/99/425938299.db2.gz BTURXIRKIMZXKL-UHFFFAOYSA-N 1 2 300.362 2.761 50 0 DFAALO Cn1cc[nH+]c1CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000069414960 425938316 /nfs/dbraw/zinc/93/83/16/425938316.db2.gz TZKWKYIFKQHSRX-UHFFFAOYSA-N 1 2 322.815 2.530 50 0 DFAALO Cc1cccnc1N1CC[NH+](Cc2cc(C(C)C)no2)CC1 ZINC000071415694 425985523 /nfs/dbraw/zinc/98/55/23/425985523.db2.gz UHFQZICBZPPVHB-UHFFFAOYSA-N 1 2 300.406 2.824 50 0 DFAALO CC[C@H]1c2cccn2CC[N@H+]1Cc1cc(C)n(-n2cnnc2)c1C ZINC000071765398 425988156 /nfs/dbraw/zinc/98/81/56/425988156.db2.gz FFCRRBLESNLXIG-KRWDZBQOSA-N 1 2 324.432 2.776 50 0 DFAALO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cc(C)n(-n2cnnc2)c1C ZINC000071765398 425988158 /nfs/dbraw/zinc/98/81/58/425988158.db2.gz FFCRRBLESNLXIG-KRWDZBQOSA-N 1 2 324.432 2.776 50 0 DFAALO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1cc(Cl)cn1 ZINC000071796140 425989297 /nfs/dbraw/zinc/98/92/97/425989297.db2.gz FIHNFICWYXQNMT-UHFFFAOYSA-N 1 2 320.824 2.718 50 0 DFAALO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1cc(Cl)cn1 ZINC000071796140 425989299 /nfs/dbraw/zinc/98/92/99/425989299.db2.gz FIHNFICWYXQNMT-UHFFFAOYSA-N 1 2 320.824 2.718 50 0 DFAALO Cn1cc([C@@H]2CCCN2Cc2[nH+]ccn2CC(F)(F)F)cn1 ZINC000071797135 425990261 /nfs/dbraw/zinc/99/02/61/425990261.db2.gz GORKWZSBIAYTAI-LBPRGKRZSA-N 1 2 313.327 2.516 50 0 DFAALO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000071819469 425990568 /nfs/dbraw/zinc/99/05/68/425990568.db2.gz NZXLAMNDIWVXHA-GFCCVEGCSA-N 1 2 318.808 2.582 50 0 DFAALO O=C([C@@H]1C[C@@H]1c1ccco1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000071835158 425993424 /nfs/dbraw/zinc/99/34/24/425993424.db2.gz HYUAKDDLKGPSPK-LSDHHAIUSA-N 1 2 316.426 2.789 50 0 DFAALO Cc1n[nH]cc1C[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000071837240 425994578 /nfs/dbraw/zinc/99/45/78/425994578.db2.gz ZGDDUZXRRSMMPX-KRWDZBQOSA-N 1 2 312.417 2.562 50 0 DFAALO C[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000071856740 425995058 /nfs/dbraw/zinc/99/50/58/425995058.db2.gz GNIUOBBQWBDDOG-UKRRQHHQSA-N 1 2 302.422 2.538 50 0 DFAALO COc1cc(F)ccc1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000071867508 425996772 /nfs/dbraw/zinc/99/67/72/425996772.db2.gz KFFTWSULCCIVBC-UHFFFAOYSA-N 1 2 318.352 2.689 50 0 DFAALO O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000071897022 426000923 /nfs/dbraw/zinc/00/09/23/426000923.db2.gz NOJWSLWMOKWOHM-OAHLLOKOSA-N 1 2 321.327 2.946 50 0 DFAALO O=C(Nc1cc(F)cc(F)c1)[C@H]1CCCC[N@H+]1Cc1ccno1 ZINC000071897022 426000925 /nfs/dbraw/zinc/00/09/25/426000925.db2.gz NOJWSLWMOKWOHM-OAHLLOKOSA-N 1 2 321.327 2.946 50 0 DFAALO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCC[N@@H+]1Cc1ccno1 ZINC000071897023 426001446 /nfs/dbraw/zinc/00/14/46/426001446.db2.gz NOJWSLWMOKWOHM-HNNXBMFYSA-N 1 2 321.327 2.946 50 0 DFAALO O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCC[N@H+]1Cc1ccno1 ZINC000071897023 426001447 /nfs/dbraw/zinc/00/14/47/426001447.db2.gz NOJWSLWMOKWOHM-HNNXBMFYSA-N 1 2 321.327 2.946 50 0 DFAALO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CCc2ccco2)CC1 ZINC000071908159 426003205 /nfs/dbraw/zinc/00/32/05/426003205.db2.gz VARVYBAPLCKDOJ-HNNXBMFYSA-N 1 2 313.401 2.513 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H](C)c1ccccc1 ZINC000069561211 425946028 /nfs/dbraw/zinc/94/60/28/425946028.db2.gz CDBRMDJBQBZKRM-HUUCEWRRSA-N 1 2 300.406 2.765 50 0 DFAALO CCC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000069537284 425946506 /nfs/dbraw/zinc/94/65/06/425946506.db2.gz YLVICWQYSKRTDE-UHFFFAOYSA-N 1 2 304.438 2.746 50 0 DFAALO Cc1noc([C@H](C)[N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)n1 ZINC000069586578 425947602 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Cc1cc(C(=O)N2CCC(c3[nH+]ccn3C)CC2)ccc1F ZINC000091644924 193083475 /nfs/dbraw/zinc/08/34/75/193083475.db2.gz DHKYGSRGPOZMNR-UHFFFAOYSA-N 1 2 301.365 2.887 50 0 DFAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(OC)cc2)C1 ZINC000091690482 193091908 /nfs/dbraw/zinc/09/19/08/193091908.db2.gz NEWPXOBKAGQYDQ-OAHLLOKOSA-N 1 2 313.401 2.931 50 0 DFAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000091877242 193122311 /nfs/dbraw/zinc/12/23/11/193122311.db2.gz DVXCQIJSKMSHGW-CYBMUJFWSA-N 1 2 318.446 2.996 50 0 DFAALO CCCc1[nH+]c2ccccc2n1[C@H](C)C(=O)N(C)CCOC ZINC000055060490 284123424 /nfs/dbraw/zinc/12/34/24/284123424.db2.gz GLELXBDFHVZSHG-CYBMUJFWSA-N 1 2 303.406 2.655 50 0 DFAALO COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)c[nH]1 ZINC000093478507 193257619 /nfs/dbraw/zinc/25/76/19/193257619.db2.gz FPZOIPZJVVCPAM-QGZVFWFLSA-N 1 2 314.385 2.683 50 0 DFAALO COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)c[nH]1 ZINC000093478507 193257620 /nfs/dbraw/zinc/25/76/20/193257620.db2.gz 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/nfs/dbraw/zinc/37/70/62/426377062.db2.gz GARSPUXTRWVIHW-HNNXBMFYSA-N 1 2 313.426 2.916 50 0 DFAALO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095971487 426380232 /nfs/dbraw/zinc/38/02/32/426380232.db2.gz DZWSYMNPQYPOCY-PWSUYJOCSA-N 1 2 322.409 2.607 50 0 DFAALO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095971487 426380235 /nfs/dbraw/zinc/38/02/35/426380235.db2.gz DZWSYMNPQYPOCY-PWSUYJOCSA-N 1 2 322.409 2.607 50 0 DFAALO O[C@@H](COc1ccc(F)cc1)Cn1cc[nH+]c1-c1cccnc1 ZINC000095974670 426380712 /nfs/dbraw/zinc/38/07/12/426380712.db2.gz UCBGKRMHLIZAOV-OAHLLOKOSA-N 1 2 313.332 2.524 50 0 DFAALO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)[C@H](O)Cc1ccccc1 ZINC000095978591 426381754 /nfs/dbraw/zinc/38/17/54/426381754.db2.gz AJNGWHGRVUEFDY-MLGOLLRUSA-N 1 2 308.385 2.616 50 0 DFAALO CO[C@@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2-c2ccccc2)C1 ZINC000095981261 426382894 /nfs/dbraw/zinc/38/28/94/426382894.db2.gz SNAGDJXVBAZBKU-GOEBONIOSA-N 1 2 313.401 2.749 50 0 DFAALO CC(C)c1nc(C[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)no1 ZINC000095986066 426383803 /nfs/dbraw/zinc/38/38/03/426383803.db2.gz IIKVHNDCKCDLEK-GFCCVEGCSA-N 1 2 312.377 2.625 50 0 DFAALO COCCn1cc2c(n1)[C@@H]([NH2+]Cc1ccccc1F)CCC2 ZINC000096002715 426386092 /nfs/dbraw/zinc/38/60/92/426386092.db2.gz QIYFHHKJRQAJET-INIZCTEOSA-N 1 2 303.381 2.836 50 0 DFAALO Cc1nc(/C=C\C(=O)NCc2cn3cc(C)ccc3[nH+]2)cs1 ZINC000096310210 426412462 /nfs/dbraw/zinc/41/24/62/426412462.db2.gz SLWGGPYPCSYYBS-XQRVVYSFSA-N 1 2 312.398 2.737 50 0 DFAALO CCN(CC)C(=O)C1([NH2+]Cc2nc(C)c(C)o2)CCCCC1 ZINC000096424420 426420811 /nfs/dbraw/zinc/42/08/11/426420811.db2.gz UERAQHOJWGMDDF-UHFFFAOYSA-N 1 2 307.438 2.952 50 0 DFAALO COc1cccc([C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000096424630 426420848 /nfs/dbraw/zinc/42/08/48/426420848.db2.gz OUXKVIOAQBZPQP-INIZCTEOSA-N 1 2 311.429 2.969 50 0 DFAALO Cc1nc([C@H](C)NC(=O)NCc2[nH+]ccn2CC(C)C)cs1 ZINC000096440011 426425631 /nfs/dbraw/zinc/42/56/31/426425631.db2.gz YVRHQFKYHCOWGA-NSHDSACASA-N 1 2 321.450 2.864 50 0 DFAALO Cc1ncccc1C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000096443073 426426992 /nfs/dbraw/zinc/42/69/92/426426992.db2.gz ABOVCUWXCGXPNL-KRWDZBQOSA-N 1 2 320.396 2.837 50 0 DFAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCO[C@H](C)[C@@H]1C ZINC000096499579 426437291 /nfs/dbraw/zinc/43/72/91/426437291.db2.gz VQFPENABWYHLPZ-UONOGXRCSA-N 1 2 318.421 2.631 50 0 DFAALO Cc1c[nH+]cc(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000097038336 426441262 /nfs/dbraw/zinc/44/12/62/426441262.db2.gz MGSKSBDUDZGESC-CYBMUJFWSA-N 1 2 319.430 2.813 50 0 DFAALO COc1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1OC1CCCC1 ZINC000097107308 426449134 /nfs/dbraw/zinc/44/91/34/426449134.db2.gz ILSUXNBZYRZZNC-UHFFFAOYSA-N 1 2 315.373 2.670 50 0 DFAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cscn2)CC1 ZINC000097143211 426453945 /nfs/dbraw/zinc/45/39/45/426453945.db2.gz CJJZXYXCNFOBGZ-LLVKDONJSA-N 1 2 307.444 2.724 50 0 DFAALO CCc1nc(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)cs1 ZINC000097164143 426456058 /nfs/dbraw/zinc/45/60/58/426456058.db2.gz 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ZINC000223084563 426587348 /nfs/dbraw/zinc/58/73/48/426587348.db2.gz OECMDASKQBXDAJ-LBPRGKRZSA-N 1 2 315.373 2.512 50 0 DFAALO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1c[nH]c3ccccc13)C2 ZINC000225519593 426603260 /nfs/dbraw/zinc/60/32/60/426603260.db2.gz OTVCWOINGFTEIB-LBPRGKRZSA-N 1 2 308.385 2.621 50 0 DFAALO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1c[nH]c3ccccc13)CC2 ZINC000225519593 426603266 /nfs/dbraw/zinc/60/32/66/426603266.db2.gz OTVCWOINGFTEIB-LBPRGKRZSA-N 1 2 308.385 2.621 50 0 DFAALO COCc1n[nH]c([C@H]2CCCC[N@@H+]2Cc2ccccc2C)n1 ZINC000289202174 426603842 /nfs/dbraw/zinc/60/38/42/426603842.db2.gz VMOUWIMAHFTKMZ-OAHLLOKOSA-N 1 2 300.406 2.987 50 0 DFAALO COCc1n[nH]c([C@H]2CCCC[N@H+]2Cc2ccccc2C)n1 ZINC000289202174 426603847 /nfs/dbraw/zinc/60/38/47/426603847.db2.gz VMOUWIMAHFTKMZ-OAHLLOKOSA-N 1 2 300.406 2.987 50 0 DFAALO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000225514387 426604050 /nfs/dbraw/zinc/60/40/50/426604050.db2.gz OLUVIYGPCKCLHK-JKSUJKDBSA-N 1 2 309.413 2.606 50 0 DFAALO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@@H](Cc2ccccc2)C1 ZINC000225514387 426604053 /nfs/dbraw/zinc/60/40/53/426604053.db2.gz OLUVIYGPCKCLHK-JKSUJKDBSA-N 1 2 309.413 2.606 50 0 DFAALO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2ncc(C3CC3)o2)c1 ZINC000225729362 426610857 /nfs/dbraw/zinc/61/08/57/426610857.db2.gz OTVOIRMPLHBSOV-GDBMZVCRSA-N 1 2 314.385 2.869 50 0 DFAALO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2ncc(C3CC3)o2)c1 ZINC000225729362 426610860 /nfs/dbraw/zinc/61/08/60/426610860.db2.gz OTVOIRMPLHBSOV-GDBMZVCRSA-N 1 2 314.385 2.869 50 0 DFAALO CCc1ccc(C[NH+]2CCN(c3nc(C)cnc3C)CC2)o1 ZINC000216361524 426557063 /nfs/dbraw/zinc/55/70/63/426557063.db2.gz OUVNNHPOJGLUNX-UHFFFAOYSA-N 1 2 300.406 2.571 50 0 DFAALO C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000230082508 426644688 /nfs/dbraw/zinc/64/46/88/426644688.db2.gz WNCKXMYEMMSICF-ZTFGCOKTSA-N 1 2 310.397 2.675 50 0 DFAALO C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H](c2ccccc2)O1 ZINC000230082508 426644693 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C[C@@H](c1ccncn1)[N@@H+](C)CC(=O)NC1CCCCCCC1 ZINC000244700955 426723108 /nfs/dbraw/zinc/72/31/08/426723108.db2.gz JXEMFDSTBDIZQW-AWEZNQCLSA-N 1 2 304.438 2.699 50 0 DFAALO CN(Cc1c[nH+]cn1C1CC1)Cc1nnc(-c2ccccc2)o1 ZINC000244673600 426723890 /nfs/dbraw/zinc/72/38/90/426723890.db2.gz HSEYULJIXWARAZ-UHFFFAOYSA-N 1 2 309.373 2.900 50 0 DFAALO O=C(Cc1ccsc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245015180 426731314 /nfs/dbraw/zinc/73/13/14/426731314.db2.gz LPGDWFWZLFQOLR-UHFFFAOYSA-N 1 2 302.399 2.756 50 0 DFAALO Cc1nc(C)c(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000246059881 426792592 /nfs/dbraw/zinc/79/25/92/426792592.db2.gz BCNAIMLASQAXKQ-GXTWGEPZSA-N 1 2 316.492 2.548 50 0 DFAALO Cc1nc(C)c(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1 ZINC000246059881 426792597 /nfs/dbraw/zinc/79/25/97/426792597.db2.gz BCNAIMLASQAXKQ-GXTWGEPZSA-N 1 2 316.492 2.548 50 0 DFAALO Cn1c2c([nH+]c1[C@@H]1CCCN1c1ncc(F)cn1)CCCC2 ZINC000275621696 426881563 /nfs/dbraw/zinc/88/15/63/426881563.db2.gz MJIPWNBPOFURGA-AWEZNQCLSA-N 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CN(C[C@H]1CCCCO1)C(=O)c1cccc(-c2c[nH+]cn2C)c1 ZINC000426580977 257245946 /nfs/dbraw/zinc/24/59/46/257245946.db2.gz LRGVBBXPTHAIGZ-MRXNPFEDSA-N 1 2 313.401 2.728 50 0 DFAALO Cc1c[nH]c(CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000426526491 257247735 /nfs/dbraw/zinc/24/77/35/257247735.db2.gz UIVYEFSDTULCJO-UHFFFAOYSA-N 1 2 302.422 2.828 50 0 DFAALO CCSc1nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n[nH]1 ZINC000426533737 257247970 /nfs/dbraw/zinc/24/79/70/257247970.db2.gz FQMOWYQADPXMHF-GFCCVEGCSA-N 1 2 318.446 2.977 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)C(=O)NCc1nc(CC)cs1 ZINC000426420041 257251006 /nfs/dbraw/zinc/25/10/06/257251006.db2.gz IFOHLJXWHVPQJC-UHFFFAOYSA-N 1 2 321.450 2.561 50 0 DFAALO COC(=O)c1coc(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)n1 ZINC000408519602 257255540 /nfs/dbraw/zinc/25/55/40/257255540.db2.gz CGTAKQJZLMXUSB-MRXNPFEDSA-N 1 2 318.373 2.957 50 0 DFAALO COc1cccc(C(=O)Cn2cc(-c3ccccc3)n(C)c2=[NH2+])c1 ZINC000334157575 257261959 /nfs/dbraw/zinc/26/19/59/257261959.db2.gz 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/nfs/dbraw/zinc/90/60/16/184906016.db2.gz VBZAMGYOENDTCM-UHFFFAOYSA-N 1 2 320.418 2.589 50 0 DFAALO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1cccnc1 ZINC000223586325 542886420 /nfs/dbraw/zinc/88/64/20/542886420.db2.gz BNOGLCUZPAMMCF-UHFFFAOYSA-N 1 2 320.396 2.528 50 0 DFAALO Cc1ccc2[nH+]c3c(n2c1)[C@H](c1coc(C(C)C)n1)CC(=O)NC3 ZINC000065526909 292394073 /nfs/dbraw/zinc/39/40/73/292394073.db2.gz UXKUDRDCJRXSIJ-LBPRGKRZSA-N 1 2 324.384 2.906 50 0 DFAALO Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)n1C ZINC000053163569 425887071 /nfs/dbraw/zinc/88/70/71/425887071.db2.gz SXALOBMDDDDMPH-RMKNXTFCSA-N 1 2 323.440 2.805 50 0 DFAALO Cc1nc(-c2ccccc2)sc1C(=O)NCCn1cc[nH+]c1 ZINC000053253880 425887232 /nfs/dbraw/zinc/88/72/32/425887232.db2.gz UBZWCJXZWRRFSH-UHFFFAOYSA-N 1 2 312.398 2.745 50 0 DFAALO Fc1cccc(CN2CC[NH+](Cc3ccccn3)CC2)c1F ZINC000054187185 425889546 /nfs/dbraw/zinc/88/95/46/425889546.db2.gz WUOOEGRWAKBAJM-UHFFFAOYSA-N 1 2 303.356 2.678 50 0 DFAALO Cc1c[nH]c(CN(C)C(=O)[C@@H](C)Oc2cc(C)ccc2C)[nH+]1 ZINC000055109301 425892099 /nfs/dbraw/zinc/89/20/99/425892099.db2.gz CLCDCNFABGFUKS-CQSZACIVSA-N 1 2 301.390 2.761 50 0 DFAALO CC[C@@H](C)[N@H+](Cc1nccn1CCOC)Cc1cccnc1 ZINC000055182581 425892316 /nfs/dbraw/zinc/89/23/16/425892316.db2.gz ALMCBJJHSHFIIF-OAHLLOKOSA-N 1 2 302.422 2.725 50 0 DFAALO CC[C@@H](C)[N@@H+](Cc1nccn1CCOC)Cc1cccnc1 ZINC000055182581 425892317 /nfs/dbraw/zinc/89/23/17/425892317.db2.gz ALMCBJJHSHFIIF-OAHLLOKOSA-N 1 2 302.422 2.725 50 0 DFAALO O=C(NCCn1cc[nH+]c1)c1cccc(-c2ccc(O)cc2)c1 ZINC000055307426 425892809 /nfs/dbraw/zinc/89/28/09/425892809.db2.gz LBINNPAQRYPPDW-UHFFFAOYSA-N 1 2 307.353 2.686 50 0 DFAALO CC(C)c1cc(C[NH+]2CCC(O)(c3ccccn3)CC2)no1 ZINC000670434037 544039502 /nfs/dbraw/zinc/03/95/02/544039502.db2.gz JAFPJWDYPSXVHT-UHFFFAOYSA-N 1 2 301.390 2.677 50 0 DFAALO Cc1cc(C[N@H+](C)CC(=O)Nc2ccc(F)cc2C)ccn1 ZINC000670443007 544041011 /nfs/dbraw/zinc/04/10/11/544041011.db2.gz HTHPWMZKMNXXHJ-UHFFFAOYSA-N 1 2 301.365 2.908 50 0 DFAALO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccc(F)cc2C)ccn1 ZINC000670443007 544041013 /nfs/dbraw/zinc/04/10/13/544041013.db2.gz HTHPWMZKMNXXHJ-UHFFFAOYSA-N 1 2 301.365 2.908 50 0 DFAALO Cc1[nH]c2ccc(CC(=O)NC[C@@H](O)c3ccc(C)cc3)cc2[nH+]1 ZINC000670473354 544045645 /nfs/dbraw/zinc/04/56/45/544045645.db2.gz NOFGXSSYTNVFJR-GOSISDBHSA-N 1 2 323.396 2.572 50 0 DFAALO Cc1[nH]c2cc(CC(=O)NC[C@@H](O)c3ccc(C)cc3)ccc2[nH+]1 ZINC000670473354 544045648 /nfs/dbraw/zinc/04/56/48/544045648.db2.gz NOFGXSSYTNVFJR-GOSISDBHSA-N 1 2 323.396 2.572 50 0 DFAALO C[N@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc2nonc2c1 ZINC000055371271 425893222 /nfs/dbraw/zinc/89/32/22/425893222.db2.gz QFMHKAYFRDSTQC-UHFFFAOYSA-N 1 2 321.340 2.905 50 0 DFAALO C[N@@H+](Cc1nc(-c2ccccc2)no1)Cc1ccc2nonc2c1 ZINC000055371271 425893223 /nfs/dbraw/zinc/89/32/23/425893223.db2.gz QFMHKAYFRDSTQC-UHFFFAOYSA-N 1 2 321.340 2.905 50 0 DFAALO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000055564249 425894249 /nfs/dbraw/zinc/89/42/49/425894249.db2.gz DSGOOQHKJYYYLU-MRXNPFEDSA-N 1 2 309.413 2.836 50 0 DFAALO COCc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000055696955 425894443 /nfs/dbraw/zinc/89/44/43/425894443.db2.gz KDCASSMLSYDMJZ-UHFFFAOYSA-N 1 2 321.380 2.949 50 0 DFAALO C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057355226 425896425 /nfs/dbraw/zinc/89/64/25/425896425.db2.gz LXIWBSUDFMVUAQ-CYBMUJFWSA-N 1 2 323.868 2.765 50 0 DFAALO Cc1ncc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000058407069 425897926 /nfs/dbraw/zinc/89/79/26/425897926.db2.gz JAEKUDFQSXDAMC-AWEZNQCLSA-N 1 2 301.415 2.580 50 0 DFAALO Cc1ncc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000058407069 425897927 /nfs/dbraw/zinc/89/79/27/425897927.db2.gz JAEKUDFQSXDAMC-AWEZNQCLSA-N 1 2 301.415 2.580 50 0 DFAALO CCc1nn(C)c(Cl)c1C[N@@H+](CC)Cc1cnn(CC)c1 ZINC000063868490 425901136 /nfs/dbraw/zinc/90/11/36/425901136.db2.gz QDVIRNFDMPADBC-UHFFFAOYSA-N 1 2 309.845 2.874 50 0 DFAALO CCc1nn(C)c(Cl)c1C[N@H+](CC)Cc1cnn(CC)c1 ZINC000063868490 425901137 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O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[NH+](C2CCCC2)CC1 ZINC000020856528 275010503 /nfs/dbraw/zinc/01/05/03/275010503.db2.gz HTIDQTCIHLRRNQ-UHFFFAOYSA-N 1 2 324.428 2.777 50 0 DFAALO Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)Cc1ccc(C)o1)CCC2 ZINC000367209005 429596778 /nfs/dbraw/zinc/59/67/78/429596778.db2.gz YVQLWKYDLSJXBQ-AWEZNQCLSA-N 1 2 316.405 2.812 50 0 DFAALO CNc1[nH+]cnc2c1c(C)nn2-c1ccc(Br)cc1 ZINC000041474574 277305901 /nfs/dbraw/zinc/30/59/01/277305901.db2.gz BDDDFJXIKBYEHY-UHFFFAOYSA-N 1 2 318.178 2.928 50 0 DFAALO CC(=O)Nc1nc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cs1 ZINC000089265671 278214059 /nfs/dbraw/zinc/21/40/59/278214059.db2.gz AMUZFJRTKCHVIW-GFCCVEGCSA-N 1 2 305.407 2.552 50 0 DFAALO O=C([C@H]1C[C@H]1c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000075123046 280152077 /nfs/dbraw/zinc/15/20/77/280152077.db2.gz ZDWSQDMWBKJDCQ-OALUTQOASA-N 1 2 321.424 2.530 50 0 DFAALO CC1(C)C[C@]1(C(=O)N1CCn2c[nH+]cc2C1)c1cccs1 ZINC000072128268 281368346 /nfs/dbraw/zinc/36/83/46/281368346.db2.gz 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316061391 /nfs/dbraw/zinc/06/13/91/316061391.db2.gz ULFJCRKVAIEFEI-CYBMUJFWSA-N 1 2 305.378 2.596 50 0 DFAALO FC(F)(F)Cn1cc[nH+]c1CNc1nnc(-c2ccncc2)o1 ZINC000184890048 316176276 /nfs/dbraw/zinc/17/62/76/316176276.db2.gz RWGROSVTPLMNRB-UHFFFAOYSA-N 1 2 324.266 2.503 50 0 DFAALO C[C@@H]([NH2+]C1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C ZINC000090451924 323208737 /nfs/dbraw/zinc/20/87/37/323208737.db2.gz PEXWJUOQDGYENE-CQSZACIVSA-N 1 2 304.434 2.975 50 0 DFAALO Cn1nccc1CNc1cccc(-c2ccc3c(c2)OCCO3)[nH+]1 ZINC000162302556 323215842 /nfs/dbraw/zinc/21/58/42/323215842.db2.gz ZQDIFZLHSBPCPE-UHFFFAOYSA-N 1 2 322.368 2.865 50 0 DFAALO FC(F)(F)c1ccn(C2CC[NH+](Cc3cocn3)CC2)n1 ZINC000191114123 323233861 /nfs/dbraw/zinc/23/38/61/323233861.db2.gz KNDWHQHDMQKTIM-UHFFFAOYSA-N 1 2 300.284 2.727 50 0 DFAALO CC(C)=CCN1CC2(CC1=O)CCN(c1cc[nH+]c(C)n1)CC2 ZINC000091254863 332102225 /nfs/dbraw/zinc/10/22/25/332102225.db2.gz GQIZJBGVSCWALO-UHFFFAOYSA-N 1 2 314.433 2.570 50 0 DFAALO 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/nfs/dbraw/zinc/35/40/40/185354040.db2.gz WNBTZMZHXYNRAD-MRXNPFEDSA-N 1 2 324.384 2.888 50 0 DFAALO Cc1[nH+]c2ccccn2c1Cn1nc(-c2ccccc2)ccc1=O ZINC000095401586 185354525 /nfs/dbraw/zinc/35/45/25/185354525.db2.gz YTCMNIAPKPUBTG-UHFFFAOYSA-N 1 2 316.364 2.915 50 0 DFAALO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000095406274 185356030 /nfs/dbraw/zinc/35/60/30/185356030.db2.gz XTSCXCVHAVQLBS-CYBMUJFWSA-N 1 2 317.437 2.589 50 0 DFAALO Cn1c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nnc1C1CC1 ZINC000095396590 185353083 /nfs/dbraw/zinc/35/30/83/185353083.db2.gz MNKKTVPZBSLEDJ-UHFFFAOYSA-N 1 2 312.417 2.810 50 0 DFAALO Cn1c(C[N@H+](Cc2cccc(O)c2)CC2CC2)nnc1C1CC1 ZINC000095396590 185353084 /nfs/dbraw/zinc/35/30/84/185353084.db2.gz MNKKTVPZBSLEDJ-UHFFFAOYSA-N 1 2 312.417 2.810 50 0 DFAALO Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1nnc3n1CCC3)CCCO2 ZINC000095419878 185360073 /nfs/dbraw/zinc/36/00/73/185360073.db2.gz XLFMVWQMVGOMQN-HNNXBMFYSA-N 1 2 312.417 2.845 50 0 DFAALO CC(=O)N1CCN(c2ccccc2CNc2c[nH+]cc(C)c2)CC1 ZINC000095430903 185363177 /nfs/dbraw/zinc/36/31/77/185363177.db2.gz ZMJCLDDYIJXHEP-UHFFFAOYSA-N 1 2 324.428 2.671 50 0 DFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000082156832 192362926 /nfs/dbraw/zinc/36/29/26/192362926.db2.gz FFYYBAYMZUXJMZ-LLVKDONJSA-N 1 2 305.328 2.718 50 0 DFAALO Cc1ccc(NC(=O)NCCc2ccncc2C)c(N(C)C)[nH+]1 ZINC000095437972 185365664 /nfs/dbraw/zinc/36/56/64/185365664.db2.gz XEALJFXQEPBRHG-UHFFFAOYSA-N 1 2 313.405 2.524 50 0 DFAALO Cc1cc(C)c(CCNC(=O)N(C)Cc2[nH]cc[nH+]2)c(C)c1 ZINC000584891756 398428415 /nfs/dbraw/zinc/42/84/15/398428415.db2.gz MVBNKYVAGZDHHH-UHFFFAOYSA-N 1 2 300.406 2.719 50 0 DFAALO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069699233 190804930 /nfs/dbraw/zinc/80/49/30/190804930.db2.gz MUBUQUOPDDKGQH-OAHLLOKOSA-N 1 2 308.385 2.771 50 0 DFAALO CN(C[C@H]1CCn2cc[nH+]c2C1)C(=O)c1cc2ccccc2[nH]1 ZINC000328630826 398567500 /nfs/dbraw/zinc/56/75/00/398567500.db2.gz 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ZINC000072276082 191098788 /nfs/dbraw/zinc/09/87/88/191098788.db2.gz RNOUTTLTIYEZPJ-JTQLQIEISA-N 1 2 324.837 2.765 50 0 DFAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1csc2c1CCCC2 ZINC000072278523 191099524 /nfs/dbraw/zinc/09/95/24/191099524.db2.gz IRZBTCLZOSTXOE-NSHDSACASA-N 1 2 301.415 2.568 50 0 DFAALO COc1c(C)c[nH+]c(Cn2cncc(-c3ccccc3)c2=O)c1C ZINC000253396525 186304782 /nfs/dbraw/zinc/30/47/82/186304782.db2.gz BGUZZWCSRBZZNP-UHFFFAOYSA-N 1 2 321.380 2.979 50 0 DFAALO COc1ncccc1NC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000072305795 191117582 /nfs/dbraw/zinc/11/75/82/191117582.db2.gz KJELZFFHBPRZTE-UHFFFAOYSA-N 1 2 309.329 2.920 50 0 DFAALO COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccncc2)o1 ZINC000097370635 398667021 /nfs/dbraw/zinc/66/70/21/398667021.db2.gz KHUWYWKVMRUPDP-GFCCVEGCSA-N 1 2 310.357 2.991 50 0 DFAALO Cc1ccsc1C(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000097378947 398667960 /nfs/dbraw/zinc/66/79/60/398667960.db2.gz QNQMIUDUKRNBAE-CQSZACIVSA-N 1 2 315.442 2.971 50 0 DFAALO Cc1cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c(C)o1 ZINC000097379073 398668873 /nfs/dbraw/zinc/66/88/73/398668873.db2.gz NAQWNKLQQNPWLO-MRXNPFEDSA-N 1 2 307.415 2.772 50 0 DFAALO CCc1cc(NCC2(Cn3cc[nH+]c3)CC2)n2nc(C)c(C)c2n1 ZINC000072422899 191159085 /nfs/dbraw/zinc/15/90/85/191159085.db2.gz PVFGNYNHFJJALO-UHFFFAOYSA-N 1 2 324.432 2.997 50 0 DFAALO O=C([O-])C1(n2cc[nH+]c2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000072432907 191163923 /nfs/dbraw/zinc/16/39/23/191163923.db2.gz HZMOSFOJMOCYOM-UHFFFAOYSA-N 1 2 322.368 2.512 50 0 DFAALO Cc1ccccc1-n1nnn(C[NH+]2CCC(C)CC2)c1=S ZINC000003298107 181001657 /nfs/dbraw/zinc/00/16/57/181001657.db2.gz VWLDZDTVGUDNSJ-UHFFFAOYSA-N 1 2 303.435 2.796 50 0 DFAALO CCC(CC)C(=O)c1c[nH]c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000004024699 181063963 /nfs/dbraw/zinc/06/39/63/181063963.db2.gz TUDXETPSLGROJO-UHFFFAOYSA-N 1 2 316.405 2.650 50 0 DFAALO C[C@H]1CCC[N@H+](Cc2nccn2C)[C@H]1CNC(=O)OC(C)(C)C ZINC000110659036 398722357 /nfs/dbraw/zinc/72/23/57/398722357.db2.gz 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191384759 /nfs/dbraw/zinc/38/47/59/191384759.db2.gz WFTMWEUJOLYJHZ-STQMWFEESA-N 1 2 310.467 2.830 50 0 DFAALO Cc1nc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)sc1C ZINC000074919340 191386591 /nfs/dbraw/zinc/38/65/91/191386591.db2.gz LUZRMPNSMGNIPL-GFCCVEGCSA-N 1 2 319.434 2.572 50 0 DFAALO Cn1ncc2c1nc[nH+]c2Nc1cc(Cl)c(N)c(Cl)c1 ZINC000005346389 181232495 /nfs/dbraw/zinc/23/24/95/181232495.db2.gz XHVMEZWFEIYCMJ-UHFFFAOYSA-N 1 2 309.160 2.996 50 0 DFAALO CN(C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CCC1 ZINC000074869437 398772878 /nfs/dbraw/zinc/77/28/78/398772878.db2.gz DUJWGFDIJYVZST-INIZCTEOSA-N 1 2 312.417 2.898 50 0 DFAALO Cc1ccc2[nH+]c(CSc3nnc4nc(C)cc(C)n43)cn2c1 ZINC000005903750 181294652 /nfs/dbraw/zinc/29/46/52/181294652.db2.gz HZACTBYBDLUEII-UHFFFAOYSA-N 1 2 324.413 2.990 50 0 DFAALO CCCc1noc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CC)n1 ZINC000076046990 398835229 /nfs/dbraw/zinc/83/52/29/398835229.db2.gz CAXAIKDBLREWSP-DGCLKSJQSA-N 1 2 303.410 2.967 50 0 DFAALO CC(C)[C@H](CNc1nc2ccccc2o1)N1CC[NH+](C)CC1 ZINC000051654854 425883024 /nfs/dbraw/zinc/88/30/24/425883024.db2.gz WSXCRTQRRXYUEW-HNNXBMFYSA-N 1 2 302.422 2.512 50 0 DFAALO COc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000006552941 181354180 /nfs/dbraw/zinc/35/41/80/181354180.db2.gz DKAGNVSJULXQCG-UHFFFAOYSA-N 1 2 302.349 2.905 50 0 DFAALO COc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000006552941 181354181 /nfs/dbraw/zinc/35/41/81/181354181.db2.gz DKAGNVSJULXQCG-UHFFFAOYSA-N 1 2 302.349 2.905 50 0 DFAALO Cc1[nH]nc2ncc(NCc3[nH+]ccn3CC(F)(F)F)cc12 ZINC000170604586 399009555 /nfs/dbraw/zinc/00/95/55/399009555.db2.gz JKXMDFZRHVDBSE-UHFFFAOYSA-N 1 2 310.283 2.637 50 0 DFAALO Cn1c(SCc2cn3ccccc3[nH+]2)nnc1-c1ccccn1 ZINC000006700509 181373111 /nfs/dbraw/zinc/37/31/11/181373111.db2.gz ABGVCMIJNIWXSJ-UHFFFAOYSA-N 1 2 322.397 2.817 50 0 DFAALO Cn1cc([C@]2(C)C[N@H+](Cc3ccc(O)c(Cl)c3)CCO2)cn1 ZINC000092016407 193143243 /nfs/dbraw/zinc/14/32/43/193143243.db2.gz MVCKNBHZIDBSEO-INIZCTEOSA-N 1 2 321.808 2.527 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CCc1ccc(C[N@H+]2CCc3c(C(=O)NC)csc3C2)nc1 ZINC000426574744 257246246 /nfs/dbraw/zinc/24/62/46/257246246.db2.gz NXKSJGSULBBFAY-UHFFFAOYSA-N 1 2 315.442 2.623 50 0 DFAALO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000069667968 184835240 /nfs/dbraw/zinc/83/52/40/184835240.db2.gz NZZQWKSWRSTVRO-UONOGXRCSA-N 1 2 323.318 2.964 50 0 DFAALO Cc1cccnc1[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000071909191 184900512 /nfs/dbraw/zinc/90/05/12/184900512.db2.gz KNIIPCDGLZPQPZ-GJZGRUSLSA-N 1 2 315.421 2.672 50 0 DFAALO CC(C)Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)no1 ZINC000215818683 542874102 /nfs/dbraw/zinc/87/41/02/542874102.db2.gz WLKHQAXIVZPUJV-LBPRGKRZSA-N 1 2 302.378 2.616 50 0 DFAALO CCC[C@@H](NC(=O)CSc1ccncc1)c1[nH+]ccn1C ZINC000299758819 543044262 /nfs/dbraw/zinc/04/42/62/543044262.db2.gz PXJOSLCFASEKEY-CYBMUJFWSA-N 1 2 304.419 2.565 50 0 DFAALO CCCn1cc[nH+]c1CNC(=O)Nc1ccc(C(C)=O)cc1 ZINC000299764170 543044286 /nfs/dbraw/zinc/04/42/86/543044286.db2.gz 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322.412 2.831 50 0 DFAALO COc1cc(C[NH2+]Cc2csc(C)n2)cc2c1OCCO2 ZINC000040443849 331901985 /nfs/dbraw/zinc/90/19/85/331901985.db2.gz YDZZRBBRGVTXPV-UHFFFAOYSA-N 1 2 306.387 2.521 50 0 DFAALO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2ncccc2O)cc1 ZINC000097165485 332193370 /nfs/dbraw/zinc/19/33/70/332193370.db2.gz LENYULCNRBTBDI-UHFFFAOYSA-N 1 2 308.341 2.593 50 0 DFAALO O=C(NCCCc1ccco1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000534634151 334308635 /nfs/dbraw/zinc/30/86/35/334308635.db2.gz SGGGALYVLJAHAA-CYBMUJFWSA-N 1 2 302.378 2.525 50 0 DFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)N1CC(c2cccnc2)C1 ZINC000095530536 185378945 /nfs/dbraw/zinc/37/89/45/185378945.db2.gz ILMDLSNEIGQKMH-UHFFFAOYSA-N 1 2 318.380 2.571 50 0 DFAALO COc1ccc(CCNC(=O)Nc2cc[nH+]c(C)c2)cc1OC ZINC000096713148 185385834 /nfs/dbraw/zinc/38/58/34/185385834.db2.gz PGWKVONJPHMOJB-UHFFFAOYSA-N 1 2 315.373 2.771 50 0 DFAALO CCCc1cc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)no1 ZINC000082161385 185174015 /nfs/dbraw/zinc/17/40/15/185174015.db2.gz QIYCCLCBLUNMAU-UHFFFAOYSA-N 1 2 315.373 2.706 50 0 DFAALO C[N@H+](Cc1cc(F)ccc1Cl)CC(C)(C)S(C)(=O)=O ZINC000225463224 398349253 /nfs/dbraw/zinc/34/92/53/398349253.db2.gz JKXANTUYRLOTQA-UHFFFAOYSA-N 1 2 307.818 2.734 50 0 DFAALO C[N@@H+](Cc1cc(F)ccc1Cl)CC(C)(C)S(C)(=O)=O ZINC000225463224 398349257 /nfs/dbraw/zinc/34/92/57/398349257.db2.gz JKXANTUYRLOTQA-UHFFFAOYSA-N 1 2 307.818 2.734 50 0 DFAALO CN(C)c1ccc(NC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cn1 ZINC000088360498 185247096 /nfs/dbraw/zinc/24/70/96/185247096.db2.gz YOWYVPGUSBBAJS-CYBMUJFWSA-N 1 2 314.393 2.630 50 0 DFAALO CC(C)c1cc(NC[C@](C)(O)c2cnn(C)c2)nc(C(C)C)[nH+]1 ZINC000090094883 185281788 /nfs/dbraw/zinc/28/17/88/185281788.db2.gz ZTHDUCIWJZMLIY-KRWDZBQOSA-N 1 2 317.437 2.777 50 0 DFAALO Cc1ccc2[nH]c(SCCCN3CC[NH+](C)CC3)nc2c1 ZINC000181302184 199279488 /nfs/dbraw/zinc/27/94/88/199279488.db2.gz GPGRUQNYGNKJMS-UHFFFAOYSA-N 1 2 304.463 2.601 50 0 DFAALO Cc1ccc2nc(SCCCN3CC[NH+](C)CC3)[nH]c2c1 ZINC000181302184 199279490 /nfs/dbraw/zinc/27/94/90/199279490.db2.gz GPGRUQNYGNKJMS-UHFFFAOYSA-N 1 2 304.463 2.601 50 0 DFAALO Cc1ccc2[nH]c(SCCC[NH+]3CCN(C)CC3)nc2c1 ZINC000181302184 199279492 /nfs/dbraw/zinc/27/94/92/199279492.db2.gz GPGRUQNYGNKJMS-UHFFFAOYSA-N 1 2 304.463 2.601 50 0 DFAALO Cc1ccc2nc(SCCC[NH+]3CCN(C)CC3)[nH]c2c1 ZINC000181302184 199279493 /nfs/dbraw/zinc/27/94/93/199279493.db2.gz GPGRUQNYGNKJMS-UHFFFAOYSA-N 1 2 304.463 2.601 50 0 DFAALO Cc1cn2cc(C(=O)N(C)CC[C@H](O)c3ccccc3)ccc2[nH+]1 ZINC000082109491 192357609 /nfs/dbraw/zinc/35/76/09/192357609.db2.gz MSOSJBHSQCGMTL-KRWDZBQOSA-N 1 2 323.396 2.838 50 0 DFAALO CCCCN(CCCCO)C(=O)c1ccc2[nH+]c(C)cn2c1 ZINC000082109617 192357635 /nfs/dbraw/zinc/35/76/35/192357635.db2.gz PZYBSSOOHSYCDJ-UHFFFAOYSA-N 1 2 303.406 2.658 50 0 DFAALO CCCCNC(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000082137093 192360851 /nfs/dbraw/zinc/36/08/51/192360851.db2.gz JJNRWXVDVSFVDM-UHFFFAOYSA-N 1 2 304.438 2.982 50 0 DFAALO Cc1ccc(C[NH2+]Cc2nnc3n2CCC[C@H]3C(F)(F)F)o1 ZINC000095402048 185354452 /nfs/dbraw/zinc/35/44/52/185354452.db2.gz GIBHOPOVJMDSCQ-LLVKDONJSA-N 1 2 314.311 2.909 50 0 DFAALO C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccn2cc[nH+]c2c1 ZINC000095445848 185367596 /nfs/dbraw/zinc/36/75/96/185367596.db2.gz GMNLTBJTEWMGRZ-CYBMUJFWSA-N 1 2 309.369 2.791 50 0 DFAALO Cn1cc[nH+]c1CNc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000097022379 185398412 /nfs/dbraw/zinc/39/84/12/185398412.db2.gz LVSLIRTXMIWBHF-UHFFFAOYSA-N 1 2 301.781 2.930 50 0 DFAALO CCc1c(C)sc2ncn([C@@H](C)c3[nH]c(C)c[nH+]3)c(=O)c21 ZINC000584887777 398426212 /nfs/dbraw/zinc/42/62/12/398426212.db2.gz RWGZVOMVNGRRQI-VIFPVBQESA-N 1 2 302.403 2.970 50 0 DFAALO COc1cccc(-n2cc(CN(C)Cc3[nH]c[nH+]c3C)cn2)c1 ZINC000067974797 190740906 /nfs/dbraw/zinc/74/09/06/190740906.db2.gz WMZVCDFAQSIFHN-UHFFFAOYSA-N 1 2 311.389 2.544 50 0 DFAALO O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917635 190837395 /nfs/dbraw/zinc/83/73/95/190837395.db2.gz DWGFBUBJWRSVSF-YESZJQIVSA-N 1 2 313.376 2.989 50 0 DFAALO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cc2ccccc2[nH]1 ZINC000328630825 398567939 /nfs/dbraw/zinc/56/79/39/398567939.db2.gz QGDDWHJTEGJGES-CYBMUJFWSA-N 1 2 308.385 2.699 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 ZINC000328639854 398568806 /nfs/dbraw/zinc/56/88/06/398568806.db2.gz PRXDVJAIIVMZKY-INWMFGNUSA-N 1 2 316.405 2.588 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@@H+](Cc2ccc([C@H]3C[C@H]3C)o2)CCO1 ZINC000328639854 398568808 /nfs/dbraw/zinc/56/88/08/398568808.db2.gz PRXDVJAIIVMZKY-INWMFGNUSA-N 1 2 316.405 2.588 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 ZINC000328639855 398568594 /nfs/dbraw/zinc/56/85/94/398568594.db2.gz PRXDVJAIIVMZKY-NOLJZWGESA-N 1 2 316.405 2.588 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)CCO1 ZINC000328639855 398568600 /nfs/dbraw/zinc/56/86/00/398568600.db2.gz PRXDVJAIIVMZKY-NOLJZWGESA-N 1 2 316.405 2.588 50 0 DFAALO O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000065538677 295798441 /nfs/dbraw/zinc/79/84/41/295798441.db2.gz KYSXNVXJRMWWRR-SDDRHHMPSA-N 1 2 315.339 2.683 50 0 DFAALO Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2nc(C3CC3)no2)n1 ZINC000070006100 398591072 /nfs/dbraw/zinc/59/10/72/398591072.db2.gz ZCQOBOISZVPGLL-OAHLLOKOSA-N 1 2 315.421 2.815 50 0 DFAALO Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2nc(C3CC3)no2)n1 ZINC000070006100 398591076 /nfs/dbraw/zinc/59/10/76/398591076.db2.gz ZCQOBOISZVPGLL-OAHLLOKOSA-N 1 2 315.421 2.815 50 0 DFAALO CN1C[C@@]2(CCC[N@H+](Cc3nc4ccccc4s3)C2)OC1=O ZINC000072134420 191047106 /nfs/dbraw/zinc/04/71/06/191047106.db2.gz LZZPNMHYDXOBGP-MRXNPFEDSA-N 1 2 317.414 2.713 50 0 DFAALO CN1C[C@@]2(CCC[N@@H+](Cc3nc4ccccc4s3)C2)OC1=O ZINC000072134420 191047109 /nfs/dbraw/zinc/04/71/09/191047109.db2.gz LZZPNMHYDXOBGP-MRXNPFEDSA-N 1 2 317.414 2.713 50 0 DFAALO O=C(NCCc1c[nH+]c[nH]1)c1csc(-c2cccs2)n1 ZINC000072126698 191043842 /nfs/dbraw/zinc/04/38/42/191043842.db2.gz YTNYPKGLBJBBTM-UHFFFAOYSA-N 1 2 304.400 2.567 50 0 DFAALO O=C(NCCc1c[nH]c[nH+]1)c1csc(-c2cccs2)n1 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ZINC000052749794 183869909 /nfs/dbraw/zinc/86/99/09/183869909.db2.gz ILXYMJOYOSNSPI-ZDUSSCGKSA-N 1 2 308.385 2.867 50 0 DFAALO CCCc1nc(C)c(C(=O)NCCCCn2cc[nH+]c2)s1 ZINC000056986373 184023625 /nfs/dbraw/zinc/02/36/25/184023625.db2.gz NZOAJIGOFVNGIK-UHFFFAOYSA-N 1 2 306.435 2.811 50 0 DFAALO Cc1cccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3c3cccn3C)nc12 ZINC000057364709 184036413 /nfs/dbraw/zinc/03/64/13/184036413.db2.gz QKRSOECPRQHKIF-INIZCTEOSA-N 1 2 322.412 2.907 50 0 DFAALO Cc1cccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3c3cccn3C)nc12 ZINC000057364709 184036415 /nfs/dbraw/zinc/03/64/15/184036415.db2.gz QKRSOECPRQHKIF-INIZCTEOSA-N 1 2 322.412 2.907 50 0 DFAALO O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058209125 184088351 /nfs/dbraw/zinc/08/83/51/184088351.db2.gz JMGWNHIRWBVOOM-HOTGVXAUSA-N 1 2 304.353 2.553 50 0 DFAALO O=C(C[N@@H+]1CCn2cccc2[C@H]1c1ccccc1)NC1CCCC1 ZINC000058754087 184128091 /nfs/dbraw/zinc/12/80/91/184128091.db2.gz LTLFMKYHFNOXLG-HXUWFJFHSA-N 1 2 323.440 2.952 50 0 DFAALO O=C(C[N@H+]1CCn2cccc2[C@H]1c1ccccc1)NC1CCCC1 ZINC000058754087 184128092 /nfs/dbraw/zinc/12/80/92/184128092.db2.gz LTLFMKYHFNOXLG-HXUWFJFHSA-N 1 2 323.440 2.952 50 0 DFAALO CCSc1ccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)cn1 ZINC000058437909 184118445 /nfs/dbraw/zinc/11/84/45/184118445.db2.gz HIISBQFDAXUDKC-LLVKDONJSA-N 1 2 305.407 2.600 50 0 DFAALO COc1ccccc1C[C@H]1CCCN1c1[nH+]cnc2c1cnn2C ZINC000058545725 184121865 /nfs/dbraw/zinc/12/18/65/184121865.db2.gz OIJKNLZRKUHPFJ-CQSZACIVSA-N 1 2 323.400 2.583 50 0 DFAALO COc1cccc(CNc2nc(-n3nc(C)cc3C)cc[nH+]2)c1 ZINC000065240338 184317164 /nfs/dbraw/zinc/31/71/64/184317164.db2.gz SCNDXTMIBVEALF-UHFFFAOYSA-N 1 2 309.373 2.900 50 0 DFAALO Cc1nc(C[N@H+](Cc2cccc(-n3cccn3)c2)C(C)C)no1 ZINC000065370481 184329600 /nfs/dbraw/zinc/32/96/00/184329600.db2.gz TXLSNFUYYLBDBG-UHFFFAOYSA-N 1 2 311.389 2.974 50 0 DFAALO Cc1nc(C[N@@H+](Cc2cccc(-n3cccn3)c2)C(C)C)no1 ZINC000065370481 184329602 /nfs/dbraw/zinc/32/96/02/184329602.db2.gz TXLSNFUYYLBDBG-UHFFFAOYSA-N 1 2 311.389 2.974 50 0 DFAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1CCNC(C)=O ZINC000065408633 184339027 /nfs/dbraw/zinc/33/90/27/184339027.db2.gz QAMMQSNAFXVDRQ-UHFFFAOYSA-N 1 2 323.400 2.570 50 0 DFAALO Cc1ncc(C(=O)NCCn2c(C)[nH+]c3ccccc32)s1 ZINC000065414135 184340740 /nfs/dbraw/zinc/34/07/40/184340740.db2.gz HULKJVDLNCMWFQ-UHFFFAOYSA-N 1 2 300.387 2.540 50 0 DFAALO Cc1noc(C)c1C[NH2+][C@H](C(=O)N1CCCC1)c1ccccc1 ZINC000065539964 184363439 /nfs/dbraw/zinc/36/34/39/184363439.db2.gz GNDREXGJFMJNLX-KRWDZBQOSA-N 1 2 313.401 2.745 50 0 DFAALO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000065625135 184375232 /nfs/dbraw/zinc/37/52/32/184375232.db2.gz KWZFEGIQCUEHLC-CQSZACIVSA-N 1 2 321.384 2.770 50 0 DFAALO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1 ZINC000065625137 184375552 /nfs/dbraw/zinc/37/55/52/184375552.db2.gz KWZFEGIQCUEHLC-AWEZNQCLSA-N 1 2 321.384 2.770 50 0 DFAALO Fc1ccc([C@H]2C[N@H+](CCn3cccn3)CCO2)cc1Cl ZINC000066844806 542458631 /nfs/dbraw/zinc/45/86/31/542458631.db2.gz MILZRNDVLXBKGL-OAHLLOKOSA-N 1 2 309.772 2.749 50 0 DFAALO Fc1ccc([C@H]2C[N@@H+](CCn3cccn3)CCO2)cc1Cl ZINC000066844806 542458636 /nfs/dbraw/zinc/45/86/36/542458636.db2.gz MILZRNDVLXBKGL-OAHLLOKOSA-N 1 2 309.772 2.749 50 0 DFAALO O=C(CC1(Cn2cccc2)CCCCC1)NCCc1c[nH+]c[nH]1 ZINC000524733605 257214014 /nfs/dbraw/zinc/21/40/14/257214014.db2.gz YBKRLOOXYMRMHD-UHFFFAOYSA-N 1 2 314.433 2.911 50 0 DFAALO O=C(CC1(Cn2cccc2)CCCCC1)NCCc1c[nH]c[nH+]1 ZINC000524733605 257214016 /nfs/dbraw/zinc/21/40/16/257214016.db2.gz YBKRLOOXYMRMHD-UHFFFAOYSA-N 1 2 314.433 2.911 50 0 DFAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1nc2ccccc2[nH]1 ZINC000426602436 257245091 /nfs/dbraw/zinc/24/50/91/257245091.db2.gz JODLHAWPNWEJLN-CQSZACIVSA-N 1 2 311.389 2.604 50 0 DFAALO Cc1ccc2[nH]c(CCCNC(=O)[C@]3(C)CCCO3)[nH+]c2c1C ZINC000426580903 257246349 /nfs/dbraw/zinc/24/63/49/257246349.db2.gz BYTNWWZCBJYOGU-SFHVURJKSA-N 1 2 315.417 2.798 50 0 DFAALO Cc1[nH+]c2ccccn2c1CC(=O)N1CCOc2ccccc2C1 ZINC000426545490 257247063 /nfs/dbraw/zinc/24/70/63/257247063.db2.gz VPJNRWALSLLFNA-UHFFFAOYSA-N 1 2 321.380 2.606 50 0 DFAALO Cc1cc(C)n(C2CN(C(=O)c3ccc(-c4c[nH]c[nH+]4)cc3)C2)n1 ZINC000426401620 257251531 /nfs/dbraw/zinc/25/15/31/257251531.db2.gz COMGDIIEMGSALQ-UHFFFAOYSA-N 1 2 321.384 2.587 50 0 DFAALO O=C(c1nc2ccccc2[nH]1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000426372124 257253061 /nfs/dbraw/zinc/25/30/61/257253061.db2.gz PQUMEBXKOQITFP-CQSZACIVSA-N 1 2 323.400 2.844 50 0 DFAALO O=C(NC1CC1)c1noc([C@@H]2CCC[N@@H+]2CC2=CCCCC2)n1 ZINC000408519689 257255711 /nfs/dbraw/zinc/25/57/11/257255711.db2.gz RBPDHZJVUHUYQG-AWEZNQCLSA-N 1 2 316.405 2.599 50 0 DFAALO O=C(NC1CC1)c1noc([C@@H]2CCC[N@H+]2CC2=CCCCC2)n1 ZINC000408519689 257255713 /nfs/dbraw/zinc/25/57/13/257255713.db2.gz RBPDHZJVUHUYQG-AWEZNQCLSA-N 1 2 316.405 2.599 50 0 DFAALO CS(=O)(=O)CCC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000408513163 257256191 /nfs/dbraw/zinc/25/61/91/257256191.db2.gz UANNWIDJLZPWLB-UHFFFAOYSA-N 1 2 311.422 2.740 50 0 DFAALO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCc2occc21 ZINC000170088909 542756479 /nfs/dbraw/zinc/75/64/79/542756479.db2.gz HDMCQUVOUGMZNY-CHWSQXEVSA-N 1 2 302.378 2.520 50 0 DFAALO COc1cc(C[NH+]2CCN(c3cccnc3)CC2)ccc1F ZINC000216064924 542874557 /nfs/dbraw/zinc/87/45/57/542874557.db2.gz LUHSEECOJLOGDS-UHFFFAOYSA-N 1 2 301.365 2.552 50 0 DFAALO Cn1cc(C[N@H+](C)Cc2cnn(-c3ccccc3Cl)c2)cn1 ZINC000215892721 542873587 /nfs/dbraw/zinc/87/35/87/542873587.db2.gz HAEJTPWGVNEVSO-UHFFFAOYSA-N 1 2 315.808 2.891 50 0 DFAALO Cn1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3Cl)c2)cn1 ZINC000215892721 542873588 /nfs/dbraw/zinc/87/35/88/542873588.db2.gz HAEJTPWGVNEVSO-UHFFFAOYSA-N 1 2 315.808 2.891 50 0 DFAALO COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000221860550 542882909 /nfs/dbraw/zinc/88/29/09/542882909.db2.gz SPRGYPRTERYQJB-WBVHZDCISA-N 1 2 313.401 2.743 50 0 DFAALO C/C=C\C[S@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000221840524 542882762 /nfs/dbraw/zinc/88/27/62/542882762.db2.gz SFHMRAZLCAEITD-KYVUIXNKSA-N 1 2 313.220 2.922 50 0 DFAALO COC(=O)[C@H](c1ccccc1C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000221860550 542882906 /nfs/dbraw/zinc/88/29/06/542882906.db2.gz SPRGYPRTERYQJB-WBVHZDCISA-N 1 2 313.401 2.743 50 0 DFAALO Cc1c[nH+]c(C)nc1N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000223553573 542886454 /nfs/dbraw/zinc/88/64/54/542886454.db2.gz LRCCPFSDOZPNNQ-SJORKVTESA-N 1 2 313.401 2.880 50 0 DFAALO Cn1ncc2c1nc[nH+]c2N(Cc1ccc(F)cc1F)C1CC1 ZINC000052447142 425884510 /nfs/dbraw/zinc/88/45/10/425884510.db2.gz ZKQMEHBAIPVORX-UHFFFAOYSA-N 1 2 315.327 2.811 50 0 DFAALO CCCOCc1ccccc1CNc1[nH+]cnc2c1cnn2C ZINC000052428704 425884532 /nfs/dbraw/zinc/88/45/32/425884532.db2.gz XPEJKYRCJKPSOC-UHFFFAOYSA-N 1 2 311.389 2.902 50 0 DFAALO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)c3nc(C4CC4)no3)C2)n1 ZINC000052863665 425886373 /nfs/dbraw/zinc/88/63/73/425886373.db2.gz XTWNVAXMQQYUBC-JOYOIKCWSA-N 1 2 303.366 2.579 50 0 DFAALO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3nc(C4CC4)no3)C2)n1 ZINC000052863665 425886374 /nfs/dbraw/zinc/88/63/74/425886374.db2.gz XTWNVAXMQQYUBC-JOYOIKCWSA-N 1 2 303.366 2.579 50 0 DFAALO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)n1cnc2ccccc21 ZINC000067789507 286785487 /nfs/dbraw/zinc/78/54/87/286785487.db2.gz NYJIYDBGSFDJBU-LBPRGKRZSA-N 1 2 309.373 2.769 50 0 DFAALO C[C@@H](c1cccnc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987433 287154141 /nfs/dbraw/zinc/15/41/41/287154141.db2.gz YVXJQGNRSDTTHC-ZDUSSCGKSA-N 1 2 308.385 2.522 50 0 DFAALO C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000095987433 287154144 /nfs/dbraw/zinc/15/41/44/287154144.db2.gz YVXJQGNRSDTTHC-ZDUSSCGKSA-N 1 2 308.385 2.522 50 0 DFAALO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000055152282 425892358 /nfs/dbraw/zinc/89/23/58/425892358.db2.gz VQGQJOXYWIXXGY-MEDUHNTESA-N 1 2 302.349 2.712 50 0 DFAALO CN(Cc1[nH+]ccn1C)C(=O)CCSCc1ccc(F)cc1 ZINC000055252250 425892559 /nfs/dbraw/zinc/89/25/59/425892559.db2.gz CGQIBTZNVSSKDJ-UHFFFAOYSA-N 1 2 321.421 2.841 50 0 DFAALO CCn1ncnc1[C@@H](C)[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055327958 425892869 /nfs/dbraw/zinc/89/28/69/425892869.db2.gz DLDFRTJCURZQMG-CQSZACIVSA-N 1 2 322.416 2.914 50 0 DFAALO Cc1nnc(C[N@H+]2CCN(c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000670436997 544040584 /nfs/dbraw/zinc/04/05/84/544040584.db2.gz OTZCUECFQUUKQQ-ZDUSSCGKSA-N 1 2 302.447 2.866 50 0 DFAALO Cc1nnc(C[N@@H+]2CCN(c3ccc(C)cc3)C[C@@H]2C)s1 ZINC000670436997 544040586 /nfs/dbraw/zinc/04/05/86/544040586.db2.gz OTZCUECFQUUKQQ-ZDUSSCGKSA-N 1 2 302.447 2.866 50 0 DFAALO Cc1cccc(SC2CC[NH+](Cc3nncn3C)CC2)c1 ZINC000670444382 544041197 /nfs/dbraw/zinc/04/11/97/544041197.db2.gz DWKOHGCJVSFVRT-UHFFFAOYSA-N 1 2 302.447 2.880 50 0 DFAALO COc1cccc(N2CC[N@H+](Cc3nc(C)c[nH]3)CC2(C)C)c1 ZINC000670446909 544041734 /nfs/dbraw/zinc/04/17/34/544041734.db2.gz ZCBFWGMHRFNNEM-UHFFFAOYSA-N 1 2 314.433 2.828 50 0 DFAALO COc1cccc(N2CC[N@@H+](Cc3nc(C)c[nH]3)CC2(C)C)c1 ZINC000670446909 544041735 /nfs/dbraw/zinc/04/17/35/544041735.db2.gz ZCBFWGMHRFNNEM-UHFFFAOYSA-N 1 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ZINC000072295324 426014484 /nfs/dbraw/zinc/01/44/84/426014484.db2.gz XRWLZJNKKOHSTR-ZDUSSCGKSA-N 1 2 316.405 2.828 50 0 DFAALO CN(C)c1cccc(C[N@H+](C)[C@@H](C(N)=O)c2cccc(F)c2)c1 ZINC000072599562 426018651 /nfs/dbraw/zinc/01/86/51/426018651.db2.gz HGWMWIOSAYQUFT-QGZVFWFLSA-N 1 2 315.392 2.550 50 0 DFAALO CN(C)c1cccc(C[N@@H+](C)[C@@H](C(N)=O)c2cccc(F)c2)c1 ZINC000072599562 426018654 /nfs/dbraw/zinc/01/86/54/426018654.db2.gz HGWMWIOSAYQUFT-QGZVFWFLSA-N 1 2 315.392 2.550 50 0 DFAALO CC(C)c1ccsc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000076052807 426096062 /nfs/dbraw/zinc/09/60/62/426096062.db2.gz JPSRUAVYDMAXQE-DZGCQCFKSA-N 1 2 322.474 2.664 50 0 DFAALO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3ncc[nH]3)C2)CCC1=O ZINC000077298960 426126344 /nfs/dbraw/zinc/12/63/44/426126344.db2.gz POFCZYXDADTASW-GOSISDBHSA-N 1 2 318.465 2.660 50 0 DFAALO CC(C)CCN1C[C@]2(CCC[N@@H+](Cc3ncc[nH]3)C2)CCC1=O ZINC000077298960 426126348 /nfs/dbraw/zinc/12/63/48/426126348.db2.gz POFCZYXDADTASW-GOSISDBHSA-N 1 2 318.465 2.660 50 0 DFAALO CC(C)n1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000077287559 426126597 /nfs/dbraw/zinc/12/65/97/426126597.db2.gz ZIEKPNLJIYMIGL-QGZVFWFLSA-N 1 2 312.417 2.593 50 0 DFAALO CC(C)n1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000077287559 426126599 /nfs/dbraw/zinc/12/65/99/426126599.db2.gz ZIEKPNLJIYMIGL-QGZVFWFLSA-N 1 2 312.417 2.593 50 0 DFAALO COCC[C@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445530 426134330 /nfs/dbraw/zinc/13/43/30/426134330.db2.gz XRSFRUWKPOTECE-LBPRGKRZSA-N 1 2 302.378 2.634 50 0 DFAALO CC(C)n1cnnc1C[N@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000077538359 426139138 /nfs/dbraw/zinc/13/91/38/426139138.db2.gz DZJAYAFIAGWTSF-CYBMUJFWSA-N 1 2 300.406 2.814 50 0 DFAALO CC(C)n1cnnc1C[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000077538359 426139141 /nfs/dbraw/zinc/13/91/41/426139141.db2.gz DZJAYAFIAGWTSF-CYBMUJFWSA-N 1 2 300.406 2.814 50 0 DFAALO CO[C@@H](C)c1noc(C[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000170650576 426142595 /nfs/dbraw/zinc/14/25/95/426142595.db2.gz SPDGFVUKJSLLLX-SWLSCSKDSA-N 1 2 317.389 2.523 50 0 DFAALO CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000170650576 426142598 /nfs/dbraw/zinc/14/25/98/426142598.db2.gz SPDGFVUKJSLLLX-SWLSCSKDSA-N 1 2 317.389 2.523 50 0 DFAALO Cn1cc[nH+]c1CNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000078488617 426172648 /nfs/dbraw/zinc/17/26/48/426172648.db2.gz IFGJCSNTBZKIHO-UHFFFAOYSA-N 1 2 312.200 2.976 50 0 DFAALO CC[C@@H]1C(=O)NCC[N@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000172568642 426228369 /nfs/dbraw/zinc/22/83/69/426228369.db2.gz TWVXJKGXJOQMJD-CQSZACIVSA-N 1 2 301.415 2.521 50 0 DFAALO CC[C@@H]1C(=O)NCC[N@@H+]1Cc1cnc(-c2ccccc2)s1 ZINC000172568642 426228372 /nfs/dbraw/zinc/22/83/72/426228372.db2.gz TWVXJKGXJOQMJD-CQSZACIVSA-N 1 2 301.415 2.521 50 0 DFAALO Cn1ccnc1C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000135333131 426214088 /nfs/dbraw/zinc/21/40/88/426214088.db2.gz PKFVWAJDEWRVIL-CYBMUJFWSA-N 1 2 306.797 2.512 50 0 DFAALO Cn1ccnc1C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000135333131 426214093 /nfs/dbraw/zinc/21/40/93/426214093.db2.gz PKFVWAJDEWRVIL-CYBMUJFWSA-N 1 2 306.797 2.512 50 0 DFAALO Cc1nc(-c2ccsc2)sc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000089562840 426296364 /nfs/dbraw/zinc/29/63/64/426296364.db2.gz YEFUZEAZTOFSDY-SNVBAGLBSA-N 1 2 321.471 2.956 50 0 DFAALO Cc1nc(-c2ccsc2)sc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000089562840 426296365 /nfs/dbraw/zinc/29/63/65/426296365.db2.gz YEFUZEAZTOFSDY-SNVBAGLBSA-N 1 2 321.471 2.956 50 0 DFAALO Cc1ccc(N2CCCC2)c(C(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000089611884 426299237 /nfs/dbraw/zinc/29/92/37/426299237.db2.gz NAVHZZZCRXJDCH-UHFFFAOYSA-N 1 2 312.417 2.601 50 0 DFAALO Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)CCCn2cc[nH+]c2)s1 ZINC000089656337 426301726 /nfs/dbraw/zinc/30/17/26/426301726.db2.gz FTKGUCWIOFHQFD-KGLIPLIRSA-N 1 2 303.431 2.905 50 0 DFAALO Cc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)n(C)n1 ZINC000089870143 426314466 /nfs/dbraw/zinc/31/44/66/426314466.db2.gz CPZNEBVKMFLPQV-UHFFFAOYSA-N 1 2 309.373 2.745 50 0 DFAALO CCC(CC)c1cc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)on1 ZINC000089943193 426320898 /nfs/dbraw/zinc/32/08/98/426320898.db2.gz VSPKWXYQBGZXGY-ZDUSSCGKSA-N 1 2 316.405 2.654 50 0 DFAALO Cn1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c(-c2ccncc2)n1 ZINC000121271517 426330657 /nfs/dbraw/zinc/33/06/57/426330657.db2.gz CKWWKHYTUVLADT-OAHLLOKOSA-N 1 2 322.416 2.585 50 0 DFAALO Brc1ccccc1OCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000091079117 426337887 /nfs/dbraw/zinc/33/78/87/426337887.db2.gz DNEMCPPBEQEPQK-UHFFFAOYSA-N 1 2 322.206 2.609 50 0 DFAALO Brc1ccccc1OCC[N@H+]1CCc2n[nH]cc2C1 ZINC000091079117 426337891 /nfs/dbraw/zinc/33/78/91/426337891.db2.gz DNEMCPPBEQEPQK-UHFFFAOYSA-N 1 2 322.206 2.609 50 0 DFAALO OCc1nc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2[nH]1 ZINC000096149539 426401720 /nfs/dbraw/zinc/40/17/20/426401720.db2.gz LSQHYVHDOYJCGO-UHFFFAOYSA-N 1 2 323.396 2.554 50 0 DFAALO CN(Cc1c[nH+]c2ccccn12)c1nccc(-c2cccnc2)n1 ZINC000096153415 426402264 /nfs/dbraw/zinc/40/22/64/426402264.db2.gz BJWWHTTZWIYFNP-UHFFFAOYSA-N 1 2 316.368 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ZINC000015066786 425778174 /nfs/dbraw/zinc/77/81/74/425778174.db2.gz LCZOVFARKFLBPM-UHFFFAOYSA-N 1 2 301.390 2.789 50 0 DFAALO CCN(CC)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000015066786 425778175 /nfs/dbraw/zinc/77/81/75/425778175.db2.gz LCZOVFARKFLBPM-UHFFFAOYSA-N 1 2 301.390 2.789 50 0 DFAALO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000016332829 425786457 /nfs/dbraw/zinc/78/64/57/425786457.db2.gz KVFJQGUOLLWFDD-VQMFRGLQSA-N 1 2 320.477 2.569 50 0 DFAALO O=C(c1nc2ccccc2s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018254943 425790762 /nfs/dbraw/zinc/79/07/62/425790762.db2.gz GEOUZRZOLPSTCW-UHFFFAOYSA-N 1 2 324.409 2.654 50 0 DFAALO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccccc21)c1ccsc1 ZINC000025331492 425803876 /nfs/dbraw/zinc/80/38/76/425803876.db2.gz WAWFPESSDFYHCT-CQSZACIVSA-N 1 2 314.414 2.657 50 0 DFAALO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)no1 ZINC000025443281 425805057 /nfs/dbraw/zinc/80/50/57/425805057.db2.gz NWUXENOFJPRJGD-CQSZACIVSA-N 1 2 303.337 2.898 50 0 DFAALO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)no1 ZINC000025443281 425805059 /nfs/dbraw/zinc/80/50/59/425805059.db2.gz NWUXENOFJPRJGD-CQSZACIVSA-N 1 2 303.337 2.898 50 0 DFAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccnc(Cl)c1 ZINC000025979256 425809242 /nfs/dbraw/zinc/80/92/42/425809242.db2.gz SSARJZYUBNRRON-UHFFFAOYSA-N 1 2 316.792 2.660 50 0 DFAALO O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000013010838 425747195 /nfs/dbraw/zinc/74/71/95/425747195.db2.gz YVLHURMJIMCWHN-INIZCTEOSA-N 1 2 302.349 2.872 50 0 DFAALO O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000013010838 425747200 /nfs/dbraw/zinc/74/72/00/425747200.db2.gz YVLHURMJIMCWHN-INIZCTEOSA-N 1 2 302.349 2.872 50 0 DFAALO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000013363749 425753418 /nfs/dbraw/zinc/75/34/18/425753418.db2.gz KJYBVFFNXDMQIM-UHFFFAOYSA-N 1 2 313.401 2.756 50 0 DFAALO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000013668942 425759161 /nfs/dbraw/zinc/75/91/61/425759161.db2.gz YHVZXBOLDPLNSW-UHFFFAOYSA-N 1 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ZINC000032889935 425840431 /nfs/dbraw/zinc/84/04/31/425840431.db2.gz GCLIQKRFQAMUIT-LBPRGKRZSA-N 1 2 305.403 2.820 50 0 DFAALO O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CCc2ccccc21 ZINC000033359616 425842126 /nfs/dbraw/zinc/84/21/26/425842126.db2.gz DCNXPBOXUNHKFJ-UHFFFAOYSA-N 1 2 322.408 2.722 50 0 DFAALO CCC[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000035898000 425844946 /nfs/dbraw/zinc/84/49/46/425844946.db2.gz CASIDTNQSPYCSC-UHFFFAOYSA-N 1 2 318.442 2.556 50 0 DFAALO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000037117687 425847521 /nfs/dbraw/zinc/84/75/21/425847521.db2.gz UNJPODQUQPXMBV-UHFFFAOYSA-N 1 2 309.822 2.688 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1c1cccs1 ZINC000047029085 425867773 /nfs/dbraw/zinc/86/77/73/425867773.db2.gz NWTMTBKQVHFWLM-CHWSQXEVSA-N 1 2 304.419 2.880 50 0 DFAALO Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000048332600 425874589 /nfs/dbraw/zinc/87/45/89/425874589.db2.gz FXPRAVSKEQTKQJ-UHFFFAOYSA-N 1 2 310.401 2.705 50 0 DFAALO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1-c1ccccc1 ZINC000048221413 425873454 /nfs/dbraw/zinc/87/34/54/425873454.db2.gz GSQQCYGPGWFATO-MRXNPFEDSA-N 1 2 324.424 2.804 50 0 DFAALO O=C(N[C@H]1CCOc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000048223138 425873579 /nfs/dbraw/zinc/87/35/79/425873579.db2.gz ZVWZSGIAWCPNRP-HNNXBMFYSA-N 1 2 320.352 2.521 50 0 DFAALO Cc1ncc2c(n1)CC[N@@H+]([C@H](C)C(=O)c1c[nH]c3ccccc13)C2 ZINC000048261852 425873941 /nfs/dbraw/zinc/87/39/41/425873941.db2.gz BADFJFNPTCGPAT-GFCCVEGCSA-N 1 2 320.396 2.896 50 0 DFAALO Cc1ncc2c(n1)CC[N@H+]([C@H](C)C(=O)c1c[nH]c3ccccc13)C2 ZINC000048261852 425873942 /nfs/dbraw/zinc/87/39/42/425873942.db2.gz BADFJFNPTCGPAT-GFCCVEGCSA-N 1 2 320.396 2.896 50 0 DFAALO C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)n1cc[nH+]c1 ZINC000048276845 425874002 /nfs/dbraw/zinc/87/40/02/425874002.db2.gz WBBPRJXQDKOHGF-HNNXBMFYSA-N 1 2 312.417 2.703 50 0 DFAALO O=C1OCC[C@@H]1[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000048314885 425874409 /nfs/dbraw/zinc/87/44/09/425874409.db2.gz TYRPSKRGXFNRAH-INIZCTEOSA-N 1 2 300.333 2.712 50 0 DFAALO O=C1OCC[C@@H]1[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000048314885 425874410 /nfs/dbraw/zinc/87/44/10/425874410.db2.gz TYRPSKRGXFNRAH-INIZCTEOSA-N 1 2 300.333 2.712 50 0 DFAALO COc1c(C)c[nH+]c(CNC(=O)COc2ccccc2F)c1C ZINC000050449182 425881902 /nfs/dbraw/zinc/88/19/02/425881902.db2.gz GCISSPJFKNLUQC-UHFFFAOYSA-N 1 2 318.348 2.541 50 0 DFAALO Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)n3cc[nH+]c3)co2)cc1 ZINC000069442708 425939152 /nfs/dbraw/zinc/93/91/52/425939152.db2.gz BHEFYLRJILHIFK-CQSZACIVSA-N 1 2 324.384 2.766 50 0 DFAALO C[C@H](NC(=O)NCCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000071795674 425989538 /nfs/dbraw/zinc/98/95/38/425989538.db2.gz NFELHEYZUIHTPT-AWEZNQCLSA-N 1 2 300.406 2.549 50 0 DFAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc(C2CC2)no1 ZINC000071876699 425997374 /nfs/dbraw/zinc/99/73/74/425997374.db2.gz KPCHTUZXTAUTMT-ZDUSSCGKSA-N 1 2 301.394 2.634 50 0 DFAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc(C2CC2)no1 ZINC000071876699 425997377 /nfs/dbraw/zinc/99/73/77/425997377.db2.gz KPCHTUZXTAUTMT-ZDUSSCGKSA-N 1 2 301.394 2.634 50 0 DFAALO Cc1noc(C)c1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000071900644 426001332 /nfs/dbraw/zinc/00/13/32/426001332.db2.gz YVIAJJJJWSSHHR-INIZCTEOSA-N 1 2 317.364 2.668 50 0 DFAALO Cc1noc(C)c1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000071900644 426001335 /nfs/dbraw/zinc/00/13/35/426001335.db2.gz YVIAJJJJWSSHHR-INIZCTEOSA-N 1 2 317.364 2.668 50 0 DFAALO C[N@@H+](Cc1nc(C(C)(C)C)no1)C[C@@H]1COc2ccccc2O1 ZINC000069491772 425942721 /nfs/dbraw/zinc/94/27/21/425942721.db2.gz GVKUIAQOXMLDEQ-GFCCVEGCSA-N 1 2 317.389 2.639 50 0 DFAALO C[N@H+](Cc1nc(C(C)(C)C)no1)C[C@@H]1COc2ccccc2O1 ZINC000069491772 425942723 /nfs/dbraw/zinc/94/27/23/425942723.db2.gz GVKUIAQOXMLDEQ-GFCCVEGCSA-N 1 2 317.389 2.639 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000069630639 425950865 /nfs/dbraw/zinc/95/08/65/425950865.db2.gz FGFPOBPPQGNHSL-UXIGCNINSA-N 1 2 318.808 2.780 50 0 DFAALO C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069662329 425951743 /nfs/dbraw/zinc/95/17/43/425951743.db2.gz IALPMGUDNQCXQU-WBVHZDCISA-N 1 2 313.401 2.652 50 0 DFAALO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)on1 ZINC000069736942 425955425 /nfs/dbraw/zinc/95/54/25/425955425.db2.gz RFTHYAKGAYNDFM-LBPRGKRZSA-N 1 2 324.384 2.850 50 0 DFAALO Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)on1 ZINC000069736942 425955427 /nfs/dbraw/zinc/95/54/27/425955427.db2.gz RFTHYAKGAYNDFM-LBPRGKRZSA-N 1 2 324.384 2.850 50 0 DFAALO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069776753 425956604 /nfs/dbraw/zinc/95/66/04/425956604.db2.gz POHJUCPEWMMHTB-OAHLLOKOSA-N 1 2 303.793 2.943 50 0 DFAALO Cc1cccn2cc(CC(=O)N(CC(F)(F)F)C(C)C)[nH+]c12 ZINC000069842756 425960145 /nfs/dbraw/zinc/96/01/45/425960145.db2.gz VRKWBSQXAKTEGJ-UHFFFAOYSA-N 1 2 313.323 2.985 50 0 DFAALO c1cnn(C[C@@H]2CCC[N@@H+]2Cc2noc(-c3ccccc3)n2)c1 ZINC000070037114 425966785 /nfs/dbraw/zinc/96/67/85/425966785.db2.gz TZBMKMUCOKLHNM-HNNXBMFYSA-N 1 2 309.373 2.598 50 0 DFAALO c1cnn(C[C@@H]2CCC[N@H+]2Cc2noc(-c3ccccc3)n2)c1 ZINC000070037114 425966788 /nfs/dbraw/zinc/96/67/88/425966788.db2.gz TZBMKMUCOKLHNM-HNNXBMFYSA-N 1 2 309.373 2.598 50 0 DFAALO c1sc(-c2ncccn2)nc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000106826456 425974163 /nfs/dbraw/zinc/97/41/63/425974163.db2.gz ZEPSLNDECXWXPL-KGLIPLIRSA-N 1 2 316.430 2.744 50 0 DFAALO c1sc(-c2ncccn2)nc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000106826456 425974168 /nfs/dbraw/zinc/97/41/68/425974168.db2.gz ZEPSLNDECXWXPL-KGLIPLIRSA-N 1 2 316.430 2.744 50 0 DFAALO CSc1cccc2sc(NCC[NH+]3CCOCC3)nc21 ZINC000070697659 425974963 /nfs/dbraw/zinc/97/49/63/425974963.db2.gz DJYHCFPQLRQLBR-UHFFFAOYSA-N 1 2 309.460 2.762 50 0 DFAALO Cc1[nH+]c2c(n1C)CN(C(=O)Cc1c(F)cccc1Cl)CC2 ZINC000075403584 426072706 /nfs/dbraw/zinc/07/27/06/426072706.db2.gz WGPYJAWRHDRPJT-UHFFFAOYSA-N 1 2 321.783 2.648 50 0 DFAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+](CCO)C1CC1 ZINC000071956078 426006819 /nfs/dbraw/zinc/00/68/19/426006819.db2.gz XSBLOPUYHAMYSJ-UHFFFAOYSA-N 1 2 305.809 2.791 50 0 DFAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](CCO)C1CC1 ZINC000071956078 426006821 /nfs/dbraw/zinc/00/68/21/426006821.db2.gz XSBLOPUYHAMYSJ-UHFFFAOYSA-N 1 2 305.809 2.791 50 0 DFAALO Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000072286706 426012262 /nfs/dbraw/zinc/01/22/62/426012262.db2.gz CKRIGEGPVSXEIW-OAHLLOKOSA-N 1 2 324.428 2.537 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CSc3ccccc31)C2 ZINC000072287783 426012818 /nfs/dbraw/zinc/01/28/18/426012818.db2.gz RVUQJNGQMPYWDU-GXTWGEPZSA-N 1 2 313.426 2.512 50 0 DFAALO Cc1nc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)oc1C ZINC000072299989 426013729 /nfs/dbraw/zinc/01/37/29/426013729.db2.gz ALYDSULEXGETFO-ZDUSSCGKSA-N 1 2 302.378 2.931 50 0 DFAALO Cc1nc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)oc1C ZINC000072299989 426013730 /nfs/dbraw/zinc/01/37/30/426013730.db2.gz ALYDSULEXGETFO-ZDUSSCGKSA-N 1 2 302.378 2.931 50 0 DFAALO CCc1cnc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000072299899 426013762 /nfs/dbraw/zinc/01/37/62/426013762.db2.gz RKFUOGGJFLMFAQ-LBPRGKRZSA-N 1 2 302.378 2.877 50 0 DFAALO CCc1cnc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000072299899 426013765 /nfs/dbraw/zinc/01/37/65/426013765.db2.gz RKFUOGGJFLMFAQ-LBPRGKRZSA-N 1 2 302.378 2.877 50 0 DFAALO CCCn1ccnc1[C@@H]1c2[nH]c[nH+]c2CCN1Cc1ccccn1 ZINC000072420539 426015318 /nfs/dbraw/zinc/01/53/18/426015318.db2.gz LUHQDOZGSPDIEL-KRWDZBQOSA-N 1 2 322.416 2.559 50 0 DFAALO Cc1ccccc1OC[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000076082650 426099467 /nfs/dbraw/zinc/09/94/67/426099467.db2.gz CIMGBQMJCZPVPC-INIZCTEOSA-N 1 2 309.369 2.693 50 0 DFAALO CCOc1ccccc1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077454851 426134203 /nfs/dbraw/zinc/13/42/03/426134203.db2.gz ARJSXNJHBBQEHE-HNNXBMFYSA-N 1 2 313.401 2.757 50 0 DFAALO Cn1cc[nH+]c1CNC(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000077724191 426146567 /nfs/dbraw/zinc/14/65/67/426146567.db2.gz LDTVBEKZMMCURB-UHFFFAOYSA-N 1 2 318.352 2.670 50 0 DFAALO COC(=O)c1sccc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000089404198 426289349 /nfs/dbraw/zinc/28/93/49/426289349.db2.gz HGXJKKHYIHUYMO-LBPRGKRZSA-N 1 2 305.403 2.985 50 0 DFAALO Cc1ccc(O)c(CNc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000089626785 426299085 /nfs/dbraw/zinc/29/90/85/426299085.db2.gz VFRMEURHMGJFCF-UHFFFAOYSA-N 1 2 324.384 2.983 50 0 DFAALO Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CCCn2cc[nH+]c2)s1 ZINC000089656340 426301180 /nfs/dbraw/zinc/30/11/80/426301180.db2.gz FTKGUCWIOFHQFD-ZIAGYGMSSA-N 1 2 303.431 2.905 50 0 DFAALO O=C(NCCCCn1cc[nH+]c1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000089827981 426311433 /nfs/dbraw/zinc/31/14/33/426311433.db2.gz YZBWAPVYEWKGML-SJORKVTESA-N 1 2 312.417 2.766 50 0 DFAALO COc1ccc(OC(C)C)c(NC(=O)NCc2[nH]cc[nH+]2)c1 ZINC000089888084 426315207 /nfs/dbraw/zinc/31/52/07/426315207.db2.gz HCWXBGQENDBXRS-UHFFFAOYSA-N 1 2 304.350 2.527 50 0 DFAALO CCS[C@H](C)c1noc(CN(C)CCCn2cc[nH+]c2)n1 ZINC000089274819 426285109 /nfs/dbraw/zinc/28/51/09/426285109.db2.gz YBIDHNGMCCVASZ-GFCCVEGCSA-N 1 2 309.439 2.602 50 0 DFAALO C[C@H](CNC(=O)Cc1c(F)cccc1Cl)Cn1cc[nH+]c1 ZINC000153628277 426395701 /nfs/dbraw/zinc/39/57/01/426395701.db2.gz DLPRZHNMICJPCX-LLVKDONJSA-N 1 2 309.772 2.671 50 0 DFAALO CCCn1cc[nH+]c1CNC(=O)c1ccc2nc(C)c(C)nc2c1 ZINC000095355860 426366174 /nfs/dbraw/zinc/36/61/74/426366174.db2.gz OXHVUGQLUWKNLV-UHFFFAOYSA-N 1 2 323.400 2.783 50 0 DFAALO CC(C)n1cc[nH+]c1[C@H]1CCCN(c2ncnc3[nH]cnc32)C1 ZINC000095373080 426369260 /nfs/dbraw/zinc/36/92/60/426369260.db2.gz NRBXSMRKAGEFFZ-LBPRGKRZSA-N 1 2 311.393 2.514 50 0 DFAALO O=C(Cn1cc[nH+]c1-c1ccccc1)NCCCc1ccco1 ZINC000095503926 426374158 /nfs/dbraw/zinc/37/41/58/426374158.db2.gz SROYGKGSQUNFHJ-UHFFFAOYSA-N 1 2 309.369 2.892 50 0 DFAALO CN(CC1CCC1)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000095957620 426377071 /nfs/dbraw/zinc/37/70/71/426377071.db2.gz LDAIRFIOCQKHBZ-MRXNPFEDSA-N 1 2 312.417 2.951 50 0 DFAALO Cc1cccc(C)c1NCC(=O)NCc1cn2ccccc2[nH+]1 ZINC000095961283 426378631 /nfs/dbraw/zinc/37/86/31/426378631.db2.gz PCXBSNZTPHARIT-UHFFFAOYSA-N 1 2 308.385 2.679 50 0 DFAALO COc1ccc(C[NH+]2CCN(c3cccc(C)n3)CC2)cc1F ZINC000095968530 426379391 /nfs/dbraw/zinc/37/93/91/426379391.db2.gz MGRMZOSHKNROOM-UHFFFAOYSA-N 1 2 315.392 2.860 50 0 DFAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N(C)[C@H]1CCSC1 ZINC000095975316 426380738 /nfs/dbraw/zinc/38/07/38/426380738.db2.gz BZVFRCYMPOUCRW-ZDUSSCGKSA-N 1 2 320.462 2.959 50 0 DFAALO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)[C@H](O)Cc1ccccc1 ZINC000095978590 426381306 /nfs/dbraw/zinc/38/13/06/426381306.db2.gz AJNGWHGRVUEFDY-BLLLJJGKSA-N 1 2 308.385 2.616 50 0 DFAALO CC[N@H+](Cc1ccc(Br)s1)Cc1cnnn1C ZINC000095982330 426382297 /nfs/dbraw/zinc/38/22/97/426382297.db2.gz JJFVOCDJTHIYEO-UHFFFAOYSA-N 1 2 315.240 2.661 50 0 DFAALO CC[N@@H+](Cc1ccc(Br)s1)Cc1cnnn1C ZINC000095982330 426382300 /nfs/dbraw/zinc/38/23/00/426382300.db2.gz JJFVOCDJTHIYEO-UHFFFAOYSA-N 1 2 315.240 2.661 50 0 DFAALO CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccnc3)c2C1 ZINC000095995744 426386049 /nfs/dbraw/zinc/38/60/49/426386049.db2.gz CCYQURSCFJWBPK-UHFFFAOYSA-N 1 2 317.414 2.608 50 0 DFAALO CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccnc3)c2C1 ZINC000095995744 426386050 /nfs/dbraw/zinc/38/60/50/426386050.db2.gz CCYQURSCFJWBPK-UHFFFAOYSA-N 1 2 317.414 2.608 50 0 DFAALO C[C@H](C[NH+]1CCOCC1)OC(=O)c1cc2c(s1)CCCCC2 ZINC000095997332 426386116 /nfs/dbraw/zinc/38/61/16/426386116.db2.gz AIPJHQCGHPCUFM-CYBMUJFWSA-N 1 2 323.458 2.895 50 0 DFAALO CCCOc1cc(C[N@H+](C)Cc2nccn2C)ccc1OC ZINC000096003580 426387553 /nfs/dbraw/zinc/38/75/53/426387553.db2.gz GQGOQUAJVLJCDY-UHFFFAOYSA-N 1 2 303.406 2.850 50 0 DFAALO CCCOc1cc(C[N@@H+](C)Cc2nccn2C)ccc1OC ZINC000096003580 426387555 /nfs/dbraw/zinc/38/75/55/426387555.db2.gz GQGOQUAJVLJCDY-UHFFFAOYSA-N 1 2 303.406 2.850 50 0 DFAALO CCCOc1cc(CN(C)Cc2[nH+]ccn2C)ccc1OC ZINC000096003580 426387558 /nfs/dbraw/zinc/38/75/58/426387558.db2.gz GQGOQUAJVLJCDY-UHFFFAOYSA-N 1 2 303.406 2.850 50 0 DFAALO O=C(Nc1ccc(F)cn1)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096410044 426416236 /nfs/dbraw/zinc/41/62/36/426416236.db2.gz XZXGNIZZBGMNNC-OAHLLOKOSA-N 1 2 314.364 2.609 50 0 DFAALO O=C(Nc1ccc(F)cn1)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096410044 426416238 /nfs/dbraw/zinc/41/62/38/426416238.db2.gz XZXGNIZZBGMNNC-OAHLLOKOSA-N 1 2 314.364 2.609 50 0 DFAALO Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cccnc1)c1ccccc1 ZINC000096434109 426424018 /nfs/dbraw/zinc/42/40/18/426424018.db2.gz BXBIQQRIBWGPEX-INIZCTEOSA-N 1 2 321.384 2.921 50 0 DFAALO CNC(=O)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000096441740 426425827 /nfs/dbraw/zinc/42/58/27/426425827.db2.gz OPSXSOHHSZBYTR-GOSISDBHSA-N 1 2 310.397 2.620 50 0 DFAALO CNC(=O)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000096441740 426425828 /nfs/dbraw/zinc/42/58/28/426425828.db2.gz OPSXSOHHSZBYTR-GOSISDBHSA-N 1 2 310.397 2.620 50 0 DFAALO CC(=O)c1c(F)cccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000096453747 426430038 /nfs/dbraw/zinc/43/00/38/426430038.db2.gz 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CCCNC(=O)[C@@H]1CCc2[nH+]cc(-c3ccc(OC)cc3)n2C1 ZINC000169761372 398998495 /nfs/dbraw/zinc/99/84/95/398998495.db2.gz YDUBJKVPHFRILV-CQSZACIVSA-N 1 2 313.401 2.647 50 0 DFAALO O=C([C@@H]1CCc2[nH+]cc(-c3ccsc3)n2C1)N1CCCC1 ZINC000169761366 398998055 /nfs/dbraw/zinc/99/80/55/398998055.db2.gz UNKPILKVGZFHJC-GFCCVEGCSA-N 1 2 301.415 2.796 50 0 DFAALO CS(=O)(=O)Nc1ccc(N2CCCCC2)c2cc[nH+]cc12 ZINC000170599496 399008316 /nfs/dbraw/zinc/00/83/16/399008316.db2.gz BRFHQKVCXYDRHN-UHFFFAOYSA-N 1 2 305.403 2.597 50 0 DFAALO O=C(C1CCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091381699 193049415 /nfs/dbraw/zinc/04/94/15/193049415.db2.gz LSOROBOTUIOFPD-QGZVFWFLSA-N 1 2 324.428 2.833 50 0 DFAALO CC[C@H](NC(=O)c1cccc(Cn2cccn2)c1)c1[nH]cc(C)[nH+]1 ZINC000091434075 193055279 /nfs/dbraw/zinc/05/52/79/193055279.db2.gz DBNUWXYDHZGAHN-INIZCTEOSA-N 1 2 323.400 2.844 50 0 DFAALO CCCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N(C)CCOC ZINC000055060489 284123488 /nfs/dbraw/zinc/12/34/88/284123488.db2.gz 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Cc1ccc(C)c([C@@H]2C[N@@H+](CCN3CCOC3=O)[C@@H](C)CO2)c1 ZINC000110641189 194345002 /nfs/dbraw/zinc/34/50/02/194345002.db2.gz UQVPUULDDZPVOV-RDJZCZTQSA-N 1 2 318.417 2.517 50 0 DFAALO Cc1noc(C)c1C[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000056055814 184004180 /nfs/dbraw/zinc/00/41/80/184004180.db2.gz JONSRWGXTRCEOZ-UHFFFAOYSA-N 1 2 315.373 2.608 50 0 DFAALO Cc1cccn2cc(CC(=O)NCCSC(F)(F)F)[nH+]c12 ZINC000058263953 184095274 /nfs/dbraw/zinc/09/52/74/184095274.db2.gz NCXJXTUIQYAWJR-UHFFFAOYSA-N 1 2 317.336 2.554 50 0 DFAALO Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc[nH+]c1N(C)C ZINC000058295532 184101782 /nfs/dbraw/zinc/10/17/82/184101782.db2.gz ASZCGEZZJRFBGV-UHFFFAOYSA-N 1 2 323.347 2.537 50 0 DFAALO Cc1ccc(-c2nc(C(=O)N3CC[NH+](C)CC3)cs2)c(C)c1 ZINC000058300658 184102963 /nfs/dbraw/zinc/10/29/63/184102963.db2.gz IQUOGVCIJRYRLN-UHFFFAOYSA-N 1 2 315.442 2.815 50 0 DFAALO COc1ccc(NC(=O)N2CCc3[nH]c[nH+]c3C2)cc1Cl ZINC000065164282 184313037 /nfs/dbraw/zinc/31/30/37/184313037.db2.gz LXJDDRHALKCQCK-UHFFFAOYSA-N 1 2 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/nfs/dbraw/zinc/58/59/99/256585999.db2.gz NWUSAYHCAAJKES-AWEZNQCLSA-N 1 2 308.341 2.668 50 0 DFAALO CC(C)[N@@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514289495 257216278 /nfs/dbraw/zinc/21/62/78/257216278.db2.gz MOIWNBNBUIHMCE-KBPBESRZSA-N 1 2 315.417 2.927 50 0 biogenic,in-vitro DFAALO CC(C)[N@H+]1CC[C@@H](CC(=O)[O-])[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000514289495 257216279 /nfs/dbraw/zinc/21/62/79/257216279.db2.gz MOIWNBNBUIHMCE-KBPBESRZSA-N 1 2 315.417 2.927 50 0 biogenic,in-vitro DFAALO Cc1nc(CN2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cs1 ZINC000270541655 257238113 /nfs/dbraw/zinc/23/81/13/257238113.db2.gz CGEJFUMZFJIHJM-UHFFFAOYSA-N 1 2 313.430 2.650 50 0 DFAALO Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1c[nH+]c[nH]1 ZINC000426707317 257243690 /nfs/dbraw/zinc/24/36/90/257243690.db2.gz ZXGKBJQVGMSTMC-JTQLQIEISA-N 1 2 300.337 2.758 50 0 DFAALO Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1c[nH]c[nH+]1 ZINC000426707317 257243692 /nfs/dbraw/zinc/24/36/92/257243692.db2.gz ZXGKBJQVGMSTMC-JTQLQIEISA-N 1 2 300.337 2.758 50 0 DFAALO COc1cc(C(=O)NCc2[nH+]c(C)c(C)n2C)c2ccccc2n1 ZINC000426623390 257244954 /nfs/dbraw/zinc/24/49/54/257244954.db2.gz YWNGITIISPFDRR-UHFFFAOYSA-N 1 2 324.384 2.524 50 0 DFAALO Cc1c[nH]c([C@@H](C)NC(=O)c2c(C)nc3ccc(Cl)cn32)[nH+]1 ZINC000426498357 257248678 /nfs/dbraw/zinc/24/86/78/257248678.db2.gz BDQJJTMRJBQVLG-SNVBAGLBSA-N 1 2 317.780 2.819 50 0 DFAALO O=C(c1nc2ccccc2[nH]1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426372123 257253102 /nfs/dbraw/zinc/25/31/02/257253102.db2.gz PQUMEBXKOQITFP-AWEZNQCLSA-N 1 2 323.400 2.844 50 0 DFAALO Cc1ccc2[nH+]cc(CN[C@@H](c3cnn(C)c3)C(F)(F)F)n2c1 ZINC000408516880 257256251 /nfs/dbraw/zinc/25/62/51/257256251.db2.gz MLMRVRGZAWRMSI-AWEZNQCLSA-N 1 2 323.322 2.769 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000328618363 257264335 /nfs/dbraw/zinc/26/43/35/257264335.db2.gz DRFDRFLAYGEJMB-XZDPQHSOSA-N 1 2 323.437 2.735 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC000328618363 257264337 /nfs/dbraw/zinc/26/43/37/257264337.db2.gz DRFDRFLAYGEJMB-XZDPQHSOSA-N 1 2 323.437 2.735 50 0 DFAALO C[C@@H](c1nc(COc2ccccc2)no1)[NH+]1CCSCC1 ZINC000091582346 542542032 /nfs/dbraw/zinc/54/20/32/542542032.db2.gz JKRBBQIQADLYJE-LBPRGKRZSA-N 1 2 305.403 2.758 50 0 DFAALO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)n1C ZINC000178972855 542778849 /nfs/dbraw/zinc/77/88/49/542778849.db2.gz JMSBJQGIBSPMMH-GFCCVEGCSA-N 1 2 320.824 2.684 50 0 DFAALO CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)n1C ZINC000178972855 542778852 /nfs/dbraw/zinc/77/88/52/542778852.db2.gz JMSBJQGIBSPMMH-GFCCVEGCSA-N 1 2 320.824 2.684 50 0 DFAALO COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cn1 ZINC000215827311 542873956 /nfs/dbraw/zinc/87/39/56/542873956.db2.gz AUUWJJWXWKEREO-KRWDZBQOSA-N 1 2 313.401 2.666 50 0 DFAALO COc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cn1 ZINC000215827311 542873960 /nfs/dbraw/zinc/87/39/60/542873960.db2.gz AUUWJJWXWKEREO-KRWDZBQOSA-N 1 2 313.401 2.666 50 0 DFAALO Cn1ccc2cc(C[N@@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000215752296 542872786 /nfs/dbraw/zinc/87/27/86/542872786.db2.gz CKTQQEWPKSTJSQ-UHFFFAOYSA-N 1 2 311.429 2.765 50 0 DFAALO Cn1ccc2cc(C[N@H+]3CCN(C4CCCC4)C(=O)C3)ccc21 ZINC000215752296 542872790 /nfs/dbraw/zinc/87/27/90/542872790.db2.gz CKTQQEWPKSTJSQ-UHFFFAOYSA-N 1 2 311.429 2.765 50 0 DFAALO c1cc(C2CC[NH+](C[C@@H]3CC(c4ccccc4)=NO3)CC2)[nH]n1 ZINC000252495479 542947458 /nfs/dbraw/zinc/94/74/58/542947458.db2.gz ORKNFCHWDVEIDW-INIZCTEOSA-N 1 2 310.401 2.782 50 0 DFAALO CCn1c[nH+]cc1CNC(=O)c1cccc(-c2c(C)n[nH]c2C)c1 ZINC000299764828 543044304 /nfs/dbraw/zinc/04/43/04/543044304.db2.gz MTUQWIGJOVXDPB-UHFFFAOYSA-N 1 2 323.400 2.840 50 0 DFAALO CCOc1ccc([C@H](C)NC(=O)[C@H](C)n2cc[nH+]c2)cc1OC ZINC000052693113 425885617 /nfs/dbraw/zinc/88/56/17/425885617.db2.gz OOIFQZPLORWMMW-STQMWFEESA-N 1 2 317.389 2.729 50 0 DFAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@@H]2CCOC2)CC1 ZINC000129879694 196082929 /nfs/dbraw/zinc/08/29/29/196082929.db2.gz LSGOBAYVSXWXHK-HUUCEWRRSA-N 1 2 322.474 2.770 50 0 DFAALO CC[C@@H](c1ccc(OC)cc1)N(CC)C(=O)Cn1cc[nH+]c1 ZINC000055108995 425891892 /nfs/dbraw/zinc/89/18/92/425891892.db2.gz BXLGOSNLNGJBGZ-INIZCTEOSA-N 1 2 301.390 2.892 50 0 DFAALO Cc1cc(C(=O)Nc2ccc(NC(=O)Cc3c[nH]c[nH+]3)cc2)co1 ZINC000055327213 425892855 /nfs/dbraw/zinc/89/28/55/425892855.db2.gz ARFVGTWGKRMIKX-UHFFFAOYSA-N 1 2 324.340 2.745 50 0 DFAALO Cc1cc(C(=O)Nc2ccc(NC(=O)Cc3c[nH+]c[nH]3)cc2)co1 ZINC000055327213 425892854 /nfs/dbraw/zinc/89/28/54/425892854.db2.gz ARFVGTWGKRMIKX-UHFFFAOYSA-N 1 2 324.340 2.745 50 0 DFAALO FC(F)(F)c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cn1 ZINC000670441443 544040983 /nfs/dbraw/zinc/04/09/83/544040983.db2.gz ITTOAGCMDNHMHL-UHFFFAOYSA-N 1 2 311.311 2.598 50 0 DFAALO CCCc1c[nH+]c(C)nc1N1CCC[C@@H](c2cc(=O)[nH]cn2)C1 ZINC000670441951 544041473 /nfs/dbraw/zinc/04/14/73/544041473.db2.gz KJTWBBHVKHJJDK-CQSZACIVSA-N 1 2 313.405 2.617 50 0 DFAALO Oc1ccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000055530966 425894063 /nfs/dbraw/zinc/89/40/63/425894063.db2.gz BAFUFBANJZUYNZ-UHFFFAOYSA-N 1 2 309.369 2.856 50 0 DFAALO C[C@H]1CCc2nc(NC(=O)CCCn3cc[nH+]c3)sc2C1 ZINC000057996170 425897343 /nfs/dbraw/zinc/89/73/43/425897343.db2.gz CWBLXULVEPDWFI-NSHDSACASA-N 1 2 304.419 2.883 50 0 DFAALO CC(C)CN(C)c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000058343489 425897833 /nfs/dbraw/zinc/89/78/33/425897833.db2.gz ZGSCYHJDUFEBGO-OAHLLOKOSA-N 1 2 314.433 2.794 50 0 DFAALO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058430885 425898095 /nfs/dbraw/zinc/89/80/95/425898095.db2.gz DKUQGKKZYNFJEV-KZNAEPCWSA-N 1 2 321.424 2.970 50 0 DFAALO Cc1ccc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)cc1 ZINC000065239650 425902672 /nfs/dbraw/zinc/90/26/72/425902672.db2.gz PTIUGGBRNTZOIL-UHFFFAOYSA-N 1 2 306.413 2.965 50 0 DFAALO O=C(Nc1ccccn1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000067294498 425909872 /nfs/dbraw/zinc/90/98/72/425909872.db2.gz MAPHROZMGLWXRW-RMKNXTFCSA-N 1 2 322.412 2.945 50 0 DFAALO OCc1cccc(-n2cc[nH+]c2-c2ccc3c(c2)OCCO3)c1 ZINC000067712772 425912685 /nfs/dbraw/zinc/91/26/85/425912685.db2.gz ONYPDYRJPDSPIH-UHFFFAOYSA-N 1 2 308.337 2.803 50 0 DFAALO Cc1ccc[nH+]c1C[C@@H](C)Nc1ccc(-c2nccn2C)nn1 ZINC000067981622 425915131 /nfs/dbraw/zinc/91/51/31/425915131.db2.gz ZTIBVLMVGNWINL-CYBMUJFWSA-N 1 2 308.389 2.624 50 0 DFAALO Cc1cccn2c(CNC(=O)Cc3cc(F)ccc3C)c[nH+]c12 ZINC000067842509 425913825 /nfs/dbraw/zinc/91/38/25/425913825.db2.gz XIQBDSMMVXYISU-UHFFFAOYSA-N 1 2 311.360 2.949 50 0 DFAALO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068854914 425921979 /nfs/dbraw/zinc/92/19/79/425921979.db2.gz LIVBTVPXWGTHLF-KRWDZBQOSA-N 1 2 314.385 2.999 50 0 DFAALO Cc1noc(C)c1C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068854914 425921982 /nfs/dbraw/zinc/92/19/82/425921982.db2.gz LIVBTVPXWGTHLF-KRWDZBQOSA-N 1 2 314.385 2.999 50 0 DFAALO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)n1 ZINC000069348163 425935020 /nfs/dbraw/zinc/93/50/20/425935020.db2.gz IUZUNSXDKHYOQG-STQMWFEESA-N 1 2 318.396 2.957 50 0 DFAALO Cc1noc([C@@H](C)N2CC[NH+]([C@H](C)c3ccccc3F)CC2)n1 ZINC000069348166 425935737 /nfs/dbraw/zinc/93/57/37/425935737.db2.gz IUZUNSXDKHYOQG-CHWSQXEVSA-N 1 2 318.396 2.957 50 0 DFAALO COc1ccccc1OCC[N@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000069374757 425937681 /nfs/dbraw/zinc/93/76/81/425937681.db2.gz JUGOLJQSICKTQN-UHFFFAOYSA-N 1 2 319.405 2.887 50 0 DFAALO COc1ccccc1OCC[N@@H+](C)Cc1nc(C(C)(C)C)no1 ZINC000069374757 425937684 /nfs/dbraw/zinc/93/76/84/425937684.db2.gz JUGOLJQSICKTQN-UHFFFAOYSA-N 1 2 319.405 2.887 50 0 DFAALO Cc1onc(-c2ccccc2)c1C(=O)NCCCn1cc[nH+]c1 ZINC000001795900 425587453 /nfs/dbraw/zinc/58/74/53/425587453.db2.gz KZRGLZSJVNLGOM-UHFFFAOYSA-N 1 2 310.357 2.667 50 0 DFAALO CCc1c(C)scc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000002755029 425602351 /nfs/dbraw/zinc/60/23/51/425602351.db2.gz XRPFRNBXOILXDI-UHFFFAOYSA-N 1 2 315.442 2.976 50 0 DFAALO COc1ccc(CC(=O)NCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000002960822 425606981 /nfs/dbraw/zinc/60/69/81/425606981.db2.gz MWFQSAIILNOIAM-UHFFFAOYSA-N 1 2 309.369 2.510 50 0 DFAALO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000007782734 425652834 /nfs/dbraw/zinc/65/28/34/425652834.db2.gz MNPHEUXFPRAAFU-UHFFFAOYSA-N 1 2 308.381 2.886 50 0 DFAALO CC(=O)c1cccc(NC(=O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000007782734 425652839 /nfs/dbraw/zinc/65/28/39/425652839.db2.gz MNPHEUXFPRAAFU-UHFFFAOYSA-N 1 2 308.381 2.886 50 0 DFAALO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)o2)cc1OC ZINC000007975784 425656231 /nfs/dbraw/zinc/65/62/31/425656231.db2.gz CRRNIYSFUWBEST-UHFFFAOYSA-N 1 2 318.373 2.676 50 0 DFAALO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)o2)cc1OC ZINC000007975784 425656233 /nfs/dbraw/zinc/65/62/33/425656233.db2.gz CRRNIYSFUWBEST-UHFFFAOYSA-N 1 2 318.373 2.676 50 0 DFAALO Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012891 425658515 /nfs/dbraw/zinc/65/85/15/425658515.db2.gz PTFMTROQBSVMLH-LBPRGKRZSA-N 1 2 324.384 2.897 50 0 DFAALO OCC1CC[NH+](Cc2nc(Cc3ccccc3Cl)no2)CC1 ZINC000012718869 425735838 /nfs/dbraw/zinc/73/58/38/425735838.db2.gz PAIOUHGNWUEYKC-UHFFFAOYSA-N 1 2 321.808 2.518 50 0 DFAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCCC1)c1ccc(F)cc1 ZINC000009378304 425687109 /nfs/dbraw/zinc/68/71/09/425687109.db2.gz ADMADRLIWSKQSD-HNNXBMFYSA-N 1 2 301.365 2.955 50 0 DFAALO C[NH+](C)CCC[NH2+]Cc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000012406747 425725483 /nfs/dbraw/zinc/72/54/83/425725483.db2.gz AVQFFOFCIAIRNK-UHFFFAOYSA-N 1 2 302.374 2.686 50 0 DFAALO NC(=O)[C@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000026225598 425810756 /nfs/dbraw/zinc/81/07/56/425810756.db2.gz BAQDJBCWEMWGKJ-CQSZACIVSA-N 1 2 324.302 2.901 50 0 DFAALO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccccc21)c1ccsc1 ZINC000025331491 425804019 /nfs/dbraw/zinc/80/40/19/425804019.db2.gz WAWFPESSDFYHCT-AWEZNQCLSA-N 1 2 314.414 2.657 50 0 DFAALO C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025413476 425805448 /nfs/dbraw/zinc/80/54/48/425805448.db2.gz FMCIVHANBUYTSD-MCIONIFRSA-N 1 2 313.401 2.671 50 0 DFAALO C[C@H]1CCCC[C@@]12NC(=O)N(C[N@H+](C)Cc1ccccc1)C2=O ZINC000013061729 425746168 /nfs/dbraw/zinc/74/61/68/425746168.db2.gz RUXBWDRZDPQUSY-KBXCAEBGSA-N 1 2 315.417 2.577 50 0 DFAALO C[C@H]1CCCC[C@@]12NC(=O)N(C[N@@H+](C)Cc1ccccc1)C2=O ZINC000013061729 425746173 /nfs/dbraw/zinc/74/61/73/425746173.db2.gz RUXBWDRZDPQUSY-KBXCAEBGSA-N 1 2 315.417 2.577 50 0 DFAALO Cc1ccccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013324349 425751794 /nfs/dbraw/zinc/75/17/94/425751794.db2.gz MBZXDBTYARORNR-UHFFFAOYSA-N 1 2 310.401 2.740 50 0 DFAALO C[C@@H]1C[NH+](CCNC(=O)Nc2cccc(Cl)c2)C[C@@H](C)O1 ZINC000026224981 425810237 /nfs/dbraw/zinc/81/02/37/425810237.db2.gz VJFQBMGBSFBKME-VXGBXAGGSA-N 1 2 311.813 2.571 50 0 DFAALO CCc1ccc(C(=O)Cn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000013633577 425757227 /nfs/dbraw/zinc/75/72/27/425757227.db2.gz LYEXUZAPKWUJHA-UHFFFAOYSA-N 1 2 323.396 2.886 50 0 DFAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000013594570 425757338 /nfs/dbraw/zinc/75/73/38/425757338.db2.gz UXMKJWOVJNFDLS-CYBMUJFWSA-N 1 2 316.430 2.524 50 0 DFAALO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000013594570 425757343 /nfs/dbraw/zinc/75/73/43/425757343.db2.gz UXMKJWOVJNFDLS-CYBMUJFWSA-N 1 2 316.430 2.524 50 0 DFAALO NC(=O)[C@@H]([NH2+]Cc1ccccc1OC(F)(F)F)c1ccccc1 ZINC000026225596 425810432 /nfs/dbraw/zinc/81/04/32/425810432.db2.gz BAQDJBCWEMWGKJ-AWEZNQCLSA-N 1 2 324.302 2.901 50 0 DFAALO c1coc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000014084971 425765978 /nfs/dbraw/zinc/76/59/78/425765978.db2.gz MKQJXZGBNNFHRX-UHFFFAOYSA-N 1 2 300.387 2.607 50 0 DFAALO O=C(c1ccco1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000044896326 425858446 /nfs/dbraw/zinc/85/84/46/425858446.db2.gz GBFHRDAGUMCYFZ-UHFFFAOYSA-N 1 2 321.380 2.786 50 0 DFAALO O=C(Cc1cccs1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000044911060 425858628 /nfs/dbraw/zinc/85/86/28/425858628.db2.gz VFIAXPUANWXHMU-UHFFFAOYSA-N 1 2 301.415 2.602 50 0 DFAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccco3)no2)on1 ZINC000044943990 425858821 /nfs/dbraw/zinc/85/88/21/425858821.db2.gz VMGNBPQXQLPKGC-NSHDSACASA-N 1 2 300.318 2.963 50 0 DFAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccco3)no2)on1 ZINC000044943990 425858822 /nfs/dbraw/zinc/85/88/22/425858822.db2.gz VMGNBPQXQLPKGC-NSHDSACASA-N 1 2 300.318 2.963 50 0 DFAALO O=C(NCCCn1cc[nH+]c1)N1CCCc2cc(F)ccc21 ZINC000044935777 425858868 /nfs/dbraw/zinc/85/88/68/425858868.db2.gz YIFRDLNXCWUACD-UHFFFAOYSA-N 1 2 302.353 2.575 50 0 DFAALO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000027673600 425817933 /nfs/dbraw/zinc/81/79/33/425817933.db2.gz GZSLUCBSOIJEQC-GOSISDBHSA-N 1 2 316.445 2.584 50 0 DFAALO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C1CCCCC1 ZINC000027673600 425817935 /nfs/dbraw/zinc/81/79/35/425817935.db2.gz GZSLUCBSOIJEQC-GOSISDBHSA-N 1 2 316.445 2.584 50 0 DFAALO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000028226003 425820856 /nfs/dbraw/zinc/82/08/56/425820856.db2.gz QQSKNQLVCCMEEY-DLBZAZTESA-N 1 2 307.397 2.534 50 0 DFAALO OCCNc1nc(NCCc2ccccc2)[nH+]c2ccccc21 ZINC000029078396 425824821 /nfs/dbraw/zinc/82/48/21/425824821.db2.gz OMQLVSPZWQYHQI-UHFFFAOYSA-N 1 2 308.385 2.689 50 0 DFAALO CCCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000029723272 425828191 /nfs/dbraw/zinc/82/81/91/425828191.db2.gz ZJOSKDYNKXFFLE-OAHLLOKOSA-N 1 2 316.405 2.617 50 0 DFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000029918084 425829472 /nfs/dbraw/zinc/82/94/72/425829472.db2.gz FWTXFSCBZJJBJK-UHFFFAOYSA-N 1 2 312.760 2.851 50 0 DFAALO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cccnc1Cl ZINC000030299976 425831206 /nfs/dbraw/zinc/83/12/06/425831206.db2.gz VGAQAVRPMGVZAY-UHFFFAOYSA-N 1 2 316.792 2.660 50 0 DFAALO COc1ccc([C@H](Nc2[nH+]cnc3c2cnn3C)C2CC2)cc1 ZINC000030767841 425832718 /nfs/dbraw/zinc/83/27/18/425832718.db2.gz IZENCOFIPNRUHS-OAHLLOKOSA-N 1 2 309.373 2.935 50 0 DFAALO CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684629 425842689 /nfs/dbraw/zinc/84/26/89/425842689.db2.gz CFCSODNBNLIRPS-KGLIPLIRSA-N 1 2 323.868 2.765 50 0 DFAALO O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000047608255 425870772 /nfs/dbraw/zinc/87/07/72/425870772.db2.gz CDMFBDCOYFVVSR-SFHVURJKSA-N 1 2 321.424 2.883 50 0 DFAALO Cc1ncc2c(n1)CC[N@@H+]([C@@H](C)C(=O)c1c[nH]c3ccccc13)C2 ZINC000048261850 425873932 /nfs/dbraw/zinc/87/39/32/425873932.db2.gz BADFJFNPTCGPAT-LBPRGKRZSA-N 1 2 320.396 2.896 50 0 DFAALO Cc1ncc2c(n1)CC[N@H+]([C@@H](C)C(=O)c1c[nH]c3ccccc13)C2 ZINC000048261850 425873933 /nfs/dbraw/zinc/87/39/33/425873933.db2.gz BADFJFNPTCGPAT-LBPRGKRZSA-N 1 2 320.396 2.896 50 0 DFAALO Cc1nc(C(C)C)sc1C(=O)NCc1cc[nH+]c(N(C)C)c1 ZINC000048274074 425874145 /nfs/dbraw/zinc/87/41/45/425874145.db2.gz WIVIUFFOAHUDFU-UHFFFAOYSA-N 1 2 318.446 2.966 50 0 DFAALO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)NCCc1ccsc1 ZINC000048332258 425874745 /nfs/dbraw/zinc/87/47/45/425874745.db2.gz LIQSHZSHZWXZKH-AWEZNQCLSA-N 1 2 320.462 2.901 50 0 DFAALO CC(C)(C)n1cc(C[NH2+]Cc2nncn2-c2ccccc2)cn1 ZINC000048711643 425877244 /nfs/dbraw/zinc/87/72/44/425877244.db2.gz CSHJZEUEJNYCAY-UHFFFAOYSA-N 1 2 310.405 2.509 50 0 DFAALO C/C=C/C=C/C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000048817121 425877731 /nfs/dbraw/zinc/87/77/31/425877731.db2.gz DNEGMCKRXUMEFA-MQQKCMAXSA-N 1 2 320.190 2.845 50 0 DFAALO C[C@H](Cc1ccsc1)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000106929011 425981527 /nfs/dbraw/zinc/98/15/27/425981527.db2.gz SUJVKKXQVXYXOG-OCCSQVGLSA-N 1 2 318.446 2.542 50 0 DFAALO C[C@H](Cc1ccsc1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000106929011 425981532 /nfs/dbraw/zinc/98/15/32/425981532.db2.gz SUJVKKXQVXYXOG-OCCSQVGLSA-N 1 2 318.446 2.542 50 0 DFAALO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000071830781 425993259 /nfs/dbraw/zinc/99/32/59/425993259.db2.gz XNHREYPQVAKHSP-VNHYZAJKSA-N 1 2 316.449 2.765 50 0 DFAALO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000071830781 425993261 /nfs/dbraw/zinc/99/32/61/425993261.db2.gz XNHREYPQVAKHSP-VNHYZAJKSA-N 1 2 316.449 2.765 50 0 DFAALO COc1ccc(-c2nc(C[N@@H+]3CCOC(C)(C)C3)co2)cc1 ZINC000071841988 425994699 /nfs/dbraw/zinc/99/46/99/425994699.db2.gz YFAQZBKTGHYVTP-UHFFFAOYSA-N 1 2 302.374 2.961 50 0 DFAALO COc1ccc(-c2nc(C[N@H+]3CCOC(C)(C)C3)co2)cc1 ZINC000071841988 425994700 /nfs/dbraw/zinc/99/47/00/425994700.db2.gz YFAQZBKTGHYVTP-UHFFFAOYSA-N 1 2 302.374 2.961 50 0 DFAALO C[C@H](CNC(=O)NCc1ccccc1Cl)Cn1cc[nH+]c1 ZINC000071856557 425995100 /nfs/dbraw/zinc/99/51/00/425995100.db2.gz VLTXBWVBFLPLOA-GFCCVEGCSA-N 1 2 306.797 2.672 50 0 DFAALO C[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000071856738 425996033 /nfs/dbraw/zinc/99/60/33/425996033.db2.gz GNIUOBBQWBDDOG-HIFRSBDPSA-N 1 2 302.422 2.538 50 0 DFAALO C[C@@H](C(=O)NCC1(O)CCC(C(C)(C)C)CC1)n1cc[nH+]c1 ZINC000071898083 426001016 /nfs/dbraw/zinc/00/10/16/426001016.db2.gz LZEFDXWQRFMVEW-CBCUQQMYSA-N 1 2 307.438 2.528 50 0 DFAALO COc1ccc(C2(C[NH2+][C@@H]3CCOC3=O)CCCCC2)cc1 ZINC000071902601 426002517 /nfs/dbraw/zinc/00/25/17/426002517.db2.gz MZFLZYZEERLYGG-MRXNPFEDSA-N 1 2 303.402 2.802 50 0 DFAALO CCCCC[N@H+](CCO)Cc1noc(Cc2ccccc2)n1 ZINC000071902322 426002630 /nfs/dbraw/zinc/00/26/30/426002630.db2.gz UGVFCAXGQHVZJR-UHFFFAOYSA-N 1 2 303.406 2.645 50 0 DFAALO CCCCC[N@@H+](CCO)Cc1noc(Cc2ccccc2)n1 ZINC000071902322 426002635 /nfs/dbraw/zinc/00/26/35/426002635.db2.gz UGVFCAXGQHVZJR-UHFFFAOYSA-N 1 2 303.406 2.645 50 0 DFAALO CCc1nc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)cs1 ZINC000071915643 426004090 /nfs/dbraw/zinc/00/40/90/426004090.db2.gz FKHGBQCLDGQUGO-AWEZNQCLSA-N 1 2 316.474 2.979 50 0 DFAALO c1cnn(-c2ccc(C[N@@H+]3CCc4c(ncn4C4CC4)C3)cc2)c1 ZINC000069531160 425945786 /nfs/dbraw/zinc/94/57/86/425945786.db2.gz QMNDZZCJEQHGAG-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO c1cnn(-c2ccc(C[N@H+]3CCc4c(ncn4C4CC4)C3)cc2)c1 ZINC000069531160 425945790 /nfs/dbraw/zinc/94/57/90/425945790.db2.gz QMNDZZCJEQHGAG-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO c1cnn(-c2ccc(CN3CCc4c([nH+]cn4C4CC4)C3)cc2)c1 ZINC000069531160 425945792 /nfs/dbraw/zinc/94/57/92/425945792.db2.gz QMNDZZCJEQHGAG-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO CN1CCc2cc(NC(=O)c3ccc(-n4cc[nH+]c4)nc3)ccc21 ZINC000069619411 425949137 /nfs/dbraw/zinc/94/91/37/425949137.db2.gz RDXJJQGSTHVHEI-UHFFFAOYSA-N 1 2 319.368 2.512 50 0 DFAALO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069699231 425953922 /nfs/dbraw/zinc/95/39/22/425953922.db2.gz MUBUQUOPDDKGQH-HNNXBMFYSA-N 1 2 308.385 2.771 50 0 DFAALO Cc1occc1COC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000069706995 425954555 /nfs/dbraw/zinc/95/45/55/425954555.db2.gz FIADYQUCQINTDK-AWEZNQCLSA-N 1 2 300.358 2.943 50 0 DFAALO O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069742229 425955094 /nfs/dbraw/zinc/95/50/94/425955094.db2.gz SRGIYDOBYVGEMK-GFCCVEGCSA-N 1 2 312.329 2.608 50 0 DFAALO O=C(c1cc2c(cccc2F)[nH]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069774287 425956092 /nfs/dbraw/zinc/95/60/92/425956092.db2.gz AKSMKKZXLBUCFC-GFCCVEGCSA-N 1 2 312.348 2.981 50 0 DFAALO Cn1ncc2c1nc[nH+]c2N[C@H]1CCC[C@H]1Oc1ccccc1 ZINC000069774963 425956857 /nfs/dbraw/zinc/95/68/57/425956857.db2.gz VBJWDSFAGIOLSM-LSDHHAIUSA-N 1 2 309.373 2.775 50 0 DFAALO O=C(NCc1ccccc1-n1cc[nH+]c1)NOCc1ccccc1 ZINC000069776467 425956896 /nfs/dbraw/zinc/95/68/96/425956896.db2.gz IBVZIEPIQGBXJY-UHFFFAOYSA-N 1 2 322.368 2.803 50 0 DFAALO Brc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1 ZINC000069846696 425961043 /nfs/dbraw/zinc/96/10/43/425961043.db2.gz WFTGHSHRCHAHFD-CYBMUJFWSA-N 1 2 322.206 2.746 50 0 DFAALO O=C(Cc1cccc2cccnc21)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069919533 425962957 /nfs/dbraw/zinc/96/29/57/425962957.db2.gz CKRYXUCQSAZEBL-KRWDZBQOSA-N 1 2 320.396 2.838 50 0 DFAALO Cc1ccc(C)n1-c1c(C(=O)Nc2cc[nH+]cc2C)cnn1C ZINC000069977424 425965644 /nfs/dbraw/zinc/96/56/44/425965644.db2.gz WMDCMVFNQTVBLU-UHFFFAOYSA-N 1 2 309.373 2.783 50 0 DFAALO COc1c(C)cc(CN(C)C(=O)CCn2cc[nH+]c2)cc1C ZINC000070019754 425966090 /nfs/dbraw/zinc/96/60/90/425966090.db2.gz IRQGJPMPFQWEDS-UHFFFAOYSA-N 1 2 301.390 2.557 50 0 DFAALO CO[C@@H](CNC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)(C)C ZINC000074166732 426043209 /nfs/dbraw/zinc/04/32/09/426043209.db2.gz GAGOJLMSOJOPJX-AWEZNQCLSA-N 1 2 318.421 2.503 50 0 DFAALO CN(C)c1[nH+]cccc1N(C)C(=O)Cc1c[nH]c2ccccc12 ZINC000075106200 426062429 /nfs/dbraw/zinc/06/24/29/426062429.db2.gz WBNLYJPTTGIGCG-UHFFFAOYSA-N 1 2 308.385 2.834 50 0 DFAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nnc(C(C)C)o1 ZINC000075132504 426063442 /nfs/dbraw/zinc/06/34/42/426063442.db2.gz JWHSZEWDYOGUKH-CYBMUJFWSA-N 1 2 303.410 2.880 50 0 DFAALO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nnc(C(C)C)o1 ZINC000075132504 426063447 /nfs/dbraw/zinc/06/34/47/426063447.db2.gz JWHSZEWDYOGUKH-CYBMUJFWSA-N 1 2 303.410 2.880 50 0 DFAALO O=C(NCc1cccs1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000075154691 426064810 /nfs/dbraw/zinc/06/48/10/426064810.db2.gz WNZYRZZZHSXFJP-UHFFFAOYSA-N 1 2 304.419 2.566 50 0 DFAALO CCC(CC)c1cc(C(=O)N[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000072295312 426012846 /nfs/dbraw/zinc/01/28/46/426012846.db2.gz VIZWUJGKLDERGT-LBPRGKRZSA-N 1 2 302.378 2.520 50 0 DFAALO CCc1cc(NCCSCc2[nH]c[nH+]c2C)n2nccc2n1 ZINC000072456615 426014833 /nfs/dbraw/zinc/01/48/33/426014833.db2.gz MBBYXLOWKAZEJH-UHFFFAOYSA-N 1 2 316.434 2.669 50 0 DFAALO Cc1csc([C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCO2)n1 ZINC000128030389 426097843 /nfs/dbraw/zinc/09/78/43/426097843.db2.gz HLYSWSBBWSSKCE-OAHLLOKOSA-N 1 2 314.414 2.901 50 0 DFAALO Cc1csc([C@H]2C[N@@H+](Cc3ccc4c[nH]nc4c3)CCO2)n1 ZINC000128030389 426097847 /nfs/dbraw/zinc/09/78/47/426097847.db2.gz HLYSWSBBWSSKCE-OAHLLOKOSA-N 1 2 314.414 2.901 50 0 DFAALO CC(C)c1cc(C(=O)NCCc2c[nH+]c[nH]2)n(-c2ccccc2)n1 ZINC000170625253 426141527 /nfs/dbraw/zinc/14/15/27/426141527.db2.gz VHMARZZZLCUCNX-UHFFFAOYSA-N 1 2 323.400 2.691 50 0 DFAALO CC(C)c1cc(C(=O)NCCc2c[nH]c[nH+]2)n(-c2ccccc2)n1 ZINC000170625253 426141530 /nfs/dbraw/zinc/14/15/30/426141530.db2.gz VHMARZZZLCUCNX-UHFFFAOYSA-N 1 2 323.400 2.691 50 0 DFAALO COC(C[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC000118975312 426253093 /nfs/dbraw/zinc/25/30/93/426253093.db2.gz VFDZLYKPNNBUSC-ZDUSSCGKSA-N 1 2 319.323 2.698 50 0 DFAALO COC(C[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)OC ZINC000118975312 426253097 /nfs/dbraw/zinc/25/30/97/426253097.db2.gz VFDZLYKPNNBUSC-ZDUSSCGKSA-N 1 2 319.323 2.698 50 0 DFAALO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](C)C1CCC1 ZINC000089536950 426295314 /nfs/dbraw/zinc/29/53/14/426295314.db2.gz USRQRODVNKDBOC-GFCCVEGCSA-N 1 2 318.421 2.537 50 0 DFAALO COC(=O)c1cc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)oc1C ZINC000089536621 426295715 /nfs/dbraw/zinc/29/57/15/426295715.db2.gz KVGQXMJJEQTSPR-AWEZNQCLSA-N 1 2 303.362 2.825 50 0 DFAALO Cc1cccn2cc(CCNC(=O)NC(C3CC3)C3CC3)[nH+]c12 ZINC000089700403 426302742 /nfs/dbraw/zinc/30/27/42/426302742.db2.gz MTDUZFALNRRIPE-UHFFFAOYSA-N 1 2 312.417 2.673 50 0 DFAALO O=C(c1cc(C2CC2)on1)N1CC[NH+](Cc2cccs2)CC1 ZINC000089800011 426309424 /nfs/dbraw/zinc/30/94/24/426309424.db2.gz WPDLRIKDCSSNLV-UHFFFAOYSA-N 1 2 317.414 2.572 50 0 DFAALO CC[C@@](O)(C[NH2+]Cc1ccn[nH]1)c1ccc(Br)cc1 ZINC000089943457 426320958 /nfs/dbraw/zinc/32/09/58/426320958.db2.gz ODJQHIFHXVAAOK-CQSZACIVSA-N 1 2 324.222 2.560 50 0 DFAALO C[C@@H](O)c1cccc(N(C)Cc2cnn(-c3ccccc3)c2)[nH+]1 ZINC000096164188 426402851 /nfs/dbraw/zinc/40/28/51/426402851.db2.gz PQMGPUIKRMFAEO-CQSZACIVSA-N 1 2 308.385 2.957 50 0 DFAALO Cc1ccc(S[C@H](C)C(=O)N2CCc3[nH]c[nH+]c3C2)cc1 ZINC000095356747 426366989 /nfs/dbraw/zinc/36/69/89/426366989.db2.gz XRMJQDPVVLEGMM-GFCCVEGCSA-N 1 2 301.415 2.784 50 0 DFAALO Cc1ccc(S[C@H](C)C(=O)N2CCc3[nH+]c[nH]c3C2)cc1 ZINC000095356747 426366993 /nfs/dbraw/zinc/36/69/93/426366993.db2.gz XRMJQDPVVLEGMM-GFCCVEGCSA-N 1 2 301.415 2.784 50 0 DFAALO CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NC1CCOCC1 ZINC000095361454 426367567 /nfs/dbraw/zinc/36/75/67/426367567.db2.gz XVYHBOKZAKBYNY-OAHLLOKOSA-N 1 2 315.417 2.845 50 0 DFAALO c1cnn(-c2ncccc2NCc2ccc(N3CCCC3)[nH+]c2)c1 ZINC000095939357 426375001 /nfs/dbraw/zinc/37/50/01/426375001.db2.gz PQUSGOLWEYOLKC-UHFFFAOYSA-N 1 2 320.400 2.875 50 0 DFAALO 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O=C(NCc1[nH+]ccn1Cc1ccccc1)Nc1cccnc1 ZINC000096434083 426423728 /nfs/dbraw/zinc/42/37/28/426423728.db2.gz DONRWDOIVODAEN-UHFFFAOYSA-N 1 2 307.357 2.648 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000096439072 426424567 /nfs/dbraw/zinc/42/45/67/426424567.db2.gz YBRUSJQLYVBDHO-HIFRSBDPSA-N 1 2 302.422 2.622 50 0 DFAALO Cc1[nH]ncc1C[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000096447834 426427780 /nfs/dbraw/zinc/42/77/80/426427780.db2.gz GZYZHNAVOMSMJW-UHFFFAOYSA-N 1 2 300.193 2.622 50 0 DFAALO CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000096462616 426430863 /nfs/dbraw/zinc/43/08/63/426430863.db2.gz YWMIZINGJUGEEI-BFHYXJOUSA-N 1 2 310.467 2.587 50 0 DFAALO C[C@@H](C(=O)N(C)Cc1nccn1C)n1cc[nH+]c1-c1ccccc1 ZINC000096484820 426435125 /nfs/dbraw/zinc/43/51/25/426435125.db2.gz KXVWQYLFCZBVPJ-AWEZNQCLSA-N 1 2 323.400 2.503 50 0 DFAALO C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)n1ccnc1-c1ccccc1 ZINC000096484820 426435127 /nfs/dbraw/zinc/43/51/27/426435127.db2.gz 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CCn1cc[nH+]c1[C@H](Nc1nccc(C)n1)C1CCOCC1 ZINC000284631102 218106888 /nfs/dbraw/zinc/10/68/88/218106888.db2.gz SUBFRWRDIDSBMN-CQSZACIVSA-N 1 2 301.394 2.581 50 0 DFAALO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n(C)n1 ZINC000110642768 194345789 /nfs/dbraw/zinc/34/57/89/194345789.db2.gz FIGWGJORCILYJG-OCCSQVGLSA-N 1 2 316.405 2.733 50 0 DFAALO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)n(C)n1 ZINC000110642768 194345791 /nfs/dbraw/zinc/34/57/91/194345791.db2.gz FIGWGJORCILYJG-OCCSQVGLSA-N 1 2 316.405 2.733 50 0 DFAALO O=C(CC1CCCC1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921537 184021208 /nfs/dbraw/zinc/02/12/08/184021208.db2.gz XYQFSCQHSXBBNX-HNNXBMFYSA-N 1 2 322.474 2.506 50 0 DFAALO CCN(c1ccc(C(=O)NCCn2cc[nH+]c2)cc1)C(C)C ZINC000058250050 184094807 /nfs/dbraw/zinc/09/48/07/184094807.db2.gz UIFQNDQOYDXDBX-UHFFFAOYSA-N 1 2 300.406 2.548 50 0 DFAALO C[C@]1(C(=O)NCCc2[nH+]ccn2C(F)F)CC1(Cl)Cl ZINC000058265020 184096009 /nfs/dbraw/zinc/09/60/09/184096009.db2.gz 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Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccco2)on1 ZINC000065458992 184348201 /nfs/dbraw/zinc/34/82/01/184348201.db2.gz CSZPVVSVAAAJSY-STQMWFEESA-N 1 2 303.362 2.590 50 0 DFAALO Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccco2)on1 ZINC000065458992 184348203 /nfs/dbraw/zinc/34/82/03/184348203.db2.gz CSZPVVSVAAAJSY-STQMWFEESA-N 1 2 303.362 2.590 50 0 DFAALO CCCCc1[nH]c([C@H]2CC(=O)Nc3cc(O)c(OC)cc32)c[nH+]1 ZINC000065526185 184359548 /nfs/dbraw/zinc/35/95/48/184359548.db2.gz FMSHBJITFWCOGK-NSHDSACASA-N 1 2 315.373 2.941 50 0 DFAALO CCCCc1[nH]cc([C@H]2CC(=O)Nc3cc(O)c(OC)cc32)[nH+]1 ZINC000065526185 184359549 /nfs/dbraw/zinc/35/95/49/184359549.db2.gz FMSHBJITFWCOGK-NSHDSACASA-N 1 2 315.373 2.941 50 0 DFAALO COc1cccc(OC[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000065527390 184360466 /nfs/dbraw/zinc/36/04/66/184360466.db2.gz MZAGFUBFOPZHRX-CQSZACIVSA-N 1 2 301.390 2.709 50 0 DFAALO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)c1 ZINC000065527390 184360467 /nfs/dbraw/zinc/36/04/67/184360467.db2.gz 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c1csc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)c1 ZINC000013127122 285569825 /nfs/dbraw/zinc/56/98/25/285569825.db2.gz TXVAHHFZOAPEOR-OAHLLOKOSA-N 1 2 308.366 2.811 50 0 DFAALO CCC(CC)[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000221791295 542882130 /nfs/dbraw/zinc/88/21/30/542882130.db2.gz YQDORLCHQGKIPK-DJIMGWMZSA-N 1 2 310.482 2.818 50 0 DFAALO C/C=C\C[S@@](=O)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000221840470 542882590 /nfs/dbraw/zinc/88/25/90/542882590.db2.gz SFHMRAZLCAEITD-BAHPRDJBSA-N 1 2 313.220 2.922 50 0 DFAALO CSCc1noc(CNC(=O)Nc2c(C)cc(C)[nH+]c2C)n1 ZINC000299760099 543043994 /nfs/dbraw/zinc/04/39/94/543043994.db2.gz RKCOVRFKKZREIZ-UHFFFAOYSA-N 1 2 321.406 2.575 50 0 DFAALO Cc1nnc(C[N@H+](C)C[C@H]2CCN(c3ccccc3)C2)s1 ZINC000299764046 543044060 /nfs/dbraw/zinc/04/40/60/543044060.db2.gz JRJIHSOOLXYGPS-CQSZACIVSA-N 1 2 302.447 2.805 50 0 DFAALO Cc1nnc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)s1 ZINC000299764046 543044064 /nfs/dbraw/zinc/04/40/64/543044064.db2.gz JRJIHSOOLXYGPS-CQSZACIVSA-N 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ZINC000096484821 426434403 /nfs/dbraw/zinc/43/44/03/426434403.db2.gz KXVWQYLFCZBVPJ-CQSZACIVSA-N 1 2 323.400 2.503 50 0 DFAALO C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)n1ccnc1-c1ccccc1 ZINC000096484821 426434406 /nfs/dbraw/zinc/43/44/06/426434406.db2.gz KXVWQYLFCZBVPJ-CQSZACIVSA-N 1 2 323.400 2.503 50 0 DFAALO CCn1cnnc1C[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000097034435 426440473 /nfs/dbraw/zinc/44/04/73/426440473.db2.gz QRGYKJWOCAYELZ-NSHDSACASA-N 1 2 300.362 2.904 50 0 DFAALO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1csnn1 ZINC000097048907 426444285 /nfs/dbraw/zinc/44/42/85/426444285.db2.gz HTIBTSUYHXFVQM-SSDOTTSWSA-N 1 2 319.356 2.765 50 0 DFAALO COCc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000097138994 426452941 /nfs/dbraw/zinc/45/29/41/426452941.db2.gz PWPXXKBKJWSBJG-UHFFFAOYSA-N 1 2 311.429 2.546 50 0 DFAALO O=C(NCc1[nH]cc[nH+]1)C1(Cc2nc3ccccc3[nH]2)CCCC1 ZINC000097115144 426452103 /nfs/dbraw/zinc/45/21/03/426452103.db2.gz JYWKJCZYJBUUQO-UHFFFAOYSA-N 1 2 323.400 2.705 50 0 DFAALO 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ZINC000328638134 398569035 /nfs/dbraw/zinc/56/90/35/398569035.db2.gz OYKIELQGKPTNHF-INIZCTEOSA-N 1 2 312.373 2.618 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000328638134 398569038 /nfs/dbraw/zinc/56/90/38/398569038.db2.gz OYKIELQGKPTNHF-INIZCTEOSA-N 1 2 312.373 2.618 50 0 DFAALO CCc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328639871 398568432 /nfs/dbraw/zinc/56/84/32/398568432.db2.gz PTHGZTNSNHAWBX-QGZVFWFLSA-N 1 2 313.449 2.922 50 0 DFAALO C[C@H](c1nnc(-c2ccccc2)o1)N1CCc2c([nH+]cn2C)C1 ZINC000069571170 398576225 /nfs/dbraw/zinc/57/62/25/398576225.db2.gz DIUKIHBOROQXFD-GFCCVEGCSA-N 1 2 309.373 2.589 50 0 DFAALO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cn1 ZINC000071749071 191020572 /nfs/dbraw/zinc/02/05/72/191020572.db2.gz UBLSOQLGYBKLEU-UHFFFAOYSA-N 1 2 312.760 2.851 50 0 DFAALO Cc1ccc(-c2ccnc(N3CCC4(CCO4)CC3)n2)c(C)[nH+]1 ZINC000071754502 191025156 /nfs/dbraw/zinc/02/51/56/191025156.db2.gz YIOHPLFYJHAKGG-UHFFFAOYSA-N 1 2 310.401 2.915 50 0 DFAALO Cc1cc([C@H]2CCC[N@@H+]2Cc2cn(-c3ccccc3)nn2)on1 ZINC000072163411 191063892 /nfs/dbraw/zinc/06/38/92/191063892.db2.gz AZXXZCGNLANWSY-MRXNPFEDSA-N 1 2 309.373 2.901 50 0 DFAALO Cc1cc([C@H]2CCC[N@H+]2Cc2cn(-c3ccccc3)nn2)on1 ZINC000072163411 191063894 /nfs/dbraw/zinc/06/38/94/191063894.db2.gz AZXXZCGNLANWSY-MRXNPFEDSA-N 1 2 309.373 2.901 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000072253609 191087749 /nfs/dbraw/zinc/08/77/49/191087749.db2.gz OQGCYVDFPUWCFD-ZDUSSCGKSA-N 1 2 324.856 2.531 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCCCC1 ZINC000072253609 191087751 /nfs/dbraw/zinc/08/77/51/191087751.db2.gz OQGCYVDFPUWCFD-ZDUSSCGKSA-N 1 2 324.856 2.531 50 0 DFAALO Cc1csc([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000072273916 191095155 /nfs/dbraw/zinc/09/51/55/191095155.db2.gz BRIVZVLUMOBYHI-CYBMUJFWSA-N 1 2 304.419 2.792 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1csc(C(C)C)n1)C2 ZINC000072282649 191102379 /nfs/dbraw/zinc/10/23/79/191102379.db2.gz 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398668348 /nfs/dbraw/zinc/66/83/48/398668348.db2.gz LNGWKKRNFYTECJ-UHFFFAOYSA-N 1 2 323.396 2.637 50 0 DFAALO COc1ccc(-c2ccc(=O)n(C[NH+]3CCCCCC3)n2)cc1 ZINC000072402187 191151310 /nfs/dbraw/zinc/15/13/10/191151310.db2.gz CCZGLXSNXCOULE-UHFFFAOYSA-N 1 2 313.401 2.752 50 0 DFAALO Cc1[nH+]c2cc(CNc3cc(C)nc4ccnn43)ccc2n1C ZINC000072463092 191172715 /nfs/dbraw/zinc/17/27/15/191172715.db2.gz XEPGVNXFLVKGFJ-UHFFFAOYSA-N 1 2 306.373 2.845 50 0 DFAALO COc1ccccc1NC(=O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000072663155 191210326 /nfs/dbraw/zinc/21/03/26/191210326.db2.gz IBWXCVRWMULKPT-UHFFFAOYSA-N 1 2 319.430 2.924 50 0 DFAALO c1cn(-c2ccc(Oc3nnnn3-c3ccccc3)cc2)c[nH+]1 ZINC000003490992 181026430 /nfs/dbraw/zinc/02/64/30/181026430.db2.gz CBVWHRCGFLHGCV-UHFFFAOYSA-N 1 2 304.313 2.640 50 0 DFAALO C[C@H](C1CC1)N(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000073719440 191346872 /nfs/dbraw/zinc/34/68/72/191346872.db2.gz GLTROCORRRZGIF-CYBMUJFWSA-N 1 2 316.449 2.734 50 0 DFAALO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2ccco2)CC1 ZINC000005041466 181195644 /nfs/dbraw/zinc/19/56/44/181195644.db2.gz QUIXOZCNJFDRFD-UHFFFAOYSA-N 1 2 321.327 2.908 50 0 DFAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)NC(C)(C)C)CC2 ZINC000005487563 181249124 /nfs/dbraw/zinc/24/91/24/181249124.db2.gz VWWXLOLRFPSWSO-GFCCVEGCSA-N 1 2 320.433 2.538 50 0 DFAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)NC(C)(C)C)CC2 ZINC000005487563 181249127 /nfs/dbraw/zinc/24/91/27/181249127.db2.gz VWWXLOLRFPSWSO-GFCCVEGCSA-N 1 2 320.433 2.538 50 0 DFAALO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000051112609 425882877 /nfs/dbraw/zinc/88/28/77/425882877.db2.gz UCOCLHSGGJNMGH-AWEZNQCLSA-N 1 2 305.385 2.782 50 0 DFAALO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000051112609 425882878 /nfs/dbraw/zinc/88/28/78/425882878.db2.gz UCOCLHSGGJNMGH-AWEZNQCLSA-N 1 2 305.385 2.782 50 0 DFAALO CCC[N@@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000095384925 283356357 /nfs/dbraw/zinc/35/63/57/283356357.db2.gz QFHDFWSMRZQOKQ-DOTOQJQBSA-N 1 2 302.418 2.691 50 0 DFAALO CCC[N@H+]1C[C@H]2CC[C@@H]1C[NH+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000095384925 283356358 /nfs/dbraw/zinc/35/63/58/283356358.db2.gz QFHDFWSMRZQOKQ-DOTOQJQBSA-N 1 2 302.418 2.691 50 0 DFAALO CCC[NH+]1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000095384925 283356360 /nfs/dbraw/zinc/35/63/60/283356360.db2.gz QFHDFWSMRZQOKQ-DOTOQJQBSA-N 1 2 302.418 2.691 50 0 DFAALO CCC[NH+]1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000095384925 283356361 /nfs/dbraw/zinc/35/63/61/283356361.db2.gz QFHDFWSMRZQOKQ-DOTOQJQBSA-N 1 2 302.418 2.691 50 0 DFAALO C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1[nH]cc[nH+]1 ZINC000141423812 398895178 /nfs/dbraw/zinc/89/51/78/398895178.db2.gz QYVKKKXULWOAHR-LLVKDONJSA-N 1 2 307.419 2.747 50 0 DFAALO CCc1cnccc1C(=O)N1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000163141098 398985853 /nfs/dbraw/zinc/98/58/53/398985853.db2.gz KJRFNXKZYYYBKR-OAHLLOKOSA-N 1 2 324.428 2.558 50 0 DFAALO CCCNC(=O)[C@@H]1CCc2[nH+]cc(-c3ccc(F)cc3)n2C1 ZINC000169768347 399000194 /nfs/dbraw/zinc/00/01/94/399000194.db2.gz QNEOPPIJNCSIHA-CYBMUJFWSA-N 1 2 301.365 2.778 50 0 DFAALO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275460531 212348009 /nfs/dbraw/zinc/34/80/09/212348009.db2.gz HBPBFOHSQREKMP-KRWDZBQOSA-N 1 2 324.428 2.725 50 0 DFAALO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000275460531 212348013 /nfs/dbraw/zinc/34/80/13/212348013.db2.gz HBPBFOHSQREKMP-KRWDZBQOSA-N 1 2 324.428 2.725 50 0 DFAALO c1nn(Cc2ccccc2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000006719128 181376986 /nfs/dbraw/zinc/37/69/86/181376986.db2.gz RCILSFNJQRPJGR-UHFFFAOYSA-N 1 2 316.368 2.882 50 0 DFAALO COc1cc(NC(=O)C[NH+]2CCCCC2)c(OC)cc1Cl ZINC000006731320 181379261 /nfs/dbraw/zinc/37/92/61/181379261.db2.gz OCVKPZGNQQAWJG-UHFFFAOYSA-N 1 2 312.797 2.782 50 0 DFAALO O=C1C[N@H+](CCCCCCO)CCN1c1cccc(Cl)c1 ZINC000091440923 193056237 /nfs/dbraw/zinc/05/62/37/193056237.db2.gz GRGXWKIUEFAWOO-UHFFFAOYSA-N 1 2 310.825 2.541 50 0 DFAALO O=C1C[N@@H+](CCCCCCO)CCN1c1cccc(Cl)c1 ZINC000091440923 193056239 /nfs/dbraw/zinc/05/62/39/193056239.db2.gz GRGXWKIUEFAWOO-UHFFFAOYSA-N 1 2 310.825 2.541 50 0 DFAALO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1c[nH+]c[nH]1 ZINC000091755893 193103384 /nfs/dbraw/zinc/10/33/84/193103384.db2.gz BRKVMOZFZUAXHY-CYBMUJFWSA-N 1 2 309.369 2.689 50 0 DFAALO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c[nH+]1 ZINC000091755893 193103385 /nfs/dbraw/zinc/10/33/85/193103385.db2.gz BRKVMOZFZUAXHY-CYBMUJFWSA-N 1 2 309.369 2.689 50 0 DFAALO COCCOC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000093339701 193235047 /nfs/dbraw/zinc/23/50/47/193235047.db2.gz METBYFAJVDFKDQ-UHFFFAOYSA-N 1 2 303.324 2.731 50 0 DFAALO Fc1ccc(/C=C/C[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000093561067 193268181 /nfs/dbraw/zinc/26/81/81/193268181.db2.gz VPLXMYGDTRHJCD-OWOJBTEDSA-N 1 2 301.365 2.645 50 0 DFAALO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(Cc3ccon3)CC2)o1 ZINC000093561026 193268828 /nfs/dbraw/zinc/26/88/28/193268828.db2.gz IDHFRYXYPRVBHW-CJNGLKHVSA-N 1 2 301.390 2.709 50 0 DFAALO CS(=O)(=O)C[C@H]([NH2+]Cc1ccncc1Cl)c1ccccc1 ZINC000095985972 193477549 /nfs/dbraw/zinc/47/75/49/193477549.db2.gz YLINBWIVEHBGKY-HNNXBMFYSA-N 1 2 324.833 2.611 50 0 DFAALO Cc1cnn(CCC(=O)Nc2ccc(-c3[nH+]ccn3C)cc2)c1 ZINC000096410006 193623316 /nfs/dbraw/zinc/62/33/16/193623316.db2.gz LTBHTNGCLNYLIJ-UHFFFAOYSA-N 1 2 309.373 2.621 50 0 DFAALO O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000013010839 181822589 /nfs/dbraw/zinc/82/25/89/181822589.db2.gz YVLHURMJIMCWHN-MRXNPFEDSA-N 1 2 302.349 2.872 50 0 DFAALO O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)NCc1ccco1 ZINC000013010839 181822590 /nfs/dbraw/zinc/82/25/90/181822590.db2.gz YVLHURMJIMCWHN-MRXNPFEDSA-N 1 2 302.349 2.872 50 0 DFAALO O=C(c1cccc(F)c1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019293583 182113423 /nfs/dbraw/zinc/11/34/23/182113423.db2.gz CEMYWIAWMYNWLV-UHFFFAOYSA-N 1 2 316.351 2.923 50 0 DFAALO Cn1cc[nH+]c1-c1cccc(-c2ccn(CCn3cccn3)n2)c1 ZINC000019144210 182106220 /nfs/dbraw/zinc/10/62/20/182106220.db2.gz RIUYZTWSCUQJKZ-UHFFFAOYSA-N 1 2 318.384 2.847 50 0 DFAALO O=C(c1ccccc1F)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019347617 182118170 /nfs/dbraw/zinc/11/81/70/182118170.db2.gz UTKYWSZWPLGAFS-UHFFFAOYSA-N 1 2 316.351 2.923 50 0 DFAALO [NH2+]=c1n(CCO)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000019733032 182139263 /nfs/dbraw/zinc/13/92/63/182139263.db2.gz BDBJVOWIFIUXCB-UHFFFAOYSA-N 1 2 301.777 2.616 50 0 DFAALO COc1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)cc1 ZINC000019774086 182145855 /nfs/dbraw/zinc/14/58/55/182145855.db2.gz VYALQIVZXORRNR-UHFFFAOYSA-N 1 2 324.424 2.582 50 0 DFAALO O=C(c1cccnc1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019789355 182149394 /nfs/dbraw/zinc/14/93/94/182149394.db2.gz QWSNLHQVTGFMQG-UHFFFAOYSA-N 1 2 315.804 2.693 50 0 DFAALO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019791655 182150137 /nfs/dbraw/zinc/15/01/37/182150137.db2.gz OXWRTJZGRDSJOU-UHFFFAOYSA-N 1 2 305.809 2.650 50 0 DFAALO O=C(c1ccncc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020038282 182182872 /nfs/dbraw/zinc/18/28/72/182182872.db2.gz YBXJFNQTDPFIST-QPJJXVBHSA-N 1 2 307.397 2.553 50 0 DFAALO Cc1cc(OC(C)(C)C(=O)N2CC[NH+](C)CC2)cc(C)c1Cl ZINC000020352264 182210344 /nfs/dbraw/zinc/21/03/44/182210344.db2.gz BJHFZNVMLRPJKR-UHFFFAOYSA-N 1 2 324.852 2.888 50 0 DFAALO CCCCOc1cccc(OCCOCC[NH+]2CCOCC2)c1 ZINC000020653447 182242127 /nfs/dbraw/zinc/24/21/27/182242127.db2.gz VUXGSKVTWWKXDQ-UHFFFAOYSA-N 1 2 323.433 2.593 50 0 DFAALO CCCCNC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020582956 182235222 /nfs/dbraw/zinc/23/52/22/182235222.db2.gz KHBGDTRETRZBBK-UHFFFAOYSA-N 1 2 309.841 2.967 50 0 DFAALO COc1cccc(C(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000022027873 182304845 /nfs/dbraw/zinc/30/48/45/182304845.db2.gz ZOWKVQWQCFCJKD-UHFFFAOYSA-N 1 2 324.424 2.674 50 0 DFAALO C[NH+]1CCN(C[C@@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000022041004 182305474 /nfs/dbraw/zinc/30/54/74/182305474.db2.gz HACBNWCURIYQSS-LJQANCHMSA-N 1 2 308.425 2.901 50 0 DFAALO O=C(C[C@H]1C=CCC1)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000022767202 182334303 /nfs/dbraw/zinc/33/43/03/182334303.db2.gz HYVLUEFKRUCYCY-GJZGRUSLSA-N 1 2 320.458 2.594 50 0 DFAALO Cc1ccc([C@H](CNC(=O)c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000023105832 182347812 /nfs/dbraw/zinc/34/78/12/182347812.db2.gz KDCARWXUWQUQFD-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO Cc1c[nH]c(C[NH+]2CCC(n3cc(C4CCCC4)nn3)CC2)n1 ZINC000023541925 182363031 /nfs/dbraw/zinc/36/30/31/182363031.db2.gz BMESUPQDUBUYHD-UHFFFAOYSA-N 1 2 314.437 2.804 50 0 DFAALO c1ccc2c(c1)oc1c2ncnc1SCC[NH+]1CCOCC1 ZINC000023804856 182368690 /nfs/dbraw/zinc/36/86/90/182368690.db2.gz NTBFZJCWZZFHPI-UHFFFAOYSA-N 1 2 315.398 2.800 50 0 DFAALO Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2sccc2C1 ZINC000040034706 183028972 /nfs/dbraw/zinc/02/89/72/183028972.db2.gz CNABCZYLIJBPDV-UHFFFAOYSA-N 1 2 311.410 2.991 50 0 DFAALO COc1cc(C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F ZINC000039985777 183026320 /nfs/dbraw/zinc/02/63/20/183026320.db2.gz CBVVDJPPPDCHBA-GHMZBOCLSA-N 1 2 301.333 2.906 50 0 DFAALO C[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H]2c2cccs2)C[C@H](C)O1 ZINC000040463118 183071003 /nfs/dbraw/zinc/07/10/03/183071003.db2.gz QKMPHDPPXWUXEP-HZSPNIEDSA-N 1 2 308.447 2.521 50 0 DFAALO C[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H]2c2cccs2)C[C@H](C)O1 ZINC000040463118 183071004 /nfs/dbraw/zinc/07/10/04/183071004.db2.gz QKMPHDPPXWUXEP-HZSPNIEDSA-N 1 2 308.447 2.521 50 0 DFAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000042510731 183278578 /nfs/dbraw/zinc/27/85/78/183278578.db2.gz QQRLSNAUIFSTAY-NEPJUHHUSA-N 1 2 303.431 2.888 50 0 DFAALO COC(=O)[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2Cl)C[NH2+]1 ZINC000042783136 183309387 /nfs/dbraw/zinc/30/93/87/183309387.db2.gz JPIDVURTNFMJSY-AAEUAGOBSA-N 1 2 311.809 2.920 50 0 DFAALO C[C@@H](NC(=O)N1CCSCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000043148675 183341293 /nfs/dbraw/zinc/34/12/93/183341293.db2.gz VWLYGYCZDCOSMP-CYBMUJFWSA-N 1 2 316.430 2.692 50 0 DFAALO O=C(NCCn1cc[nH+]c1)C1c2ccccc2Oc2ccccc21 ZINC000043947520 183390853 /nfs/dbraw/zinc/39/08/53/183390853.db2.gz GZGHDZUTDHBBIE-UHFFFAOYSA-N 1 2 319.364 2.937 50 0 DFAALO CC(C)CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000045587699 183518080 /nfs/dbraw/zinc/51/80/80/183518080.db2.gz LDKMZZDFRGXQNV-CQSZACIVSA-N 1 2 304.369 2.604 50 0 DFAALO Brc1cccc(N2CC[NH+](Cc3ccon3)CC2)c1 ZINC000284754824 218164264 /nfs/dbraw/zinc/16/42/64/218164264.db2.gz LVKSERCFTBODQV-UHFFFAOYSA-N 1 2 322.206 2.759 50 0 DFAALO Cc1noc(C2CC[NH+]([C@H](C)c3nc(C(C)(C)C)no3)CC2)n1 ZINC000054677875 183948830 /nfs/dbraw/zinc/94/88/30/183948830.db2.gz IJMWJYDCCATWCL-SNVBAGLBSA-N 1 2 319.409 2.999 50 0 DFAALO Cc1cc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)no1 ZINC000058015586 184067526 /nfs/dbraw/zinc/06/75/26/184067526.db2.gz JKTZMFDPRJYNSP-UHFFFAOYSA-N 1 2 311.345 2.765 50 0 DFAALO O=C(c1ccco1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058224907 184090365 /nfs/dbraw/zinc/09/03/65/184090365.db2.gz MIEMUQRVTKYVDK-UHFFFAOYSA-N 1 2 302.349 2.767 50 0 DFAALO O=C(c1ccco1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058224907 184090368 /nfs/dbraw/zinc/09/03/68/184090368.db2.gz MIEMUQRVTKYVDK-UHFFFAOYSA-N 1 2 302.349 2.767 50 0 DFAALO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1 ZINC000058144981 184080757 /nfs/dbraw/zinc/08/07/57/184080757.db2.gz NPOSZKYULIUYFO-GFCCVEGCSA-N 1 2 310.332 2.897 50 0 DFAALO CC(C)(C)c1noc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)n1 ZINC000058345057 184107991 /nfs/dbraw/zinc/10/79/91/184107991.db2.gz PCGDBYBBCLFWIB-OKILXGFUSA-N 1 2 323.437 2.527 50 0 DFAALO CC(C)(C)c1noc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCCO2)n1 ZINC000058345057 184107992 /nfs/dbraw/zinc/10/79/92/184107992.db2.gz PCGDBYBBCLFWIB-OKILXGFUSA-N 1 2 323.437 2.527 50 0 DFAALO C[C@H](NC(=O)Cn1c2ccccc2[nH+]c1C1CC1)[C@@H]1CCCO1 ZINC000058268343 184097741 /nfs/dbraw/zinc/09/77/41/184097741.db2.gz HGBJVOMHFISYCP-LRDDRELGSA-N 1 2 313.401 2.597 50 0 DFAALO Cn1cccc1[C@@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000058268710 184098037 /nfs/dbraw/zinc/09/80/37/184098037.db2.gz JVIHAAXOYIQLKJ-INIZCTEOSA-N 1 2 323.400 2.720 50 0 DFAALO C[N@H+](CC(=O)Nc1nnc(C(F)F)s1)Cc1ccccc1 ZINC000058309974 184103762 /nfs/dbraw/zinc/10/37/62/184103762.db2.gz GZOXHIIMFBQUML-UHFFFAOYSA-N 1 2 312.345 2.546 50 0 DFAALO C[N@@H+](CC(=O)Nc1nnc(C(F)F)s1)Cc1ccccc1 ZINC000058309974 184103763 /nfs/dbraw/zinc/10/37/63/184103763.db2.gz GZOXHIIMFBQUML-UHFFFAOYSA-N 1 2 312.345 2.546 50 0 DFAALO COc1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1F ZINC000060847301 184156488 /nfs/dbraw/zinc/15/64/88/184156488.db2.gz PABCEQDYDXBLRY-UHFFFAOYSA-N 1 2 307.394 2.613 50 0 DFAALO Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000061511933 184171895 /nfs/dbraw/zinc/17/18/95/184171895.db2.gz IHDQWRMATZACLC-UHFFFAOYSA-N 1 2 315.417 2.889 50 0 DFAALO Cc1ccc(NC(=O)Cn2c[nH+]c3cc4c(cc32)OCCO4)cc1 ZINC000064794788 184303537 /nfs/dbraw/zinc/30/35/37/184303537.db2.gz HPQZWOMKKBEYBZ-UHFFFAOYSA-N 1 2 323.352 2.755 50 0 DFAALO C[C@@H](c1c(F)cccc1F)N(C)c1[nH+]cnc2c1cnn2C ZINC000065436845 184345109 /nfs/dbraw/zinc/34/51/09/184345109.db2.gz SYPOIRKLGGGTAO-VIFPVBQESA-N 1 2 303.316 2.839 50 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Cc1noc(C)c1C[N@H+](C)Cc1cnc(-c2ccccn2)nc1 ZINC000216008810 542874835 /nfs/dbraw/zinc/87/48/35/542874835.db2.gz CFPQHEJXDHBRBV-UHFFFAOYSA-N 1 2 309.373 2.775 50 0 DFAALO CN(Cc1cccc2ncccc12)C(=O)C1(Cn2cc[nH+]c2)CC1 ZINC000220094984 542879742 /nfs/dbraw/zinc/87/97/42/542879742.db2.gz BOIJRRKSDHUNSR-UHFFFAOYSA-N 1 2 320.396 2.870 50 0 DFAALO O=C(c1ccc2[nH+]ccn2c1)N1CCCC[C@H]1CCn1cccn1 ZINC000222947489 542885453 /nfs/dbraw/zinc/88/54/53/542885453.db2.gz CKBLSIHWTXFQQI-INIZCTEOSA-N 1 2 323.400 2.616 50 0 DFAALO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000223484356 542886554 /nfs/dbraw/zinc/88/65/54/542886554.db2.gz YMGMFQFEUOBPCQ-CQSZACIVSA-N 1 2 303.793 2.943 50 0 DFAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000575605859 543452510 /nfs/dbraw/zinc/45/25/10/543452510.db2.gz HSNTVNCLEIMFAW-OAHLLOKOSA-N 1 2 313.401 2.545 50 0 DFAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N(C)Cc1ccco1 ZINC000053150907 425886827 /nfs/dbraw/zinc/88/68/27/425886827.db2.gz SDQJKPYNGPNYDD-LBPRGKRZSA-N 1 2 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C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000049651632 425880156 /nfs/dbraw/zinc/88/01/56/425880156.db2.gz VIOGVXFKZBMFBL-GFCCVEGCSA-N 1 2 318.808 2.582 50 0 DFAALO C[C@@H]1C[C@@H](C)CN(C(=O)CSc2[nH+]cc3ccccn32)C1 ZINC000049783026 425880437 /nfs/dbraw/zinc/88/04/37/425880437.db2.gz VXLRWDUJLBUXRO-CHWSQXEVSA-N 1 2 303.431 2.931 50 0 DFAALO COc1c(C)c[nH+]c(CNC(=O)c2cc(F)ccc2F)c1C ZINC000050448980 425881742 /nfs/dbraw/zinc/88/17/42/425881742.db2.gz UPYGLOFAAIOZPF-UHFFFAOYSA-N 1 2 306.312 2.915 50 0 DFAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)cn1 ZINC000071799333 425989480 /nfs/dbraw/zinc/98/94/80/425989480.db2.gz HAWBUELDKVJBRM-ZDUSSCGKSA-N 1 2 315.402 2.869 50 0 DFAALO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)cn1 ZINC000071799333 425989484 /nfs/dbraw/zinc/98/94/84/425989484.db2.gz HAWBUELDKVJBRM-ZDUSSCGKSA-N 1 2 315.402 2.869 50 0 DFAALO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nnc(Cc3ccccc3)o2)cn1 ZINC000071799199 425989996 /nfs/dbraw/zinc/98/99/96/425989996.db2.gz 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O=C(COc1ccccc1Cl)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917669 425962482 /nfs/dbraw/zinc/96/24/82/425962482.db2.gz IQZQJJOPKPYXCH-ZDUSSCGKSA-N 1 2 319.792 2.779 50 0 DFAALO CCc1nc(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)cs1 ZINC000070006317 425965617 /nfs/dbraw/zinc/96/56/17/425965617.db2.gz VUCAJPGSDXEYIP-UHFFFAOYSA-N 1 2 307.463 2.540 50 0 DFAALO CCc1nc(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)cs1 ZINC000070006317 425965621 /nfs/dbraw/zinc/96/56/21/425965621.db2.gz VUCAJPGSDXEYIP-UHFFFAOYSA-N 1 2 307.463 2.540 50 0 DFAALO COc1ccc(NC(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)cc1 ZINC000072270816 426012321 /nfs/dbraw/zinc/01/23/21/426012321.db2.gz RTGSTIDKYXYQKJ-LSDHHAIUSA-N 1 2 300.362 2.807 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C2 ZINC000072295325 426013701 /nfs/dbraw/zinc/01/37/01/426013701.db2.gz JLXRZXBFMPTMME-ARFHVFGLSA-N 1 2 301.434 2.839 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)Cc1cccs1)C2 ZINC000072295317 426014081 /nfs/dbraw/zinc/01/40/81/426014081.db2.gz 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/nfs/dbraw/zinc/12/67/81/426126781.db2.gz POFCZYXDADTASW-SFHVURJKSA-N 1 2 318.465 2.660 50 0 DFAALO CC(C)n1cnnc1CN(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000077385369 426130681 /nfs/dbraw/zinc/13/06/81/426130681.db2.gz XRAUCCNJFGPBPL-UHFFFAOYSA-N 1 2 310.405 2.677 50 0 DFAALO O=C(c1ccc(Cl)cc1O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077407069 426132032 /nfs/dbraw/zinc/13/20/32/426132032.db2.gz DOJLDOAMRMRATB-SNVBAGLBSA-N 1 2 305.765 2.789 50 0 DFAALO CC[C@H]1c2cccn2CCN1C(=O)Cc1c[nH+]c2ccccn12 ZINC000077486223 426135407 /nfs/dbraw/zinc/13/54/07/426135407.db2.gz WEFYCSJUFWAKAQ-HNNXBMFYSA-N 1 2 308.385 2.672 50 0 DFAALO Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C ZINC000075572813 426076641 /nfs/dbraw/zinc/07/66/41/426076641.db2.gz GQMRLZWUTKMTDT-QGZVFWFLSA-N 1 2 303.450 2.514 50 0 DFAALO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc(=O)c(O)co2)[C@H](C)CO1 ZINC000075785135 426084017 /nfs/dbraw/zinc/08/40/17/426084017.db2.gz CYTOSOWBTWJUGZ-ACJLOTCBSA-N 1 2 315.369 2.616 50 0 DFAALO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc(=O)c(O)co2)[C@H](C)CO1 ZINC000075785135 426084020 /nfs/dbraw/zinc/08/40/20/426084020.db2.gz CYTOSOWBTWJUGZ-ACJLOTCBSA-N 1 2 315.369 2.616 50 0 DFAALO CCc1cc(N[C@H](CO)C(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000170593660 426139334 /nfs/dbraw/zinc/13/93/34/426139334.db2.gz AKPADVWSOIMIOX-CQSZACIVSA-N 1 2 300.406 2.920 50 0 DFAALO CSCC[C@@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000077666337 426144170 /nfs/dbraw/zinc/14/41/70/426144170.db2.gz UGLLBKHYNKYOTI-CYBMUJFWSA-N 1 2 318.446 2.813 50 0 DFAALO O=C(C[C@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000115203111 426157828 /nfs/dbraw/zinc/15/78/28/426157828.db2.gz ISQRLIABFSINPG-QGZVFWFLSA-N 1 2 321.424 2.850 50 0 DFAALO O=C(CCn1ccc2cc(Cl)ccc21)NCc1[nH]cc[nH+]1 ZINC000089807746 426310591 /nfs/dbraw/zinc/31/05/91/426310591.db2.gz GMBIXAOLKWVXNY-UHFFFAOYSA-N 1 2 302.765 2.724 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N1CC2(CCCC2)c2ccccc21 ZINC000089857854 426313297 /nfs/dbraw/zinc/31/32/97/426313297.db2.gz YBIVWOZRCBCCLF-UHFFFAOYSA-N 1 2 310.401 2.925 50 0 DFAALO O=C(NCCc1cn2ccccc2[nH+]1)NCC(C1CC1)C1CC1 ZINC000089878887 426315105 /nfs/dbraw/zinc/31/51/05/426315105.db2.gz RZEJEIAXTVNCBH-UHFFFAOYSA-N 1 2 312.417 2.612 50 0 DFAALO O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1CCc2[nH]c[nH+]c2C1 ZINC000096152995 426401539 /nfs/dbraw/zinc/40/15/39/426401539.db2.gz JNSYOXDXTLWZGT-AWEZNQCLSA-N 1 2 320.396 2.896 50 0 DFAALO O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1CCc2[nH+]c[nH]c2C1 ZINC000096152995 426401542 /nfs/dbraw/zinc/40/15/42/426401542.db2.gz JNSYOXDXTLWZGT-AWEZNQCLSA-N 1 2 320.396 2.896 50 0 DFAALO O=C1[C@@H]([N@@H+]2CCCc3sccc3C2)CCN1CC(F)(F)F ZINC000095395065 426372813 /nfs/dbraw/zinc/37/28/13/426372813.db2.gz FSAUSVURMNUMGU-NSHDSACASA-N 1 2 318.364 2.660 50 0 DFAALO O=C1[C@@H]([N@H+]2CCCc3sccc3C2)CCN1CC(F)(F)F ZINC000095395065 426372814 /nfs/dbraw/zinc/37/28/14/426372814.db2.gz FSAUSVURMNUMGU-NSHDSACASA-N 1 2 318.364 2.660 50 0 DFAALO Cc1cc([C@H]2CCCN2C(=O)c2ccnc(-n3cc[nH+]c3)c2)no1 ZINC000095954194 426377330 /nfs/dbraw/zinc/37/73/30/426377330.db2.gz MVQYPRKTLDHOCI-OAHLLOKOSA-N 1 2 323.356 2.541 50 0 DFAALO CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCSCC2)cc1C ZINC000095979701 426381092 /nfs/dbraw/zinc/38/10/92/426381092.db2.gz GYSYAUQRZOYPRB-GFCCVEGCSA-N 1 2 306.431 2.573 50 0 DFAALO O=C(Nc1nc(C(F)(F)F)cs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000095977962 426381499 /nfs/dbraw/zinc/38/14/99/426381499.db2.gz OWWOTSBGIRLNFI-SSDOTTSWSA-N 1 2 316.308 2.560 50 0 DFAALO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccn2cc[nH+]c2c1 ZINC000095976896 426381627 /nfs/dbraw/zinc/38/16/27/426381627.db2.gz MVYNAKOBMFRDDO-ZDUSSCGKSA-N 1 2 309.369 2.743 50 0 DFAALO Cn1nncc1C[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000095982486 426383206 /nfs/dbraw/zinc/38/32/06/426383206.db2.gz IRAIBLFZQJOOKM-UHFFFAOYSA-N 1 2 321.222 2.742 50 0 DFAALO Cn1nncc1C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000095982486 426383209 /nfs/dbraw/zinc/38/32/09/426383209.db2.gz IRAIBLFZQJOOKM-UHFFFAOYSA-N 1 2 321.222 2.742 50 0 DFAALO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3cc(C)on3)ccc2NC1=O ZINC000095985477 426384082 /nfs/dbraw/zinc/38/40/82/426384082.db2.gz VXJKAHRAAGMOLH-XHDPSFHLSA-N 1 2 315.373 2.943 50 0 DFAALO CC(C)c1cc(N[C@@H]2CCCN(C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000096011324 426388019 /nfs/dbraw/zinc/38/80/19/426388019.db2.gz YJZOBBGIMTZRHX-GFCCVEGCSA-N 1 2 305.426 2.678 50 0 DFAALO C[NH+](C)[C@H](CNC(=O)CCc1ccco1)c1c(F)cccc1F ZINC000096406374 426415395 /nfs/dbraw/zinc/41/53/95/426415395.db2.gz HXVFDBFQYGDFSF-OAHLLOKOSA-N 1 2 322.355 2.910 50 0 DFAALO C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H](C)O1 ZINC000096413401 426416878 /nfs/dbraw/zinc/41/68/78/426416878.db2.gz LXNMEBBGDFPQMD-STQMWFEESA-N 1 2 314.389 2.728 50 0 DFAALO Cc1cc(NC(=O)c2cc(N3CCCC3=O)ccc2F)cc[nH+]1 ZINC000096423707 426421069 /nfs/dbraw/zinc/42/10/69/426421069.db2.gz RBXYPSWZGXDZLU-UHFFFAOYSA-N 1 2 313.332 2.908 50 0 DFAALO C[C@H](CCc1cccn1C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096425722 426422126 /nfs/dbraw/zinc/42/21/26/426422126.db2.gz 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/nfs/dbraw/zinc/01/45/18/426014518.db2.gz JLXRZXBFMPTMME-XHSDSOJGSA-N 1 2 301.434 2.839 50 0 DFAALO Cc1cccc(SC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000077407733 426131747 /nfs/dbraw/zinc/13/17/47/426131747.db2.gz IHGBMXPOBHPYIF-UHFFFAOYSA-N 1 2 315.442 2.975 50 0 DFAALO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2csnn2)CC1 ZINC000130201991 426150332 /nfs/dbraw/zinc/15/03/32/426150332.db2.gz JPWZSOHDSMFGNS-UHFFFAOYSA-N 1 2 320.393 2.528 50 0 DFAALO COc1[nH+]ccc(N(C)C)c1NC(=O)[C@@H](C)c1ccsc1 ZINC000078077930 426157784 /nfs/dbraw/zinc/15/77/84/426157784.db2.gz NQCRGLSDKXBWSB-JTQLQIEISA-N 1 2 305.403 2.960 50 0 DFAALO CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000171376326 426187048 /nfs/dbraw/zinc/18/70/48/426187048.db2.gz QUFOLAATQSMUPH-AWEZNQCLSA-N 1 2 301.839 2.912 50 0 DFAALO CS(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000171376326 426187051 /nfs/dbraw/zinc/18/70/51/426187051.db2.gz QUFOLAATQSMUPH-AWEZNQCLSA-N 1 2 301.839 2.912 50 0 DFAALO Fc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1F ZINC000095977232 426381279 /nfs/dbraw/zinc/38/12/79/426381279.db2.gz KFJZECMFMULTKL-UHFFFAOYSA-N 1 2 303.356 2.678 50 0 DFAALO C[C@@H](c1ccccc1Cl)[NH+]1CCN(Cc2cc[nH]n2)CC1 ZINC000095982550 426382489 /nfs/dbraw/zinc/38/24/89/426382489.db2.gz QWMQNSNCOMZUBQ-ZDUSSCGKSA-N 1 2 304.825 2.942 50 0 DFAALO CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)no1 ZINC000095986065 426384171 /nfs/dbraw/zinc/38/41/71/426384171.db2.gz IIKVHNDCKCDLEK-LBPRGKRZSA-N 1 2 312.377 2.625 50 0 DFAALO CC(C)c1nc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)cc[nH+]1 ZINC000095994785 426385383 /nfs/dbraw/zinc/38/53/83/426385383.db2.gz JCSSLJRINPRLED-AWEZNQCLSA-N 1 2 313.405 2.575 50 0 DFAALO COc1ccc(-c2[nH+]c(C)nc(N3CCSCC3)c2N)cc1 ZINC000096282060 426412213 /nfs/dbraw/zinc/41/22/13/426412213.db2.gz ZBQMWJBUXBALDR-UHFFFAOYSA-N 1 2 316.430 2.596 50 0 DFAALO O=C(/C=C\c1ccco1)NCc1ccc[nH+]c1N1CCCCC1 ZINC000096311195 426414348 /nfs/dbraw/zinc/41/43/48/426414348.db2.gz MJZSRZMBIAHERG-HJWRWDBZSA-N 1 2 311.385 2.995 50 0 DFAALO CCc1ccc([C@H]2COCC[N@@H+]2CCCc2cnn(C)c2)o1 ZINC000096413003 426416651 /nfs/dbraw/zinc/41/66/51/426416651.db2.gz GBRLWLVAIHIEDV-MRXNPFEDSA-N 1 2 303.406 2.582 50 0 DFAALO CCc1ccc([C@H]2COCC[N@H+]2CCCc2cnn(C)c2)o1 ZINC000096413003 426416653 /nfs/dbraw/zinc/41/66/53/426416653.db2.gz GBRLWLVAIHIEDV-MRXNPFEDSA-N 1 2 303.406 2.582 50 0 DFAALO CCOC(=O)CCc1ccc(NC(=O)[C@H](C)n2cc[nH+]c2)cc1 ZINC000096417091 426418794 /nfs/dbraw/zinc/41/87/94/426418794.db2.gz RCOHQZMRTOYBJK-ZDUSSCGKSA-N 1 2 315.373 2.579 50 0 DFAALO CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)Nc2cc(C)on2)s1 ZINC000096424513 426420967 /nfs/dbraw/zinc/42/09/67/426420967.db2.gz POLGLRPABRMYKH-NSHDSACASA-N 1 2 322.434 2.942 50 0 DFAALO CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cc(C)on2)s1 ZINC000096424513 426420969 /nfs/dbraw/zinc/42/09/69/426420969.db2.gz POLGLRPABRMYKH-NSHDSACASA-N 1 2 322.434 2.942 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000096439073 426425306 /nfs/dbraw/zinc/42/53/06/426425306.db2.gz 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426444752 /nfs/dbraw/zinc/44/47/52/426444752.db2.gz WBSCCTYFVLILCZ-UHFFFAOYSA-N 1 2 307.353 2.567 50 0 DFAALO Cc1cccc(OC2CC[NH+](Cc3nnc(C4CC4)o3)CC2)n1 ZINC000097082885 426446578 /nfs/dbraw/zinc/44/65/78/426446578.db2.gz YDPDVRYFPALJBC-UHFFFAOYSA-N 1 2 314.389 2.694 50 0 DFAALO C[C@@H](NCc1noc(C2CC2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097083982 426446839 /nfs/dbraw/zinc/44/68/39/426446839.db2.gz HFHIKDPKPXNLCH-GFCCVEGCSA-N 1 2 309.373 2.984 50 0 DFAALO Clc1cc(NCc2[nH]cc[nH+]2)ccc1CN1CCOCC1 ZINC000097106924 426449203 /nfs/dbraw/zinc/44/92/03/426449203.db2.gz VXPVKUDOHFUMJP-UHFFFAOYSA-N 1 2 306.797 2.507 50 0 DFAALO O=C(N[C@H]1CCc2[nH+]ccn2C1)c1cc2c(cccc2F)s1 ZINC000097197821 426457981 /nfs/dbraw/zinc/45/79/81/426457981.db2.gz BNDXZEYINFWYRL-JTQLQIEISA-N 1 2 315.373 2.982 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCc1ccc(Cl)s1)C2 ZINC000097199182 426458152 /nfs/dbraw/zinc/45/81/52/426458152.db2.gz LPLJTQYSYPSYDX-LLVKDONJSA-N 1 2 323.849 2.970 50 0 DFAALO C[N@H+](Cc1ncc(-c2ccccc2)o1)C1CCS(=O)CC1 ZINC000097212742 426458754 /nfs/dbraw/zinc/45/87/54/426458754.db2.gz FIKFATJMCWNQIM-UHFFFAOYSA-N 1 2 304.415 2.685 50 0 DFAALO C[N@@H+](Cc1ncc(-c2ccccc2)o1)C1CCS(=O)CC1 ZINC000097212742 426458758 /nfs/dbraw/zinc/45/87/58/426458758.db2.gz FIKFATJMCWNQIM-UHFFFAOYSA-N 1 2 304.415 2.685 50 0 DFAALO c1n[nH]cc1C1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000097203469 426458954 /nfs/dbraw/zinc/45/89/54/426458954.db2.gz YKTBWSPASYLSFX-UHFFFAOYSA-N 1 2 323.400 2.763 50 0 DFAALO c1cn2c([nH+]1)CN(Cc1nn(-c3ccccc3)c3c1CCC3)CC2 ZINC000097201251 426459246 /nfs/dbraw/zinc/45/92/46/426459246.db2.gz YOSOFKNUKZWPRA-UHFFFAOYSA-N 1 2 319.412 2.573 50 0 DFAALO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000097570877 426468497 /nfs/dbraw/zinc/46/84/97/426468497.db2.gz QSTVWHKUUKPSAW-ZDUSSCGKSA-N 1 2 301.839 2.597 50 0 DFAALO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000097570877 426468500 /nfs/dbraw/zinc/46/85/00/426468500.db2.gz QSTVWHKUUKPSAW-ZDUSSCGKSA-N 1 2 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Cc1nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)s1 ZINC000179041945 426740767 /nfs/dbraw/zinc/74/07/67/426740767.db2.gz MQCJULLORZJSEZ-HNNXBMFYSA-N 1 2 315.442 2.889 50 0 DFAALO Cc1nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)s1 ZINC000179041945 426740769 /nfs/dbraw/zinc/74/07/69/426740769.db2.gz MQCJULLORZJSEZ-HNNXBMFYSA-N 1 2 315.442 2.889 50 0 DFAALO Cc1nc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)s1 ZINC000179041932 426741987 /nfs/dbraw/zinc/74/19/87/426741987.db2.gz MQCJULLORZJSEZ-OAHLLOKOSA-N 1 2 315.442 2.889 50 0 DFAALO Cc1nc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)s1 ZINC000179041932 426741990 /nfs/dbraw/zinc/74/19/90/426741990.db2.gz MQCJULLORZJSEZ-OAHLLOKOSA-N 1 2 315.442 2.889 50 0 DFAALO CCC1=C(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CCCO1 ZINC000189494243 426868166 /nfs/dbraw/zinc/86/81/66/426868166.db2.gz LTQDLLPCMQAMON-CQSZACIVSA-N 1 2 317.433 2.676 50 0 DFAALO c1nc2cnccn2c1CN1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275627681 426882882 /nfs/dbraw/zinc/88/28/82/426882882.db2.gz 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C[C@@H](c1cnccn1)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000248606437 427019269 /nfs/dbraw/zinc/01/92/69/427019269.db2.gz FVMVHYAYLFQWKQ-YOEHRIQHSA-N 1 2 310.401 2.665 50 0 DFAALO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2nnnn2C2CC2)o1 ZINC000248840284 427050630 /nfs/dbraw/zinc/05/06/30/427050630.db2.gz LGSNKDMHWXCRFZ-FZMZJTMJSA-N 1 2 317.393 2.646 50 0 DFAALO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2nnnn2C2CC2)o1 ZINC000248840284 427050636 /nfs/dbraw/zinc/05/06/36/427050636.db2.gz LGSNKDMHWXCRFZ-FZMZJTMJSA-N 1 2 317.393 2.646 50 0 DFAALO Cc1cc(NC(=O)C2CCC(O)CC2)c[nH+]c1N1CCCCC1 ZINC000252505979 427183521 /nfs/dbraw/zinc/18/35/21/427183521.db2.gz VULHWVVQBYPFAK-UHFFFAOYSA-N 1 2 317.433 2.870 50 0 DFAALO COCCNc1[nH+]c2ccccc2n1C[C@@H](O)c1ccccc1 ZINC000252507991 427183592 /nfs/dbraw/zinc/18/35/92/427183592.db2.gz WZJAIQCNDZDIHC-QGZVFWFLSA-N 1 2 311.385 2.828 50 0 DFAALO COc1cccc2c(N3CCO[C@@H]([C@H]4CCCO4)C3)cc[nH+]c12 ZINC000252587431 427187644 /nfs/dbraw/zinc/18/76/44/427187644.db2.gz YGXPAWIWSNVOCJ-NVXWUHKLSA-N 1 2 314.385 2.628 50 0 DFAALO Cc1cc([C@H]2C[N@H+](Cc3ccnc(N)c3)CCO2)ccc1F ZINC000191603585 427387549 /nfs/dbraw/zinc/38/75/49/427387549.db2.gz HBJNJTRJGSILGW-MRXNPFEDSA-N 1 2 301.365 2.685 50 0 DFAALO Cc1cc([C@H]2C[N@@H+](Cc3ccnc(N)c3)CCO2)ccc1F ZINC000191603585 427387555 /nfs/dbraw/zinc/38/75/55/427387555.db2.gz HBJNJTRJGSILGW-MRXNPFEDSA-N 1 2 301.365 2.685 50 0 DFAALO CCC[C@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1[nH+]ccn1C ZINC000299792996 427770073 /nfs/dbraw/zinc/77/00/73/427770073.db2.gz HLFVBFVPWFHWLB-LBPRGKRZSA-N 1 2 323.828 2.544 50 0 DFAALO Cc1nnc(C[NH+]2CCC(c3nc(C(C)C)no3)CC2)s1 ZINC000299786890 427770235 /nfs/dbraw/zinc/77/02/35/427770235.db2.gz RIKHTABOEGALPE-UHFFFAOYSA-N 1 2 307.423 2.733 50 0 DFAALO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@H+](Cc2cn3ccccc3n2)C1 ZINC000339779729 427828136 /nfs/dbraw/zinc/82/81/36/427828136.db2.gz UOACHDFLDZGHLX-IRXDYDNUSA-N 1 2 311.360 2.781 50 0 DFAALO O[C@H]1C[C@@H](c2ccc(F)cc2)[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000339779729 427828138 /nfs/dbraw/zinc/82/81/38/427828138.db2.gz UOACHDFLDZGHLX-IRXDYDNUSA-N 1 2 311.360 2.781 50 0 DFAALO O[C@H](c1[nH]cc[nH+]1)C1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000302749672 427865036 /nfs/dbraw/zinc/86/50/36/427865036.db2.gz GOXLWJAKHLOZLA-AWEZNQCLSA-N 1 2 316.336 2.640 50 0 DFAALO O[C@@H](c1[nH]cc[nH+]1)C1CCN(c2nc3cc(F)ccc3o2)CC1 ZINC000302749674 427865360 /nfs/dbraw/zinc/86/53/60/427865360.db2.gz GOXLWJAKHLOZLA-CQSZACIVSA-N 1 2 316.336 2.640 50 0 DFAALO O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C1=CCCC1 ZINC000355854807 427921471 /nfs/dbraw/zinc/92/14/71/427921471.db2.gz QKKUKQHEFRJRJH-KBPBESRZSA-N 1 2 308.422 2.887 50 0 DFAALO O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C1=CCCC1 ZINC000355854807 427921474 /nfs/dbraw/zinc/92/14/74/427921474.db2.gz QKKUKQHEFRJRJH-KBPBESRZSA-N 1 2 308.422 2.887 50 0 DFAALO CCc1nc(C)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000345294877 428833260 /nfs/dbraw/zinc/83/32/60/428833260.db2.gz COOKCYPSWNCDON-UHFFFAOYSA-N 1 2 310.357 2.661 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1cc(-c3ccccc3)on1)C2 ZINC000097198715 274823518 /nfs/dbraw/zinc/82/35/18/274823518.db2.gz HPOVXEWNNBWTFW-AWEZNQCLSA-N 1 2 322.368 2.591 50 0 DFAALO Cc1nc(NCCCc2ccc(F)cc2)cc([C@H]2CCOC2)[nH+]1 ZINC000426612284 429404983 /nfs/dbraw/zinc/40/49/83/429404983.db2.gz GCWRTANLBDQMBZ-HNNXBMFYSA-N 1 2 315.392 3.473 50 0 DFAALO CC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000048274577 275941464 /nfs/dbraw/zinc/94/14/64/275941464.db2.gz ICNXDFLMTDKEES-UHFFFAOYSA-N 1 2 323.400 2.753 50 0 DFAALO C[N@@H+]1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1 ZINC000020565939 277187266 /nfs/dbraw/zinc/18/72/66/277187266.db2.gz KAUAILCIFRMMSB-UHFFFAOYSA-N 1 2 321.409 2.994 50 0 DFAALO C[N@H+]1CCc2c(sc3ncn4nc(-c5ccccc5)nc4c23)C1 ZINC000020565939 277187268 /nfs/dbraw/zinc/18/72/68/277187268.db2.gz KAUAILCIFRMMSB-UHFFFAOYSA-N 1 2 321.409 2.994 50 0 DFAALO CC1(C)C[C@@]1(C(=O)N1CCn2c[nH+]cc2C1)c1cccs1 ZINC000072128269 278374738 /nfs/dbraw/zinc/37/47/38/278374738.db2.gz KJEAYVWSWOMBBF-INIZCTEOSA-N 1 2 301.415 2.655 50 0 DFAALO C[NH+](C)[C@H](C(=O)N1CCC(F)(F)CC1)c1ccccc1F ZINC000091304355 289343925 /nfs/dbraw/zinc/34/39/25/289343925.db2.gz WRCYMSRYPMUKMI-ZDUSSCGKSA-N 1 2 300.324 2.686 50 0 DFAALO Cc1nc2c3cc4c(nc3sc2c(NN)[nH+]1)CC(C)(C)OC4 ZINC000000547718 293441460 /nfs/dbraw/zinc/44/14/60/293441460.db2.gz FKSWMHQJMFRPDW-UHFFFAOYSA-N 1 2 315.402 2.685 50 0 DFAALO NC(=O)C[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000047274312 303250337 /nfs/dbraw/zinc/25/03/37/303250337.db2.gz YHKVJGPSBKDGHC-UHFFFAOYSA-N 1 2 317.364 2.711 50 0 DFAALO NC(=O)C[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000047274312 303250339 /nfs/dbraw/zinc/25/03/39/303250339.db2.gz YHKVJGPSBKDGHC-UHFFFAOYSA-N 1 2 317.364 2.711 50 0 DFAALO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cs1 ZINC000097374513 323209608 /nfs/dbraw/zinc/20/96/08/323209608.db2.gz IVNMKCNYMCRJNH-NSHDSACASA-N 1 2 314.414 2.564 50 0 DFAALO Cc1ccc(-c2nc(C[N@@H+]3CCCNC(=O)[C@@H]3C)cs2)cc1 ZINC000189105244 323222033 /nfs/dbraw/zinc/22/20/33/323222033.db2.gz ZJPKWUIPUAAVMP-ZDUSSCGKSA-N 1 2 315.442 2.829 50 0 DFAALO Cc1ccc(-c2nc(C[N@H+]3CCCNC(=O)[C@@H]3C)cs2)cc1 ZINC000189105244 323222035 /nfs/dbraw/zinc/22/20/35/323222035.db2.gz ZJPKWUIPUAAVMP-ZDUSSCGKSA-N 1 2 315.442 2.829 50 0 DFAALO CCc1ccccc1NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000013325081 331541270 /nfs/dbraw/zinc/54/12/70/331541270.db2.gz HIWKTVIVLMRFEB-UHFFFAOYSA-N 1 2 324.428 2.994 50 0 DFAALO COCc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)C)cc1 ZINC000534582828 334289832 /nfs/dbraw/zinc/28/98/32/334289832.db2.gz BHAONSLXBMRMGN-HNNXBMFYSA-N 1 2 301.390 2.694 50 0 DFAALO CCc1ccc(CCNC(=O)N(C)Cc2[nH]cc(C)[nH+]2)cc1 ZINC000534655042 334313461 /nfs/dbraw/zinc/31/34/61/334313461.db2.gz AZWIRZGHYINBSI-UHFFFAOYSA-N 1 2 300.406 2.665 50 0 DFAALO O=C(NCC1(Cn2cc[nH+]c2)CC1)c1ccccc1OC(F)F ZINC000534655207 334313775 /nfs/dbraw/zinc/31/37/75/334313775.db2.gz ALPCGAIPDWLWMG-UHFFFAOYSA-N 1 2 321.327 2.695 50 0 DFAALO CCC[C@H](NC(=O)Cc1sc(C)nc1C)c1[nH+]ccn1C ZINC000534649328 334317046 /nfs/dbraw/zinc/31/70/46/334317046.db2.gz JQRYLZOSRQIRFD-LBPRGKRZSA-N 1 2 306.435 2.694 50 0 DFAALO C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245686734 536457828 /nfs/dbraw/zinc/45/78/28/536457828.db2.gz NTMIPLQKXNVBNM-GDBMZVCRSA-N 1 2 317.339 2.535 50 0 DFAALO C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H]1c1ccc(F)c(F)c1 ZINC000245686734 536457831 /nfs/dbraw/zinc/45/78/31/536457831.db2.gz NTMIPLQKXNVBNM-GDBMZVCRSA-N 1 2 317.339 2.535 50 0 DFAALO Cc1[nH]ncc1C[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940987 546412173 /nfs/dbraw/zinc/41/21/73/546412173.db2.gz NCALFAXJRMGZPP-YOEHRIQHSA-N 1 2 313.405 2.532 50 0 DFAALO Cc1[nH]ncc1C[N@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940987 546412175 /nfs/dbraw/zinc/41/21/75/546412175.db2.gz NCALFAXJRMGZPP-YOEHRIQHSA-N 1 2 313.405 2.532 50 0 DFAALO Cc1ccc2[nH+]c(CNC(=O)[C@H]3COc4ccccc4C3)cn2c1 ZINC000095511364 185376082 /nfs/dbraw/zinc/37/60/82/185376082.db2.gz GPKBZLJISYEYSR-OAHLLOKOSA-N 1 2 321.380 2.510 50 0 DFAALO Cc1cn2cc(C(=O)NC[C@H]3CCc4ccccc4O3)ccc2[nH+]1 ZINC000082157614 185174102 /nfs/dbraw/zinc/17/41/02/185174102.db2.gz ILIFEQYIAJZKJQ-MRXNPFEDSA-N 1 2 321.380 2.766 50 0 DFAALO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC000328586325 231230734 /nfs/dbraw/zinc/23/07/34/231230734.db2.gz ZAUBTCIXXACLRT-STQMWFEESA-N 1 2 311.376 2.952 50 0 DFAALO O=C(Nc1cnn(CC2CC2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088391829 185248204 /nfs/dbraw/zinc/24/82/04/185248204.db2.gz CPWJPLLNVVMFCZ-CQSZACIVSA-N 1 2 314.393 2.775 50 0 DFAALO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000090001923 185276228 /nfs/dbraw/zinc/27/62/28/185276228.db2.gz GZIJBJXLVRVSRF-DZGCQCFKSA-N 1 2 319.792 2.812 50 0 DFAALO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)on1 ZINC000090001923 185276229 /nfs/dbraw/zinc/27/62/29/185276229.db2.gz GZIJBJXLVRVSRF-DZGCQCFKSA-N 1 2 319.792 2.812 50 0 DFAALO Cc1ccc(-c2cc(C[N@@H+]3CCNC(=O)[C@@H]3C(C)C)on2)cc1 ZINC000066500483 398381445 /nfs/dbraw/zinc/38/14/45/398381445.db2.gz QYJDFIRTNGSQEF-KRWDZBQOSA-N 1 2 313.401 2.606 50 0 DFAALO Cc1ccc(-c2cc(C[N@H+]3CCNC(=O)[C@@H]3C(C)C)on2)cc1 ZINC000066500483 398381446 /nfs/dbraw/zinc/38/14/46/398381446.db2.gz QYJDFIRTNGSQEF-KRWDZBQOSA-N 1 2 313.401 2.606 50 0 DFAALO O=C(CCc1ccccn1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000082114445 192357820 /nfs/dbraw/zinc/35/78/20/192357820.db2.gz CZLMOVFUVLASMO-QGZVFWFLSA-N 1 2 312.417 2.682 50 0 DFAALO CCCO[C@@H]1CCCN(Cc2[nH+]ccn2CC(F)(F)F)C1 ZINC000095399451 185353653 /nfs/dbraw/zinc/35/36/53/185353653.db2.gz VZTXISNWGVELIH-GFCCVEGCSA-N 1 2 305.344 2.836 50 0 DFAALO CNc1ccc(Nc2ccc(C(=O)Nc3ccccc3)nn2)c[nH+]1 ZINC000095399218 185353683 /nfs/dbraw/zinc/35/36/83/185353683.db2.gz HCTCUKAOPLIPLU-UHFFFAOYSA-N 1 2 320.356 2.909 50 0 DFAALO COc1ccccc1[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095401515 185354723 /nfs/dbraw/zinc/35/47/23/185354723.db2.gz WCNNYBQGUOTWQK-INIZCTEOSA-N 1 2 311.429 2.969 50 0 DFAALO CC1CCC(O)(CSc2nnc(C[NH+]3CCCC3)o2)CC1 ZINC000095404018 185355106 /nfs/dbraw/zinc/35/51/06/185355106.db2.gz AVMORWLKABTHQV-UHFFFAOYSA-N 1 2 311.451 2.699 50 0 DFAALO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1COc2ccccc21 ZINC000095396700 185353066 /nfs/dbraw/zinc/35/30/66/185353066.db2.gz LAJXDLBNZBFZQI-GDBMZVCRSA-N 1 2 313.401 2.590 50 0 DFAALO CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2[nH+]ccn2C)c1C(C)C ZINC000095435514 185364496 /nfs/dbraw/zinc/36/44/96/185364496.db2.gz IGXNSWWLRHKGPI-UHFFFAOYSA-N 1 2 316.405 2.655 50 0 DFAALO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000097033013 185399834 /nfs/dbraw/zinc/39/98/34/185399834.db2.gz KEHITLPOCGIPSR-GFCCVEGCSA-N 1 2 316.405 2.619 50 0 DFAALO CC(C)(C)c1ccccc1OCCOCC[NH+]1CCOCC1 ZINC000023549882 398425296 /nfs/dbraw/zinc/42/52/96/398425296.db2.gz YHASBDXTDXTRQE-UHFFFAOYSA-N 1 2 307.434 2.712 50 0 DFAALO Cc1cccc(C)c1N[C@@H](C)C(=O)NCc1c[nH+]cn1C1CC1 ZINC000584893829 398428132 /nfs/dbraw/zinc/42/81/32/398428132.db2.gz SYTJPFAMVPWEBU-AWEZNQCLSA-N 1 2 312.417 2.952 50 0 DFAALO Cc1ccccc1C1(NC(=O)C[N@@H+](C)Cc2ccncc2)CC1 ZINC000584899433 398430050 /nfs/dbraw/zinc/43/00/50/398430050.db2.gz FQGCOUVUGSKYEC-UHFFFAOYSA-N 1 2 309.413 2.627 50 0 DFAALO Cc1ccccc1C1(NC(=O)C[N@H+](C)Cc2ccncc2)CC1 ZINC000584899433 398430053 /nfs/dbraw/zinc/43/00/53/398430053.db2.gz FQGCOUVUGSKYEC-UHFFFAOYSA-N 1 2 309.413 2.627 50 0 DFAALO CCCc1nsc(NCCn2c[nH+]cc2-c2ccccc2)n1 ZINC000585139194 398435183 /nfs/dbraw/zinc/43/51/83/398435183.db2.gz OZYHEYBUCZMLPB-UHFFFAOYSA-N 1 2 313.430 2.888 50 0 DFAALO CCOC(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067486539 398437077 /nfs/dbraw/zinc/43/70/77/398437077.db2.gz BVUOCDGCHSYDJA-INIZCTEOSA-N 1 2 311.809 2.649 50 0 DFAALO CC(C)n1cccc1C(=O)N(C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000328621853 398566540 /nfs/dbraw/zinc/56/65/40/398566540.db2.gz IAIYANMNDPUAGC-AWEZNQCLSA-N 1 2 300.406 2.600 50 0 DFAALO CCc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328639870 398568697 /nfs/dbraw/zinc/56/86/97/398568697.db2.gz PTHGZTNSNHAWBX-KRWDZBQOSA-N 1 2 313.449 2.922 50 0 DFAALO CCc1nn(C)cc1C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328639870 398568701 /nfs/dbraw/zinc/56/87/01/398568701.db2.gz PTHGZTNSNHAWBX-KRWDZBQOSA-N 1 2 313.449 2.922 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CCO1 ZINC000328639853 398569058 /nfs/dbraw/zinc/56/90/58/398569058.db2.gz PRXDVJAIIVMZKY-BJJXKVORSA-N 1 2 316.405 2.588 50 0 DFAALO CCn1cnnc1[C@@H]1C[N@@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CCO1 ZINC000328639853 398569063 /nfs/dbraw/zinc/56/90/63/398569063.db2.gz PRXDVJAIIVMZKY-BJJXKVORSA-N 1 2 316.405 2.588 50 0 DFAALO CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](c2nncn2C)C1 ZINC000328656692 398569689 /nfs/dbraw/zinc/56/96/89/398569689.db2.gz ZOSIPSUECTYBME-GJZGRUSLSA-N 1 2 320.824 2.993 50 0 DFAALO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCO[C@H](c2nncn2C)C1 ZINC000328656692 398569692 /nfs/dbraw/zinc/56/96/92/398569692.db2.gz ZOSIPSUECTYBME-GJZGRUSLSA-N 1 2 320.824 2.993 50 0 DFAALO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2nnc(C3CC3)o2)c1 ZINC000069845912 398587339 /nfs/dbraw/zinc/58/73/39/398587339.db2.gz VJCGKHSXFIGGCX-CQSZACIVSA-N 1 2 301.394 2.507 50 0 DFAALO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2nnc(C3CC3)o2)c1 ZINC000069845912 398587340 /nfs/dbraw/zinc/58/73/40/398587340.db2.gz VJCGKHSXFIGGCX-CQSZACIVSA-N 1 2 301.394 2.507 50 0 DFAALO O=C(Cc1c[nH+]c2ccccn12)N1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071748546 191020447 /nfs/dbraw/zinc/02/04/47/191020447.db2.gz QIZJDXUBVDPYAI-KZNFOHLHSA-N 1 2 309.413 2.771 50 0 DFAALO C[N@H+](CC[C@@H](O)c1ccccc1)Cc1cn(-c2ccccc2)nn1 ZINC000072138848 191048452 /nfs/dbraw/zinc/04/84/52/191048452.db2.gz QEGIFVAXMBECMH-LJQANCHMSA-N 1 2 322.412 2.823 50 0 DFAALO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cn(-c2ccccc2)nn1 ZINC000072138848 191048455 /nfs/dbraw/zinc/04/84/55/191048455.db2.gz QEGIFVAXMBECMH-LJQANCHMSA-N 1 2 322.412 2.823 50 0 DFAALO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ccccc32)[nH+]cn1 ZINC000072276033 191096636 /nfs/dbraw/zinc/09/66/36/191096636.db2.gz IWTURUZXOPHTSX-GDBMZVCRSA-N 1 2 310.401 2.537 50 0 DFAALO OC[C@H]1CCCN1c1cc(N[C@@H]2CCc3ccccc32)nc[nH+]1 ZINC000072276033 191096638 /nfs/dbraw/zinc/09/66/38/191096638.db2.gz IWTURUZXOPHTSX-GDBMZVCRSA-N 1 2 310.401 2.537 50 0 DFAALO CCc1[nH+]c2ccccc2n1Cc1noc(C2CCOCC2)n1 ZINC000225606203 186282678 /nfs/dbraw/zinc/28/26/78/186282678.db2.gz VNFHISYHFQFKKP-UHFFFAOYSA-N 1 2 312.373 2.924 50 0 DFAALO O[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000225651202 186286664 /nfs/dbraw/zinc/28/66/64/186286664.db2.gz CFQHALFYBRXUQO-GJZGRUSLSA-N 1 2 302.349 2.999 50 0 DFAALO O[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000225651202 186286666 /nfs/dbraw/zinc/28/66/66/186286666.db2.gz CFQHALFYBRXUQO-GJZGRUSLSA-N 1 2 302.349 2.999 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC000072313398 191120190 /nfs/dbraw/zinc/12/01/90/191120190.db2.gz KSHLKQQZCFBOFU-TZMCWYRMSA-N 1 2 301.390 2.636 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)c1cc(C)oc1C)C2 ZINC000072313400 191119737 /nfs/dbraw/zinc/11/97/37/191119737.db2.gz KSHLKQQZCFBOFU-OCCSQVGLSA-N 1 2 301.390 2.636 50 0 DFAALO Cc1nn(C)c2nc[nH+]c(N(C)Cc3cccc(Cl)c3)c12 ZINC000072424729 191159825 /nfs/dbraw/zinc/15/98/25/191159825.db2.gz SFUHSHPFVBQXRL-UHFFFAOYSA-N 1 2 301.781 2.962 50 0 DFAALO Cn1ccnc1C[N@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072479058 191180232 /nfs/dbraw/zinc/18/02/32/191180232.db2.gz BMZQWNXHTRQFPE-UHFFFAOYSA-N 1 2 301.434 2.756 50 0 DFAALO Cn1ccnc1C[N@@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072479058 191180235 /nfs/dbraw/zinc/18/02/35/191180235.db2.gz BMZQWNXHTRQFPE-UHFFFAOYSA-N 1 2 301.434 2.756 50 0 DFAALO O=C(COc1cccc(-n2cc[nH+]c2)c1)NC(C1CC1)C1CC1 ZINC000072674214 191211297 /nfs/dbraw/zinc/21/12/97/191211297.db2.gz YTQYDWAHFVWFOZ-UHFFFAOYSA-N 1 2 311.385 2.556 50 0 DFAALO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000002767944 180954825 /nfs/dbraw/zinc/95/48/25/180954825.db2.gz NTQRYGYKYCPCDN-LBPRGKRZSA-N 1 2 307.781 2.510 50 0 DFAALO CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000110678709 398723180 /nfs/dbraw/zinc/72/31/80/398723180.db2.gz YWMIZINGJUGEEI-MGPQQGTHSA-N 1 2 310.467 2.587 50 0 DFAALO CCSCC[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000074912036 191384597 /nfs/dbraw/zinc/38/45/97/191384597.db2.gz WFTMWEUJOLYJHZ-OLZOCXBDSA-N 1 2 310.467 2.830 50 0 DFAALO CCSCC[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000074912041 191385211 /nfs/dbraw/zinc/38/52/11/191385211.db2.gz WFTMWEUJOLYJHZ-QWHCGFSZSA-N 1 2 310.467 2.830 50 0 DFAALO C[C@@H]1CCc2sc(C(=O)NCCCn3cc[nH+]c3)cc2C1 ZINC000005267522 181224304 /nfs/dbraw/zinc/22/43/04/181224304.db2.gz XHIAMNYHSNJXDT-GFCCVEGCSA-N 1 2 303.431 2.890 50 0 DFAALO CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000074890745 398773431 /nfs/dbraw/zinc/77/34/31/398773431.db2.gz POTDFGDXZQIIHR-BFHYXJOUSA-N 1 2 322.478 2.973 50 0 DFAALO Cc1[nH+]c2cc(NS(=O)(=O)Cc3ccccc3)ccc2n1C ZINC000074985735 398778965 /nfs/dbraw/zinc/77/89/65/398778965.db2.gz GOYUDRAEVNXXEH-UHFFFAOYSA-N 1 2 315.398 2.824 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC000075602362 398812472 /nfs/dbraw/zinc/81/24/72/398812472.db2.gz COLMQLVQQQBZQD-NWDGAFQWSA-N 1 2 321.812 2.503 50 0 DFAALO O=C(Nc1cccc(F)c1)N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000170091153 399005675 /nfs/dbraw/zinc/00/56/75/399005675.db2.gz MUMQRQBMVXJDOC-AWEZNQCLSA-N 1 2 318.352 2.526 50 0 DFAALO O=C(NCc1ccc(C[NH+]2CCOCC2)o1)C1CCCCCC1 ZINC000170595036 399007072 /nfs/dbraw/zinc/00/70/72/399007072.db2.gz HWACKLODUJHNFS-UHFFFAOYSA-N 1 2 320.433 2.698 50 0 DFAALO COc1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000006590473 181358789 /nfs/dbraw/zinc/35/87/89/181358789.db2.gz OYLGAGGSTKXJRO-UHFFFAOYSA-N 1 2 314.385 2.774 50 0 DFAALO COc1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000006590473 181358790 /nfs/dbraw/zinc/35/87/90/181358790.db2.gz OYLGAGGSTKXJRO-UHFFFAOYSA-N 1 2 314.385 2.774 50 0 DFAALO COc1ccc2cccc(CC(=O)N[C@@H](C)c3[nH]cc[nH+]3)c2c1 ZINC000170617839 399012702 /nfs/dbraw/zinc/01/27/02/399012702.db2.gz CUEUEXIDYBKNIG-LBPRGKRZSA-N 1 2 309.369 2.991 50 0 DFAALO COCc1nc(C)cc(NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000091506326 193066316 /nfs/dbraw/zinc/06/63/16/193066316.db2.gz NFKVDRIETYVNLF-UHFFFAOYSA-N 1 2 309.373 2.729 50 0 DFAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091713562 193095738 /nfs/dbraw/zinc/09/57/38/193095738.db2.gz IHQQTFXZSKAGNS-JTQLQIEISA-N 1 2 301.321 2.848 50 0 DFAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cc(=O)c2cc(F)ccc2[nH]1 ZINC000091713562 193095740 /nfs/dbraw/zinc/09/57/40/193095740.db2.gz IHQQTFXZSKAGNS-JTQLQIEISA-N 1 2 301.321 2.848 50 0 DFAALO CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(O)c(C)c2)CC1 ZINC000091625615 193081171 /nfs/dbraw/zinc/08/11/71/193081171.db2.gz PXFWVHALBSMZLA-UHFFFAOYSA-N 1 2 313.401 2.937 50 0 DFAALO CSc1nc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)cs1 ZINC000218904849 201545684 /nfs/dbraw/zinc/54/56/84/201545684.db2.gz URZOFYNATMAATR-LLVKDONJSA-N 1 2 322.459 2.614 50 0 DFAALO CCOc1ccc(CC(=O)N(Cc2[nH+]ccn2C)C2CC2)cc1 ZINC000222800603 201622356 /nfs/dbraw/zinc/62/23/56/201622356.db2.gz YTNMEVLGENLSAF-UHFFFAOYSA-N 1 2 313.401 2.553 50 0 DFAALO CS[C@H]1CC[C@@H](NC(=O)NCc2cn3c(cccc3C)[nH+]2)C1 ZINC000096440601 193646121 /nfs/dbraw/zinc/64/61/21/193646121.db2.gz VVNKPLZTLISFAP-OCCSQVGLSA-N 1 2 318.446 2.726 50 0 DFAALO CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc[nH+]c2N(C)C)s1 ZINC000096454129 193654633 /nfs/dbraw/zinc/65/46/33/193654633.db2.gz RIMUHXINUICUKX-JTQLQIEISA-N 1 2 320.418 2.872 50 0 DFAALO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccccc1OC ZINC000012548188 181775046 /nfs/dbraw/zinc/77/50/46/181775046.db2.gz LHFWMNGLABRCBB-UHFFFAOYSA-N 1 2 323.396 2.924 50 0 DFAALO CCc1noc(C)c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016579993 182050224 /nfs/dbraw/zinc/05/02/24/182050224.db2.gz MZTBGEDFHLUJNH-UHFFFAOYSA-N 1 2 313.401 2.503 50 0 DFAALO O=C(CCCc1ccccc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000016604722 182052157 /nfs/dbraw/zinc/05/21/57/182052157.db2.gz GODALCQQBJCPCE-UHFFFAOYSA-N 1 2 312.413 2.947 50 0 DFAALO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017269056 182080907 /nfs/dbraw/zinc/08/09/07/182080907.db2.gz OYXKCVCFTWDNHJ-ZDUSSCGKSA-N 1 2 311.389 2.615 50 0 DFAALO O=C(c1ccccc1F)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019347623 182118061 /nfs/dbraw/zinc/11/80/61/182118061.db2.gz HTLOIKXBEKIEHO-UHFFFAOYSA-N 1 2 316.351 2.923 50 0 DFAALO O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCOCC1 ZINC000019535222 182129171 /nfs/dbraw/zinc/12/91/71/182129171.db2.gz JLCNOUPZLKSARL-LJQANCHMSA-N 1 2 312.413 2.518 50 0 DFAALO COC(=O)[C@@H]1C[C@@H](Oc2cc(C)c(Cl)c(C)c2Cl)C[NH2+]1 ZINC000019735854 182140076 /nfs/dbraw/zinc/14/00/76/182140076.db2.gz ILLSBEGHCONTKT-ZJUUUORDSA-N 1 2 318.200 2.893 50 0 DFAALO Cn1cccc1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000019789515 182149468 /nfs/dbraw/zinc/14/94/68/182149468.db2.gz WHRYIUBUHHUKND-UHFFFAOYSA-N 1 2 317.820 2.637 50 0 DFAALO COc1ccccc1C[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000019831418 182154861 /nfs/dbraw/zinc/15/48/61/182154861.db2.gz XNFUTTJOPVPKJC-UHFFFAOYSA-N 1 2 316.426 2.715 50 0 DFAALO Cc1nc(NC(=O)C[N@@H+]2CCc3ccccc3C2)sc1C ZINC000019852625 182157060 /nfs/dbraw/zinc/15/70/60/182157060.db2.gz KWSMSOSZBABSTR-UHFFFAOYSA-N 1 2 301.415 2.757 50 0 DFAALO Cc1nc(NC(=O)C[N@H+]2CCc3ccccc3C2)sc1C ZINC000019852625 182157061 /nfs/dbraw/zinc/15/70/61/182157061.db2.gz KWSMSOSZBABSTR-UHFFFAOYSA-N 1 2 301.415 2.757 50 0 DFAALO O=C(NC1CCCCCC1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019973442 182172519 /nfs/dbraw/zinc/17/25/19/182172519.db2.gz NKIBRODZYJMNDK-UHFFFAOYSA-N 1 2 316.445 2.971 50 0 DFAALO CCN1CC[NH+]([C@H](c2cccs2)[C@@H](C)NC(=O)C(C)C)CC1 ZINC000020288026 182203301 /nfs/dbraw/zinc/20/33/01/182203301.db2.gz SWBDOJSSVFWGLH-ZBFHGGJFSA-N 1 2 323.506 2.587 50 0 DFAALO CCCCn1nnnc1C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000040038983 183028893 /nfs/dbraw/zinc/02/88/93/183028893.db2.gz KQYPPQIXHZSQGD-INIZCTEOSA-N 1 2 315.421 2.819 50 0 DFAALO CCCCn1nnnc1C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000040038983 183028895 /nfs/dbraw/zinc/02/88/95/183028895.db2.gz KQYPPQIXHZSQGD-INIZCTEOSA-N 1 2 315.421 2.819 50 0 DFAALO CCOc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)C)cc1 ZINC000040139177 183039180 /nfs/dbraw/zinc/03/91/80/183039180.db2.gz ILXOKXDGGSIOLH-HNNXBMFYSA-N 1 2 301.390 2.946 50 0 DFAALO CCOc1ccc(C[N@H+](C)CC(=O)Nc2nccs2)cc1 ZINC000040473329 183073913 /nfs/dbraw/zinc/07/39/13/183073913.db2.gz NRRQYBTXBOCGOG-UHFFFAOYSA-N 1 2 305.403 2.612 50 0 DFAALO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2nccs2)cc1 ZINC000040473329 183073915 /nfs/dbraw/zinc/07/39/15/183073915.db2.gz NRRQYBTXBOCGOG-UHFFFAOYSA-N 1 2 305.403 2.612 50 0 DFAALO CC(C)(C)c1noc(CN2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000040496222 183081223 /nfs/dbraw/zinc/08/12/23/183081223.db2.gz UYBKPUYSESSBSK-UHFFFAOYSA-N 1 2 320.462 2.746 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)c1cc2c(s1)CCC2 ZINC000040534586 183095035 /nfs/dbraw/zinc/09/50/35/183095035.db2.gz WJVAWFSAMIPYNJ-UHFFFAOYSA-N 1 2 301.415 2.628 50 0 DFAALO CN(Cc1cccs1)c1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041529237 183197716 /nfs/dbraw/zinc/19/77/16/183197716.db2.gz CHCUXXRXYVSARE-UHFFFAOYSA-N 1 2 322.397 2.908 50 0 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425886378 /nfs/dbraw/zinc/88/63/78/425886378.db2.gz SDOLCWGMBPYHHV-OAHLLOKOSA-N 1 2 323.400 2.714 50 0 DFAALO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc3c(cnn3C)c(=O)[nH]2)c1 ZINC000052863781 425886379 /nfs/dbraw/zinc/88/63/79/425886379.db2.gz SDOLCWGMBPYHHV-OAHLLOKOSA-N 1 2 323.400 2.714 50 0 DFAALO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1cc(NC2CC2)[nH+]cn1 ZINC000575603370 543452614 /nfs/dbraw/zinc/45/26/14/543452614.db2.gz CQEPWAUWMUISFF-LQDVMPOASA-N 1 2 324.432 2.699 50 0 DFAALO Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2c1cc(NC2CC2)nc[nH+]1 ZINC000575603370 543452618 /nfs/dbraw/zinc/45/26/18/543452618.db2.gz CQEPWAUWMUISFF-LQDVMPOASA-N 1 2 324.432 2.699 50 0 DFAALO Cc1nc(C)c(C(=O)NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000053267446 425887308 /nfs/dbraw/zinc/88/73/08/425887308.db2.gz HMJHQKVMWVCVMH-UHFFFAOYSA-N 1 2 321.471 2.610 50 0 DFAALO Cc1nc(C)c(C(=O)NCC[N@H+]2CCc3sccc3C2)s1 ZINC000053267446 425887309 /nfs/dbraw/zinc/88/73/09/425887309.db2.gz HMJHQKVMWVCVMH-UHFFFAOYSA-N 1 2 321.471 2.610 50 0 DFAALO O=C(C[C@H]1C(=O)OCC[N@@H+]1C1CCCCC1)Nc1ccccc1 ZINC000054253746 425889684 /nfs/dbraw/zinc/88/96/84/425889684.db2.gz OFAPJSYLMOTHNC-INIZCTEOSA-N 1 2 316.401 2.575 50 0 DFAALO O=C(C[C@H]1C(=O)OCC[N@H+]1C1CCCCC1)Nc1ccccc1 ZINC000054253746 425889685 /nfs/dbraw/zinc/88/96/85/425889685.db2.gz OFAPJSYLMOTHNC-INIZCTEOSA-N 1 2 316.401 2.575 50 0 DFAALO CC[C@@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000055196604 425892353 /nfs/dbraw/zinc/89/23/53/425892353.db2.gz VKFVXQATGAYWFX-LBPRGKRZSA-N 1 2 311.813 2.748 50 0 DFAALO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000055196604 425892354 /nfs/dbraw/zinc/89/23/54/425892354.db2.gz VKFVXQATGAYWFX-LBPRGKRZSA-N 1 2 311.813 2.748 50 0 DFAALO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1 ZINC000010051533 287345968 /nfs/dbraw/zinc/34/59/68/287345968.db2.gz OVKNOSRCPFUVMR-LLVKDONJSA-N 1 2 324.808 2.782 50 0 DFAALO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCO3)C1 ZINC000010051533 287345970 /nfs/dbraw/zinc/34/59/70/287345970.db2.gz 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429397324 /nfs/dbraw/zinc/39/73/24/429397324.db2.gz XLEWTLXKCKONAH-AWEZNQCLSA-N 1 2 301.365 3.083 50 0 DFAALO Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)Cc1ccc(C)o1)CCC2 ZINC000367209006 429597907 /nfs/dbraw/zinc/59/79/07/429597907.db2.gz YVQLWKYDLSJXBQ-CQSZACIVSA-N 1 2 316.405 2.812 50 0 DFAALO C[NH+](C)[C@@H](C(=O)NC1(CO)CCCCCC1)c1ccccc1F ZINC000095368652 289272482 /nfs/dbraw/zinc/27/24/82/289272482.db2.gz ALJDMTSWAZXFOY-MRXNPFEDSA-N 1 2 322.424 2.630 50 0 DFAALO C[C@@H]1Cc2c3ccccc3[nH]c2[C@]2([NH2+]1)c1ccccc1NC2=O ZINC000019703426 297496622 /nfs/dbraw/zinc/49/66/22/297496622.db2.gz BVTYYZQREOKDJA-NSPYISDASA-N 1 2 303.365 2.898 50 0 DFAALO Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)cc[nH+]1 ZINC000153482390 323213765 /nfs/dbraw/zinc/21/37/65/323213765.db2.gz VXYUXHMALBDSKE-UHFFFAOYSA-N 1 2 300.742 2.983 50 0 DFAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc2c1NCCC2)C1CC1 ZINC000534646630 334306798 /nfs/dbraw/zinc/30/67/98/334306798.db2.gz VIUMVFSDBYPOIK-INIZCTEOSA-N 1 2 310.401 2.659 50 0 DFAALO CCC[C@H](NC(=O)COCc1ccccc1)c1[nH+]ccn1C ZINC000534649997 334311310 /nfs/dbraw/zinc/31/13/10/334311310.db2.gz LMXNCDXRKTWUFT-HNNXBMFYSA-N 1 2 301.390 2.594 50 0 DFAALO CC[C@H](NC(=O)Cc1c[nH+]c2c(C)cccn12)c1cccnc1 ZINC000534661899 334321973 /nfs/dbraw/zinc/32/19/73/334321973.db2.gz LKGGPHBZAAPLGG-INIZCTEOSA-N 1 2 308.385 2.848 50 0 DFAALO CC[C@@H](NC(=O)Cc1c[nH+]c2c(C)cccn12)c1cccnc1 ZINC000534661900 334322471 /nfs/dbraw/zinc/32/24/71/334322471.db2.gz LKGGPHBZAAPLGG-MRXNPFEDSA-N 1 2 308.385 2.848 50 0 DFAALO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1csc(C2CC2)n1)C1CC1 ZINC000328655421 526493315 /nfs/dbraw/zinc/49/33/15/526493315.db2.gz YKEISIQVMBRZEL-INIZCTEOSA-N 1 2 319.474 2.996 50 0 DFAALO CC(=O)N(C[C@@H]1CCC[N@H+]1Cc1csc(C2CC2)n1)C1CC1 ZINC000328655421 526493320 /nfs/dbraw/zinc/49/33/20/526493320.db2.gz YKEISIQVMBRZEL-INIZCTEOSA-N 1 2 319.474 2.996 50 0 DFAALO CC(C)Cn1c[nH+]cc1CN1C(=O)CC2(CCCC2)CC1=O ZINC000095499000 185374813 /nfs/dbraw/zinc/37/48/13/185374813.db2.gz JHZWQCZYUOCORM-UHFFFAOYSA-N 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CN(C)c1cccc(C[N@@H+](C)[C@H](C(N)=O)c2cccc(F)c2)c1 ZINC000072599560 426018185 /nfs/dbraw/zinc/01/81/85/426018185.db2.gz HGWMWIOSAYQUFT-KRWDZBQOSA-N 1 2 315.392 2.550 50 0 DFAALO CCS(=O)(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000170604433 426138848 /nfs/dbraw/zinc/13/88/48/426138848.db2.gz KHYAEDXNMODJKS-UHFFFAOYSA-N 1 2 319.430 2.518 50 0 DFAALO Cc1cn(CCn2cc[nH+]c2-c2ccnc3ccccc32)nn1 ZINC000077488713 426137208 /nfs/dbraw/zinc/13/72/08/426137208.db2.gz AVRRDWQQXQRFQV-UHFFFAOYSA-N 1 2 304.357 2.698 50 0 DFAALO CN(CC1CCC1)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075456374 426073736 /nfs/dbraw/zinc/07/37/36/426073736.db2.gz SBXZCURKVYLQGP-UHFFFAOYSA-N 1 2 312.417 2.873 50 0 DFAALO Cc1cc(C[N@H+](C)C[C@@H](c2cccs2)N2CCOCC2)no1 ZINC000075603673 426078616 /nfs/dbraw/zinc/07/86/16/426078616.db2.gz RVNVYIJTUIVSHX-HNNXBMFYSA-N 1 2 321.446 2.550 50 0 DFAALO Cc1cc(C[N@@H+](C)C[C@@H](c2cccs2)N2CCOCC2)no1 ZINC000075603673 426078619 /nfs/dbraw/zinc/07/86/19/426078619.db2.gz RVNVYIJTUIVSHX-HNNXBMFYSA-N 1 2 321.446 2.550 50 0 DFAALO Cn1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000077564456 426139592 /nfs/dbraw/zinc/13/95/92/426139592.db2.gz CWUGHNFFHFKODN-ZDUSSCGKSA-N 1 2 308.385 2.921 50 0 DFAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000082087860 426226804 /nfs/dbraw/zinc/22/68/04/426226804.db2.gz YODDXNLPXDCSIR-OAHLLOKOSA-N 1 2 315.392 2.898 50 0 DFAALO FC(F)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000136581810 426242908 /nfs/dbraw/zinc/24/29/08/426242908.db2.gz MNXVTIAHTGLZQR-UHFFFAOYSA-N 1 2 322.149 2.965 50 0 DFAALO CC(C)Cc1nnc(NC(=O)C[N@H+](C)[C@@H](C)c2ccco2)s1 ZINC000089856611 426313699 /nfs/dbraw/zinc/31/36/99/426313699.db2.gz PXLQMXWPLBKWLN-NSHDSACASA-N 1 2 322.434 2.961 50 0 DFAALO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccco2)s1 ZINC000089856611 426313701 /nfs/dbraw/zinc/31/37/01/426313701.db2.gz PXLQMXWPLBKWLN-NSHDSACASA-N 1 2 322.434 2.961 50 0 DFAALO C[C@]1(CNC(=O)NCCCCNc2cccc[nH+]2)CCCS1 ZINC000089919374 426318573 /nfs/dbraw/zinc/31/85/73/426318573.db2.gz 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C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C\c1cccc2ccccc12 ZINC000096401606 426414422 /nfs/dbraw/zinc/41/44/22/426414422.db2.gz PVQWQRZJGKJTRF-YDZSZYSISA-N 1 2 324.424 2.690 50 0 DFAALO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)c1nccs1 ZINC000096410147 426415747 /nfs/dbraw/zinc/41/57/47/426415747.db2.gz ZMTRFZSPOWJKCS-AWEZNQCLSA-N 1 2 316.430 2.556 50 0 DFAALO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)c1nccs1 ZINC000096410147 426415749 /nfs/dbraw/zinc/41/57/49/426415749.db2.gz ZMTRFZSPOWJKCS-AWEZNQCLSA-N 1 2 316.430 2.556 50 0 DFAALO O=C(Nc1ccc(F)cn1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000096410045 426416317 /nfs/dbraw/zinc/41/63/17/426416317.db2.gz XZXGNIZZBGMNNC-HNNXBMFYSA-N 1 2 314.364 2.609 50 0 DFAALO O=C(Nc1ccc(F)cn1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000096410045 426416321 /nfs/dbraw/zinc/41/63/21/426416321.db2.gz XZXGNIZZBGMNNC-HNNXBMFYSA-N 1 2 314.364 2.609 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000096439075 426425932 /nfs/dbraw/zinc/42/59/32/426425932.db2.gz 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CCC[C@@H](NC(=O)c1scc2c1OCCO2)c1[nH+]ccn1C ZINC000223287380 426587274 /nfs/dbraw/zinc/58/72/74/426587274.db2.gz QFTBYSURBIEUJO-SNVBAGLBSA-N 1 2 321.402 2.524 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)c1ccc(C)cc1Cl)C2 ZINC000225421922 426598773 /nfs/dbraw/zinc/59/87/73/426598773.db2.gz YYCQEVGJJUFLED-LBPRGKRZSA-N 1 2 303.793 2.898 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)c1ccc(C)cc1Cl)C2 ZINC000225421884 426599507 /nfs/dbraw/zinc/59/95/07/426599507.db2.gz YYCQEVGJJUFLED-GFCCVEGCSA-N 1 2 303.793 2.898 50 0 DFAALO O[C@@H](CNc1cc(N2CCCC2)nc[nH+]1)c1ccc(Cl)s1 ZINC000225480117 426603374 /nfs/dbraw/zinc/60/33/74/426603374.db2.gz MWIFOJRIVCAFJV-JTQLQIEISA-N 1 2 324.837 2.937 50 0 DFAALO O[C@@H](CNc1cc(N2CCCC2)[nH+]cn1)c1ccc(Cl)s1 ZINC000225480117 426603378 /nfs/dbraw/zinc/60/33/78/426603378.db2.gz MWIFOJRIVCAFJV-JTQLQIEISA-N 1 2 324.837 2.937 50 0 DFAALO COc1ccnc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000225515255 426604082 /nfs/dbraw/zinc/60/40/82/426604082.db2.gz SVMSPXBLEKRCGI-NVXWUHKLSA-N 1 2 302.349 2.537 50 0 DFAALO COc1ccnc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000225515255 426604084 /nfs/dbraw/zinc/60/40/84/426604084.db2.gz SVMSPXBLEKRCGI-NVXWUHKLSA-N 1 2 302.349 2.537 50 0 DFAALO Cc1noc(C)c1[C@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000225479129 426604771 /nfs/dbraw/zinc/60/47/71/426604771.db2.gz SDVHASQUJPHLOP-JTQLQIEISA-N 1 2 319.434 2.808 50 0 DFAALO Cc1noc(C)c1[C@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000225479129 426604774 /nfs/dbraw/zinc/60/47/74/426604774.db2.gz SDVHASQUJPHLOP-JTQLQIEISA-N 1 2 319.434 2.808 50 0 DFAALO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000225731309 426610126 /nfs/dbraw/zinc/61/01/26/426610126.db2.gz MPVBYLPLXSAEOU-SJLPKXTDSA-N 1 2 315.417 2.781 50 0 DFAALO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2ccn(C(C)C)n2)c1 ZINC000225731309 426610129 /nfs/dbraw/zinc/61/01/29/426610129.db2.gz MPVBYLPLXSAEOU-SJLPKXTDSA-N 1 2 315.417 2.781 50 0 DFAALO CCc1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)no1 ZINC000229927868 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Cc1ccc(C)c([C@H]2C[N@H+](CCN3CCOC3=O)[C@@H](C)CO2)c1 ZINC000110641185 194345037 /nfs/dbraw/zinc/34/50/37/194345037.db2.gz UQVPUULDDZPVOV-DOTOQJQBSA-N 1 2 318.417 2.517 50 0 DFAALO Cc1ccc(C)c([C@H]2C[N@@H+](CCN3CCOC3=O)[C@@H](C)CO2)c1 ZINC000110641185 194345039 /nfs/dbraw/zinc/34/50/39/194345039.db2.gz UQVPUULDDZPVOV-DOTOQJQBSA-N 1 2 318.417 2.517 50 0 DFAALO CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](C)n1cc[nH+]c1 ZINC000056482462 184013364 /nfs/dbraw/zinc/01/33/64/184013364.db2.gz KUFJEQQTMQDGKQ-QWHCGFSZSA-N 1 2 314.389 2.611 50 0 DFAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc3[nH]cnc3c2)c1C ZINC000057557905 184042095 /nfs/dbraw/zinc/04/20/95/184042095.db2.gz GJLJTQTYJHHGJI-UHFFFAOYSA-N 1 2 324.384 2.856 50 0 DFAALO C[C@@H](C(=O)NCCc1ccccc1Br)n1cc[nH+]c1 ZINC000058218212 184089729 /nfs/dbraw/zinc/08/97/29/184089729.db2.gz BJUCRAMWXWSGTN-NSHDSACASA-N 1 2 322.206 2.566 50 0 DFAALO OCCCc1[nH+]c2ccccc2n1C[C@H](O)c1ccccc1F ZINC000058356083 184108532 /nfs/dbraw/zinc/10/85/32/184108532.db2.gz 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ZINC000065526615 184359872 /nfs/dbraw/zinc/35/98/72/184359872.db2.gz FRWGZLRSBCYHQM-UHFFFAOYSA-N 1 2 301.350 2.568 50 0 DFAALO O[C@H](C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1F ZINC000065498028 184354652 /nfs/dbraw/zinc/35/46/52/184354652.db2.gz FJGUDMJXRYMJSH-MRXNPFEDSA-N 1 2 307.344 2.601 50 0 DFAALO Cc1c(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)cnn1C ZINC000014192312 542423457 /nfs/dbraw/zinc/42/34/57/542423457.db2.gz AYCFGYOVEAKYTO-UHFFFAOYSA-N 1 2 320.824 2.761 50 0 DFAALO Cc1c(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C)cnn1C ZINC000014192312 542423460 /nfs/dbraw/zinc/42/34/60/542423460.db2.gz AYCFGYOVEAKYTO-UHFFFAOYSA-N 1 2 320.824 2.761 50 0 DFAALO Fc1ccc([C@@H]2C[N@H+](CCn3cccn3)CCO2)cc1Cl ZINC000066844805 542458512 /nfs/dbraw/zinc/45/85/12/542458512.db2.gz MILZRNDVLXBKGL-HNNXBMFYSA-N 1 2 309.772 2.749 50 0 DFAALO Fc1ccc([C@@H]2C[N@@H+](CCn3cccn3)CCO2)cc1Cl ZINC000066844805 542458518 /nfs/dbraw/zinc/45/85/18/542458518.db2.gz MILZRNDVLXBKGL-HNNXBMFYSA-N 1 2 309.772 2.749 50 0 DFAALO Cc1cc(=O)oc2cc(C[N@@H+](Cc3nccn3C)C3CC3)ccc12 ZINC000067743639 542460246 /nfs/dbraw/zinc/46/02/46/542460246.db2.gz MRPATHMZEBSNSI-UHFFFAOYSA-N 1 2 323.396 3.000 50 0 DFAALO Cc1cc(=O)oc2cc(C[N@H+](Cc3nccn3C)C3CC3)ccc12 ZINC000067743639 542460249 /nfs/dbraw/zinc/46/02/49/542460249.db2.gz MRPATHMZEBSNSI-UHFFFAOYSA-N 1 2 323.396 3.000 50 0 DFAALO Cc1cc(=O)oc2cc(CN(Cc3[nH+]ccn3C)C3CC3)ccc12 ZINC000067743639 542460251 /nfs/dbraw/zinc/46/02/51/542460251.db2.gz MRPATHMZEBSNSI-UHFFFAOYSA-N 1 2 323.396 3.000 50 0 DFAALO Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000219821767 257273883 /nfs/dbraw/zinc/27/38/83/257273883.db2.gz BYQFZZLSFYHWHU-SFHVURJKSA-N 1 2 309.413 2.827 50 0 DFAALO Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)c(C)n1 ZINC000219821767 257273885 /nfs/dbraw/zinc/27/38/85/257273885.db2.gz BYQFZZLSFYHWHU-SFHVURJKSA-N 1 2 309.413 2.827 50 0 DFAALO CCc1[nH+]c2ccccc2n1CCC(=O)NCc1cc(C)no1 ZINC000426624709 257245226 /nfs/dbraw/zinc/24/52/26/257245226.db2.gz 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COc1ccc(-c2nc(C[N@H+]3CCOCC3(C)C)co2)cc1 ZINC000071824782 425992706 /nfs/dbraw/zinc/99/27/06/425992706.db2.gz OBIGEWIDKUILPP-UHFFFAOYSA-N 1 2 302.374 2.961 50 0 DFAALO COc1ccc(-c2cnc(C[N@@H+]3CCOCC3(C)C)o2)cc1 ZINC000071831045 425993279 /nfs/dbraw/zinc/99/32/79/425993279.db2.gz XEGOXFMYQXZEPZ-UHFFFAOYSA-N 1 2 302.374 2.961 50 0 DFAALO COc1ccc(-c2cnc(C[N@H+]3CCOCC3(C)C)o2)cc1 ZINC000071831045 425993281 /nfs/dbraw/zinc/99/32/81/425993281.db2.gz XEGOXFMYQXZEPZ-UHFFFAOYSA-N 1 2 302.374 2.961 50 0 DFAALO O=C([C@H]1C[C@H]1c1ccco1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000071835155 425993652 /nfs/dbraw/zinc/99/36/52/425993652.db2.gz HYUAKDDLKGPSPK-CABCVRRESA-N 1 2 316.426 2.789 50 0 DFAALO Cc1cnn(C[C@H]2CCC[N@@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000071875914 425997782 /nfs/dbraw/zinc/99/77/82/425997782.db2.gz UQLIFKOECHYKTF-CYBMUJFWSA-N 1 2 303.410 2.537 50 0 DFAALO Cc1cnn(C[C@H]2CCC[N@H+]2Cc2noc(C(C)(C)C)n2)c1 ZINC000071875914 425997785 /nfs/dbraw/zinc/99/77/85/425997785.db2.gz UQLIFKOECHYKTF-CYBMUJFWSA-N 1 2 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Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nncs2)c1 ZINC000055909341 184000132 /nfs/dbraw/zinc/00/01/32/184000132.db2.gz BUQZWVYMBPMYGG-ZDUSSCGKSA-N 1 2 302.403 2.622 50 0 DFAALO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nncs2)c1 ZINC000055909341 184000134 /nfs/dbraw/zinc/00/01/34/184000134.db2.gz BUQZWVYMBPMYGG-ZDUSSCGKSA-N 1 2 302.403 2.622 50 0 DFAALO C[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1cccc(C(N)=O)c1 ZINC000056514567 184014134 /nfs/dbraw/zinc/01/41/34/184014134.db2.gz HGPZQKUZAAXHLM-UHFFFAOYSA-N 1 2 301.390 2.703 50 0 DFAALO C[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1cccc(C(N)=O)c1 ZINC000056514567 184014136 /nfs/dbraw/zinc/01/41/36/184014136.db2.gz HGPZQKUZAAXHLM-UHFFFAOYSA-N 1 2 301.390 2.703 50 0 DFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1c[nH]c2ccccc12 ZINC000055983817 184002779 /nfs/dbraw/zinc/00/27/79/184002779.db2.gz XXZAOQRNIZXDLU-UHFFFAOYSA-N 1 2 317.352 2.679 50 0 DFAALO O=C(CC1CCCC1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000056921536 184021252 /nfs/dbraw/zinc/02/12/52/184021252.db2.gz XYQFSCQHSXBBNX-OAHLLOKOSA-N 1 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ZINC000062089594 184205557 /nfs/dbraw/zinc/20/55/57/184205557.db2.gz LTYWUYQUEMDWLP-UHFFFAOYSA-N 1 2 312.388 2.826 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc2c1CC[C@@H](C)C2 ZINC000065408869 184339330 /nfs/dbraw/zinc/33/93/30/184339330.db2.gz HISUIMGDFYZTLG-VXGBXAGGSA-N 1 2 303.431 2.888 50 0 DFAALO C[C@@H](c1ccc(F)c(F)c1)N(C)c1[nH+]cnc2c1cnn2C ZINC000065410509 184340106 /nfs/dbraw/zinc/34/01/06/184340106.db2.gz DVRLFUNRLRTDAV-VIFPVBQESA-N 1 2 303.316 2.839 50 0 DFAALO COc1cc2c(cc1C[N@H+](C)Cc1ncccc1C)OCO2 ZINC000065463987 184349689 /nfs/dbraw/zinc/34/96/89/184349689.db2.gz ZDQYEZDSNGTMDK-UHFFFAOYSA-N 1 2 300.358 2.759 50 0 DFAALO COc1cc2c(cc1C[N@@H+](C)Cc1ncccc1C)OCO2 ZINC000065463987 184349691 /nfs/dbraw/zinc/34/96/91/184349691.db2.gz ZDQYEZDSNGTMDK-UHFFFAOYSA-N 1 2 300.358 2.759 50 0 DFAALO Cc1csc([C@@H]2C[N@H+](C[C@H](O)c3ccccc3F)CCO2)n1 ZINC000065466795 184350099 /nfs/dbraw/zinc/35/00/99/184350099.db2.gz BOAFBMKFZLHXCT-GJZGRUSLSA-N 1 2 322.405 2.698 50 0 DFAALO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)c3ccccc3F)CCO2)n1 ZINC000065466795 184350100 /nfs/dbraw/zinc/35/01/00/184350100.db2.gz BOAFBMKFZLHXCT-GJZGRUSLSA-N 1 2 322.405 2.698 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1cccc(-n2cccn2)c1 ZINC000065395367 184335467 /nfs/dbraw/zinc/33/54/67/184335467.db2.gz VHNKOTFLWYVSLX-UHFFFAOYSA-N 1 2 323.400 2.658 50 0 DFAALO CCCc1nc(NCc2nnc(-c3ccncc3)[nH]2)cc(C)[nH+]1 ZINC000065404643 184338108 /nfs/dbraw/zinc/33/81/08/184338108.db2.gz URICKDKLJBLHFN-UHFFFAOYSA-N 1 2 309.377 2.530 50 0 DFAALO CCCc1nc(NCc2n[nH]c(-c3ccncc3)n2)cc(C)[nH+]1 ZINC000065404643 184338109 /nfs/dbraw/zinc/33/81/09/184338109.db2.gz URICKDKLJBLHFN-UHFFFAOYSA-N 1 2 309.377 2.530 50 0 DFAALO CCOC(=O)Cc1n[nH]c([C@H](C)[NH2+]C2CCCCCCC2)n1 ZINC000065406782 184338710 /nfs/dbraw/zinc/33/87/10/184338710.db2.gz KUTGRUULECNMFH-LBPRGKRZSA-N 1 2 308.426 2.674 50 0 DFAALO CCOC(=O)Cc1nnc([C@H](C)[NH2+]C2CCCCCCC2)[nH]1 ZINC000065406782 184338711 /nfs/dbraw/zinc/33/87/11/184338711.db2.gz 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542420957 /nfs/dbraw/zinc/42/09/57/542420957.db2.gz RODPANLOEKVILJ-AWEZNQCLSA-N 1 2 319.792 2.753 50 0 DFAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H]1C(N)=O ZINC000012303705 542420959 /nfs/dbraw/zinc/42/09/59/542420959.db2.gz RODPANLOEKVILJ-AWEZNQCLSA-N 1 2 319.792 2.753 50 0 DFAALO CC1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000014199933 542423471 /nfs/dbraw/zinc/42/34/71/542423471.db2.gz LUECIEUXOROOLW-UHFFFAOYSA-N 1 2 316.384 2.568 50 0 DFAALO CC[N@H+](Cc1nc(COC)no1)Cc1cnc2ccccc2c1 ZINC000055074479 542454382 /nfs/dbraw/zinc/45/43/82/542454382.db2.gz DRLIHJVDLGZRRX-UHFFFAOYSA-N 1 2 312.373 2.786 50 0 DFAALO CC[N@@H+](Cc1nc(COC)no1)Cc1cnc2ccccc2c1 ZINC000055074479 542454388 /nfs/dbraw/zinc/45/43/88/542454388.db2.gz DRLIHJVDLGZRRX-UHFFFAOYSA-N 1 2 312.373 2.786 50 0 DFAALO Cc1cccn2c(CNC(=O)COc3cccc(C)c3C)c[nH+]c12 ZINC000067742412 542460914 /nfs/dbraw/zinc/46/09/14/542460914.db2.gz SCXNVERKOJTKPT-UHFFFAOYSA-N 1 2 323.396 2.955 50 0 DFAALO 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CCOc1ccc(C[N@@H+](C)Cc2csc(C)n2)cc1CO ZINC000215699883 542872874 /nfs/dbraw/zinc/87/28/74/542872874.db2.gz VSVFPBDMENRDDH-UHFFFAOYSA-N 1 2 306.431 2.975 50 0 DFAALO CSc1ncc(C[NH+]2CCC(Oc3cccnc3)CC2)cn1 ZINC000216050045 542874803 /nfs/dbraw/zinc/87/48/03/542874803.db2.gz OSVJZWPSMUVGSH-UHFFFAOYSA-N 1 2 316.430 2.637 50 0 DFAALO Cn1cc(-c2nc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)cs2)cn1 ZINC000052442192 425884379 /nfs/dbraw/zinc/88/43/79/425884379.db2.gz VQGNJTNSZIJXOC-GJZGRUSLSA-N 1 2 318.446 2.687 50 0 DFAALO Cn1cc(-c2nc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)cs2)cn1 ZINC000052442192 425884380 /nfs/dbraw/zinc/88/43/80/425884380.db2.gz VQGNJTNSZIJXOC-GJZGRUSLSA-N 1 2 318.446 2.687 50 0 DFAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2ccccc2NC1=O ZINC000019899732 292298180 /nfs/dbraw/zinc/29/81/80/292298180.db2.gz LQUFCEDIAFHNSQ-LJQANCHMSA-N 1 2 303.365 2.818 50 0 DFAALO Cc1noc(C2CC[NH+]([C@H](C)c3nc(C4CC4)no3)CC2)n1 ZINC000053618442 425888359 /nfs/dbraw/zinc/88/83/59/425888359.db2.gz 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CC(C)Cc1ncc2c(n1)CN(c1cc(NC(C)C)nc[nH+]1)C2 ZINC000067675015 425912177 /nfs/dbraw/zinc/91/21/77/425912177.db2.gz AUDZYUTYDLJLEU-UHFFFAOYSA-N 1 2 312.421 2.806 50 0 DFAALO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(-c2cc[nH]n2)cc1 ZINC000067714547 425912783 /nfs/dbraw/zinc/91/27/83/425912783.db2.gz VZMQFCZSTUKCFR-UHFFFAOYSA-N 1 2 307.357 2.862 50 0 DFAALO Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898683 425914454 /nfs/dbraw/zinc/91/44/54/425914454.db2.gz NJDOFKAGKPOMPL-INIZCTEOSA-N 1 2 323.400 2.682 50 0 biogenic,in-vitro DFAALO COC[C@@H](O)Cn1cc[nH+]c1-c1ccccc1C(F)(F)F ZINC000067847391 425913873 /nfs/dbraw/zinc/91/38/73/425913873.db2.gz WWSOIBGKWAKKCH-JTQLQIEISA-N 1 2 300.280 2.576 50 0 DFAALO CC(C)N(Cc1nccn1C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000067983535 425915682 /nfs/dbraw/zinc/91/56/82/425915682.db2.gz LOAPNSDPVHGJSV-UHFFFAOYSA-N 1 2 323.400 2.657 50 0 DFAALO C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCN1CCOC1=O ZINC000068322607 425917441 /nfs/dbraw/zinc/91/74/41/425917441.db2.gz KTVNKZKSGUNHTE-CYBMUJFWSA-N 1 2 313.401 2.929 50 0 DFAALO C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCN1CCOC1=O ZINC000068322607 425917442 /nfs/dbraw/zinc/91/74/42/425917442.db2.gz KTVNKZKSGUNHTE-CYBMUJFWSA-N 1 2 313.401 2.929 50 0 DFAALO Cc1noc(C)c1C[N@@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000069157744 425930487 /nfs/dbraw/zinc/93/04/87/425930487.db2.gz BDDRJTKCNSFBPM-INIZCTEOSA-N 1 2 301.390 2.868 50 0 DFAALO Cc1noc(C)c1C[N@H+](Cc1cccnc1)C[C@@H]1CCCO1 ZINC000069157744 425930489 /nfs/dbraw/zinc/93/04/89/425930489.db2.gz BDDRJTKCNSFBPM-INIZCTEOSA-N 1 2 301.390 2.868 50 0 DFAALO C[NH+](C)[C@H](CNCc1nc(C2CC2)no1)c1ccccc1Cl ZINC000069157743 425930572 /nfs/dbraw/zinc/93/05/72/425930572.db2.gz PNCBZEAIFYWJLV-CQSZACIVSA-N 1 2 320.824 2.993 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCc1ccc(Cl)cc1 ZINC000069349641 425935748 /nfs/dbraw/zinc/93/57/48/425935748.db2.gz PMQDTEQTCQNBRL-CYBMUJFWSA-N 1 2 320.824 2.857 50 0 DFAALO Cc1ccc(S(=O)(=O)Nc2cccc3ccc[n+](C)c32)cc1 ZINC000000762942 425570589 /nfs/dbraw/zinc/57/05/89/425570589.db2.gz ZDGFRMBJODLHKN-UHFFFAOYSA-N 1 2 313.402 2.774 50 0 DFAALO Cc1[nH+]c2ccccc2n1[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000000614291 425570877 /nfs/dbraw/zinc/57/08/77/425570877.db2.gz HEUFLGWGDPJSCB-QGZVFWFLSA-N 1 2 319.364 2.845 50 0 DFAALO COc1ccc(CC(=O)NCCc2cn3ccc(C)cc3[nH+]2)cc1 ZINC000002960931 425607439 /nfs/dbraw/zinc/60/74/39/425607439.db2.gz OYMKJSCVADDUKN-UHFFFAOYSA-N 1 2 323.396 2.553 50 0 DFAALO Cc1ccc2c(c1)c1c(n2C[C@H](O)Cn2cc[nH+]c2)C(=O)CCC1 ZINC000007425253 425644502 /nfs/dbraw/zinc/64/45/02/425644502.db2.gz GWPZGUYPJJQQFR-CQSZACIVSA-N 1 2 323.396 2.726 50 0 DFAALO O=C(C[NH+]1CCCC1)Nc1ccc(Br)cc1F ZINC000007786134 425652569 /nfs/dbraw/zinc/65/25/69/425652569.db2.gz PAZOEUJYJNQEPD-UHFFFAOYSA-N 1 2 301.159 2.623 50 0 DFAALO CC[C@H]1c2ccsc2CCN1C(=O)COCc1[nH]cc[nH+]1 ZINC000180029931 267710862 /nfs/dbraw/zinc/71/08/62/267710862.db2.gz ZQLNNEMBQIFTOE-LBPRGKRZSA-N 1 2 305.403 2.524 50 0 DFAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccco2)c1C ZINC000008197780 425662128 /nfs/dbraw/zinc/66/21/28/425662128.db2.gz CCTRRDOYBZFFCE-LBPRGKRZSA-N 1 2 318.373 2.714 50 0 DFAALO COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccco2)c1C ZINC000008197780 425662131 /nfs/dbraw/zinc/66/21/31/425662131.db2.gz CCTRRDOYBZFFCE-LBPRGKRZSA-N 1 2 318.373 2.714 50 0 DFAALO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)cc1 ZINC000004550450 425619226 /nfs/dbraw/zinc/61/92/26/425619226.db2.gz TVOPXEKNQCCCGC-QGZVFWFLSA-N 1 2 324.355 2.516 50 0 DFAALO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)cc1 ZINC000004550450 425619228 /nfs/dbraw/zinc/61/92/28/425619228.db2.gz TVOPXEKNQCCCGC-QGZVFWFLSA-N 1 2 324.355 2.516 50 0 DFAALO CNc1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000004741832 425621848 /nfs/dbraw/zinc/62/18/48/425621848.db2.gz XYVGVZVBQJOFIU-HNNXBMFYSA-N 1 2 311.385 2.826 50 0 DFAALO CCc1nc2c3ccccc3oc2c(NN2CC[NH+](C)CC2)[nH+]1 ZINC000005195040 425623481 /nfs/dbraw/zinc/62/34/81/425623481.db2.gz CAJCGMFZHKRAOV-UHFFFAOYSA-N 1 2 311.389 2.513 50 0 DFAALO C[C@@H](NC(=O)C[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000012801144 425739053 /nfs/dbraw/zinc/73/90/53/425739053.db2.gz YIRFAKJHPPPPMT-CYBMUJFWSA-N 1 2 300.427 2.984 50 0 DFAALO C[C@@H](NC(=O)C[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000012801144 425739055 /nfs/dbraw/zinc/73/90/55/425739055.db2.gz YIRFAKJHPPPPMT-CYBMUJFWSA-N 1 2 300.427 2.984 50 0 DFAALO COc1cc(NC(=O)C[N@H+](C)Cc2ccsc2)cc(OC)c1 ZINC000012863553 425741246 /nfs/dbraw/zinc/74/12/46/425741246.db2.gz ZPKIJPAKGMVGHM-UHFFFAOYSA-N 1 2 320.414 2.836 50 0 DFAALO COc1cc(NC(=O)C[N@@H+](C)Cc2ccsc2)cc(OC)c1 ZINC000012863553 425741251 /nfs/dbraw/zinc/74/12/51/425741251.db2.gz ZPKIJPAKGMVGHM-UHFFFAOYSA-N 1 2 320.414 2.836 50 0 DFAALO COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000009050688 425681188 /nfs/dbraw/zinc/68/11/88/425681188.db2.gz PNXHHDKYNUKXFI-NSHDSACASA-N 1 2 316.323 2.908 50 0 DFAALO COc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000009050688 425681192 /nfs/dbraw/zinc/68/11/92/425681192.db2.gz PNXHHDKYNUKXFI-NSHDSACASA-N 1 2 316.323 2.908 50 0 DFAALO CCc1ccc2c(c1)c(C)c(C(=O)NCCc1c[nH+]c[nH]1)n2C ZINC000009262047 425683816 /nfs/dbraw/zinc/68/38/16/425683816.db2.gz IDXGMGBGDNETFV-UHFFFAOYSA-N 1 2 310.401 2.745 50 0 DFAALO CCc1ccc2c(c1)c(C)c(C(=O)NCCc1c[nH]c[nH+]1)n2C ZINC000009262047 425683820 /nfs/dbraw/zinc/68/38/20/425683820.db2.gz IDXGMGBGDNETFV-UHFFFAOYSA-N 1 2 310.401 2.745 50 0 DFAALO Cc1cccn2cc(CSc3ncnc4c3cnn4C)[nH+]c12 ZINC000011494738 425709072 /nfs/dbraw/zinc/70/90/72/425709072.db2.gz DWWHICNQCMGYJX-UHFFFAOYSA-N 1 2 310.386 2.612 50 0 DFAALO CCn1cc[nH+]c1CN1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000011935357 425715219 /nfs/dbraw/zinc/71/52/19/425715219.db2.gz ISOFWWNRIDMZOC-HNNXBMFYSA-N 1 2 319.836 3.000 50 0 DFAALO Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000012983206 425744845 /nfs/dbraw/zinc/74/48/45/425744845.db2.gz LUQPKNIWVIURRW-UHFFFAOYSA-N 1 2 324.424 2.757 50 0 DFAALO Cc1ccc(-c2cc(CC(=O)NCCCn3cc[nH+]c3)no2)cc1 ZINC000012422145 425727473 /nfs/dbraw/zinc/72/74/73/425727473.db2.gz PVURCCPOSNGEOF-UHFFFAOYSA-N 1 2 324.384 2.596 50 0 DFAALO Cc1occc1C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000012575675 425731641 /nfs/dbraw/zinc/73/16/41/425731641.db2.gz YTELOOMZTCMHAD-HNNXBMFYSA-N 1 2 313.332 2.980 50 0 DFAALO FC(F)(F)c1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000019536255 425789113 /nfs/dbraw/zinc/78/91/13/425789113.db2.gz RBCPRQOAWQLMTN-UHFFFAOYSA-N 1 2 322.334 2.818 50 0 DFAALO C[C@@H]1Cc2c3ccccc3[nH]c2[C@@]2([NH2+]1)c1ccccc1NC2=O ZINC000019703430 425790927 /nfs/dbraw/zinc/79/09/27/425790927.db2.gz BVTYYZQREOKDJA-WYRIXSBYSA-N 1 2 303.365 2.898 50 0 DFAALO O=C1Nc2ccccc2[C@]12[NH2+]CCc1c3cc(F)ccc3[nH]c12 ZINC000020046463 425792400 /nfs/dbraw/zinc/79/24/00/425792400.db2.gz DQADOBWPCNQWPS-GOSISDBHSA-N 1 2 307.328 2.648 50 0 DFAALO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccccc21)c1cccs1 ZINC000023200215 425798099 /nfs/dbraw/zinc/79/80/99/425798099.db2.gz 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ZINC000013324766 425751562 /nfs/dbraw/zinc/75/15/62/425751562.db2.gz LOQARZOFDGXGBA-UHFFFAOYSA-N 1 2 310.401 2.740 50 0 DFAALO Cc1noc(C)c1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000027416268 425816305 /nfs/dbraw/zinc/81/63/05/425816305.db2.gz PGSCNQIQIPBTNA-OAHLLOKOSA-N 1 2 310.357 2.544 50 0 DFAALO Cc1ccc([C@@H](CNC(=O)CC(C)C)[NH+]2CCOCC2)cc1 ZINC000027580296 425816931 /nfs/dbraw/zinc/81/69/31/425816931.db2.gz DWGJSNMGKLXHLN-QGZVFWFLSA-N 1 2 304.434 2.531 50 0 DFAALO CCc1nc(C[NH+]2CCN(c3ccc(O)cc3)CC2)cs1 ZINC000029804007 425828492 /nfs/dbraw/zinc/82/84/92/425828492.db2.gz JQMGZQWSAVRQNN-UHFFFAOYSA-N 1 2 303.431 2.733 50 0 DFAALO C[N@H+](Cc1ccc(Br)o1)[C@@H](C(N)=O)c1ccccc1 ZINC000030217324 425830205 /nfs/dbraw/zinc/83/02/05/425830205.db2.gz MLVJCYDKFMRQBB-CYBMUJFWSA-N 1 2 323.190 2.701 50 0 DFAALO C[N@@H+](Cc1ccc(Br)o1)[C@@H](C(N)=O)c1ccccc1 ZINC000030217324 425830207 /nfs/dbraw/zinc/83/02/07/425830207.db2.gz MLVJCYDKFMRQBB-CYBMUJFWSA-N 1 2 323.190 2.701 50 0 DFAALO COc1ncccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046468138 425865369 /nfs/dbraw/zinc/86/53/69/425865369.db2.gz IKPNWDVANSZMNR-ZDUSSCGKSA-N 1 2 317.393 2.523 50 0 DFAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nnc(C)o2)c(OC)c1 ZINC000032751533 425839775 /nfs/dbraw/zinc/83/97/75/425839775.db2.gz JEIRKERGNYKBDM-CQSZACIVSA-N 1 2 303.362 2.732 50 0 DFAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nnc(C)o2)c(OC)c1 ZINC000032751533 425839776 /nfs/dbraw/zinc/83/97/76/425839776.db2.gz JEIRKERGNYKBDM-CQSZACIVSA-N 1 2 303.362 2.732 50 0 DFAALO CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000032837434 425840129 /nfs/dbraw/zinc/84/01/29/425840129.db2.gz NRUKWUDYGNHPCJ-AWEZNQCLSA-N 1 2 304.369 2.748 50 0 DFAALO CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684618 425842575 /nfs/dbraw/zinc/84/25/75/425842575.db2.gz QEKHBEHRULDNPN-AWEZNQCLSA-N 1 2 323.868 2.623 50 0 DFAALO C[NH+]1CCN(C(=O)c2cncc(-c3ccccc3Cl)c2)CC1 ZINC000036346916 425845526 /nfs/dbraw/zinc/84/55/26/425845526.db2.gz FTXJDVFJJPFAKM-UHFFFAOYSA-N 1 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302.403 2.642 50 0 DFAALO Cc1noc(C2C[NH+](Cc3ccccc3OC(F)(F)F)C2)n1 ZINC000049482543 425879657 /nfs/dbraw/zinc/87/96/57/425879657.db2.gz DLOLVFYNZFTSPG-UHFFFAOYSA-N 1 2 313.279 2.876 50 0 DFAALO CCOC1CC[NH+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 ZINC000071821793 425991817 /nfs/dbraw/zinc/99/18/17/425991817.db2.gz YQICUILMTKATDA-UHFFFAOYSA-N 1 2 321.808 2.577 50 0 DFAALO O=C([C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000071824361 425992690 /nfs/dbraw/zinc/99/26/90/425992690.db2.gz JHXDHIPMAZNRED-MOPGFXCFSA-N 1 2 321.424 2.530 50 0 DFAALO O=C([C@H]1C[C@H]1c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000071824419 425992759 /nfs/dbraw/zinc/99/27/59/425992759.db2.gz YXZPZQVXOPRJSD-OALUTQOASA-N 1 2 321.424 2.530 50 0 DFAALO O=C([C@H]1C[C@@H]1c1ccco1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000071835156 425993429 /nfs/dbraw/zinc/99/34/29/425993429.db2.gz HYUAKDDLKGPSPK-GJZGRUSLSA-N 1 2 316.426 2.789 50 0 DFAALO C[C@@H](C(=O)Nc1cc(CC2CCCCC2)[nH]n1)n1cc[nH+]c1 ZINC000071856787 425995440 /nfs/dbraw/zinc/99/54/40/425995440.db2.gz ZCFMAOUTYYSFQM-LBPRGKRZSA-N 1 2 301.394 2.929 50 0 DFAALO CCCCc1nc(C[N@@H+]2CCC[C@@H]2Cn2cc(C)cn2)no1 ZINC000071875983 425997414 /nfs/dbraw/zinc/99/74/14/425997414.db2.gz VPIFDKBJLGUQFW-CQSZACIVSA-N 1 2 303.410 2.582 50 0 DFAALO CCCCc1nc(C[N@H+]2CCC[C@@H]2Cn2cc(C)cn2)no1 ZINC000071875983 425997417 /nfs/dbraw/zinc/99/74/17/425997417.db2.gz VPIFDKBJLGUQFW-CQSZACIVSA-N 1 2 303.410 2.582 50 0 DFAALO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc3n[nH]cc32)C1 ZINC000071870727 425997997 /nfs/dbraw/zinc/99/79/97/425997997.db2.gz QJBZHCLEWZIDCC-CYBMUJFWSA-N 1 2 323.400 2.799 50 0 DFAALO C[C@@H]1SCC[N@H+](Cc2nnnn2C2CC2)[C@H]1c1ccccc1 ZINC000071911185 426003037 /nfs/dbraw/zinc/00/30/37/426003037.db2.gz ROWPSYLABAHKFJ-BLLLJJGKSA-N 1 2 315.446 2.687 50 0 DFAALO C[C@@H]1SCC[N@@H+](Cc2nnnn2C2CC2)[C@H]1c1ccccc1 ZINC000071911185 426003039 /nfs/dbraw/zinc/00/30/39/426003039.db2.gz ROWPSYLABAHKFJ-BLLLJJGKSA-N 1 2 315.446 2.687 50 0 DFAALO Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000071910401 426003107 /nfs/dbraw/zinc/00/31/07/426003107.db2.gz ZFXSNHKDWPSASP-LBPRGKRZSA-N 1 2 323.400 2.714 50 0 DFAALO Cc1cccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c1C ZINC000071909186 426003122 /nfs/dbraw/zinc/00/31/22/426003122.db2.gz SPJRZZKHHBQWBK-DZGCQCFKSA-N 1 2 300.406 2.949 50 0 DFAALO O=C(C[N@@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccco1 ZINC000071909060 426003242 /nfs/dbraw/zinc/00/32/42/426003242.db2.gz MTDJKSVCJSOPGV-MRXNPFEDSA-N 1 2 316.426 2.686 50 0 DFAALO O=C(C[N@H+]1CCSC[C@@H]1c1ccccc1)NCc1ccco1 ZINC000071909060 426003243 /nfs/dbraw/zinc/00/32/43/426003243.db2.gz MTDJKSVCJSOPGV-MRXNPFEDSA-N 1 2 316.426 2.686 50 0 DFAALO COc1ccccc1CN(Cc1[nH]cc[nH+]1)C[C@H]1CCCO1 ZINC000071908298 426003647 /nfs/dbraw/zinc/00/36/47/426003647.db2.gz GCGNFBFYIMLKNH-OAHLLOKOSA-N 1 2 301.390 2.600 50 0 DFAALO Cc1cc(N[C@@H](CO)Cc2ccccc2)nc(-c2cccnc2)[nH+]1 ZINC000069445142 425940887 /nfs/dbraw/zinc/94/08/87/425940887.db2.gz FGVKRTFNSITBPO-QGZVFWFLSA-N 1 2 320.396 2.863 50 0 DFAALO O[C@@H](C[NH+]1CCN(CCCc2ccccc2)CC1)c1ccccc1 ZINC000069625112 425951026 /nfs/dbraw/zinc/95/10/26/425951026.db2.gz GOAMIEAEVTWORA-NRFANRHFSA-N 1 2 324.468 2.970 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl ZINC000069630645 425951095 /nfs/dbraw/zinc/95/10/95/425951095.db2.gz FGFPOBPPQGNHSL-KYOSRNDESA-N 1 2 318.808 2.780 50 0 DFAALO Cc1[nH+]c(C(C)(C)C)nc(N2CCC[C@@H](n3cncn3)C2)c1C ZINC000069697572 425952947 /nfs/dbraw/zinc/95/29/47/425952947.db2.gz UICJAZKJNKQASK-CQSZACIVSA-N 1 2 314.437 2.824 50 0 DFAALO Cc1cc(N)nc(S[C@H](C)C(=O)N(C)C2CCCCC2)[nH+]1 ZINC000069808271 425958543 /nfs/dbraw/zinc/95/85/43/425958543.db2.gz BHBNJXGWMQZMHU-LLVKDONJSA-N 1 2 308.451 2.639 50 0 DFAALO CCC[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3[nH+]2)c1 ZINC000069810886 425959100 /nfs/dbraw/zinc/95/91/00/425959100.db2.gz ZYMZGNZJTGAJBU-CYBMUJFWSA-N 1 2 311.389 2.954 50 0 DFAALO O=C(COc1ccccc1Cl)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917671 425962680 /nfs/dbraw/zinc/96/26/80/425962680.db2.gz IQZQJJOPKPYXCH-CYBMUJFWSA-N 1 2 319.792 2.779 50 0 DFAALO O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069918113 425962885 /nfs/dbraw/zinc/96/28/85/425962885.db2.gz XUKDQYVONGPBKJ-AWEZNQCLSA-N 1 2 312.348 2.981 50 0 DFAALO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)c3nc(C(C)C)no3)C2)n1 ZINC000106827933 425975449 /nfs/dbraw/zinc/97/54/49/425975449.db2.gz YHBIWPGYZIMJGU-PWSUYJOCSA-N 1 2 305.382 2.825 50 0 DFAALO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3nc(C(C)C)no3)C2)n1 ZINC000106827933 425975452 /nfs/dbraw/zinc/97/54/52/425975452.db2.gz YHBIWPGYZIMJGU-PWSUYJOCSA-N 1 2 305.382 2.825 50 0 DFAALO Cc1cc(N)nc(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)[nH+]1 ZINC000074341188 426046018 /nfs/dbraw/zinc/04/60/18/426046018.db2.gz HRXBBLCURJAPEA-OCCSQVGLSA-N 1 2 322.478 2.885 50 0 DFAALO CC(C)Cn1cc[nH+]c1CNC(=O)NC(C)(C)c1nccs1 ZINC000074535672 426052863 /nfs/dbraw/zinc/05/28/63/426052863.db2.gz NAKDDOBFHRIKSW-UHFFFAOYSA-N 1 2 321.450 2.730 50 0 DFAALO COC(=O)c1cccc(C[NH2+]C2(c3noc(C)n3)CCCC2)c1 ZINC000075126497 426064099 /nfs/dbraw/zinc/06/40/99/426064099.db2.gz STWDDEDUGYCHCK-UHFFFAOYSA-N 1 2 315.373 2.724 50 0 DFAALO O=C(CCCn1cc[nH+]c1)Nc1cc(-c2cccs2)[nH]n1 ZINC000075141973 426064951 /nfs/dbraw/zinc/06/49/51/426064951.db2.gz ZGRAHXLHELYDRX-UHFFFAOYSA-N 1 2 301.375 2.754 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)C[C@H]1CCc3ccccc31)C2 ZINC000072285653 426011625 /nfs/dbraw/zinc/01/16/25/426011625.db2.gz UWLRVBAMDOXQCY-HZPDHXFCSA-N 1 2 309.413 2.743 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CSc3ccccc31)C2 ZINC000072287785 426012649 /nfs/dbraw/zinc/01/26/49/426012649.db2.gz RVUQJNGQMPYWDU-JSGCOSHPSA-N 1 2 313.426 2.512 50 0 DFAALO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCOCC(F)(F)F ZINC000072291851 426013051 /nfs/dbraw/zinc/01/30/51/426013051.db2.gz NMOAEWAZXFQVNK-LBPRGKRZSA-N 1 2 320.359 2.650 50 0 DFAALO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCOCC(F)(F)F ZINC000072291851 426013054 /nfs/dbraw/zinc/01/30/54/426013054.db2.gz NMOAEWAZXFQVNK-LBPRGKRZSA-N 1 2 320.359 2.650 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)CCc1cc(Cl)cs1)C2 ZINC000072290541 426013314 /nfs/dbraw/zinc/01/33/14/426013314.db2.gz GTDXDWBWNUEPSD-GFCCVEGCSA-N 1 2 323.849 2.970 50 0 DFAALO C(c1nnc(C2CC2)o1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299987 426014461 /nfs/dbraw/zinc/01/44/61/426014461.db2.gz NVFFDDRJTODYAF-LBPRGKRZSA-N 1 2 315.377 2.587 50 0 DFAALO C(c1nnc(C2CC2)o1)[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000072299987 426014464 /nfs/dbraw/zinc/01/44/64/426014464.db2.gz NVFFDDRJTODYAF-LBPRGKRZSA-N 1 2 315.377 2.587 50 0 DFAALO COc1cc(COC(=O)c2cccc(-n3cc[nH+]c3)n2)ccc1C ZINC000170594421 426138816 /nfs/dbraw/zinc/13/88/16/426138816.db2.gz GPTPHYUYCYZUSL-UHFFFAOYSA-N 1 2 323.352 2.941 50 0 DFAALO O=c1[nH]c(NCc2ccccc2-n2cc[nH+]c2)nc2ccccc21 ZINC000170604240 426139012 /nfs/dbraw/zinc/13/90/12/426139012.db2.gz QRHBELJLDPVPIV-UHFFFAOYSA-N 1 2 317.352 2.721 50 0 DFAALO CCOCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000075572665 426077060 /nfs/dbraw/zinc/07/70/60/426077060.db2.gz LDMDUXYYIUMXEM-UHFFFAOYSA-N 1 2 304.221 2.547 50 0 DFAALO C[C@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000075771457 426082607 /nfs/dbraw/zinc/08/26/07/426082607.db2.gz ARJFZENEVLYQHO-YOEHRIQHSA-N 1 2 309.413 2.535 50 0 DFAALO Cc1nc(CN(CC[NH+]2CCOCC2)c2ccccc2)cs1 ZINC000170652565 426142734 /nfs/dbraw/zinc/14/27/34/426142734.db2.gz IEVOXMDGIAFRBN-UHFFFAOYSA-N 1 2 317.458 2.790 50 0 DFAALO O=C(C[C@@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000115203113 426157907 /nfs/dbraw/zinc/15/79/07/426157907.db2.gz ISQRLIABFSINPG-KRWDZBQOSA-N 1 2 321.424 2.850 50 0 DFAALO CC(C)c1cc(NC[C@@H]2CCS(=O)(=O)C2)nc(C(C)C)[nH+]1 ZINC000089893317 426316704 /nfs/dbraw/zinc/31/67/04/426316704.db2.gz LSHFOTNEFCNXIQ-LBPRGKRZSA-N 1 2 311.451 2.570 50 0 DFAALO COc1cc(C(=O)Nc2ccc(C)[nH+]c2C)cc(OC)c1OC ZINC000119392248 426285730 /nfs/dbraw/zinc/28/57/30/426285730.db2.gz AMRLBZADUNHQQJ-UHFFFAOYSA-N 1 2 316.357 2.977 50 0 DFAALO O=C(CC1(n2cccc2)CCCCC1)NCCc1c[nH+]c[nH]1 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OC[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3Cl)no2)C1 ZINC000012298288 542421304 /nfs/dbraw/zinc/42/13/04/542421304.db2.gz IDURMONQMFKYQB-LBPRGKRZSA-N 1 2 321.808 2.518 50 0 DFAALO CCn1cc(C[N@H+](C)CC(=O)Nc2ccc(C)c(C)c2)cn1 ZINC000014187585 542423554 /nfs/dbraw/zinc/42/35/54/542423554.db2.gz BNMCYXCOEAJQNS-UHFFFAOYSA-N 1 2 300.406 2.590 50 0 DFAALO CCn1cc(C[N@@H+](C)CC(=O)Nc2ccc(C)c(C)c2)cn1 ZINC000014187585 542423557 /nfs/dbraw/zinc/42/35/57/542423557.db2.gz BNMCYXCOEAJQNS-UHFFFAOYSA-N 1 2 300.406 2.590 50 0 DFAALO CC[NH+](CC)CCCn1c(=O)c2cc(F)ccc2[nH]c1=S ZINC000020645225 542425944 /nfs/dbraw/zinc/42/59/44/542425944.db2.gz KAPDUHXSTRZKTM-UHFFFAOYSA-N 1 2 309.410 2.556 50 0 DFAALO CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055082772 542453804 /nfs/dbraw/zinc/45/38/04/542453804.db2.gz KHWBIYWUKRVELN-JXMROGBWSA-N 1 2 301.434 2.827 50 0 DFAALO C[C@H]1C[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C(=O)O1 ZINC000078300880 542479993 /nfs/dbraw/zinc/47/99/93/542479993.db2.gz JWIAUSXAYQHTFD-FZMZJTMJSA-N 1 2 300.358 2.711 50 0 DFAALO CCc1ccc(CN(C)c2cc([C@H]3CCOC3)[nH+]c(C)n2)nc1 ZINC000426719903 257243496 /nfs/dbraw/zinc/24/34/96/257243496.db2.gz LVQGYLAXXFILPO-HNNXBMFYSA-N 1 2 312.417 2.883 50 0 DFAALO O=C(NCCc1[nH]cc[nH+]1)c1ccc2cccc(Cl)c2n1 ZINC000426693670 257244437 /nfs/dbraw/zinc/24/44/37/257244437.db2.gz FUFSYWZYIPDXKL-UHFFFAOYSA-N 1 2 300.749 2.584 50 0 DFAALO CC[C@@H](NC(=O)c1nc2ccc(C)cn2c1F)c1[nH]cc(C)[nH+]1 ZINC000426668972 257244626 /nfs/dbraw/zinc/24/46/26/257244626.db2.gz IRWKWIAZZBXFMK-LLVKDONJSA-N 1 2 315.352 2.694 50 0 DFAALO Cc1nc(N(C)CCC2CCOCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426613040 257244988 /nfs/dbraw/zinc/24/49/88/257244988.db2.gz ZLPZIVKKHLJPBK-OAHLLOKOSA-N 1 2 305.422 2.542 50 0 DFAALO CC1(C)C[C@@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000426470833 257249036 /nfs/dbraw/zinc/24/90/36/257249036.db2.gz RLLCMUORDYBYOH-MRXNPFEDSA-N 1 2 312.417 2.743 50 0 DFAALO CC1(C)C[C@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1cccnc1 ZINC000426470827 257249420 /nfs/dbraw/zinc/24/94/20/257249420.db2.gz RLLCMUORDYBYOH-INIZCTEOSA-N 1 2 312.417 2.743 50 0 DFAALO CCc1[nH+]c2ccccc2n1CCC(=O)N[C@H](CO)CC(C)C ZINC000426429085 257250186 /nfs/dbraw/zinc/25/01/86/257250186.db2.gz QWANSRFNLXWOQU-AWEZNQCLSA-N 1 2 317.433 2.512 50 0 DFAALO FC(F)(F)c1cnc([C@H]2CCC[N@H+](Cc3cncnc3)C2)[nH]1 ZINC000278819505 257256577 /nfs/dbraw/zinc/25/65/77/257256577.db2.gz ZGHKVLPJYCIQGM-NSHDSACASA-N 1 2 311.311 2.598 50 0 DFAALO FC(F)(F)c1cnc([C@H]2CCC[N@@H+](Cc3cncnc3)C2)[nH]1 ZINC000278819505 257256578 /nfs/dbraw/zinc/25/65/78/257256578.db2.gz ZGHKVLPJYCIQGM-NSHDSACASA-N 1 2 311.311 2.598 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000328618362 257264217 /nfs/dbraw/zinc/26/42/17/257264217.db2.gz DRFDRFLAYGEJMB-MIGQKNRLSA-N 1 2 323.437 2.735 50 0 DFAALO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC000328618362 257264219 /nfs/dbraw/zinc/26/42/19/257264219.db2.gz DRFDRFLAYGEJMB-MIGQKNRLSA-N 1 2 323.437 2.735 50 0 DFAALO [NH2+]=c1n(CCO)c2ccccc2n1Cc1ccccc1Cl ZINC000019805362 257268936 /nfs/dbraw/zinc/26/89/36/257268936.db2.gz STBXFLJJXKRCBJ-UHFFFAOYSA-N 1 2 301.777 2.616 50 0 DFAALO Cc1nnc([C@H](C)Nc2nccc(-c3ccc(C)[nH+]c3C)n2)[nH]1 ZINC000071763046 257270585 /nfs/dbraw/zinc/27/05/85/257270585.db2.gz UKUWVGCEEUDHIP-NSHDSACASA-N 1 2 309.377 2.755 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000091531761 542542015 /nfs/dbraw/zinc/54/20/15/542542015.db2.gz CDIYBKBJRDATLJ-HKUYNNGSSA-N 1 2 324.428 2.994 50 0 DFAALO Cc1ccc(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cc1F ZINC000188412289 542824272 /nfs/dbraw/zinc/82/42/72/542824272.db2.gz FQPMYLUQMGKSCB-MRXNPFEDSA-N 1 2 306.381 2.716 50 0 DFAALO Cc1ccc(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cc1F ZINC000188412289 542824274 /nfs/dbraw/zinc/82/42/74/542824274.db2.gz FQPMYLUQMGKSCB-MRXNPFEDSA-N 1 2 306.381 2.716 50 0 DFAALO Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000007716986 134484924 /nfs/dbraw/zinc/48/49/24/134484924.db2.gz JPICLMIDLLZVJA-UHFFFAOYSA-N 1 2 320.437 2.966 50 0 DFAALO CCCn1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC000215875817 542874192 /nfs/dbraw/zinc/87/41/92/542874192.db2.gz WXDKHMWFTWCAAH-OAHLLOKOSA-N 1 2 317.437 2.643 50 0 DFAALO CCCc1cc(C[N@H+](C)Cc2cnc(-c3ccccn3)nc2)[nH]n1 ZINC000216020298 542874889 /nfs/dbraw/zinc/87/48/89/542874889.db2.gz ZFTPXZQQGKEMHY-UHFFFAOYSA-N 1 2 322.416 2.846 50 0 DFAALO CCCc1cc(C[N@@H+](C)Cc2cnc(-c3ccccn3)nc2)[nH]n1 ZINC000216020298 542874893 /nfs/dbraw/zinc/87/48/93/542874893.db2.gz ZFTPXZQQGKEMHY-UHFFFAOYSA-N 1 2 322.416 2.846 50 0 DFAALO CC[C@H](NC(=O)c1cccc(OC)c1OC)c1[nH]cc(C)[nH+]1 ZINC000216021639 542875111 /nfs/dbraw/zinc/87/51/11/542875111.db2.gz WTCXKCJWUVZXLD-LBPRGKRZSA-N 1 2 303.362 2.616 50 0 DFAALO CCC[C@@H](NC(=O)CSc1ccccn1)c1[nH+]ccn1C ZINC000222285501 542883479 /nfs/dbraw/zinc/88/34/79/542883479.db2.gz ORTIVKFHZVQJHJ-GFCCVEGCSA-N 1 2 304.419 2.565 50 0 DFAALO CSCc1ccc(C(=O)N(Cc2[nH+]ccn2C)C2CC2)o1 ZINC000223430359 542885390 /nfs/dbraw/zinc/88/53/90/542885390.db2.gz WQMCMWHJJDFNDF-UHFFFAOYSA-N 1 2 305.403 2.681 50 0 DFAALO COc1ccc(CC[N@H+](C)Cc2nnc(C)s2)cc1OC ZINC000299762830 543043953 /nfs/dbraw/zinc/04/39/53/543043953.db2.gz YTPRIFXFTZEZDL-UHFFFAOYSA-N 1 2 307.419 2.538 50 0 DFAALO COc1ccc(CC[N@@H+](C)Cc2nnc(C)s2)cc1OC ZINC000299762830 543043955 /nfs/dbraw/zinc/04/39/55/543043955.db2.gz YTPRIFXFTZEZDL-UHFFFAOYSA-N 1 2 307.419 2.538 50 0 DFAALO CCC[C@H](NC(=O)CSc1ccncc1)c1[nH+]ccn1C ZINC000299758821 543044023 /nfs/dbraw/zinc/04/40/23/543044023.db2.gz PXJOSLCFASEKEY-ZDUSSCGKSA-N 1 2 304.419 2.565 50 0 DFAALO FC(F)(F)c1ccnc(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000052185369 425884261 /nfs/dbraw/zinc/88/42/61/425884261.db2.gz JPFQUJKMPJTZEC-UHFFFAOYSA-N 1 2 323.322 2.971 50 0 DFAALO Cn1cc(-c2nc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cs2)cn1 ZINC000052442194 425884538 /nfs/dbraw/zinc/88/45/38/425884538.db2.gz VQGNJTNSZIJXOC-LSDHHAIUSA-N 1 2 318.446 2.687 50 0 DFAALO Cn1cc(-c2nc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)cs2)cn1 ZINC000052442194 425884539 /nfs/dbraw/zinc/88/45/39/425884539.db2.gz VQGNJTNSZIJXOC-LSDHHAIUSA-N 1 2 318.446 2.687 50 0 DFAALO NC(=O)C[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCCC1 ZINC000052826402 425885958 /nfs/dbraw/zinc/88/59/58/425885958.db2.gz AUEVOZWCSICAEK-UHFFFAOYSA-N 1 2 317.364 2.711 50 0 DFAALO NC(=O)C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C1CCCC1 ZINC000052826402 425885959 /nfs/dbraw/zinc/88/59/59/425885959.db2.gz AUEVOZWCSICAEK-UHFFFAOYSA-N 1 2 317.364 2.711 50 0 DFAALO CNc1nc(N(C)[C@H](C)c2ccccn2)[nH+]cc1Br ZINC000131970484 196215688 /nfs/dbraw/zinc/21/56/88/196215688.db2.gz NRPXAKORANOWIV-SECBINFHSA-N 1 2 322.210 2.873 50 0 DFAALO Cc1cc2n(n1)CC[N@@H+](CCOc1ccccc1OC(C)C)C2 ZINC000670444256 544041137 /nfs/dbraw/zinc/04/11/37/544041137.db2.gz OGCVUXURGDBWGL-UHFFFAOYSA-N 1 2 315.417 2.873 50 0 DFAALO Cc1cc2n(n1)CC[N@H+](CCOc1ccccc1OC(C)C)C2 ZINC000670444256 544041139 /nfs/dbraw/zinc/04/11/39/544041139.db2.gz OGCVUXURGDBWGL-UHFFFAOYSA-N 1 2 315.417 2.873 50 0 DFAALO C[NH+](C)Cc1nc(C(=O)NCCCc2ccccc2F)cs1 ZINC000670456614 544043396 /nfs/dbraw/zinc/04/33/96/544043396.db2.gz LHPPVZPYXDNMEG-UHFFFAOYSA-N 1 2 321.421 2.706 50 0 DFAALO C[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 ZINC000670466607 544044832 /nfs/dbraw/zinc/04/48/32/544044832.db2.gz OWWZPWZIHWZCBO-LBPRGKRZSA-N 1 2 324.471 2.553 50 0 DFAALO C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 ZINC000670466607 544044833 /nfs/dbraw/zinc/04/48/33/544044833.db2.gz OWWZPWZIHWZCBO-LBPRGKRZSA-N 1 2 324.471 2.553 50 0 DFAALO Cc1nc(C[N@@H+]2CCC[C@H](COc3ccccc3C)C2)no1 ZINC000670473483 544046016 /nfs/dbraw/zinc/04/60/16/544046016.db2.gz ZYVKTCOCPWFSMD-HNNXBMFYSA-N 1 2 301.390 2.977 50 0 DFAALO Cc1nc(C[N@H+]2CCC[C@H](COc3ccccc3C)C2)no1 ZINC000670473483 544046018 /nfs/dbraw/zinc/04/60/18/544046018.db2.gz ZYVKTCOCPWFSMD-HNNXBMFYSA-N 1 2 301.390 2.977 50 0 DFAALO Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000055561953 425894258 /nfs/dbraw/zinc/89/42/58/425894258.db2.gz TUXGLJWCDPNKFA-UHFFFAOYSA-N 1 2 309.413 2.756 50 0 DFAALO COc1cc(CNc2cc(C)[nH+]c(-c3ccncc3)n2)ccn1 ZINC000057826149 425896962 /nfs/dbraw/zinc/89/69/62/425896962.db2.gz ZWGYMDGMGRVVIO-UHFFFAOYSA-N 1 2 307.357 2.863 50 0 DFAALO C[C@H]1c2ccsc2CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000065487665 425902982 /nfs/dbraw/zinc/90/29/82/425902982.db2.gz LSNVJLLKEIIVMP-NSHDSACASA-N 1 2 300.431 2.650 50 0 DFAALO C[C@H]1c2ccsc2CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000065487665 425902983 /nfs/dbraw/zinc/90/29/83/425902983.db2.gz LSNVJLLKEIIVMP-NSHDSACASA-N 1 2 300.431 2.650 50 0 DFAALO CC(=O)c1[nH]c(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)c1C ZINC000067561382 425911334 /nfs/dbraw/zinc/91/13/34/425911334.db2.gz NPQUBBNOZFTSSW-CQSZACIVSA-N 1 2 316.405 2.695 50 0 DFAALO COc1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1C ZINC000067650087 425911956 /nfs/dbraw/zinc/91/19/56/425911956.db2.gz UESIXHUVQVNKHZ-UHFFFAOYSA-N 1 2 311.429 2.813 50 0 DFAALO COc1cc(-c2nc(Cn3cc[nH+]c3)c(C)o2)cc2c1OCO2 ZINC000067675150 425912171 /nfs/dbraw/zinc/91/21/71/425912171.db2.gz XILSCFXHINCSEV-UHFFFAOYSA-N 1 2 313.313 2.632 50 0 DFAALO Cn1cc[nH+]c1CSc1nnc(Cc2cccc(F)c2)o1 ZINC000067753724 425913082 /nfs/dbraw/zinc/91/30/82/425913082.db2.gz ADIPGEKJTRZEEQ-UHFFFAOYSA-N 1 2 304.350 2.825 50 0 DFAALO Cn1c2ccccc2nc1-c1nccn1CCCn1cc[nH+]c1 ZINC000067871964 425914302 /nfs/dbraw/zinc/91/43/02/425914302.db2.gz OUIMZYVQMQQMGO-UHFFFAOYSA-N 1 2 306.373 2.724 50 0 DFAALO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898798 425914450 /nfs/dbraw/zinc/91/44/50/425914450.db2.gz IHLCMXRFRYAJFW-KRWDZBQOSA-N 1 2 313.401 2.869 50 0 biogenic,in-vitro DFAALO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898798 425914451 /nfs/dbraw/zinc/91/44/51/425914451.db2.gz IHLCMXRFRYAJFW-KRWDZBQOSA-N 1 2 313.401 2.869 50 0 biogenic,in-vitro DFAALO Nc1cc(N2CCC[C@H](c3n[nH]cc3-c3ccccc3)C2)[nH+]cn1 ZINC000067833610 425913703 /nfs/dbraw/zinc/91/37/03/425913703.db2.gz OISLDFZLTXDVGS-AWEZNQCLSA-N 1 2 320.400 2.833 50 0 DFAALO Cc1cccc2nc(C(=O)Nc3c[nH+]c4n3CCCC4)c(F)n21 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c1ccc(-c2nc(N3CCOCC3)cc(N3CCCC3)[nH+]2)cc1 ZINC000001398526 425579394 /nfs/dbraw/zinc/57/93/94/425579394.db2.gz LTTRJKSURXKSCB-UHFFFAOYSA-N 1 2 310.401 2.580 50 0 DFAALO c1ccc(-c2nc(N3CCCC3)cc(N3CCOCC3)[nH+]2)cc1 ZINC000001398526 425579396 /nfs/dbraw/zinc/57/93/96/425579396.db2.gz LTTRJKSURXKSCB-UHFFFAOYSA-N 1 2 310.401 2.580 50 0 DFAALO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)o1 ZINC000007696526 425649457 /nfs/dbraw/zinc/64/94/57/425649457.db2.gz VUXLMKMWBQAASC-UHFFFAOYSA-N 1 2 316.405 2.970 50 0 DFAALO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)o1 ZINC000007696526 425649460 /nfs/dbraw/zinc/64/94/60/425649460.db2.gz VUXLMKMWBQAASC-UHFFFAOYSA-N 1 2 316.405 2.970 50 0 DFAALO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000007782847 425651934 /nfs/dbraw/zinc/65/19/34/425651934.db2.gz SHMJSAHHYOIBTF-UHFFFAOYSA-N 1 2 323.396 2.642 50 0 DFAALO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000007782847 425651938 /nfs/dbraw/zinc/65/19/38/425651938.db2.gz SHMJSAHHYOIBTF-UHFFFAOYSA-N 1 2 323.396 2.642 50 0 DFAALO O=C(COc1ccc(Cl)cc1)NCc1cn2ccccc2[nH+]1 ZINC000007798880 425652823 /nfs/dbraw/zinc/65/28/23/425652823.db2.gz SOAUBDJOXNJNQY-UHFFFAOYSA-N 1 2 315.760 2.683 50 0 DFAALO CC[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(OC)c(F)c1 ZINC000008214233 425663190 /nfs/dbraw/zinc/66/31/90/425663190.db2.gz UKJGGKIPNDAJHI-UHFFFAOYSA-N 1 2 321.352 2.591 50 0 DFAALO CC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccc(OC)c(F)c1 ZINC000008214233 425663194 /nfs/dbraw/zinc/66/31/94/425663194.db2.gz UKJGGKIPNDAJHI-UHFFFAOYSA-N 1 2 321.352 2.591 50 0 DFAALO COC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000008583038 425670594 /nfs/dbraw/zinc/67/05/94/425670594.db2.gz VQXIJGZLCZHHII-JTQLQIEISA-N 1 2 317.780 2.916 50 0 DFAALO O=C(Nc1ccc(F)cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000008774410 425675482 /nfs/dbraw/zinc/67/54/82/425675482.db2.gz DMTBYROBKGSBRF-UHFFFAOYSA-N 1 2 303.337 2.768 50 0 DFAALO CC[C@H](C(=O)Nc1ccccc1)[NH+]1CCN(c2ccccn2)CC1 ZINC000008762828 425675831 /nfs/dbraw/zinc/67/58/31/425675831.db2.gz LZYPZPWKRGXFFH-QGZVFWFLSA-N 1 2 324.428 2.621 50 0 DFAALO Cc1[nH+]c2ccccc2n1CC(=O)OCC(=O)c1ccccc1 ZINC000012659129 425734476 /nfs/dbraw/zinc/73/44/76/425734476.db2.gz ZAPPPKGFGYUKDF-UHFFFAOYSA-N 1 2 308.337 2.771 50 0 DFAALO COc1ccc([C@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)cc1 ZINC000009157092 425682717 /nfs/dbraw/zinc/68/27/17/425682717.db2.gz IMNMOIAWDMQMGH-INIZCTEOSA-N 1 2 313.401 2.825 50 0 DFAALO CCCCn1c(C[N@H+](C)CCCC)cnc1S(=O)(=O)CC ZINC000011818909 425714353 /nfs/dbraw/zinc/71/43/53/425714353.db2.gz CJFWLZPSDSWQBN-UHFFFAOYSA-N 1 2 315.483 2.709 50 0 DFAALO CCCCn1c(C[N@@H+](C)CCCC)cnc1S(=O)(=O)CC ZINC000011818909 425714357 /nfs/dbraw/zinc/71/43/57/425714357.db2.gz CJFWLZPSDSWQBN-UHFFFAOYSA-N 1 2 315.483 2.709 50 0 DFAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(OC)nc1 ZINC000012541021 425731518 /nfs/dbraw/zinc/73/15/18/425731518.db2.gz NYYSGYMOHCZDHA-UHFFFAOYSA-N 1 2 310.357 2.641 50 0 DFAALO CN(c1[nH+]cccc1CNC(=O)[C@@H]1CCOC1)C1CCCCC1 ZINC000015075036 425778831 /nfs/dbraw/zinc/77/88/31/425778831.db2.gz SFRYWUDNGARXGX-OAHLLOKOSA-N 1 2 317.433 2.503 50 0 DFAALO CC[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000018254704 425790063 /nfs/dbraw/zinc/79/00/63/425790063.db2.gz YDQXKUIJRYVUKA-KRWDZBQOSA-N 1 2 309.413 2.924 50 0 DFAALO COCCc1n[nH]c2c1C[N@H+](Cc1ccc(C)c(F)c1)CC2 ZINC000020541464 425792223 /nfs/dbraw/zinc/79/22/23/425792223.db2.gz SYIRQHHIKHMRPM-UHFFFAOYSA-N 1 2 303.381 2.604 50 0 DFAALO COCCc1n[nH]c2c1C[N@@H+](Cc1ccc(C)c(F)c1)CC2 ZINC000020541464 425792227 /nfs/dbraw/zinc/79/22/27/425792227.db2.gz SYIRQHHIKHMRPM-UHFFFAOYSA-N 1 2 303.381 2.604 50 0 DFAALO COCCc1[nH]nc2c1C[N@H+](Cc1ccc(C)c(F)c1)CC2 ZINC000020541464 425792229 /nfs/dbraw/zinc/79/22/29/425792229.db2.gz SYIRQHHIKHMRPM-UHFFFAOYSA-N 1 2 303.381 2.604 50 0 DFAALO COCCc1[nH]nc2c1C[N@@H+](Cc1ccc(C)c(F)c1)CC2 ZINC000020541464 425792231 /nfs/dbraw/zinc/79/22/31/425792231.db2.gz SYIRQHHIKHMRPM-UHFFFAOYSA-N 1 2 303.381 2.604 50 0 DFAALO c1ccc2c(c1)ncnc2Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000024061171 425798580 /nfs/dbraw/zinc/79/85/80/425798580.db2.gz NQUGMHHIWPVKNJ-UHFFFAOYSA-N 1 2 307.357 2.605 50 0 DFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1ccccc1 ZINC000025094069 425801568 /nfs/dbraw/zinc/80/15/68/425801568.db2.gz YUGUYYQJJOLUTQ-UHFFFAOYSA-N 1 2 308.385 2.844 50 0 DFAALO O=C(NCCc1cn2ccccc2[nH+]1)c1ccc(F)cc1F ZINC000025524543 425805291 /nfs/dbraw/zinc/80/52/91/425805291.db2.gz OLGOIBPIIFJQOA-UHFFFAOYSA-N 1 2 301.296 2.585 50 0 DFAALO Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000013692569 425758385 /nfs/dbraw/zinc/75/83/85/425758385.db2.gz OSEFCQVURKPVJQ-UHFFFAOYSA-N 1 2 312.398 2.814 50 0 DFAALO Cc1nc(-c2ccccc2)sc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000013692569 425758388 /nfs/dbraw/zinc/75/83/88/425758388.db2.gz OSEFCQVURKPVJQ-UHFFFAOYSA-N 1 2 312.398 2.814 50 0 DFAALO O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000044896686 425858497 /nfs/dbraw/zinc/85/84/97/425858497.db2.gz DISHFLXPGWFXBM-HNNXBMFYSA-N 1 2 320.352 2.521 50 0 DFAALO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCc2sccc2C1 ZINC000044896777 425858640 /nfs/dbraw/zinc/85/86/40/425858640.db2.gz GAXKRLHNVQBCEI-UHFFFAOYSA-N 1 2 310.382 2.527 50 0 DFAALO CCCCc1noc([C@H](C)[NH+]2CCC(NC(=O)C(C)C)CC2)n1 ZINC000044948937 425858734 /nfs/dbraw/zinc/85/87/34/425858734.db2.gz XDAKCOHWJXVPKD-ZDUSSCGKSA-N 1 2 322.453 2.710 50 0 DFAALO Cc1nc(C[NH2+]Cc2ccc3c(c2)OCCO3)c2ccccn12 ZINC000044917843 425858967 /nfs/dbraw/zinc/85/89/67/425858967.db2.gz ZETPNMVZOYOAIH-UHFFFAOYSA-N 1 2 309.369 2.704 50 0 DFAALO Cc1cc(NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)no1 ZINC000044968669 425859079 /nfs/dbraw/zinc/85/90/79/425859079.db2.gz GZMRJNPGMHRPPW-UHFFFAOYSA-N 1 2 315.377 2.690 50 0 DFAALO CN(C)c1cc(CNC(=O)NCc2ccc(Cl)s2)cc[nH+]1 ZINC000044954655 425859096 /nfs/dbraw/zinc/85/90/96/425859096.db2.gz GLIFWSSLFACMLZ-UHFFFAOYSA-N 1 2 324.837 2.862 50 0 DFAALO Cc1cc(C[NH+]2CCN(c3nccc4sccc43)CC2)on1 ZINC000044972888 425859491 /nfs/dbraw/zinc/85/94/91/425859491.db2.gz XNUWVOHNPCUHSG-UHFFFAOYSA-N 1 2 314.414 2.915 50 0 DFAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1 ZINC000027415269 425815580 /nfs/dbraw/zinc/81/55/80/425815580.db2.gz YLDWDQHAUBCQFC-OAGJVSPASA-N 1 2 307.353 2.932 50 0 DFAALO Nc1nc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)nc2ccccc12 ZINC000027350584 425815838 /nfs/dbraw/zinc/81/58/38/425815838.db2.gz UZSNKVSNAKVVGN-SNVBAGLBSA-N 1 2 310.323 2.986 50 0 DFAALO Nc1nc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)nc2ccccc12 ZINC000027350584 425815841 /nfs/dbraw/zinc/81/58/41/425815841.db2.gz UZSNKVSNAKVVGN-SNVBAGLBSA-N 1 2 310.323 2.986 50 0 DFAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(C)no2)c1 ZINC000027279842 425816309 /nfs/dbraw/zinc/81/63/09/425816309.db2.gz QUXYMOAHISFBIS-AWEZNQCLSA-N 1 2 303.362 2.732 50 0 DFAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(C)no2)c1 ZINC000027279842 425816311 /nfs/dbraw/zinc/81/63/11/425816311.db2.gz QUXYMOAHISFBIS-AWEZNQCLSA-N 1 2 303.362 2.732 50 0 DFAALO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c1 ZINC000028290955 425821116 /nfs/dbraw/zinc/82/11/16/425821116.db2.gz PZGBXOXTPKFJQF-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO COc1ccc(-c2nc(C[N@@H+]3C[C@H](C)OC[C@@H]3C)co2)cc1 ZINC000028984904 425823622 /nfs/dbraw/zinc/82/36/22/425823622.db2.gz OBINZOQGOXLRIS-STQMWFEESA-N 1 2 302.374 2.959 50 0 DFAALO COc1ccc(-c2nc(C[N@H+]3C[C@H](C)OC[C@@H]3C)co2)cc1 ZINC000028984904 425823624 /nfs/dbraw/zinc/82/36/24/425823624.db2.gz OBINZOQGOXLRIS-STQMWFEESA-N 1 2 302.374 2.959 50 0 DFAALO Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000029084937 425824207 /nfs/dbraw/zinc/82/42/07/425824207.db2.gz MTRKGNOMDPGLRX-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO Cc1cccnc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469290 425865316 /nfs/dbraw/zinc/86/53/16/425865316.db2.gz LZLUISSGZSIBOB-ZDUSSCGKSA-N 1 2 301.394 2.823 50 0 DFAALO COc1ccc([C@@H](Nc2[nH+]cnc3c2cnn3C)C2CC2)cc1 ZINC000030767838 425832629 /nfs/dbraw/zinc/83/26/29/425832629.db2.gz IZENCOFIPNRUHS-HNNXBMFYSA-N 1 2 309.373 2.935 50 0 DFAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000032777588 425839604 /nfs/dbraw/zinc/83/96/04/425839604.db2.gz NHFVAQCNHGHLHK-UHFFFAOYSA-N 1 2 312.760 2.851 50 0 DFAALO O=c1c(Cl)c(Cl)cnn1C[N@H+](C1CC1)C1CCCC1 ZINC000032823921 425839895 /nfs/dbraw/zinc/83/98/95/425839895.db2.gz YBZYKCVWRGTDIT-UHFFFAOYSA-N 1 2 302.205 2.915 50 0 DFAALO O=c1c(Cl)c(Cl)cnn1C[N@@H+](C1CC1)C1CCCC1 ZINC000032823921 425839896 /nfs/dbraw/zinc/83/98/96/425839896.db2.gz YBZYKCVWRGTDIT-UHFFFAOYSA-N 1 2 302.205 2.915 50 0 DFAALO C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC(O)CC1 ZINC000033040068 425841126 /nfs/dbraw/zinc/84/11/26/425841126.db2.gz CYGYBMVTFFRGHX-SECBINFHSA-N 1 2 317.216 2.777 50 0 DFAALO Clc1cccc(Cl)c1OCCOCC[NH+]1CCOCC1 ZINC000035606276 425844635 /nfs/dbraw/zinc/84/46/35/425844635.db2.gz OEZPMPMZIKFSEQ-UHFFFAOYSA-N 1 2 320.216 2.721 50 0 DFAALO Cc1cccc(C(=O)NCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036699899 425846173 /nfs/dbraw/zinc/84/61/73/425846173.db2.gz CBSBHEOUCHXYNJ-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO Cc1cccc(C(=O)NCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036699899 425846174 /nfs/dbraw/zinc/84/61/74/425846174.db2.gz CBSBHEOUCHXYNJ-IBGZPJMESA-N 1 2 324.424 2.798 50 0 DFAALO O=C(NCCCn1cc[nH+]c1)N1CCCc2ccc(F)cc21 ZINC000042895386 425853888 /nfs/dbraw/zinc/85/38/88/425853888.db2.gz WOGPMKMWYNVXQF-UHFFFAOYSA-N 1 2 302.353 2.575 50 0 DFAALO CCOc1cc(C)ccc1NC(=O)NCCCn1cc[nH+]c1 ZINC000047763868 425871627 /nfs/dbraw/zinc/87/16/27/425871627.db2.gz ROXOZEJUMLKBJG-UHFFFAOYSA-N 1 2 302.378 2.802 50 0 DFAALO S=C(NCc1cccs1)NC1=[NH+]N(c2ccccc2)CC1 ZINC000048041814 425872743 /nfs/dbraw/zinc/87/27/43/425872743.db2.gz KZOVZBRIKHBWTB-UHFFFAOYSA-N 1 2 316.455 2.936 50 0 DFAALO CCN(CC)c1ccc(CNC(=O)c2cccc3c[nH]nc32)c[nH+]1 ZINC000048248418 425873825 /nfs/dbraw/zinc/87/38/25/425873825.db2.gz MTGJIQPEESRDNE-UHFFFAOYSA-N 1 2 323.400 2.734 50 0 DFAALO Cc1noc(C)c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000048365296 425874801 /nfs/dbraw/zinc/87/48/01/425874801.db2.gz GQNCKUHYODVVPL-UHFFFAOYSA-N 1 2 312.373 2.755 50 0 DFAALO Cc1ccc(OC2CC[NH+]([C@@H]3C[C@@H](C)OC3=O)CC2)cc1C ZINC000069414199 425938575 /nfs/dbraw/zinc/93/85/75/425938575.db2.gz YYTNAFLVWLWBIH-RHSMWYFYSA-N 1 2 303.402 2.851 50 0 DFAALO CCO[C@H]1C[C@@H](N(C)c2[nH+]cnc3c2cnn3C)C12CCCC2 ZINC000071920906 426005594 /nfs/dbraw/zinc/00/55/94/426005594.db2.gz JRJISUQLNQZRQF-KGLIPLIRSA-N 1 2 315.421 2.537 50 0 DFAALO CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000107050449 425983093 /nfs/dbraw/zinc/98/30/93/425983093.db2.gz PNWFNDPYKBMMKY-HRCADAONSA-N 1 2 318.465 2.904 50 0 DFAALO CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000107050454 425983168 /nfs/dbraw/zinc/98/31/68/425983168.db2.gz PNWFNDPYKBMMKY-ARFHVFGLSA-N 1 2 318.465 2.904 50 0 DFAALO C[C@H]1CCC[C@H]1NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000071856741 425995586 /nfs/dbraw/zinc/99/55/86/425995586.db2.gz GNIUOBBQWBDDOG-DZGCQCFKSA-N 1 2 302.422 2.538 50 0 DFAALO Cc1cnn(C[C@H]2CCCC[N@@H+]2Cc2noc(C3CC3)n2)c1 ZINC000071875374 425998191 /nfs/dbraw/zinc/99/81/91/425998191.db2.gz USDRYYSVKYHPLH-CQSZACIVSA-N 1 2 301.394 2.507 50 0 DFAALO Cc1cnn(C[C@H]2CCCC[N@H+]2Cc2noc(C3CC3)n2)c1 ZINC000071875374 425998194 /nfs/dbraw/zinc/99/81/94/425998194.db2.gz USDRYYSVKYHPLH-CQSZACIVSA-N 1 2 301.394 2.507 50 0 DFAALO CCc1noc([C@H](C)[N@H+](C)Cc2ccc(OC)c(OC)c2)n1 ZINC000069460988 425940817 /nfs/dbraw/zinc/94/08/17/425940817.db2.gz STAIHNBKAHKBBK-NSHDSACASA-N 1 2 305.378 2.842 50 0 DFAALO CCc1noc([C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2)n1 ZINC000069460988 425940821 /nfs/dbraw/zinc/94/08/21/425940821.db2.gz STAIHNBKAHKBBK-NSHDSACASA-N 1 2 305.378 2.842 50 0 DFAALO CCn1ccnc1CN1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000069453176 425940918 /nfs/dbraw/zinc/94/09/18/425940918.db2.gz YVGDWFRIJRZPPK-HNNXBMFYSA-N 1 2 316.424 2.921 50 0 DFAALO Cc1cc(N2CCN(Cc3cscn3)CC2)nc(C(C)C)[nH+]1 ZINC000069463056 425941562 /nfs/dbraw/zinc/94/15/62/425941562.db2.gz DPGZZBSXXGBYDL-UHFFFAOYSA-N 1 2 317.462 2.687 50 0 DFAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)c1ccccc1 ZINC000069561201 425946523 /nfs/dbraw/zinc/94/65/23/425946523.db2.gz CDBRMDJBQBZKRM-GJZGRUSLSA-N 1 2 300.406 2.765 50 0 DFAALO Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3ccc[nH]3)[nH+]c12 ZINC000069568360 425947593 /nfs/dbraw/zinc/94/75/93/425947593.db2.gz ZPRJKKLDQXCGMN-INIZCTEOSA-N 1 2 308.385 2.877 50 0 DFAALO C[C@@H](NC(=O)C[N@@H+]1CCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000103502670 425951675 /nfs/dbraw/zinc/95/16/75/425951675.db2.gz YGFDZIMIYUYXIH-HUUCEWRRSA-N 1 2 312.413 2.738 50 0 DFAALO C[C@@H](NC(=O)C[N@H+]1CCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000103502670 425951677 /nfs/dbraw/zinc/95/16/77/425951677.db2.gz YGFDZIMIYUYXIH-HUUCEWRRSA-N 1 2 312.413 2.738 50 0 DFAALO C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)n1cnc2ccccc21 ZINC000069657202 425952334 /nfs/dbraw/zinc/95/23/34/425952334.db2.gz YONIOEIPGDLAJH-HUUCEWRRSA-N 1 2 323.400 2.658 50 0 DFAALO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000069705592 425954751 /nfs/dbraw/zinc/95/47/51/425954751.db2.gz PMPPLQPPSIQGQN-CQSZACIVSA-N 1 2 314.385 2.807 50 0 DFAALO CN(C)c1[nH+]cccc1NC(=O)C[C@H]1OCCc2ccsc21 ZINC000069742399 425955559 /nfs/dbraw/zinc/95/55/59/425955559.db2.gz ZPVPUGJWWJIVKQ-CYBMUJFWSA-N 1 2 317.414 2.852 50 0 DFAALO Cn1ncc2c1nc[nH+]c2N[C@@H]1CCC[C@@H]1Oc1ccccc1 ZINC000069774957 425956525 /nfs/dbraw/zinc/95/65/25/425956525.db2.gz VBJWDSFAGIOLSM-CABCVRRESA-N 1 2 309.373 2.775 50 0 DFAALO O=C(CCCn1cncn1)Nc1ccccc1Oc1cc[nH+]cc1 ZINC000072281859 426011658 /nfs/dbraw/zinc/01/16/58/426011658.db2.gz FXZNGQDQFLQUPV-UHFFFAOYSA-N 1 2 323.356 2.884 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)Cc1cccs1)C2 ZINC000072295316 426013696 /nfs/dbraw/zinc/01/36/96/426013696.db2.gz LSVMEPPLQYEDPK-WCQYABFASA-N 1 2 303.431 2.563 50 0 DFAALO Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000075605006 426078220 /nfs/dbraw/zinc/07/82/20/426078220.db2.gz SJYROKMNDVKCMC-ZDUSSCGKSA-N 1 2 324.856 2.578 50 0 DFAALO 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C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2ccccc2C1 ZINC000095977286 278313904 /nfs/dbraw/zinc/31/39/04/278313904.db2.gz PKKWUDZNHFOMSD-OAHLLOKOSA-N 1 2 309.413 2.659 50 0 DFAALO Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1coc(C(C)C)n1)CC(=O)NC3 ZINC000065526911 278901898 /nfs/dbraw/zinc/90/18/98/278901898.db2.gz UXKUDRDCJRXSIJ-GFCCVEGCSA-N 1 2 324.384 2.906 50 0 DFAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cnccn1 ZINC000008744745 280029787 /nfs/dbraw/zinc/02/97/87/280029787.db2.gz VJWQIABULQXEMX-UHFFFAOYSA-N 1 2 307.357 2.805 50 0 DFAALO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCN1CCCC1=O ZINC000071897386 300369417 /nfs/dbraw/zinc/36/94/17/300369417.db2.gz INGVWRQLQBZBHW-BBRMVZONSA-N 1 2 322.836 2.724 50 0 DFAALO C[C@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCN1CCCC1=O ZINC000071897386 300369421 /nfs/dbraw/zinc/36/94/21/300369421.db2.gz INGVWRQLQBZBHW-BBRMVZONSA-N 1 2 322.836 2.724 50 0 DFAALO COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1OC ZINC000182967885 316125647 /nfs/dbraw/zinc/12/56/47/316125647.db2.gz 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ZINC000670452044 544042652 /nfs/dbraw/zinc/04/26/52/544042652.db2.gz BBIWSVURBSTHDR-HNNXBMFYSA-N 1 2 311.809 2.968 50 0 DFAALO c1cc([C@H]2CCC[N@@H+](Cc3cnc(N4CCCC4)s3)C2)[nH]n1 ZINC000670456646 544043382 /nfs/dbraw/zinc/04/33/82/544043382.db2.gz GPLWZXKDTIIREU-ZDUSSCGKSA-N 1 2 317.462 2.846 50 0 DFAALO c1cc([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)[nH]n1 ZINC000670456646 544043386 /nfs/dbraw/zinc/04/33/86/544043386.db2.gz GPLWZXKDTIIREU-ZDUSSCGKSA-N 1 2 317.462 2.846 50 0 DFAALO Cc1nonc1C[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000670467387 544044821 /nfs/dbraw/zinc/04/48/21/544044821.db2.gz IFIVESXVOOSORD-ZDUSSCGKSA-N 1 2 305.353 2.808 50 0 DFAALO Cc1nonc1C[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000670467387 544044822 /nfs/dbraw/zinc/04/48/22/544044822.db2.gz IFIVESXVOOSORD-ZDUSSCGKSA-N 1 2 305.353 2.808 50 0 DFAALO CC[C@@H](Nc1cccc(OC)c1)C(=O)N(C)Cc1[nH]cc(C)[nH+]1 ZINC000055309144 425892942 /nfs/dbraw/zinc/89/29/42/425892942.db2.gz CFTGJLWQHXFCDB-OAHLLOKOSA-N 1 2 316.405 2.576 50 0 DFAALO CCCCOc1c(C[NH2+][C@H](C)c2nncn2C)cccc1OC ZINC000055393630 425893666 /nfs/dbraw/zinc/89/36/66/425893666.db2.gz WJGUBOHJULHRKI-CYBMUJFWSA-N 1 2 318.421 2.853 50 0 DFAALO Cc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000055561963 425894270 /nfs/dbraw/zinc/89/42/70/425894270.db2.gz JOODQHUYFDNSQV-UHFFFAOYSA-N 1 2 309.413 2.756 50 0 DFAALO C[C@H](NC(=O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000058122955 425897261 /nfs/dbraw/zinc/89/72/61/425897261.db2.gz QMEGOSUAIRSHMM-KRWDZBQOSA-N 1 2 323.440 2.686 50 0 DFAALO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)C3CCCCCC3)C2)n[nH]1 ZINC000067560094 425911233 /nfs/dbraw/zinc/91/12/33/425911233.db2.gz IDBGRGHGCBBTLO-HNNXBMFYSA-N 1 2 318.465 2.627 50 0 DFAALO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)C3CCCCCC3)C2)n[nH]1 ZINC000067560094 425911234 /nfs/dbraw/zinc/91/12/34/425911234.db2.gz IDBGRGHGCBBTLO-HNNXBMFYSA-N 1 2 318.465 2.627 50 0 DFAALO Cc1nc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)cc[nH+]1 ZINC000067648967 425912011 /nfs/dbraw/zinc/91/20/11/425912011.db2.gz 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/nfs/dbraw/zinc/91/33/56/425913356.db2.gz LOCCNXABODGTQB-UHFFFAOYSA-N 1 2 319.368 2.585 50 0 DFAALO CC(C)N(Cc1[nH+]ccn1C)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000067946955 425914964 /nfs/dbraw/zinc/91/49/64/425914964.db2.gz POZXZHFDANEAQD-UHFFFAOYSA-N 1 2 323.400 2.861 50 0 DFAALO Cn1cc[nH+]c1CCNC(=O)CSc1ccc(Cl)cc1 ZINC000069389431 425937678 /nfs/dbraw/zinc/93/76/78/425937678.db2.gz NMWLMEHOEJNMEU-UHFFFAOYSA-N 1 2 309.822 2.525 50 0 DFAALO O=C(Cn1cc[nH+]c1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000108742 425537603 /nfs/dbraw/zinc/53/76/03/425537603.db2.gz VWJXZDQFWNIRPV-UHFFFAOYSA-N 1 2 301.680 2.690 50 0 DFAALO O=C(NC(=O)c1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000000118161 425538025 /nfs/dbraw/zinc/53/80/25/425538025.db2.gz FXQQNYZQTADODM-HOTGVXAUSA-N 1 2 316.401 2.818 50 0 DFAALO O=C(NC(=O)c1ccccc1)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000000118161 425538028 /nfs/dbraw/zinc/53/80/28/425538028.db2.gz FXQQNYZQTADODM-HOTGVXAUSA-N 1 2 316.401 2.818 50 0 DFAALO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1O 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CC(=O)c1cccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000005041755 425624116 /nfs/dbraw/zinc/62/41/16/425624116.db2.gz OGTWGFUQWLUELL-UHFFFAOYSA-N 1 2 324.384 2.638 50 0 DFAALO CCc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000006700453 425627582 /nfs/dbraw/zinc/62/75/82/425627582.db2.gz NRXDLSSVEIDITF-UHFFFAOYSA-N 1 2 310.401 2.998 50 0 DFAALO O[C@@H](c1ccccc1)C1CC[NH+](Cc2nc(C3CC3)no2)CC1 ZINC000012709454 425735436 /nfs/dbraw/zinc/73/54/36/425735436.db2.gz OUTPHGSOLSOUNO-KRWDZBQOSA-N 1 2 313.401 2.893 50 0 DFAALO O=C(C[N@@H+]1CCc2sccc2C1)NCCc1ccc(F)cc1 ZINC000012825164 425739618 /nfs/dbraw/zinc/73/96/18/425739618.db2.gz IWTLTULPXWMWSU-UHFFFAOYSA-N 1 2 318.417 2.604 50 0 DFAALO O=C(C[N@H+]1CCc2sccc2C1)NCCc1ccc(F)cc1 ZINC000012825164 425739624 /nfs/dbraw/zinc/73/96/24/425739624.db2.gz IWTLTULPXWMWSU-UHFFFAOYSA-N 1 2 318.417 2.604 50 0 DFAALO Cc1ccc(-c2cnnc(N(C)Cc3c[nH+]c4ccccn34)n2)o1 ZINC000011818921 425713693 /nfs/dbraw/zinc/71/36/93/425713693.db2.gz NWLREPGJWGBYFU-UHFFFAOYSA-N 1 2 320.356 2.724 50 0 DFAALO O=C1OCC[C@H]1[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000014914178 425775810 /nfs/dbraw/zinc/77/58/10/425775810.db2.gz XRTALQDEKOXCOW-CYBMUJFWSA-N 1 2 302.399 2.791 50 0 DFAALO OC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000015064956 425778053 /nfs/dbraw/zinc/77/80/53/425778053.db2.gz LQAMWAYOFIMSCG-CYBMUJFWSA-N 1 2 321.808 2.661 50 0 DFAALO OC[C@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000015064956 425778058 /nfs/dbraw/zinc/77/80/58/425778058.db2.gz LQAMWAYOFIMSCG-CYBMUJFWSA-N 1 2 321.808 2.661 50 0 DFAALO OC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000015064955 425778713 /nfs/dbraw/zinc/77/87/13/425778713.db2.gz LQAMWAYOFIMSCG-ZDUSSCGKSA-N 1 2 321.808 2.661 50 0 DFAALO OC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2ccccc2Cl)no1 ZINC000015064955 425778718 /nfs/dbraw/zinc/77/87/18/425778718.db2.gz LQAMWAYOFIMSCG-ZDUSSCGKSA-N 1 2 321.808 2.661 50 0 DFAALO Cc1c(C2N3CC4(C)C[NH+]2CC(C)(C3)C4=O)c2ccccc2n1C ZINC000019318892 425788939 /nfs/dbraw/zinc/78/89/39/425788939.db2.gz OJUDIJXBZSAGOX-UHFFFAOYSA-N 1 2 323.440 2.712 50 0 DFAALO COc1ccc(F)cc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000024165320 425800393 /nfs/dbraw/zinc/80/03/93/425800393.db2.gz XBJKJHHXHBBKQJ-UHFFFAOYSA-N 1 2 316.376 2.862 50 0 DFAALO O=C(c1c(F)cccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025326129 425804417 /nfs/dbraw/zinc/80/44/17/425804417.db2.gz FAEMDZAMJCLXSR-UHFFFAOYSA-N 1 2 316.351 2.923 50 0 DFAALO COc1ccccc1N1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000025539886 425805314 /nfs/dbraw/zinc/80/53/14/425805314.db2.gz GRGYFXDAOZBGPF-UHFFFAOYSA-N 1 2 322.412 2.894 50 0 DFAALO Cc1cc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)no1 ZINC000025418068 425805455 /nfs/dbraw/zinc/80/54/55/425805455.db2.gz MJYLZYLPKXXJRN-GOSISDBHSA-N 1 2 322.368 2.696 50 0 DFAALO CC(=O)c1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)s1 ZINC000025528450 425806027 /nfs/dbraw/zinc/80/60/27/425806027.db2.gz BGSNIKDINIXLFN-UHFFFAOYSA-N 1 2 313.382 2.571 50 0 DFAALO Cc1cc(OC(C)(C)C(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000013744732 425760384 /nfs/dbraw/zinc/76/03/84/425760384.db2.gz PTJLEXLSVJDSAW-UHFFFAOYSA-N 1 2 310.825 2.580 50 0 DFAALO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)cc1 ZINC000044889266 425858250 /nfs/dbraw/zinc/85/82/50/425858250.db2.gz WWDNKSSPLGMCCW-AWEZNQCLSA-N 1 2 317.414 2.927 50 0 DFAALO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nccs2)cc1 ZINC000044889266 425858251 /nfs/dbraw/zinc/85/82/51/425858251.db2.gz WWDNKSSPLGMCCW-AWEZNQCLSA-N 1 2 317.414 2.927 50 0 DFAALO NC(=O)[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2)n1 ZINC000044867544 425858334 /nfs/dbraw/zinc/85/83/34/425858334.db2.gz YZILFNXZYAZQRX-CQSZACIVSA-N 1 2 301.415 2.650 50 0 DFAALO NC(=O)[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2)n1 ZINC000044867544 425858335 /nfs/dbraw/zinc/85/83/35/425858335.db2.gz YZILFNXZYAZQRX-CQSZACIVSA-N 1 2 301.415 2.650 50 0 DFAALO O=C(NCCCNc1cccc[nH+]1)N1CCc2sccc2C1 ZINC000044970663 425859006 /nfs/dbraw/zinc/85/90/06/425859006.db2.gz SJTQPRHFVFZIBF-UHFFFAOYSA-N 1 2 316.430 2.713 50 0 DFAALO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccn1)c1ccccn1 ZINC000046088332 425864137 /nfs/dbraw/zinc/86/41/37/425864137.db2.gz LBUKROWSPNWLJT-LBPRGKRZSA-N 1 2 317.356 2.779 50 0 DFAALO CC(C)CNC(=O)C[N@H+](C)Cc1ccc(Br)s1 ZINC000046171438 425864465 /nfs/dbraw/zinc/86/44/65/425864465.db2.gz LURLFURWTZAVLC-UHFFFAOYSA-N 1 2 319.268 2.715 50 0 DFAALO CC(C)CNC(=O)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000046171438 425864466 /nfs/dbraw/zinc/86/44/66/425864466.db2.gz LURLFURWTZAVLC-UHFFFAOYSA-N 1 2 319.268 2.715 50 0 DFAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2nc(C)no2)c1 ZINC000027279845 425815819 /nfs/dbraw/zinc/81/58/19/425815819.db2.gz QUXYMOAHISFBIS-CQSZACIVSA-N 1 2 303.362 2.732 50 0 DFAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2nc(C)no2)c1 ZINC000027279845 425815822 /nfs/dbraw/zinc/81/58/22/425815822.db2.gz QUXYMOAHISFBIS-CQSZACIVSA-N 1 2 303.362 2.732 50 0 DFAALO Nc1nc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)nc2ccccc12 ZINC000027350587 425815890 /nfs/dbraw/zinc/81/58/90/425815890.db2.gz UZSNKVSNAKVVGN-JTQLQIEISA-N 1 2 310.323 2.986 50 0 DFAALO Nc1nc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)nc2ccccc12 ZINC000027350587 425815893 /nfs/dbraw/zinc/81/58/93/425815893.db2.gz UZSNKVSNAKVVGN-JTQLQIEISA-N 1 2 310.323 2.986 50 0 DFAALO O=C(Cc1ccccc1F)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000030299791 425831072 /nfs/dbraw/zinc/83/10/72/425831072.db2.gz AWPAUBYRTZJWJT-UHFFFAOYSA-N 1 2 313.376 2.680 50 0 DFAALO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC000031557974 425835149 /nfs/dbraw/zinc/83/51/49/425835149.db2.gz SGZPLNQRHSCOOU-OAHLLOKOSA-N 1 2 320.339 2.839 50 0 DFAALO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC000031557974 425835151 /nfs/dbraw/zinc/83/51/51/425835151.db2.gz SGZPLNQRHSCOOU-OAHLLOKOSA-N 1 2 320.339 2.839 50 0 DFAALO Cc1nc2cc(NC(=O)Cc3cn4ccccc4[nH+]3)ccc2o1 ZINC000032451752 425838524 /nfs/dbraw/zinc/83/85/24/425838524.db2.gz LMIORHGYTGRODX-UHFFFAOYSA-N 1 2 306.325 2.965 50 0 DFAALO CC[C@H](Cn1cc[nH+]c1)n1cnc2cccc(Cl)c2c1=O ZINC000032580890 425839016 /nfs/dbraw/zinc/83/90/16/425839016.db2.gz JVVQBZPEOMOJDJ-LLVKDONJSA-N 1 2 302.765 2.898 50 0 DFAALO CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000032854040 425840255 /nfs/dbraw/zinc/84/02/55/425840255.db2.gz PDIAPTCXYBJXKC-AWEZNQCLSA-N 1 2 304.369 2.748 50 0 DFAALO COc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000032913600 425840761 /nfs/dbraw/zinc/84/07/61/425840761.db2.gz IIMPFCPAJHYAPR-UHFFFAOYSA-N 1 2 308.341 2.587 50 0 DFAALO Oc1ccc(-c2[nH]c3cc(F)c(N4CCOCC4)cc3[nH+]2)cc1 ZINC000038297739 425850770 /nfs/dbraw/zinc/85/07/70/425850770.db2.gz KVOJCVOWFLHQIV-UHFFFAOYSA-N 1 2 313.332 2.911 50 0 DFAALO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCSc2ccccc21 ZINC000047871014 425872222 /nfs/dbraw/zinc/87/22/22/425872222.db2.gz BSSALRDRKIFZTD-GXTWGEPZSA-N 1 2 316.430 2.808 50 0 DFAALO CN(C)c1ccc(CNC(=O)N(C)Cc2ccsc2)c[nH+]1 ZINC000048235962 425873758 /nfs/dbraw/zinc/87/37/58/425873758.db2.gz GWWLWKJNTHTCLJ-UHFFFAOYSA-N 1 2 304.419 2.551 50 0 DFAALO O=S(=O)(CC[NH+]1CCCC1)c1cc(Cl)ccc1Cl ZINC000048419124 425875450 /nfs/dbraw/zinc/87/54/50/425875450.db2.gz QFIOPMKJFBOIJC-UHFFFAOYSA-N 1 2 308.230 2.863 50 0 DFAALO CC(C)=CC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000048817123 425877671 /nfs/dbraw/zinc/87/76/71/425877671.db2.gz XRVSIKFIOSECMT-UHFFFAOYSA-N 1 2 308.179 2.679 50 0 DFAALO CCc1[nH+]c(C)ccc1OCc1nn2c(nnc2C2CC2)s1 ZINC000071776396 425989053 /nfs/dbraw/zinc/98/90/53/425989053.db2.gz HXBNANSLVVZIQE-UHFFFAOYSA-N 1 2 315.402 2.908 50 0 DFAALO O=C(NCCSc1[nH+]cc2ccccn21)OCC(F)(F)F ZINC000071804181 425989685 /nfs/dbraw/zinc/98/96/85/425989685.db2.gz CKTUZXGWMACYEG-UHFFFAOYSA-N 1 2 319.308 2.715 50 0 DFAALO O=C([C@H]1Cc2ccccc2S1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000071796525 425990060 /nfs/dbraw/zinc/99/00/60/425990060.db2.gz CQKQGBYLCQPODH-GDBMZVCRSA-N 1 2 313.426 2.764 50 0 DFAALO CCc1noc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)n1 ZINC000071794780 425990123 /nfs/dbraw/zinc/99/01/23/425990123.db2.gz VKUNFXASNGRPFA-KRWDZBQOSA-N 1 2 301.390 2.578 50 0 DFAALO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)cn1 ZINC000071797106 425990315 /nfs/dbraw/zinc/99/03/15/425990315.db2.gz OLAMNZTYDKWPHL-GOSISDBHSA-N 1 2 307.401 2.943 50 0 DFAALO Cn1cc([C@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)cn1 ZINC000071797106 425990318 /nfs/dbraw/zinc/99/03/18/425990318.db2.gz OLAMNZTYDKWPHL-GOSISDBHSA-N 1 2 307.401 2.943 50 0 DFAALO Cc1nc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)oc1C ZINC000071824770 425992608 /nfs/dbraw/zinc/99/26/08/425992608.db2.gz HWLODQLDMXTYHC-UHFFFAOYSA-N 1 2 319.430 2.701 50 0 DFAALO Cc1nc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)oc1C ZINC000071824770 425992609 /nfs/dbraw/zinc/99/26/09/425992609.db2.gz HWLODQLDMXTYHC-UHFFFAOYSA-N 1 2 319.430 2.701 50 0 DFAALO CC(C)[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 ZINC000071851787 425995731 /nfs/dbraw/zinc/99/57/31/425995731.db2.gz HLIHWESZWHNSDG-UHFFFAOYSA-N 1 2 315.442 2.976 50 0 DFAALO Cc1cccnc1[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000071909193 426003446 /nfs/dbraw/zinc/00/34/46/426003446.db2.gz KNIIPCDGLZPQPZ-CABCVRRESA-N 1 2 315.421 2.672 50 0 DFAALO c1cn(-c2ccccc2)nc1CN1CCc2c([nH+]cn2C2CC2)C1 ZINC000069419861 425940059 /nfs/dbraw/zinc/94/00/59/425940059.db2.gz VDABPSRWRKCZDS-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO c1cn(-c2ccccc2)nc1C[N@@H+]1CCc2c(ncn2C2CC2)C1 ZINC000069419861 425940062 /nfs/dbraw/zinc/94/00/62/425940062.db2.gz VDABPSRWRKCZDS-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO c1cn(-c2ccccc2)nc1C[N@H+]1CCc2c(ncn2C2CC2)C1 ZINC000069419861 425940064 /nfs/dbraw/zinc/94/00/64/425940064.db2.gz VDABPSRWRKCZDS-UHFFFAOYSA-N 1 2 319.412 2.962 50 0 DFAALO CCc1noc([C@H](C)[NH+]2CCN(c3cccc(OC)c3)CC2)n1 ZINC000069442747 425940649 /nfs/dbraw/zinc/94/06/49/425940649.db2.gz PRYQCCCMRCCQKO-ZDUSSCGKSA-N 1 2 316.405 2.524 50 0 DFAALO C[C@H]1C[C@H](C)CN(C(=O)NCCc2[nH+]ccn2C(F)F)C1 ZINC000069580543 425947684 /nfs/dbraw/zinc/94/76/84/425947684.db2.gz WVRNOTQQOLFQSN-QWRGUYRKSA-N 1 2 300.353 2.508 50 0 DFAALO O=C(c1cc2c(s1)CCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069661562 425951398 /nfs/dbraw/zinc/95/13/98/425951398.db2.gz XZLUXCFVBURIBG-ZDUSSCGKSA-N 1 2 301.415 2.911 50 0 DFAALO C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)n1cnc2ccccc21 ZINC000069657196 425952349 /nfs/dbraw/zinc/95/23/49/425952349.db2.gz YONIOEIPGDLAJH-GJZGRUSLSA-N 1 2 323.400 2.658 50 0 DFAALO O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000069667972 425953271 /nfs/dbraw/zinc/95/32/71/425953271.db2.gz NZZQWKSWRSTVRO-ZIAGYGMSSA-N 1 2 323.318 2.964 50 0 DFAALO COc1c(C)c[nH+]c(Cn2nc(-c3cccs3)oc2=O)c1C ZINC000069775018 425956686 /nfs/dbraw/zinc/95/66/86/425956686.db2.gz ZWJSVGCZCKJYOI-UHFFFAOYSA-N 1 2 317.370 2.634 50 0 DFAALO Cc1noc([C@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000069874093 425960950 /nfs/dbraw/zinc/96/09/50/425960950.db2.gz SYUCNZCCVHKCEE-ZDUSSCGKSA-N 1 2 324.494 2.780 50 0 DFAALO Cc1csc(N2CC[N@@H+](CCOCC(F)(F)F)C[C@@H]2C)n1 ZINC000069952073 425964020 /nfs/dbraw/zinc/96/40/20/425964020.db2.gz VKPWTTOHEINZGZ-NSHDSACASA-N 1 2 323.384 2.541 50 0 DFAALO Cc1csc(N2CC[N@H+](CCOCC(F)(F)F)C[C@@H]2C)n1 ZINC000069952073 425964023 /nfs/dbraw/zinc/96/40/23/425964023.db2.gz VKPWTTOHEINZGZ-NSHDSACASA-N 1 2 323.384 2.541 50 0 DFAALO C[C@@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1cccs1 ZINC000106905797 425980184 /nfs/dbraw/zinc/98/01/84/425980184.db2.gz ADFUZOJSNXAERI-NEPJUHHUSA-N 1 2 304.419 2.672 50 0 DFAALO C[C@@H](Nc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1cccs1 ZINC000106905797 425980187 /nfs/dbraw/zinc/98/01/87/425980187.db2.gz ADFUZOJSNXAERI-NEPJUHHUSA-N 1 2 304.419 2.672 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000075128070 426064145 /nfs/dbraw/zinc/06/41/45/426064145.db2.gz CMRYZVDYKVJJAL-INIZCTEOSA-N 1 2 316.380 2.863 50 0 DFAALO c1cn(C2CCN(Cc3noc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000075139000 426065409 /nfs/dbraw/zinc/06/54/09/426065409.db2.gz IIXLXEJPZCUNBC-UHFFFAOYSA-N 1 2 309.373 2.770 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)C(C)(C)c1cccs1)C2 ZINC000072285422 426011758 /nfs/dbraw/zinc/01/17/58/426011758.db2.gz SIHZPTRDPAOIPB-LBPRGKRZSA-N 1 2 303.431 2.662 50 0 DFAALO CCc1csc([C@H]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)C2)n1 ZINC000072282105 426011923 /nfs/dbraw/zinc/01/19/23/426011923.db2.gz WBUHYLZFGMTYJV-STQMWFEESA-N 1 2 318.446 2.869 50 0 DFAALO CCc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)C2)n1 ZINC000072282104 426012244 /nfs/dbraw/zinc/01/22/44/426012244.db2.gz WBUHYLZFGMTYJV-QWHCGFSZSA-N 1 2 318.446 2.869 50 0 DFAALO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000126310697 426014381 /nfs/dbraw/zinc/01/43/81/426014381.db2.gz IROIPHAFVJSZRJ-GOSISDBHSA-N 1 2 310.397 2.667 50 0 DFAALO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C(N)=O)c2)CCO1 ZINC000126310697 426014382 /nfs/dbraw/zinc/01/43/82/426014382.db2.gz IROIPHAFVJSZRJ-GOSISDBHSA-N 1 2 310.397 2.667 50 0 DFAALO CCOc1ccccc1CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077454853 426133968 /nfs/dbraw/zinc/13/39/68/426133968.db2.gz ARJSXNJHBBQEHE-OAHLLOKOSA-N 1 2 313.401 2.757 50 0 DFAALO COc1ccc(N2CC[N@H+](CCCCCF)[C@@H](C)C2=O)cc1 ZINC000077485596 426135555 /nfs/dbraw/zinc/13/55/55/426135555.db2.gz YXMCVQTXZNOCDK-AWEZNQCLSA-N 1 2 308.397 2.872 50 0 DFAALO COc1ccc(N2CC[N@@H+](CCCCCF)[C@@H](C)C2=O)cc1 ZINC000077485596 426135559 /nfs/dbraw/zinc/13/55/59/426135559.db2.gz YXMCVQTXZNOCDK-AWEZNQCLSA-N 1 2 308.397 2.872 50 0 DFAALO C[C@H]1C[C@H]1C(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000075771461 426082783 /nfs/dbraw/zinc/08/27/83/426082783.db2.gz ARJFZENEVLYQHO-WMLDXEAASA-N 1 2 309.413 2.535 50 0 DFAALO Cc1ncsc1CCN(C)c1ccc(Cn2cc[nH+]c2)cn1 ZINC000077540241 426139280 /nfs/dbraw/zinc/13/92/80/426139280.db2.gz WHUJPOBNGLFMLC-UHFFFAOYSA-N 1 2 313.430 2.770 50 0 DFAALO Cc1nc2ccccc2nc1SCC[N@H+]1CCOC[C@H]1C ZINC000170605579 426140680 /nfs/dbraw/zinc/14/06/80/426140680.db2.gz WKACNVNTTMTSIT-GFCCVEGCSA-N 1 2 303.431 2.751 50 0 DFAALO Cc1nc2ccccc2nc1SCC[N@@H+]1CCOC[C@H]1C ZINC000170605579 426140683 /nfs/dbraw/zinc/14/06/83/426140683.db2.gz WKACNVNTTMTSIT-GFCCVEGCSA-N 1 2 303.431 2.751 50 0 DFAALO CO[C@H](C)c1noc(C[N@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000170650578 426142887 /nfs/dbraw/zinc/14/28/87/426142887.db2.gz SPDGFVUKJSLLLX-IUODEOHRSA-N 1 2 317.389 2.523 50 0 DFAALO CO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)n1 ZINC000170650578 426142890 /nfs/dbraw/zinc/14/28/90/426142890.db2.gz SPDGFVUKJSLLLX-IUODEOHRSA-N 1 2 317.389 2.523 50 0 DFAALO Cc1ccc([C@H]2C[C@H]2C(=O)N(C)CCCn2cc[nH+]c2)s1 ZINC000089656341 426301411 /nfs/dbraw/zinc/30/14/11/426301411.db2.gz FTKGUCWIOFHQFD-UONOGXRCSA-N 1 2 303.431 2.905 50 0 DFAALO O=C(NCCn1cc[nH+]c1)NCC1(Cc2ccccc2)CCC1 ZINC000089830292 426311317 /nfs/dbraw/zinc/31/13/17/426311317.db2.gz QGWHONOTBXXPBB-UHFFFAOYSA-N 1 2 312.417 2.595 50 0 DFAALO COCc1cc(N[C@@H](c2[nH+]ccn2C)c2ccccc2)ncn1 ZINC000095362320 426368238 /nfs/dbraw/zinc/36/82/38/426368238.db2.gz XDMMDURHAYNZHQ-MRXNPFEDSA-N 1 2 309.373 2.558 50 0 DFAALO C[C@@H]1C[N@H+](CC(=O)N(C2=CCCCC2)C2CC2)CC(C)(C)O1 ZINC000095377500 426368841 /nfs/dbraw/zinc/36/88/41/426368841.db2.gz HTWLTEHGJRRENU-CQSZACIVSA-N 1 2 306.450 2.935 50 0 DFAALO C[C@@H]1C[N@@H+](CC(=O)N(C2=CCCCC2)C2CC2)CC(C)(C)O1 ZINC000095377500 426368844 /nfs/dbraw/zinc/36/88/44/426368844.db2.gz HTWLTEHGJRRENU-CQSZACIVSA-N 1 2 306.450 2.935 50 0 DFAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC=CC2)CC1 ZINC000095943336 426375773 /nfs/dbraw/zinc/37/57/73/426375773.db2.gz TWFZGZQEFROGNI-ZDUSSCGKSA-N 1 2 305.447 2.855 50 0 DFAALO O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000095956208 426377476 /nfs/dbraw/zinc/37/74/76/426377476.db2.gz ADTGJYADDOBHRE-HZPDHXFCSA-N 1 2 322.343 2.692 50 0 DFAALO Cn1cnnc1C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000095973835 426380417 /nfs/dbraw/zinc/38/04/17/426380417.db2.gz PDFYEAGQIKOXPM-ZDUSSCGKSA-N 1 2 320.824 2.760 50 0 DFAALO Cn1cnnc1C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000095973835 426380418 /nfs/dbraw/zinc/38/04/18/426380418.db2.gz PDFYEAGQIKOXPM-ZDUSSCGKSA-N 1 2 320.824 2.760 50 0 DFAALO CCn1cnnc1C1CCN(c2[nH+]cccc2OC(F)F)CC1 ZINC000095997137 426386641 /nfs/dbraw/zinc/38/66/41/426386641.db2.gz RQMMXFTWWBRMFS-UHFFFAOYSA-N 1 2 323.347 2.678 50 0 DFAALO Cc1noc(C[NH2+][C@H](C)c2c(C)nn(CC(F)(F)F)c2C)n1 ZINC000096013893 426388584 /nfs/dbraw/zinc/38/85/84/426388584.db2.gz RTOLVJLDUWFOFZ-SSDOTTSWSA-N 1 2 317.315 2.604 50 0 DFAALO C[C@H](NCc1noc(C2CC2)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097083981 426446932 /nfs/dbraw/zinc/44/69/32/426446932.db2.gz HFHIKDPKPXNLCH-LBPRGKRZSA-N 1 2 309.373 2.984 50 0 DFAALO COC(=O)C[C@H](c1ccco1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096224228 426409903 /nfs/dbraw/zinc/40/99/03/426409903.db2.gz VPFMXKXHWBDVBF-MRVPVSSYSA-N 1 2 304.327 2.685 50 0 DFAALO COC(=O)C[C@@H](c1ccco1)c1c2[nH]s[nH+]c-2ccc1=O ZINC000096224227 426410021 /nfs/dbraw/zinc/41/00/21/426410021.db2.gz VPFMXKXHWBDVBF-QMMMGPOBSA-N 1 2 304.327 2.685 50 0 DFAALO COc1ccc(-c2[nH+]c(C)nc(N3CCCC3)c2N)cc1OC ZINC000096282075 426412455 /nfs/dbraw/zinc/41/24/55/426412455.db2.gz WOFVNCIOQBBYAJ-UHFFFAOYSA-N 1 2 314.389 2.652 50 0 DFAALO CC1CCN(C2=[NH+]CCN2C(=O)c2ccccc2Cl)CC1 ZINC000096339169 426414107 /nfs/dbraw/zinc/41/41/07/426414107.db2.gz HLNOJMZMXTZNJT-UHFFFAOYSA-N 1 2 305.809 2.884 50 0 DFAALO CC(C)(CNc1nc2ccccc2s1)[NH+]1CCS(=O)CC1 ZINC000096418727 426419350 /nfs/dbraw/zinc/41/93/50/426419350.db2.gz XYJLWSDWAJNWPP-UHFFFAOYSA-N 1 2 323.487 2.551 50 0 DFAALO C[C@H](CNc1ncnc2cc(F)c(F)cc21)Cn1cc[nH+]c1 ZINC000096429200 426422873 /nfs/dbraw/zinc/42/28/73/426422873.db2.gz VQYSTHGNNHTNNY-SNVBAGLBSA-N 1 2 303.316 2.853 50 0 DFAALO Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432046 426422901 /nfs/dbraw/zinc/42/29/01/426422901.db2.gz BVMQTWXIHLDRPG-LBPRGKRZSA-N 1 2 323.400 2.714 50 0 DFAALO CCO[C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C12CCCC2 ZINC000096432588 426423816 /nfs/dbraw/zinc/42/38/16/426423816.db2.gz SRWBAWAPKQDUMF-LSDHHAIUSA-N 1 2 305.422 2.517 50 0 DFAALO Cc1cc(NC(=O)NCc2[nH+]ccn2C)ccc1OC(C)C ZINC000096435271 426424912 /nfs/dbraw/zinc/42/49/12/426424912.db2.gz PHGABAWWXMGWRC-UHFFFAOYSA-N 1 2 302.378 2.837 50 0 DFAALO CSC[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096440462 426425877 /nfs/dbraw/zinc/42/58/77/426425877.db2.gz OCQBVMBRBOLTRU-OLZOCXBDSA-N 1 2 318.446 2.984 50 0 DFAALO Cc1nc([C@@H](C)NC(=O)NCc2[nH+]ccn2CC(C)C)cs1 ZINC000096440010 426425917 /nfs/dbraw/zinc/42/59/17/426425917.db2.gz YVRHQFKYHCOWGA-LLVKDONJSA-N 1 2 321.450 2.864 50 0 DFAALO CC[C@](C)([NH2+]Cc1nnnn1-c1ccccc1)c1nccs1 ZINC000096443431 426426887 /nfs/dbraw/zinc/42/68/87/426426887.db2.gz WRLHMQVKUKXKEB-HNNXBMFYSA-N 1 2 314.418 2.534 50 0 DFAALO CS(=O)(=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000096455792 426430512 /nfs/dbraw/zinc/43/05/12/426430512.db2.gz MOJOAXBDJRYJNE-QWRGUYRKSA-N 1 2 322.352 2.868 50 0 DFAALO COc1ccccc1[S@@](=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000096459955 426431307 /nfs/dbraw/zinc/43/13/07/426431307.db2.gz CNRQJTJTHFMQRE-OAQYLSRUSA-N 1 2 300.383 2.959 50 0 DFAALO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc2cnccc21 ZINC000096474643 426432680 /nfs/dbraw/zinc/43/26/80/426432680.db2.gz AWECSFYOGWRWCB-UHFFFAOYSA-N 1 2 313.382 2.845 50 0 DFAALO CCC(=O)c1cccc(S(=O)(=O)N(CC)c2cc[nH+]cc2)c1 ZINC000096483184 426434205 /nfs/dbraw/zinc/43/42/05/426434205.db2.gz UPBMHLIENFYYFW-UHFFFAOYSA-N 1 2 318.398 2.890 50 0 DFAALO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccccc1-n1cccn1 ZINC000096491708 426435683 /nfs/dbraw/zinc/43/56/83/426435683.db2.gz NZLORPALOKMTKI-LBPRGKRZSA-N 1 2 309.373 2.984 50 0 DFAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)N1CCO[C@@H](C)[C@H]1C ZINC000096499582 426436786 /nfs/dbraw/zinc/43/67/86/426436786.db2.gz VQFPENABWYHLPZ-KGLIPLIRSA-N 1 2 318.421 2.631 50 0 DFAALO CC[C@@H](c1ccncc1)[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000097034172 426440555 /nfs/dbraw/zinc/44/05/55/426440555.db2.gz NNXFRTDVTCLDFR-KRWDZBQOSA-N 1 2 322.412 2.912 50 0 DFAALO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000097034172 426440559 /nfs/dbraw/zinc/44/05/59/426440559.db2.gz NNXFRTDVTCLDFR-KRWDZBQOSA-N 1 2 322.412 2.912 50 0 DFAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)NC1(C)CCOCC1 ZINC000097045786 426443164 /nfs/dbraw/zinc/44/31/64/426443164.db2.gz PSGIGXZVGVAJHF-UHFFFAOYSA-N 1 2 318.421 2.681 50 0 DFAALO COc1ccc(-c2nc(C[NH2+][C@H](C)c3ccncc3)no2)cc1 ZINC000097084019 426446894 /nfs/dbraw/zinc/44/68/94/426446894.db2.gz SXCWOQCHOYHIND-GFCCVEGCSA-N 1 2 310.357 2.991 50 0 DFAALO C[C@H]([NH2+][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1)C(=O)N(C)C ZINC000097112481 426451191 /nfs/dbraw/zinc/45/11/91/426451191.db2.gz OLCGFPYBDYLZBB-UWVGGRQHSA-N 1 2 322.796 2.517 50 0 DFAALO Cc1[nH+]c(N2CCCC2)ccc1NC(=O)NCCOC(C)C ZINC000097113438 426451954 /nfs/dbraw/zinc/45/19/54/426451954.db2.gz WMPUBMFORMCMJH-UHFFFAOYSA-N 1 2 306.410 2.537 50 0 DFAALO Cc1cccc(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)n1 ZINC000097198066 426458226 /nfs/dbraw/zinc/45/82/26/426458226.db2.gz CFGBXCFWLKKSOF-ZDUSSCGKSA-N 1 2 312.417 2.629 50 0 DFAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n(C)c2=O)no1 ZINC000097201378 426458478 /nfs/dbraw/zinc/45/84/78/426458478.db2.gz XAYCXWNCTGJEGQ-KRWDZBQOSA-N 1 2 324.384 2.567 50 0 DFAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n(C)c2=O)no1 ZINC000097201378 426458480 /nfs/dbraw/zinc/45/84/80/426458480.db2.gz XAYCXWNCTGJEGQ-KRWDZBQOSA-N 1 2 324.384 2.567 50 0 DFAALO CCc1ccc(-c2noc(CN3CCn4cc[nH+]c4C3)n2)cc1 ZINC000097201544 426459180 /nfs/dbraw/zinc/45/91/80/426459180.db2.gz MNHQDQGBPPFZQE-UHFFFAOYSA-N 1 2 309.373 2.511 50 0 DFAALO O=C(OC[C@H]1CCCCO1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000097231471 426460192 /nfs/dbraw/zinc/46/01/92/426460192.db2.gz QEGSVLOONDWHDX-MRXNPFEDSA-N 1 2 300.358 2.657 50 0 DFAALO CCc1ccccc1-c1cc(C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000097334301 426462457 /nfs/dbraw/zinc/46/24/57/426462457.db2.gz WXSQWCYQAJRTJX-UHFFFAOYSA-N 1 2 309.413 2.699 50 0 DFAALO COc1ccc(-c2ncc(CN(C)Cc3[nH+]ccn3C)cn2)cc1 ZINC000097334311 426462588 /nfs/dbraw/zinc/46/25/88/426462588.db2.gz LMGXWUKBEJGOEM-UHFFFAOYSA-N 1 2 323.400 2.518 50 0 DFAALO CCc1nc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000097374469 426463776 /nfs/dbraw/zinc/46/37/76/426463776.db2.gz CSKOPFKRCVAOLO-AVGNSLFASA-N 1 2 309.479 2.861 50 0 DFAALO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)ccn2)c(F)c1 ZINC000097610288 426470770 /nfs/dbraw/zinc/47/07/70/426470770.db2.gz OKHSPMUZPXRSNZ-UHFFFAOYSA-N 1 2 313.376 2.584 50 0 DFAALO O=C(/C=C\c1ccccc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000097674364 426471904 /nfs/dbraw/zinc/47/19/04/426471904.db2.gz BTDZVPBMYJXIMX-HJWRWDBZSA-N 1 2 311.360 2.583 50 0 DFAALO Cn1cc[nH+]c1C1CCN(C(=O)c2cnc3c(c2)CCCC3)CC1 ZINC000097733037 426473186 /nfs/dbraw/zinc/47/31/86/426473186.db2.gz IVDACBHMUAZGCD-UHFFFAOYSA-N 1 2 324.428 2.714 50 0 DFAALO Cc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCc3ccccc3C2)C1=O ZINC000100118333 426481102 /nfs/dbraw/zinc/48/11/02/426481102.db2.gz XNVUQHIRNJKJKZ-SFHVURJKSA-N 1 2 320.392 2.685 50 0 DFAALO Cc1ccccc1N1C(=O)C[C@H]([N@H+]2CCc3ccccc3C2)C1=O ZINC000100118333 426481103 /nfs/dbraw/zinc/48/11/03/426481103.db2.gz XNVUQHIRNJKJKZ-SFHVURJKSA-N 1 2 320.392 2.685 50 0 DFAALO COCCn1ccnc1C[N@H+](C)Cc1[nH]c2ccccc2c1C ZINC000215463394 426554678 /nfs/dbraw/zinc/55/46/78/426554678.db2.gz ACNUFURFBCTRSR-UHFFFAOYSA-N 1 2 312.417 2.951 50 0 DFAALO COCCn1ccnc1C[N@@H+](C)Cc1[nH]c2ccccc2c1C ZINC000215463394 426554684 /nfs/dbraw/zinc/55/46/84/426554684.db2.gz ACNUFURFBCTRSR-UHFFFAOYSA-N 1 2 312.417 2.951 50 0 DFAALO COCCn1cc[nH+]c1CN(C)Cc1[nH]c2ccccc2c1C ZINC000215463394 426554686 /nfs/dbraw/zinc/55/46/86/426554686.db2.gz ACNUFURFBCTRSR-UHFFFAOYSA-N 1 2 312.417 2.951 50 0 DFAALO COc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280238028 426527405 /nfs/dbraw/zinc/52/74/05/426527405.db2.gz KHQUGZFXHNGOBZ-BLLLJJGKSA-N 1 2 311.809 2.728 50 0 DFAALO COc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1Cl ZINC000280238028 426527409 /nfs/dbraw/zinc/52/74/09/426527409.db2.gz KHQUGZFXHNGOBZ-BLLLJJGKSA-N 1 2 311.809 2.728 50 0 DFAALO CN(C)c1ncc(C[N@H+](C)Cc2cc(-c3ccccc3)on2)cn1 ZINC000215922676 426555389 /nfs/dbraw/zinc/55/53/89/426555389.db2.gz AZHHSMBYXIIGJA-UHFFFAOYSA-N 1 2 323.400 2.830 50 0 DFAALO CN(C)c1ncc(C[N@@H+](C)Cc2cc(-c3ccccc3)on2)cn1 ZINC000215922676 426555390 /nfs/dbraw/zinc/55/53/90/426555390.db2.gz AZHHSMBYXIIGJA-UHFFFAOYSA-N 1 2 323.400 2.830 50 0 DFAALO COc1ccc(-n2ccnc2C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000215513185 426553747 /nfs/dbraw/zinc/55/37/47/426553747.db2.gz XEUZEZYZHLVXFI-QGZVFWFLSA-N 1 2 315.417 2.882 50 0 DFAALO COc1ccc(-n2ccnc2C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000215513185 426553751 /nfs/dbraw/zinc/55/37/51/426553751.db2.gz XEUZEZYZHLVXFI-QGZVFWFLSA-N 1 2 315.417 2.882 50 0 DFAALO Cc1[nH+]cc(CN(C)[C@H](C)c2ccc3c(c2)OCCO3)n1C ZINC000215393414 426554271 /nfs/dbraw/zinc/55/42/71/426554271.db2.gz XYXVSGJTFAQYJU-GFCCVEGCSA-N 1 2 301.390 2.693 50 0 DFAALO Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)no1 ZINC000222187242 426580808 /nfs/dbraw/zinc/58/08/08/426580808.db2.gz YFIUNHHVKYIYLX-ZIAGYGMSSA-N 1 2 307.781 2.902 50 0 DFAALO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Cl)no1 ZINC000222187242 426580811 /nfs/dbraw/zinc/58/08/11/426580811.db2.gz YFIUNHHVKYIYLX-ZIAGYGMSSA-N 1 2 307.781 2.902 50 0 DFAALO O[C@@H](C[N@@H+]1CCO[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000222212291 426580875 /nfs/dbraw/zinc/58/08/75/426580875.db2.gz GVHMJVWZIPBNBI-UONOGXRCSA-N 1 2 324.833 2.903 50 0 DFAALO O[C@@H](C[N@H+]1CCO[C@@H](c2nccs2)C1)c1ccc(Cl)cc1 ZINC000222212291 426580878 /nfs/dbraw/zinc/58/08/78/426580878.db2.gz GVHMJVWZIPBNBI-UONOGXRCSA-N 1 2 324.833 2.903 50 0 DFAALO Cc1cc2[nH]c(CCNC(=O)CCc3cccnc3)[nH+]c2cc1C ZINC000223239298 426586797 /nfs/dbraw/zinc/58/67/97/426586797.db2.gz DQRNPCQKAVLATE-UHFFFAOYSA-N 1 2 322.412 2.866 50 0 DFAALO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)C1CCCCC1 ZINC000224350572 426592916 /nfs/dbraw/zinc/59/29/16/426592916.db2.gz BBMZHXBTSDTDKH-UHFFFAOYSA-N 1 2 317.437 2.662 50 0 DFAALO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000225508451 426602760 /nfs/dbraw/zinc/60/27/60/426602760.db2.gz FTNNMMQWILVJAV-QGZVFWFLSA-N 1 2 323.440 2.996 50 0 DFAALO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000225508451 426602765 /nfs/dbraw/zinc/60/27/65/426602765.db2.gz FTNNMMQWILVJAV-QGZVFWFLSA-N 1 2 323.440 2.996 50 0 DFAALO CCS(=O)(=O)c1ccc(NCc2cc[nH+]c(N(C)C)c2)cc1 ZINC000225517325 426604059 /nfs/dbraw/zinc/60/40/59/426604059.db2.gz CGHGUSZJFUBQFC-UHFFFAOYSA-N 1 2 319.430 2.553 50 0 DFAALO CC[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)c1cccs1 ZINC000225480731 426604136 /nfs/dbraw/zinc/60/41/36/426604136.db2.gz CURIJOKVWAUYFQ-LBPRGKRZSA-N 1 2 304.419 2.938 50 0 DFAALO CC[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)c1cccs1 ZINC000225480731 426604140 /nfs/dbraw/zinc/60/41/40/426604140.db2.gz CURIJOKVWAUYFQ-LBPRGKRZSA-N 1 2 304.419 2.938 50 0 DFAALO O=C(NCCOCc1ccccc1)Nc1ccn2cc[nH+]c2c1 ZINC000225522214 426606423 /nfs/dbraw/zinc/60/64/23/426606423.db2.gz GYLRPPWFLUTVPN-UHFFFAOYSA-N 1 2 310.357 2.673 50 0 DFAALO CSc1ncc(C[N@H+](C)Cc2[nH]nc3c2CCCCC3)cn1 ZINC000216441305 426560423 /nfs/dbraw/zinc/56/04/23/426560423.db2.gz HKXVHGKPWLJLEH-UHFFFAOYSA-N 1 2 317.462 2.823 50 0 DFAALO CSc1ncc(C[N@@H+](C)Cc2[nH]nc3c2CCCCC3)cn1 ZINC000216441305 426560429 /nfs/dbraw/zinc/56/04/29/426560429.db2.gz HKXVHGKPWLJLEH-UHFFFAOYSA-N 1 2 317.462 2.823 50 0 DFAALO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000240499967 426715339 /nfs/dbraw/zinc/71/53/39/426715339.db2.gz NPTBMSHJRBETSX-HNNXBMFYSA-N 1 2 314.433 2.644 50 0 DFAALO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000240499967 426715343 /nfs/dbraw/zinc/71/53/43/426715343.db2.gz NPTBMSHJRBETSX-HNNXBMFYSA-N 1 2 314.433 2.644 50 0 DFAALO Cc1n[nH]cc1C[N@@H+](C)CC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000240499968 426715682 /nfs/dbraw/zinc/71/56/82/426715682.db2.gz NPTBMSHJRBETSX-OAHLLOKOSA-N 1 2 314.433 2.644 50 0 DFAALO Cc1n[nH]cc1C[N@H+](C)CC(=O)N[C@H](C)c1cc(C)ccc1C ZINC000240499968 426715688 /nfs/dbraw/zinc/71/56/88/426715688.db2.gz NPTBMSHJRBETSX-OAHLLOKOSA-N 1 2 314.433 2.644 50 0 DFAALO Cc1ccc([C@@H]2C[C@@H]2C(=O)NC[C@H](C)Cn2cc[nH+]c2)s1 ZINC000241961301 426718611 /nfs/dbraw/zinc/71/86/11/426718611.db2.gz URFRBIUUBDEIDJ-YUTCNCBUSA-N 1 2 303.431 2.809 50 0 DFAALO CC(C)c1nc(C(=O)N(C)CCCc2[nH+]ccn2C)cs1 ZINC000243893537 426721635 /nfs/dbraw/zinc/72/16/35/426721635.db2.gz ARTCANZNRSCGCJ-UHFFFAOYSA-N 1 2 306.435 2.705 50 0 DFAALO CC(=O)c1cc(C[NH+]2CCC(Oc3ncccn3)CC2)cs1 ZINC000244605578 426722787 /nfs/dbraw/zinc/72/27/87/426722787.db2.gz FBDIWVHBWQDAJM-UHFFFAOYSA-N 1 2 317.414 2.784 50 0 DFAALO CCn1cncc1C[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000244646995 426724053 /nfs/dbraw/zinc/72/40/53/426724053.db2.gz GTEHKKJXFHFRJX-GOSISDBHSA-N 1 2 311.385 2.513 50 0 DFAALO CCn1cncc1C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000244646995 426724057 /nfs/dbraw/zinc/72/40/57/426724057.db2.gz GTEHKKJXFHFRJX-GOSISDBHSA-N 1 2 311.385 2.513 50 0 DFAALO CCn1c[nH+]cc1CN1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000244646995 426724061 /nfs/dbraw/zinc/72/40/61/426724061.db2.gz GTEHKKJXFHFRJX-GOSISDBHSA-N 1 2 311.385 2.513 50 0 DFAALO C[N@H+](CC(=O)N1CC[C@H]1c1ccc(F)cc1)Cc1cccnc1 ZINC000244678837 426724687 /nfs/dbraw/zinc/72/46/87/426724687.db2.gz ILDHYVHSMSQRQF-KRWDZBQOSA-N 1 2 313.376 2.626 50 0 DFAALO C[N@@H+](CC(=O)N1CC[C@H]1c1ccc(F)cc1)Cc1cccnc1 ZINC000244678837 426724690 /nfs/dbraw/zinc/72/46/90/426724690.db2.gz 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COc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000040511288 183086838 /nfs/dbraw/zinc/08/68/38/183086838.db2.gz YFSFAYBBTSFCHA-LBPRGKRZSA-N 1 2 303.362 2.623 50 0 DFAALO COc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000040511288 183086840 /nfs/dbraw/zinc/08/68/40/183086840.db2.gz YFSFAYBBTSFCHA-LBPRGKRZSA-N 1 2 303.362 2.623 50 0 DFAALO O=C(NCCCCn1cc[nH+]c1)C1(c2ccc(F)cc2)CC1 ZINC000041509067 183195180 /nfs/dbraw/zinc/19/51/80/183195180.db2.gz NHQYTMROWBGTOZ-UHFFFAOYSA-N 1 2 301.365 2.650 50 0 DFAALO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCCc2ccccc21 ZINC000044935283 183460784 /nfs/dbraw/zinc/46/07/84/183460784.db2.gz ASLAJRKETKKGGJ-QGZVFWFLSA-N 1 2 309.413 2.884 50 0 DFAALO c1cc(-c2noc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cs1 ZINC000106108254 194184916 /nfs/dbraw/zinc/18/49/16/194184916.db2.gz QNHDBFZXKVYGRN-CHWSQXEVSA-N 1 2 305.403 2.942 50 0 DFAALO c1cc(-c2noc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)n2)cs1 ZINC000106108254 194184918 /nfs/dbraw/zinc/18/49/18/194184918.db2.gz 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Cc1csc([C@@H]2C[N@H+](C[C@H](O)c3ccccc3)CCO2)n1 ZINC000065462892 184348933 /nfs/dbraw/zinc/34/89/33/184348933.db2.gz LHSMCXJQBDEULT-GJZGRUSLSA-N 1 2 304.415 2.558 50 0 DFAALO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)c3ccccc3)CCO2)n1 ZINC000065462892 184348934 /nfs/dbraw/zinc/34/89/34/184348934.db2.gz LHSMCXJQBDEULT-GJZGRUSLSA-N 1 2 304.415 2.558 50 0 DFAALO Cc1[nH+]c2n(c1C)CCN(Cc1nc(-c3ccccc3)no1)C2 ZINC000065464725 184349375 /nfs/dbraw/zinc/34/93/75/184349375.db2.gz ZFISUZUQAJHNDH-UHFFFAOYSA-N 1 2 309.373 2.566 50 0 DFAALO Cc1nc(NCCCc2nnc3ccccn32)cc(C(C)C)[nH+]1 ZINC000065406817 184338747 /nfs/dbraw/zinc/33/87/47/184338747.db2.gz RWHQBQJFDNGKTA-UHFFFAOYSA-N 1 2 310.405 2.996 50 0 DFAALO Cc1nc(N(C)CCc2noc(C3CC3)n2)cc(C(C)C)[nH+]1 ZINC000065528313 184360425 /nfs/dbraw/zinc/36/04/25/184360425.db2.gz UUFLUDXIHVHCPR-UHFFFAOYSA-N 1 2 301.394 2.848 50 0 DFAALO C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCN1CCOC1=O ZINC000065950970 184383380 /nfs/dbraw/zinc/38/33/80/184383380.db2.gz KTVNKZKSGUNHTE-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/25/45/08/257254508.db2.gz NZYOCARDYCQXSM-INIZCTEOSA-N 1 2 313.401 2.612 50 0 DFAALO Cn1c(=[NH2+])n(CC(=O)c2ccccc2)cc1-c1ccc(F)cc1 ZINC000334157597 257261679 /nfs/dbraw/zinc/26/16/79/257261679.db2.gz QUCKFXJRUSZMCG-UHFFFAOYSA-N 1 2 309.344 2.995 50 0 DFAALO COc1ccc2[nH+]c(N3CCC(n4cncn4)CC3)c(C)cc2c1 ZINC000091617816 542541704 /nfs/dbraw/zinc/54/17/04/542541704.db2.gz ZNESMCZQBPENGL-UHFFFAOYSA-N 1 2 323.400 2.985 50 0 DFAALO C[C@H](c1nc(COc2ccccc2)no1)[NH+]1CCSCC1 ZINC000091582347 542541887 /nfs/dbraw/zinc/54/18/87/542541887.db2.gz JKRBBQIQADLYJE-GFCCVEGCSA-N 1 2 305.403 2.758 50 0 DFAALO COC[C@H](c1ccccn1)[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000216030379 542874389 /nfs/dbraw/zinc/87/43/89/542874389.db2.gz SFSBXPFMIWVVLG-QGZVFWFLSA-N 1 2 310.401 2.857 50 0 DFAALO COC[C@H](c1ccccn1)[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000216030379 542874395 /nfs/dbraw/zinc/87/43/95/542874395.db2.gz SFSBXPFMIWVVLG-QGZVFWFLSA-N 1 2 310.401 2.857 50 0 DFAALO Cc1cccnc1C[N@H+](C)Cc1cnc(-c2ccccn2)nc1 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DFAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)c1C ZINC000052636191 425885035 /nfs/dbraw/zinc/88/50/35/425885035.db2.gz GBSDIOKUQFOGMK-KRWDZBQOSA-N 1 2 317.477 2.586 50 0 DFAALO CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2cc[nH+]c2)cc1OC ZINC000052693103 425885605 /nfs/dbraw/zinc/88/56/05/425885605.db2.gz OOIFQZPLORWMMW-CHWSQXEVSA-N 1 2 317.389 2.729 50 0 DFAALO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000371757226 150091108 /nfs/dbraw/zinc/09/11/08/150091108.db2.gz MTWZINMWXOVQDC-OAHLLOKOSA-N 1 2 310.353 2.628 50 0 DFAALO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000371757226 150091113 /nfs/dbraw/zinc/09/11/13/150091113.db2.gz MTWZINMWXOVQDC-OAHLLOKOSA-N 1 2 310.353 2.628 50 0 DFAALO CCN1CCN(C(=O)CC2=CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000351957617 286255257 /nfs/dbraw/zinc/25/52/57/286255257.db2.gz HGFTYSMRNDLNLI-OAHLLOKOSA-N 1 2 302.422 2.505 50 0 DFAALO O=C(C[C@@H]1C(=O)OCC[N@@H+]1C1CCCCC1)Nc1ccccc1 ZINC000054253743 425889755 /nfs/dbraw/zinc/88/97/55/425889755.db2.gz OFAPJSYLMOTHNC-MRXNPFEDSA-N 1 2 316.401 2.575 50 0 DFAALO O=C(C[C@@H]1C(=O)OCC[N@H+]1C1CCCCC1)Nc1ccccc1 ZINC000054253743 425889756 /nfs/dbraw/zinc/88/97/56/425889756.db2.gz OFAPJSYLMOTHNC-MRXNPFEDSA-N 1 2 316.401 2.575 50 0 DFAALO Cc1nonc1C[N@@H+]1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000670439925 544040384 /nfs/dbraw/zinc/04/03/84/544040384.db2.gz LYNMGVFQWSZULC-CYBMUJFWSA-N 1 2 305.353 2.808 50 0 DFAALO Cc1nonc1C[N@H+]1CCC[C@@H](COc2cccc(F)c2)C1 ZINC000670439925 544040387 /nfs/dbraw/zinc/04/03/87/544040387.db2.gz LYNMGVFQWSZULC-CYBMUJFWSA-N 1 2 305.353 2.808 50 0 DFAALO CC[C@H](NC(=O)CCCn1nc(C)cc1C)c1[nH]cc(C)[nH+]1 ZINC000670444918 544041266 /nfs/dbraw/zinc/04/12/66/544041266.db2.gz MPVONDSNWYHZOP-AWEZNQCLSA-N 1 2 303.410 2.579 50 0 DFAALO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH+]c[nH]2)c1 ZINC000055327048 425892903 /nfs/dbraw/zinc/89/29/03/425892903.db2.gz RXCOVLNFPXPRRO-UHFFFAOYSA-N 1 2 321.764 2.810 50 0 DFAALO CC(C)OC(=O)c1ccc(Cl)c(NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000055327048 425892904 /nfs/dbraw/zinc/89/29/04/425892904.db2.gz RXCOVLNFPXPRRO-UHFFFAOYSA-N 1 2 321.764 2.810 50 0 DFAALO CCn1ncnc1C[N@@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055327946 425893068 /nfs/dbraw/zinc/89/30/68/425893068.db2.gz RKTFXQZCXHCJTP-MRXNPFEDSA-N 1 2 314.433 2.897 50 0 DFAALO CCn1ncnc1C[N@H+]1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000055327946 425893069 /nfs/dbraw/zinc/89/30/69/425893069.db2.gz RKTFXQZCXHCJTP-MRXNPFEDSA-N 1 2 314.433 2.897 50 0 DFAALO O=C(NCCc1c[nH+]c[nH]1)c1cccc(-c2ccc(O)cc2)c1 ZINC000055413200 425893404 /nfs/dbraw/zinc/89/34/04/425893404.db2.gz GQWKNGOGYHMWEU-UHFFFAOYSA-N 1 2 307.353 2.755 50 0 DFAALO O=C(NCCc1c[nH]c[nH+]1)c1cccc(-c2ccc(O)cc2)c1 ZINC000055413200 425893405 /nfs/dbraw/zinc/89/34/05/425893405.db2.gz GQWKNGOGYHMWEU-UHFFFAOYSA-N 1 2 307.353 2.755 50 0 DFAALO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000057334567 425896498 /nfs/dbraw/zinc/89/64/98/425896498.db2.gz NIRMOQCRVCFQCY-WMZOPIPTSA-N 1 2 315.461 2.504 50 0 DFAALO CC(C)N(Cc1ccccn1)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058343206 425897824 /nfs/dbraw/zinc/89/78/24/425897824.db2.gz WACCKIDUMWFMIK-UHFFFAOYSA-N 1 2 321.384 2.713 50 0 DFAALO O=C(N[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000058430880 425898159 /nfs/dbraw/zinc/89/81/59/425898159.db2.gz DKUQGKKZYNFJEV-FGTMMUONSA-N 1 2 321.424 2.970 50 0 DFAALO O=C(c1ccco1)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000060739830 425898966 /nfs/dbraw/zinc/89/89/66/425898966.db2.gz GGDKZCXVCHVGMW-UHFFFAOYSA-N 1 2 316.426 2.830 50 0 DFAALO CN1CCCc2cc(NC(=O)Cc3cn4ccccc4[nH+]3)ccc21 ZINC000064845383 425902072 /nfs/dbraw/zinc/90/20/72/425902072.db2.gz WFXQZMACGMROPS-UHFFFAOYSA-N 1 2 320.396 2.898 50 0 DFAALO Cc1ccc(C)n1C1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000065428723 425902675 /nfs/dbraw/zinc/90/26/75/425902675.db2.gz YDLSRSBAXPJFKV-UHFFFAOYSA-N 1 2 310.405 2.623 50 0 DFAALO CCc1nc(N2CCN(Cc3cccc(C)c3)C(=O)C2)cc(C)[nH+]1 ZINC000065453413 425902766 /nfs/dbraw/zinc/90/27/66/425902766.db2.gz UITNBWSITAGFHX-UHFFFAOYSA-N 1 2 324.428 2.505 50 0 DFAALO Brc1cccc(Cc2noc(Cn3cc[nH+]c3)n2)c1 ZINC000067376152 425910168 /nfs/dbraw/zinc/91/01/68/425910168.db2.gz WUZSAHNCCABCCK-UHFFFAOYSA-N 1 2 319.162 2.668 50 0 DFAALO Cc1nc(CC(C)C)cc(C(=O)Nc2c[nH+]c3n2CCCC3)n1 ZINC000067588444 425911657 /nfs/dbraw/zinc/91/16/57/425911657.db2.gz VSYUJHXJRNENBB-UHFFFAOYSA-N 1 2 313.405 2.769 50 0 DFAALO COCc1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1 ZINC000067897954 425914469 /nfs/dbraw/zinc/91/44/69/425914469.db2.gz BKMVFCRKCQARJV-UHFFFAOYSA-N 1 2 322.792 2.576 50 0 biogenic,in-vitro DFAALO CC[N@H+](C)[C@@H](C(=O)Nc1nnc(C(C)C)[nH]1)c1ccccc1 ZINC000068344697 425917285 /nfs/dbraw/zinc/91/72/85/425917285.db2.gz MXACZWSSAWTOND-CYBMUJFWSA-N 1 2 301.394 2.560 50 0 DFAALO CC[N@@H+](C)[C@@H](C(=O)Nc1nnc(C(C)C)[nH]1)c1ccccc1 ZINC000068344697 425917286 /nfs/dbraw/zinc/91/72/86/425917286.db2.gz MXACZWSSAWTOND-CYBMUJFWSA-N 1 2 301.394 2.560 50 0 DFAALO CC[N@H+](C)[C@@H](C(=O)Nc1nc(C(C)C)n[nH]1)c1ccccc1 ZINC000068344697 425917287 /nfs/dbraw/zinc/91/72/87/425917287.db2.gz MXACZWSSAWTOND-CYBMUJFWSA-N 1 2 301.394 2.560 50 0 DFAALO CC[N@@H+](C)[C@@H](C(=O)Nc1nc(C(C)C)n[nH]1)c1ccccc1 ZINC000068344697 425917288 /nfs/dbraw/zinc/91/72/88/425917288.db2.gz MXACZWSSAWTOND-CYBMUJFWSA-N 1 2 301.394 2.560 50 0 DFAALO CCOC(=O)C(C)(C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000068603687 425919066 /nfs/dbraw/zinc/91/90/66/425919066.db2.gz HSWGBZNNQWLPSZ-UHFFFAOYSA-N 1 2 310.825 2.804 50 0 DFAALO c1c(CSc2nnnn2-c2ccccc2)[nH+]c2ccccn12 ZINC000000501743 425564245 /nfs/dbraw/zinc/56/42/45/425564245.db2.gz LEMGSOWOFONRGQ-UHFFFAOYSA-N 1 2 308.370 2.602 50 0 DFAALO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NCCCO ZINC000001911124 425589217 /nfs/dbraw/zinc/58/92/17/425589217.db2.gz NSMULAPTEGZMIQ-UHFFFAOYSA-N 1 2 302.374 2.768 50 0 DFAALO Cc1cc(NCCO)nc(-c2ccc(Br)cc2)[nH+]1 ZINC000002493738 425595589 /nfs/dbraw/zinc/59/55/89/425595589.db2.gz DUKPGOOUJNUIOI-UHFFFAOYSA-N 1 2 308.179 2.619 50 0 in-vitro DFAALO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000000255242 425549859 /nfs/dbraw/zinc/54/98/59/425549859.db2.gz VUASKAHXSOQJIX-UHFFFAOYSA-N 1 2 301.371 2.683 50 0 DFAALO COc1cccc(C[N@H+](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000007458410 425644755 /nfs/dbraw/zinc/64/47/55/425644755.db2.gz CXFGNCNCEWFREZ-UHFFFAOYSA-N 1 2 319.792 2.814 50 0 DFAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000007458410 425644759 /nfs/dbraw/zinc/64/47/59/425644759.db2.gz CXFGNCNCEWFREZ-UHFFFAOYSA-N 1 2 319.792 2.814 50 0 DFAALO COc1ccc(C(=O)NCCn2c(C)[nH+]c3ccccc32)cc1 ZINC000008134464 425660890 /nfs/dbraw/zinc/66/08/90/425660890.db2.gz SKMOFUFABBGLPN-UHFFFAOYSA-N 1 2 309.369 2.783 50 0 DFAALO Cc1ccc2[nH+]c(COC(=O)c3ccc4c(c3)OCO4)cn2c1 ZINC000008425168 425668627 /nfs/dbraw/zinc/66/86/27/425668627.db2.gz KCUQTYZZAUTQHG-UHFFFAOYSA-N 1 2 310.309 2.728 50 0 DFAALO Cc1cc(N)nc(SCc2nc(-c3ccsc3)no2)[nH+]1 ZINC000008528987 425671439 /nfs/dbraw/zinc/67/14/39/425671439.db2.gz UKXXGJRNBLAZBZ-UHFFFAOYSA-N 1 2 305.388 2.771 50 0 DFAALO CC(=O)c1cnn(-c2cc(N3CCCC[C@@H]3C)[nH+]c(C)n2)c1C ZINC000005427126 425622773 /nfs/dbraw/zinc/62/27/73/425622773.db2.gz ZGIQVBZDHONTLL-NSHDSACASA-N 1 2 313.405 2.861 50 0 DFAALO Cc1cccc(OCC[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000012772854 425736473 /nfs/dbraw/zinc/73/64/73/425736473.db2.gz OYGRXFWNHXURAY-UHFFFAOYSA-N 1 2 323.396 2.742 50 0 DFAALO Cc1cccc(OCC[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000012772854 425736478 /nfs/dbraw/zinc/73/64/78/425736478.db2.gz OYGRXFWNHXURAY-UHFFFAOYSA-N 1 2 323.396 2.742 50 0 DFAALO C[C@@H](O)c1ccccc1NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000012896569 425741460 /nfs/dbraw/zinc/74/14/60/425741460.db2.gz JDHRSOWRQZDFGD-GFCCVEGCSA-N 1 2 316.426 2.798 50 0 DFAALO C[C@@H](O)c1ccccc1NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000012896569 425741464 /nfs/dbraw/zinc/74/14/64/425741464.db2.gz JDHRSOWRQZDFGD-GFCCVEGCSA-N 1 2 316.426 2.798 50 0 DFAALO COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000012911240 425742222 /nfs/dbraw/zinc/74/22/22/425742222.db2.gz 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/nfs/dbraw/zinc/68/61/44/425686144.db2.gz RIJFCXDOLOUTDK-HNNXBMFYSA-N 1 2 315.373 2.767 50 0 DFAALO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)o1 ZINC000010141987 425697713 /nfs/dbraw/zinc/69/77/13/425697713.db2.gz STOSMRYVJIKMNS-ZDUSSCGKSA-N 1 2 304.365 2.864 50 0 DFAALO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2ccc(F)cc2)o1 ZINC000010141987 425697717 /nfs/dbraw/zinc/69/77/17/425697717.db2.gz STOSMRYVJIKMNS-ZDUSSCGKSA-N 1 2 304.365 2.864 50 0 DFAALO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000010093377 425699103 /nfs/dbraw/zinc/69/91/03/425699103.db2.gz XSZMJKLCXBCWCP-ZDUSSCGKSA-N 1 2 300.427 2.811 50 0 DFAALO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000010093377 425699104 /nfs/dbraw/zinc/69/91/04/425699104.db2.gz XSZMJKLCXBCWCP-ZDUSSCGKSA-N 1 2 300.427 2.811 50 0 DFAALO O=C(Cn1cc[nH+]c1)NCC(c1ccccc1)c1ccccc1 ZINC000010809901 425705430 /nfs/dbraw/zinc/70/54/30/425705430.db2.gz SJKJVJWAOYPJPN-UHFFFAOYSA-N 1 2 305.381 2.831 50 0 DFAALO Cc1cc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)n[nH]1 ZINC000011935120 425716265 /nfs/dbraw/zinc/71/62/65/425716265.db2.gz SJBOTWBTMHTKMJ-IBGZPJMESA-N 1 2 313.445 2.925 50 0 DFAALO Cc1cc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)n[nH]1 ZINC000011935120 425716270 /nfs/dbraw/zinc/71/62/70/425716270.db2.gz SJBOTWBTMHTKMJ-IBGZPJMESA-N 1 2 313.445 2.925 50 0 DFAALO COc1ccc(C[N@H+](Cn2ncn(C)c2=S)C2CC2)cc1 ZINC000014213638 425769239 /nfs/dbraw/zinc/76/92/39/425769239.db2.gz FLIHONZAKMSMCR-UHFFFAOYSA-N 1 2 304.419 2.582 50 0 DFAALO COc1ccc(C[N@@H+](Cn2ncn(C)c2=S)C2CC2)cc1 ZINC000014213638 425769241 /nfs/dbraw/zinc/76/92/41/425769241.db2.gz FLIHONZAKMSMCR-UHFFFAOYSA-N 1 2 304.419 2.582 50 0 DFAALO COC[C@H](C)NC(=O)C[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000015299638 425781859 /nfs/dbraw/zinc/78/18/59/425781859.db2.gz DWWIWVJTFKASAS-JTQLQIEISA-N 1 2 319.232 2.576 50 0 DFAALO COC[C@H](C)NC(=O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000015299638 425781864 /nfs/dbraw/zinc/78/18/64/425781864.db2.gz DWWIWVJTFKASAS-JTQLQIEISA-N 1 2 319.232 2.576 50 0 DFAALO CCC(=O)N1N=C2[C@H]([C@@H]1c1ccc(F)cc1)[NH+]1CCC2CC1 ZINC000020026331 425792716 /nfs/dbraw/zinc/79/27/16/425792716.db2.gz BKPAVWMACJMYOK-DLBZAZTESA-N 1 2 301.365 2.569 50 0 DFAALO CC(C)c1noc([C@H](C)[NH+]2CCN(c3ccc(O)cc3)CC2)n1 ZINC000023053577 425797150 /nfs/dbraw/zinc/79/71/50/425797150.db2.gz OENBFFIPNFDTTQ-ZDUSSCGKSA-N 1 2 316.405 2.782 50 0 DFAALO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(F)cc1F)c1ccco1 ZINC000025051871 425800891 /nfs/dbraw/zinc/80/08/91/425800891.db2.gz HYGAUWQBNKCCFA-LLVKDONJSA-N 1 2 308.328 2.867 50 0 DFAALO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(F)cc1F)c1ccco1 ZINC000025051871 425800894 /nfs/dbraw/zinc/80/08/94/425800894.db2.gz HYGAUWQBNKCCFA-LLVKDONJSA-N 1 2 308.328 2.867 50 0 DFAALO O=C(CCc1cccnc1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025173795 425802814 /nfs/dbraw/zinc/80/28/14/425802814.db2.gz SOQMNIRYOLSZHG-UHFFFAOYSA-N 1 2 306.369 2.898 50 0 DFAALO Cc1scc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000013744916 425760257 /nfs/dbraw/zinc/76/02/57/425760257.db2.gz 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Cc1cccc(C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000032770157 425839596 /nfs/dbraw/zinc/83/95/96/425839596.db2.gz BREJESTVVDBVAA-UHFFFAOYSA-N 1 2 315.442 2.800 50 0 DFAALO NC(=O)c1ccccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000032819312 425839926 /nfs/dbraw/zinc/83/99/26/425839926.db2.gz YMXFNGKHOUCPCO-UHFFFAOYSA-N 1 2 300.749 2.699 50 0 DFAALO Cc1cccc2nc(CSc3[nH+]cc4ccccn43)cc(=O)n12 ZINC000032862380 425840286 /nfs/dbraw/zinc/84/02/86/425840286.db2.gz NJLQKSCLYAOSOX-UHFFFAOYSA-N 1 2 322.393 2.943 50 0 DFAALO O=C(NCCCn1cc[nH+]c1)Nc1nc2c(s1)CCCCC2 ZINC000043606138 425855157 /nfs/dbraw/zinc/85/51/57/425855157.db2.gz DWAVGPHFIKLMRC-UHFFFAOYSA-N 1 2 319.434 2.820 50 0 DFAALO CCCc1noc([C@H](C)[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000044583670 425857136 /nfs/dbraw/zinc/85/71/36/425857136.db2.gz QPSKXKDEWHJUPO-AWEZNQCLSA-N 1 2 300.406 2.905 50 0 DFAALO Cc1nc(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)cs1 ZINC000048229793 425873858 /nfs/dbraw/zinc/87/38/58/425873858.db2.gz NNVGEEMCMLHMTF-SNVBAGLBSA-N 1 2 302.403 2.642 50 0 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CSCCc1ccc(NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000069685492 425953409 /nfs/dbraw/zinc/95/34/09/425953409.db2.gz MXCDWWJKGLGBSI-UHFFFAOYSA-N 1 2 304.419 2.610 50 0 DFAALO O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069917638 425962324 /nfs/dbraw/zinc/96/23/24/425962324.db2.gz DWGFBUBJWRSVSF-GVDBMIGSSA-N 1 2 313.376 2.989 50 0 DFAALO Cc1cc(C)n(C2C[NH+](C[C@H](O)c3ccccc3Cl)C2)n1 ZINC000070005009 425965455 /nfs/dbraw/zinc/96/54/55/425965455.db2.gz ZDRAVNZKHINVFN-INIZCTEOSA-N 1 2 305.809 2.744 50 0 DFAALO c1cn(-c2ccc(SCc3cn4ccccc4n3)nn2)c[nH+]1 ZINC000070688648 425973916 /nfs/dbraw/zinc/97/39/16/425973916.db2.gz QHUDHILNDCLMEI-UHFFFAOYSA-N 1 2 308.370 2.602 50 0 DFAALO Cc1csc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)n1 ZINC000111211881 426037073 /nfs/dbraw/zinc/03/70/73/426037073.db2.gz HCVKWXTUYJUONE-INIZCTEOSA-N 1 2 316.426 2.960 50 0 DFAALO Cc1csc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)n1 ZINC000111211881 426037076 /nfs/dbraw/zinc/03/70/76/426037076.db2.gz HCVKWXTUYJUONE-INIZCTEOSA-N 1 2 316.426 2.960 50 0 DFAALO Cc1csc([C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)n1 ZINC000111211884 426037261 /nfs/dbraw/zinc/03/72/61/426037261.db2.gz HCVKWXTUYJUONE-MRXNPFEDSA-N 1 2 316.426 2.960 50 0 DFAALO Cc1csc([C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)n1 ZINC000111211884 426037262 /nfs/dbraw/zinc/03/72/62/426037262.db2.gz HCVKWXTUYJUONE-MRXNPFEDSA-N 1 2 316.426 2.960 50 0 DFAALO CN(c1ccc[nH+]c1N1CCCC1)S(=O)(=O)c1cccs1 ZINC000075094019 426062751 /nfs/dbraw/zinc/06/27/51/426062751.db2.gz ROOFUEVKLUKJAK-UHFFFAOYSA-N 1 2 323.443 2.568 50 0 DFAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nnc(C2CC2)o1 ZINC000075132424 426063755 /nfs/dbraw/zinc/06/37/55/426063755.db2.gz QQRVXOGPPLQAHG-ZDUSSCGKSA-N 1 2 301.394 2.634 50 0 DFAALO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)o1 ZINC000075132424 426063758 /nfs/dbraw/zinc/06/37/58/426063758.db2.gz QQRVXOGPPLQAHG-ZDUSSCGKSA-N 1 2 301.394 2.634 50 0 DFAALO O=C([C@H]1CCCc2c3ccccc3[nH]c21)N1CCn2c[nH+]cc2C1 ZINC000072133203 426010434 /nfs/dbraw/zinc/01/04/34/426010434.db2.gz DKZUGSQFHOFFFZ-INIZCTEOSA-N 1 2 320.396 2.827 50 0 DFAALO CCc1nnc([C@H](C)[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000072299976 426014048 /nfs/dbraw/zinc/01/40/48/426014048.db2.gz KUWVUGJFXXNHRM-JQWIXIFHSA-N 1 2 317.393 2.833 50 0 DFAALO CCc1nnc([C@H](C)[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)o1 ZINC000072299976 426014052 /nfs/dbraw/zinc/01/40/52/426014052.db2.gz KUWVUGJFXXNHRM-JQWIXIFHSA-N 1 2 317.393 2.833 50 0 DFAALO Cc1nc(CC[NH+]2CCN(C(=O)c3cccs3)CC2)cs1 ZINC000163406069 426099082 /nfs/dbraw/zinc/09/90/82/426099082.db2.gz CPGSQIDLXCAQRS-UHFFFAOYSA-N 1 2 321.471 2.514 50 0 DFAALO CC[N@@H+](Cc1noc(C)n1)CC1CCN(c2ccccn2)CC1 ZINC000076108411 426100359 /nfs/dbraw/zinc/10/03/59/426100359.db2.gz ABVWZBAVXPUSFT-UHFFFAOYSA-N 1 2 315.421 2.512 50 0 DFAALO CC[N@H+](Cc1noc(C)n1)CC1CCN(c2ccccn2)CC1 ZINC000076108411 426100364 /nfs/dbraw/zinc/10/03/64/426100364.db2.gz ABVWZBAVXPUSFT-UHFFFAOYSA-N 1 2 315.421 2.512 50 0 DFAALO COCC[C@@H](C)NC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000077445532 426134279 /nfs/dbraw/zinc/13/42/79/426134279.db2.gz XRSFRUWKPOTECE-GFCCVEGCSA-N 1 2 302.378 2.634 50 0 DFAALO COCc1nc(C[N@@H+]2CCN(C)c3ccccc3C2)cs1 ZINC000075712309 426081451 /nfs/dbraw/zinc/08/14/51/426081451.db2.gz PAVRBNHCZYWFAI-UHFFFAOYSA-N 1 2 303.431 2.742 50 0 DFAALO COCc1nc(C[N@H+]2CCN(C)c3ccccc3C2)cs1 ZINC000075712309 426081454 /nfs/dbraw/zinc/08/14/54/426081454.db2.gz PAVRBNHCZYWFAI-UHFFFAOYSA-N 1 2 303.431 2.742 50 0 DFAALO Cn1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000077564459 426140248 /nfs/dbraw/zinc/14/02/48/426140248.db2.gz CWUGHNFFHFKODN-CYBMUJFWSA-N 1 2 308.385 2.921 50 0 DFAALO COc1ccc(OC(C)C)c(NC(=O)NCCn2cc[nH+]c2)c1 ZINC000078611645 426177174 /nfs/dbraw/zinc/17/71/74/426177174.db2.gz AWMRUDZPXPUKOQ-UHFFFAOYSA-N 1 2 318.377 2.501 50 0 DFAALO CC(C)c1cc(NC[C@H]2CCS(=O)(=O)C2)nc(C(C)C)[nH+]1 ZINC000089893318 426316008 /nfs/dbraw/zinc/31/60/08/426316008.db2.gz LSHFOTNEFCNXIQ-GFCCVEGCSA-N 1 2 311.451 2.570 50 0 DFAALO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)s1 ZINC000152337276 426338992 /nfs/dbraw/zinc/33/89/92/426338992.db2.gz BBWMAXOZUDYIDV-SNVBAGLBSA-N 1 2 307.806 2.805 50 0 DFAALO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(=O)c(O)co1)CCC2 ZINC000089295770 426285808 /nfs/dbraw/zinc/28/58/08/426285808.db2.gz WNEHNQRUUBBWIA-GFCCVEGCSA-N 1 2 320.414 2.874 50 0 DFAALO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(=O)c(O)co1)CCC2 ZINC000089295770 426285811 /nfs/dbraw/zinc/28/58/11/426285811.db2.gz WNEHNQRUUBBWIA-GFCCVEGCSA-N 1 2 320.414 2.874 50 0 DFAALO COCCc1nc([C@@H](C)n2cc[nH+]c2)n(C2CCCCC2)n1 ZINC000096138034 426400314 /nfs/dbraw/zinc/40/03/14/426400314.db2.gz SSVQDQJBXPMTHX-CYBMUJFWSA-N 1 2 303.410 2.778 50 0 DFAALO C[C@H](O)c1cccc(N(C)Cc2cnn(-c3ccccc3)c2)[nH+]1 ZINC000096164187 426403847 /nfs/dbraw/zinc/40/38/47/426403847.db2.gz PQMGPUIKRMFAEO-AWEZNQCLSA-N 1 2 308.385 2.957 50 0 DFAALO Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095352371 426366647 /nfs/dbraw/zinc/36/66/47/426366647.db2.gz ILAPMKHCOUVBKY-KRWDZBQOSA-N 1 2 313.401 2.769 50 0 DFAALO Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095352371 426366649 /nfs/dbraw/zinc/36/66/49/426366649.db2.gz ILAPMKHCOUVBKY-KRWDZBQOSA-N 1 2 313.401 2.769 50 0 DFAALO CCCc1nnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)o1 ZINC000095357050 426366793 /nfs/dbraw/zinc/36/67/93/426366793.db2.gz LFDDEDPBJAAYOT-UHFFFAOYSA-N 1 2 320.824 2.998 50 0 DFAALO O=C1COc2cccnc2N1Cc1c[nH+]cn1C1CCCCC1 ZINC000095362667 426368680 /nfs/dbraw/zinc/36/86/80/426368680.db2.gz ZOOLTLHVFZCARE-UHFFFAOYSA-N 1 2 312.373 2.709 50 0 DFAALO O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000153078870 426369187 /nfs/dbraw/zinc/36/91/87/426369187.db2.gz FQLGUPGOOROXNT-HNNXBMFYSA-N 1 2 320.396 2.501 50 0 DFAALO O=C([O-])c1cccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)c1 ZINC000095372035 426369828 /nfs/dbraw/zinc/36/98/28/426369828.db2.gz UAJNCSQWUGDDTK-KRWDZBQOSA-N 1 2 313.401 2.851 50 0 DFAALO 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ZINC000091326652 193040656 /nfs/dbraw/zinc/04/06/56/193040656.db2.gz FHQJMYUKPAYALL-UHFFFAOYSA-N 1 2 304.419 2.513 50 0 DFAALO O=c1cc(C[N@@H+]2CCOC3(CCCC3)C2)[nH]c2c(F)cccc12 ZINC000091665740 193087525 /nfs/dbraw/zinc/08/75/25/193087525.db2.gz NQSWJYCPTCWEDW-UHFFFAOYSA-N 1 2 316.376 2.812 50 0 DFAALO O=c1cc(C[N@H+]2CCOC3(CCCC3)C2)[nH]c2c(F)cccc12 ZINC000091665740 193087527 /nfs/dbraw/zinc/08/75/27/193087527.db2.gz NQSWJYCPTCWEDW-UHFFFAOYSA-N 1 2 316.376 2.812 50 0 DFAALO Cc1csc(NC(=O)NCc2cn3cccc(C)c3[nH+]2)n1 ZINC000091627668 193081454 /nfs/dbraw/zinc/08/14/54/193081454.db2.gz SLCNHGALMSVENP-UHFFFAOYSA-N 1 2 301.375 2.729 50 0 DFAALO Cc1nnc(CNc2cc(C)[nH+]c(Nc3cccc(O)c3)n2)o1 ZINC000091847645 193116904 /nfs/dbraw/zinc/11/69/04/193116904.db2.gz PUZOZYRYKYLQPK-UHFFFAOYSA-N 1 2 312.333 2.538 50 0 DFAALO COCC[C@]1(O)CCN(c2cc(C(F)(F)F)cc[nH+]2)C[C@H]1C ZINC000091872749 193121371 /nfs/dbraw/zinc/12/13/71/193121371.db2.gz SUNYPVPJEKKLFX-BXUZGUMPSA-N 1 2 318.339 2.714 50 0 DFAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2sc(C)nc2C)C1 ZINC000091877243 193122125 /nfs/dbraw/zinc/12/21/25/193122125.db2.gz DVXCQIJSKMSHGW-ZDUSSCGKSA-N 1 2 318.446 2.996 50 0 DFAALO CCCCS(=O)(=O)N1CCC(c2[nH+]ccn2C(C)C)CC1 ZINC000092045506 193147207 /nfs/dbraw/zinc/14/72/07/193147207.db2.gz URYDEEJROFQBOD-UHFFFAOYSA-N 1 2 313.467 2.773 50 0 DFAALO C[C@H](CS(C)(=O)=O)[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000093384807 193242414 /nfs/dbraw/zinc/24/24/14/193242414.db2.gz PVWBYOAEDIUMEO-LLVKDONJSA-N 1 2 303.493 2.911 50 0 DFAALO C[C@H](CS(C)(=O)=O)[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000093384807 193242415 /nfs/dbraw/zinc/24/24/15/193242415.db2.gz PVWBYOAEDIUMEO-LLVKDONJSA-N 1 2 303.493 2.911 50 0 DFAALO Cc1ccccc1N1CCC[N@H+](Cc2nc(C3CC3)no2)CC1 ZINC000012448891 181764191 /nfs/dbraw/zinc/76/41/91/181764191.db2.gz PDZRRYHUQXBJSF-UHFFFAOYSA-N 1 2 312.417 2.968 50 0 DFAALO Cc1ccccc1N1CCC[N@@H+](Cc2nc(C3CC3)no2)CC1 ZINC000012448891 181764193 /nfs/dbraw/zinc/76/41/93/181764193.db2.gz PDZRRYHUQXBJSF-UHFFFAOYSA-N 1 2 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ZINC000020418392 182215673 /nfs/dbraw/zinc/21/56/73/182215673.db2.gz UYVLAMKHUIAUKH-UHFFFAOYSA-N 1 2 324.424 2.962 50 0 DFAALO CCOCCCNc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000020661931 182242122 /nfs/dbraw/zinc/24/21/22/182242122.db2.gz SIZPGWWMPXGVOB-UHFFFAOYSA-N 1 2 315.352 2.793 50 0 DFAALO CN(Cc1c(F)cccc1Cl)c1[nH+]cnc2c1cnn2C ZINC000021996720 182303026 /nfs/dbraw/zinc/30/30/26/182303026.db2.gz CKDMLBZTJAKBRE-UHFFFAOYSA-N 1 2 305.744 2.792 50 0 DFAALO CC(=O)Nc1nc(C[N@H+](C)CCOc2ccccc2)cs1 ZINC000023706368 182367117 /nfs/dbraw/zinc/36/71/17/182367117.db2.gz APMJJMCIRHGANK-UHFFFAOYSA-N 1 2 305.403 2.612 50 0 DFAALO CC(=O)Nc1nc(C[N@@H+](C)CCOc2ccccc2)cs1 ZINC000023706368 182367118 /nfs/dbraw/zinc/36/71/18/182367118.db2.gz APMJJMCIRHGANK-UHFFFAOYSA-N 1 2 305.403 2.612 50 0 DFAALO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000023320240 182357514 /nfs/dbraw/zinc/35/75/14/182357514.db2.gz ZLFRVAYAWBORAS-IAGOWNOFSA-N 1 2 323.371 2.936 50 0 DFAALO C[N@@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023381431 182359510 /nfs/dbraw/zinc/35/95/10/182359510.db2.gz QVXAYSNAIPMNNT-UHFFFAOYSA-N 1 2 315.417 2.721 50 0 DFAALO C[N@H+](Cc1ccccc1)CN1C(=O)NC2(CCCCCC2)C1=O ZINC000023381431 182359511 /nfs/dbraw/zinc/35/95/11/182359511.db2.gz QVXAYSNAIPMNNT-UHFFFAOYSA-N 1 2 315.417 2.721 50 0 DFAALO CC(C)C[C@H]1NC(=O)N(C[N@H+](C)Cc2ccc(Cl)cc2)C1=O ZINC000023624773 182364409 /nfs/dbraw/zinc/36/44/09/182364409.db2.gz NQGVPNNEXKHJSL-CQSZACIVSA-N 1 2 323.824 2.696 50 0 DFAALO CC(C)C[C@H]1NC(=O)N(C[N@@H+](C)Cc2ccc(Cl)cc2)C1=O ZINC000023624773 182364411 /nfs/dbraw/zinc/36/44/11/182364411.db2.gz NQGVPNNEXKHJSL-CQSZACIVSA-N 1 2 323.824 2.696 50 0 DFAALO CCCCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1 ZINC000029723270 182575198 /nfs/dbraw/zinc/57/51/98/182575198.db2.gz ZJOSKDYNKXFFLE-HNNXBMFYSA-N 1 2 316.405 2.617 50 0 DFAALO CCCCn1nnnc1C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000040038982 183029209 /nfs/dbraw/zinc/02/92/09/183029209.db2.gz 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CCOCC(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000044225025 183398434 /nfs/dbraw/zinc/39/84/34/183398434.db2.gz HVNCIGBMHVCVFB-UHFFFAOYSA-N 1 2 315.417 2.989 50 0 DFAALO Cc1ccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)s1 ZINC000044968266 183468471 /nfs/dbraw/zinc/46/84/71/183468471.db2.gz QSIQJPAYZDGJLT-UHFFFAOYSA-N 1 2 304.419 2.517 50 0 DFAALO CC(C)(C)OC(=O)NC(C)(C)c1noc(C[NH+]2CCCCC2)n1 ZINC000058192156 184085986 /nfs/dbraw/zinc/08/59/86/184085986.db2.gz WTDWYGIBPRIACY-UHFFFAOYSA-N 1 2 324.425 2.815 50 0 DFAALO Cc1cc(NCc2ccc(C(N)=O)cc2)nc(-c2ccncc2)[nH+]1 ZINC000058216274 184089375 /nfs/dbraw/zinc/08/93/75/184089375.db2.gz ZZILZQPXFMAKLP-UHFFFAOYSA-N 1 2 319.368 2.558 50 0 DFAALO CS[C@H](C)C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000058266180 184096751 /nfs/dbraw/zinc/09/67/51/184096751.db2.gz QQVDFUCCMJWNMZ-CYBMUJFWSA-N 1 2 310.438 2.612 50 0 DFAALO CS[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000058266180 184096752 /nfs/dbraw/zinc/09/67/52/184096752.db2.gz QQVDFUCCMJWNMZ-CYBMUJFWSA-N 1 2 310.438 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/nfs/dbraw/zinc/61/48/06/398614806.db2.gz YPDASIOSBRNIDJ-UHFFFAOYSA-N 1 2 311.345 2.660 50 0 DFAALO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1N ZINC000072163094 191063667 /nfs/dbraw/zinc/06/36/67/191063667.db2.gz DUEVIQYMOCLKBU-UHFFFAOYSA-N 1 2 311.364 2.621 50 0 DFAALO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccnc1N ZINC000072163094 191063669 /nfs/dbraw/zinc/06/36/69/191063669.db2.gz DUEVIQYMOCLKBU-UHFFFAOYSA-N 1 2 311.364 2.621 50 0 DFAALO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3nnc(C4CC4)o3)C2)no1 ZINC000072279289 191100292 /nfs/dbraw/zinc/10/02/92/191100292.db2.gz RCNNOYFYFPRZMV-GFCCVEGCSA-N 1 2 317.393 2.833 50 0 DFAALO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3nnc(C4CC4)o3)C2)no1 ZINC000072279289 191100294 /nfs/dbraw/zinc/10/02/94/191100294.db2.gz RCNNOYFYFPRZMV-GFCCVEGCSA-N 1 2 317.393 2.833 50 0 DFAALO COc1ccc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1Cl ZINC000072281369 191101859 /nfs/dbraw/zinc/10/18/59/191101859.db2.gz UVMCOIQIJXPFGS-UHFFFAOYSA-N 1 2 312.778 2.853 50 0 DFAALO O=C(CCc1ccccc1F)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152656169 186094442 /nfs/dbraw/zinc/09/44/42/186094442.db2.gz WVVBUBJRTAGMDQ-OAHLLOKOSA-N 1 2 313.376 2.548 50 0 DFAALO Cc1ccc(NC(=O)C(=O)Nc2ccccc2-n2cc[nH+]c2)cc1 ZINC000072286794 191106342 /nfs/dbraw/zinc/10/63/42/191106342.db2.gz MVUCNLNHNQFUSD-UHFFFAOYSA-N 1 2 320.352 2.758 50 0 DFAALO O=C(Nc1ccnn1-c1cccc(F)c1)c1ccc2[nH+]ccn2c1 ZINC000183896436 186228351 /nfs/dbraw/zinc/22/83/51/186228351.db2.gz BVLUBMJLOCELEF-UHFFFAOYSA-N 1 2 321.315 2.911 50 0 DFAALO C[C@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000253396998 186306009 /nfs/dbraw/zinc/30/60/09/186306009.db2.gz SPGRBYHMIVNJFD-RDJZCZTQSA-N 1 2 322.416 2.547 50 0 DFAALO O[C@H](CN1CCc2c([nH+]cn2C2CC2)C1)c1ccc(F)cc1F ZINC000095373354 398657581 /nfs/dbraw/zinc/65/75/81/398657581.db2.gz LXMJQCVXJCOSDA-QGZVFWFLSA-N 1 2 319.355 2.588 50 0 DFAALO CC[C@H]1OCCC[C@H]1C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000277217698 213374386 /nfs/dbraw/zinc/37/43/86/213374386.db2.gz 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/nfs/dbraw/zinc/83/37/98/398833798.db2.gz HRUYATHSSMXVMC-UHFFFAOYSA-N 1 2 318.340 2.680 50 0 DFAALO CSc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1F ZINC000076081880 398838414 /nfs/dbraw/zinc/83/84/14/398838414.db2.gz GUAFLQXSAUMCQR-UHFFFAOYSA-N 1 2 308.382 2.956 50 0 DFAALO COc1cccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000132786628 398858086 /nfs/dbraw/zinc/85/80/86/398858086.db2.gz HXUUORONXXWFMT-CQSZACIVSA-N 1 2 301.390 2.677 50 0 DFAALO COc1cccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000132786628 398858090 /nfs/dbraw/zinc/85/80/90/398858090.db2.gz HXUUORONXXWFMT-CQSZACIVSA-N 1 2 301.390 2.677 50 0 DFAALO Nc1ccc(-c2c(N)nc(N)[nH+]c2COCc2ccccc2)cc1 ZINC000137061105 398875794 /nfs/dbraw/zinc/87/57/94/398875794.db2.gz UQXDHNSEQANWGJ-UHFFFAOYSA-N 1 2 321.384 2.607 50 0 DFAALO C[C@H]1SCC[N@H+](Cc2nnnn2C2CC2)[C@H]1c1ccccc1 ZINC000071911184 291261823 /nfs/dbraw/zinc/26/18/23/291261823.db2.gz ROWPSYLABAHKFJ-MLGOLLRUSA-N 1 2 315.446 2.687 50 0 DFAALO C[C@H]1SCC[N@@H+](Cc2nnnn2C2CC2)[C@H]1c1ccccc1 ZINC000071911184 291261826 /nfs/dbraw/zinc/26/18/26/291261826.db2.gz ROWPSYLABAHKFJ-MLGOLLRUSA-N 1 2 315.446 2.687 50 0 DFAALO CC(C)[NH+](CCn1c(=O)c2ccccc2[nH]c1=S)C(C)C ZINC000006459396 181342943 /nfs/dbraw/zinc/34/29/43/181342943.db2.gz WUYOVKIGEHVBOF-UHFFFAOYSA-N 1 2 305.447 2.804 50 0 DFAALO COc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2OC)c1 ZINC000006590470 181358765 /nfs/dbraw/zinc/35/87/65/181358765.db2.gz QAEGOIJMINLSLZ-UHFFFAOYSA-N 1 2 314.385 2.774 50 0 DFAALO COc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2OC)c1 ZINC000006590470 181358766 /nfs/dbraw/zinc/35/87/66/181358766.db2.gz QAEGOIJMINLSLZ-UHFFFAOYSA-N 1 2 314.385 2.774 50 0 DFAALO Cc1ccc2[nH+]c(CSc3nc4nc(C)cc(C)n4n3)cn2c1 ZINC000006608380 181360907 /nfs/dbraw/zinc/36/09/07/181360907.db2.gz SGCCTFIVQOJNMB-UHFFFAOYSA-N 1 2 324.413 2.990 50 0 DFAALO C[C@H](Nc1[nH+]cnc2c1cnn2-c1ccccc1)c1ncc[nH]1 ZINC000170597556 399008299 /nfs/dbraw/zinc/00/82/99/399008299.db2.gz MHDFQSUCEFGVEX-NSHDSACASA-N 1 2 305.345 2.712 50 0 DFAALO CC(=O)Nc1ccc2c(c1)nc(Cn1cc[nH+]c1)n2CC(C)C ZINC000006665171 181367174 /nfs/dbraw/zinc/36/71/74/181367174.db2.gz DTYIRLHXGCTQCB-UHFFFAOYSA-N 1 2 311.389 2.896 50 0 DFAALO CN(CCCc1[nH+]ccn1C)C(=O)C[C@H]1CCc2ccccc21 ZINC000091365043 193046362 /nfs/dbraw/zinc/04/63/62/193046362.db2.gz JUIPZQFKKNXUON-MRXNPFEDSA-N 1 2 311.429 2.931 50 0 DFAALO CCC[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC000091594121 193077783 /nfs/dbraw/zinc/07/77/83/193077783.db2.gz QRSCHNAJDXPELQ-RHSMWYFYSA-N 1 2 320.433 2.677 50 0 DFAALO CCC[C@@H]1C[N@H+](C2CC[NH+](Cc3ccco3)CC2)C[C@H]1C(=O)[O-] ZINC000091594121 193077785 /nfs/dbraw/zinc/07/77/85/193077785.db2.gz QRSCHNAJDXPELQ-RHSMWYFYSA-N 1 2 320.433 2.677 50 0 DFAALO CCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1 ZINC000091474185 193061451 /nfs/dbraw/zinc/06/14/51/193061451.db2.gz AOTPYYJZSQJAAE-HNNXBMFYSA-N 1 2 313.401 2.557 50 0 DFAALO C[NH+](C)[C@H](C(=O)N1CCOC2(CCCC2)C1)c1ccccc1F ZINC000091944002 193129682 /nfs/dbraw/zinc/12/96/82/193129682.db2.gz 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/nfs/dbraw/zinc/05/22/07/182052207.db2.gz PWIHONLIUNWBEY-UHFFFAOYSA-N 1 2 304.415 2.916 50 0 DFAALO CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017269072 182080592 /nfs/dbraw/zinc/08/05/92/182080592.db2.gz SQGCNWJYWREDCE-NSHDSACASA-N 1 2 317.780 2.652 50 0 DFAALO CSc1ccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000019787539 182148095 /nfs/dbraw/zinc/14/80/95/182148095.db2.gz LBUNEGNHIQIYDL-UHFFFAOYSA-N 1 2 316.426 2.960 50 0 DFAALO COC(=O)[C@@H]1C[C@H](Oc2cc(C)c(Cl)c(C)c2Cl)C[NH2+]1 ZINC000019735855 182140319 /nfs/dbraw/zinc/14/03/19/182140319.db2.gz ILLSBEGHCONTKT-UWVGGRQHSA-N 1 2 318.200 2.893 50 0 DFAALO CCn1ncc(C)c1NC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CC ZINC000019798625 182150883 /nfs/dbraw/zinc/15/08/83/182150883.db2.gz WVAARNDVGYYSHD-MRXNPFEDSA-N 1 2 312.417 2.597 50 0 DFAALO CCn1ncc(C)c1NC(=O)[C@H]1Cc2ccccc2C[N@H+]1CC ZINC000019798625 182150884 /nfs/dbraw/zinc/15/08/84/182150884.db2.gz WVAARNDVGYYSHD-MRXNPFEDSA-N 1 2 312.417 2.597 50 0 DFAALO c1ccc(-c2cc(SCC[NH+]3CCOCC3)ncn2)cc1 ZINC000019820860 182154081 /nfs/dbraw/zinc/15/40/81/182154081.db2.gz FAYHFICSSJUXFQ-UHFFFAOYSA-N 1 2 301.415 2.568 50 0 DFAALO CC[NH+](CC)CCn1c(=O)c2ccc(Cl)cc2[nH]c1=S ZINC000020645210 182241474 /nfs/dbraw/zinc/24/14/74/182241474.db2.gz BXUWOSHGIIGZIJ-UHFFFAOYSA-N 1 2 311.838 2.680 50 0 DFAALO Cc1ccc(Cl)c(OCCOCC[NH+]2CCOCC2)c1C ZINC000020652962 182241797 /nfs/dbraw/zinc/24/17/97/182241797.db2.gz IGRGESXHZPRVEX-UHFFFAOYSA-N 1 2 313.825 2.684 50 0 DFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000020662034 182242218 /nfs/dbraw/zinc/24/22/18/182242218.db2.gz WCGYJXOGJRFTJW-CQSZACIVSA-N 1 2 309.373 2.715 50 0 DFAALO Cc1csc(C[N@@H+](C)Cc2cc3c([nH]c2=O)CCCC3)n1 ZINC000020906113 182253648 /nfs/dbraw/zinc/25/36/48/182253648.db2.gz OAVDWFREMVPZKD-UHFFFAOYSA-N 1 2 303.431 2.651 50 0 DFAALO Cc1csc(C[N@H+](C)Cc2cc3c([nH]c2=O)CCCC3)n1 ZINC000020906113 182253649 /nfs/dbraw/zinc/25/36/49/182253649.db2.gz OAVDWFREMVPZKD-UHFFFAOYSA-N 1 2 303.431 2.651 50 0 DFAALO 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426380809 /nfs/dbraw/zinc/38/08/09/426380809.db2.gz GYROTZVUWRTOTB-UHFFFAOYSA-N 1 2 303.435 2.816 50 0 DFAALO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)[C@@H](O)Cc1ccccc1 ZINC000095978593 426381466 /nfs/dbraw/zinc/38/14/66/426381466.db2.gz AJNGWHGRVUEFDY-WBMJQRKESA-N 1 2 308.385 2.616 50 0 DFAALO Cc1ncc(CO)c(C[N@H+](C)Cc2ccccc2Cl)c1O ZINC000096006918 426387334 /nfs/dbraw/zinc/38/73/34/426387334.db2.gz NMSBMOPULAVXEC-UHFFFAOYSA-N 1 2 306.793 2.873 50 0 DFAALO Cc1ncc(CO)c(C[N@@H+](C)Cc2ccccc2Cl)c1O ZINC000096006918 426387337 /nfs/dbraw/zinc/38/73/37/426387337.db2.gz NMSBMOPULAVXEC-UHFFFAOYSA-N 1 2 306.793 2.873 50 0 DFAALO CCCn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H](O)C2)c1 ZINC000096009319 426388040 /nfs/dbraw/zinc/38/80/40/426388040.db2.gz LBIIULNUCZBEFJ-HNNXBMFYSA-N 1 2 314.389 2.559 50 0 DFAALO CCc1ccc([C@@H]2COCC[N@@H+]2CCCc2cnn(C)c2)o1 ZINC000096413002 426417050 /nfs/dbraw/zinc/41/70/50/426417050.db2.gz GBRLWLVAIHIEDV-INIZCTEOSA-N 1 2 303.406 2.582 50 0 DFAALO CCc1ccc([C@@H]2COCC[N@H+]2CCCc2cnn(C)c2)o1 ZINC000096413002 426417052 /nfs/dbraw/zinc/41/70/52/426417052.db2.gz GBRLWLVAIHIEDV-INIZCTEOSA-N 1 2 303.406 2.582 50 0 DFAALO CSC[C@H](C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000096413895 426417090 /nfs/dbraw/zinc/41/70/90/426417090.db2.gz MPEJVRAUHJPQNU-AWEZNQCLSA-N 1 2 322.474 2.765 50 0 DFAALO CCc1noc(C[N@@H+]2CCC[C@@H](COc3ccccc3)C2)n1 ZINC000096411360 426417133 /nfs/dbraw/zinc/41/71/33/426417133.db2.gz ZHLRXDDPLOPRJK-CQSZACIVSA-N 1 2 301.390 2.923 50 0 DFAALO CCc1noc(C[N@H+]2CCC[C@@H](COc3ccccc3)C2)n1 ZINC000096411360 426417136 /nfs/dbraw/zinc/41/71/36/426417136.db2.gz ZHLRXDDPLOPRJK-CQSZACIVSA-N 1 2 301.390 2.923 50 0 DFAALO CCc1cc(N[C@H](C)[C@H](CO)SC)nc(-c2ccncc2)[nH+]1 ZINC000096417327 426418669 /nfs/dbraw/zinc/41/86/69/426418669.db2.gz NOUNULQQCVKHKM-RISCZKNCSA-N 1 2 318.446 2.625 50 0 DFAALO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nnc(C3CC3)n2C)C12CCCC2 ZINC000096419703 426419774 /nfs/dbraw/zinc/41/97/74/426419774.db2.gz 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/nfs/dbraw/zinc/43/49/85/426434985.db2.gz KWJWMPDEXFEZTA-GFCCVEGCSA-N 1 2 320.462 2.676 50 0 DFAALO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000096483214 426434988 /nfs/dbraw/zinc/43/49/88/426434988.db2.gz KWJWMPDEXFEZTA-GFCCVEGCSA-N 1 2 320.462 2.676 50 0 DFAALO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(F)c1 ZINC000097038628 426441455 /nfs/dbraw/zinc/44/14/55/426441455.db2.gz NYGYPRQOBAZUIY-AWEZNQCLSA-N 1 2 318.396 2.528 50 0 DFAALO Fc1ccccc1COC1CC[NH+](Cc2csnn2)CC1 ZINC000097051433 426443846 /nfs/dbraw/zinc/44/38/46/426443846.db2.gz GMKXIHZSHISFRW-UHFFFAOYSA-N 1 2 307.394 2.858 50 0 DFAALO CC[C@@H]([NH2+]Cc1csc(NC(C)=O)n1)c1c(C)noc1C ZINC000097111124 426450457 /nfs/dbraw/zinc/45/04/57/426450457.db2.gz GWRRIMVEVOHLAI-GFCCVEGCSA-N 1 2 308.407 2.947 50 0 DFAALO Cn1cnc(-c2cccc(NCc3c[nH+]c4ccccn34)c2)n1 ZINC000097100363 426448452 /nfs/dbraw/zinc/44/84/52/426448452.db2.gz WUVZLJHSXGJSOK-UHFFFAOYSA-N 1 2 304.357 2.742 50 0 DFAALO Cc1c(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)cnn1C 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CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)Cc1ccsc1)C2 ZINC000097199034 426458029 /nfs/dbraw/zinc/45/80/29/426458029.db2.gz UIKBEVFRXCOHSF-CYBMUJFWSA-N 1 2 317.458 2.916 50 0 DFAALO Clc1snnc1CN1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200600 426458157 /nfs/dbraw/zinc/45/81/57/426458157.db2.gz PSFBSMRFLHIZAL-SNVBAGLBSA-N 1 2 309.826 2.521 50 0 DFAALO COc1ccc(-c2cnc(CN3CCn4cc[nH+]c4C3)o2)cc1 ZINC000097201248 426458696 /nfs/dbraw/zinc/45/86/96/426458696.db2.gz PIBWOEHCMYAGMF-UHFFFAOYSA-N 1 2 310.357 2.563 50 0 DFAALO Nc1[nH+]cnc(NC[C@@H]2CCN(c3ccccc3)C2)c1Cl ZINC000097238105 426461204 /nfs/dbraw/zinc/46/12/04/426461204.db2.gz LTPGVVVEHWNTFX-NSHDSACASA-N 1 2 303.797 2.651 50 0 DFAALO c1coc(C[NH+]2CCC(c3n[nH]c(C4CCOCC4)n3)CC2)c1 ZINC000097514441 426469213 /nfs/dbraw/zinc/46/92/13/426469213.db2.gz MCCMHANSJZXGRH-UHFFFAOYSA-N 1 2 316.405 2.671 50 0 DFAALO CC(=O)c1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC000097522107 426469373 /nfs/dbraw/zinc/46/93/73/426469373.db2.gz GSOGSUXCODVNMB-AWEZNQCLSA-N 1 2 319.430 2.992 50 0 DFAALO CN1C[C@H](C[N@H+](C)Cc2c(Cl)ccc(O)c2Cl)CC1=O ZINC000097766222 426474065 /nfs/dbraw/zinc/47/40/65/426474065.db2.gz FIAVINVWPCMUNC-VIFPVBQESA-N 1 2 317.216 2.609 50 0 DFAALO CN1C[C@H](C[N@@H+](C)Cc2c(Cl)ccc(O)c2Cl)CC1=O ZINC000097766222 426474066 /nfs/dbraw/zinc/47/40/66/426474066.db2.gz FIAVINVWPCMUNC-VIFPVBQESA-N 1 2 317.216 2.609 50 0 DFAALO O=C(CC1=CSC2=[NH+]CCCN12)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000101879361 426486790 /nfs/dbraw/zinc/48/67/90/426486790.db2.gz FSZYPNUFRAVOSI-UBHSHLNASA-N 1 2 305.447 2.721 50 0 DFAALO CC[C@H]1C[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)CCO1 ZINC000215202025 426550517 /nfs/dbraw/zinc/55/05/17/426550517.db2.gz HFLIDOKXLIXXGJ-INIZCTEOSA-N 1 2 313.401 2.763 50 0 DFAALO Cc1nc(C)c(CC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)s1 ZINC000215594351 426553099 /nfs/dbraw/zinc/55/30/99/426553099.db2.gz DWCWITUKRISFAJ-AWEZNQCLSA-N 1 2 320.462 2.730 50 0 DFAALO Cc1c(C[N@H+](C)Cc2cnn(-c3ccc(C)cc3)c2)cnn1C ZINC000215309135 426553406 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COc1ccccc1CCC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000223134755 426586690 /nfs/dbraw/zinc/58/66/90/426586690.db2.gz VLYHNOKBWFMZKS-KRWDZBQOSA-N 1 2 313.401 2.629 50 0 DFAALO CN(C)c1nc(N(C)C)c(NC(=O)c2cccc(Cl)c2)c[nH+]1 ZINC000224348953 426593287 /nfs/dbraw/zinc/59/32/87/426593287.db2.gz GQRLOCFDUUWESS-UHFFFAOYSA-N 1 2 319.796 2.514 50 0 DFAALO C[C@H](N1CC[NH+](CCOc2ccccc2F)CC1)C(F)(F)F ZINC000178272853 426597603 /nfs/dbraw/zinc/59/76/03/426597603.db2.gz WGFUOSHXOTUKHM-LBPRGKRZSA-N 1 2 320.330 2.773 50 0 DFAALO C[C@@H]1CCC[N@H+](Cc2ncccn2)[C@H]1CNC(=O)OC(C)(C)C ZINC000225398924 426599233 /nfs/dbraw/zinc/59/92/33/426599233.db2.gz IJNFCCMCPYNJTL-KGLIPLIRSA-N 1 2 320.437 2.602 50 0 DFAALO C[C@@H]1CCC[N@@H+](Cc2ncccn2)[C@H]1CNC(=O)OC(C)(C)C ZINC000225398924 426599239 /nfs/dbraw/zinc/59/92/39/426599239.db2.gz IJNFCCMCPYNJTL-KGLIPLIRSA-N 1 2 320.437 2.602 50 0 DFAALO c1nnc([C@@H]([NH2+]CCc2cc3ccccc3o2)c2cccnc2)[nH]1 ZINC000225409979 426599911 /nfs/dbraw/zinc/59/99/11/426599911.db2.gz NSAHJJIUAYHCCJ-KRWDZBQOSA-N 1 2 319.368 2.868 50 0 DFAALO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[C@H](Cc2ccccc2)C1 ZINC000225514323 426604338 /nfs/dbraw/zinc/60/43/38/426604338.db2.gz OLUVIYGPCKCLHK-HZPDHXFCSA-N 1 2 309.413 2.606 50 0 DFAALO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[C@H](Cc2ccccc2)C1 ZINC000225514323 426604341 /nfs/dbraw/zinc/60/43/41/426604341.db2.gz OLUVIYGPCKCLHK-HZPDHXFCSA-N 1 2 309.413 2.606 50 0 DFAALO COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2Cc2nc(C)c(C)o2)c1 ZINC000225728677 426610067 /nfs/dbraw/zinc/61/00/67/426610067.db2.gz NMILTSLIXMKYTN-HOCLYGCPSA-N 1 2 302.374 2.608 50 0 DFAALO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2nc(C)c(C)o2)c1 ZINC000225728677 426610069 /nfs/dbraw/zinc/61/00/69/426610069.db2.gz NMILTSLIXMKYTN-HOCLYGCPSA-N 1 2 302.374 2.608 50 0 DFAALO COc1ccc(F)c(F)c1C[NH+]1CCC(c2nc(C)n[nH]2)CC1 ZINC000216310916 426557554 /nfs/dbraw/zinc/55/75/54/426557554.db2.gz QWZJTFIMYFWFFT-UHFFFAOYSA-N 1 2 322.359 2.780 50 0 DFAALO COCCn1ccnc1C[N@H+](C)Cc1ccc2ncccc2c1 ZINC000216363968 426559383 /nfs/dbraw/zinc/55/93/83/426559383.db2.gz JUXOJUOBZLEIDH-UHFFFAOYSA-N 1 2 310.401 2.710 50 0 DFAALO COCCn1ccnc1C[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000216363968 426559387 /nfs/dbraw/zinc/55/93/87/426559387.db2.gz JUXOJUOBZLEIDH-UHFFFAOYSA-N 1 2 310.401 2.710 50 0 DFAALO CC1(C)[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]2CCO[C@H]21 ZINC000230092106 426644263 /nfs/dbraw/zinc/64/42/63/426644263.db2.gz FQOCGKCEYOAICD-BZUAXINKSA-N 1 2 312.369 2.843 50 0 DFAALO CCc1nc(C[NH+]2CCC(O)(c3ccc(C)cn3)CC2)cs1 ZINC000243893783 426722345 /nfs/dbraw/zinc/72/23/45/426722345.db2.gz AUFHMTKVEDLPLV-UHFFFAOYSA-N 1 2 317.458 2.893 50 0 DFAALO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1ccsc1 ZINC000240067992 426713341 /nfs/dbraw/zinc/71/33/41/426713341.db2.gz SGPDJGRRIUKMTM-ZDUSSCGKSA-N 1 2 322.455 2.861 50 0 DFAALO O=C(CCC(F)(F)F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244887867 426729537 /nfs/dbraw/zinc/72/95/37/426729537.db2.gz YPURJXZUTBTKRT-UHFFFAOYSA-N 1 2 302.296 2.794 50 0 DFAALO COCCn1c[nH+]cc1CN1CCCC[C@@H]1c1cc(C)on1 ZINC000244899873 426731356 /nfs/dbraw/zinc/73/13/56/426731356.db2.gz ZRXINPCTPMIGGO-MRXNPFEDSA-N 1 2 304.394 2.553 50 0 DFAALO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000245338669 426732574 /nfs/dbraw/zinc/73/25/74/426732574.db2.gz NSJTZCMQGKLDQN-DVVUODLYSA-N 1 2 324.368 2.738 50 0 DFAALO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000245338669 426732577 /nfs/dbraw/zinc/73/25/77/426732577.db2.gz NSJTZCMQGKLDQN-DVVUODLYSA-N 1 2 324.368 2.738 50 0 DFAALO CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC000275646384 426885535 /nfs/dbraw/zinc/88/55/35/426885535.db2.gz NYZOWXCKPGBIEG-GFCCVEGCSA-N 1 2 317.414 2.503 50 0 DFAALO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275697953 426899472 /nfs/dbraw/zinc/89/94/72/426899472.db2.gz XIMUTCLXZIGUCO-QGZVFWFLSA-N 1 2 313.449 2.678 50 0 DFAALO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1c1nc2c(n1C)CCCC2 ZINC000275697953 426899479 /nfs/dbraw/zinc/89/94/79/426899479.db2.gz XIMUTCLXZIGUCO-QGZVFWFLSA-N 1 2 313.449 2.678 50 0 DFAALO CCc1ccsc1C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000276367057 427049081 /nfs/dbraw/zinc/04/90/81/427049081.db2.gz SEAMUHXSRWXNPL-TZMCWYRMSA-N 1 2 319.430 2.694 50 0 DFAALO COc1cc[nH+]c(CN2CCO[C@H](c3ccsc3)C2)c1OC ZINC000190690115 427162366 /nfs/dbraw/zinc/16/23/66/427162366.db2.gz MYNMMAFTLAGRRJ-HNNXBMFYSA-N 1 2 320.414 2.734 50 0 DFAALO CCc1nnc(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)[nH]1 ZINC000190718562 427165193 /nfs/dbraw/zinc/16/51/93/427165193.db2.gz PBEZFQMMUAMJOJ-LLVKDONJSA-N 1 2 318.425 2.814 50 0 DFAALO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)n1 ZINC000190718562 427165201 /nfs/dbraw/zinc/16/52/01/427165201.db2.gz PBEZFQMMUAMJOJ-LLVKDONJSA-N 1 2 318.425 2.814 50 0 DFAALO CCc1nc(C2CC[NH+]([C@H](C)c3nc(C(C)C)no3)CC2)n[nH]1 ZINC000190718562 427165209 /nfs/dbraw/zinc/16/52/09/427165209.db2.gz PBEZFQMMUAMJOJ-LLVKDONJSA-N 1 2 318.425 2.814 50 0 DFAALO Cc1cc(C)c(NC(=O)c2cnc(OCC3CC3)cn2)c(C)[nH+]1 ZINC000252479891 427176242 /nfs/dbraw/zinc/17/62/42/427176242.db2.gz BOSOSYQAZJMZAF-UHFFFAOYSA-N 1 2 312.373 2.838 50 0 DFAALO C[NH+](C)[C@H](CNC(=O)c1ccccc1)c1ccc(F)cc1F ZINC000252499898 427182569 /nfs/dbraw/zinc/18/25/69/427182569.db2.gz SIHBIICEEUWOBY-MRXNPFEDSA-N 1 2 304.340 2.998 50 0 DFAALO Cc1nnc(C[N@H+](C)CCc2nc3cc(Cl)ccc3[nH]2)o1 ZINC000252500778 427182621 /nfs/dbraw/zinc/18/26/21/427182621.db2.gz TVGZPMGZPKVMQD-UHFFFAOYSA-N 1 2 305.769 2.582 50 0 DFAALO Cc1nnc(C[N@@H+](C)CCc2nc3cc(Cl)ccc3[nH]2)o1 ZINC000252500778 427182624 /nfs/dbraw/zinc/18/26/24/427182624.db2.gz TVGZPMGZPKVMQD-UHFFFAOYSA-N 1 2 305.769 2.582 50 0 DFAALO CCC[C@H]1c2[nH+]ccn2CCCN1C(=O)c1ccncc1F ZINC000253398043 427202653 /nfs/dbraw/zinc/20/26/53/427202653.db2.gz BVJHWYHTSCDYGE-AWEZNQCLSA-N 1 2 302.353 2.805 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1/C=C/c1cccs1 ZINC000253418830 427206043 /nfs/dbraw/zinc/20/60/43/427206043.db2.gz ALAFHFPLYIPDCC-VBROQKIQSA-N 1 2 316.430 2.832 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N1CCC[C@H]1/C=C/c1cccs1 ZINC000253418829 427206166 /nfs/dbraw/zinc/20/61/66/427206166.db2.gz ALAFHFPLYIPDCC-GJBLVYBDSA-N 1 2 316.430 2.832 50 0 DFAALO COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1[nH]c[nH+]c1C ZINC000253419927 427206452 /nfs/dbraw/zinc/20/64/52/427206452.db2.gz DMRBWAFIHRCLED-AWEZNQCLSA-N 1 2 313.401 2.506 50 0 DFAALO COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1[nH+]c[nH]c1C ZINC000253419927 427206462 /nfs/dbraw/zinc/20/64/62/427206462.db2.gz DMRBWAFIHRCLED-AWEZNQCLSA-N 1 2 313.401 2.506 50 0 DFAALO O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000253422977 427208005 /nfs/dbraw/zinc/20/80/05/427208005.db2.gz OTICKDUZXNRJAW-INIZCTEOSA-N 1 2 321.384 2.502 50 0 DFAALO Cc1ncoc1C(=O)N1CCCn2cc[nH+]c2[C@@H]1C1CCCC1 ZINC000257191613 427306503 /nfs/dbraw/zinc/30/65/03/427306503.db2.gz PWFMMYXRTZJJIB-AWEZNQCLSA-N 1 2 314.389 2.957 50 0 DFAALO O=C(c1cnco1)N1CCCn2cc[nH+]c2[C@@H]1C1CCCC1 ZINC000257196439 427310888 /nfs/dbraw/zinc/31/08/88/427310888.db2.gz YFQGACXCZNCXLQ-AWEZNQCLSA-N 1 2 300.362 2.649 50 0 DFAALO CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263574886 427521486 /nfs/dbraw/zinc/52/14/86/427521486.db2.gz ODGKTMCRCRXRQO-MRXNPFEDSA-N 1 2 313.401 2.981 50 0 DFAALO CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000263574886 427521493 /nfs/dbraw/zinc/52/14/93/427521493.db2.gz ODGKTMCRCRXRQO-MRXNPFEDSA-N 1 2 313.401 2.981 50 0 DFAALO CC(C)n1ccnc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336858544 427762602 /nfs/dbraw/zinc/76/26/02/427762602.db2.gz ZMPRZOSGPXTBCK-CVEARBPZSA-N 1 2 303.381 2.911 50 0 DFAALO CC(C)n1ccnc1C[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336858544 427762605 /nfs/dbraw/zinc/76/26/05/427762605.db2.gz ZMPRZOSGPXTBCK-CVEARBPZSA-N 1 2 303.381 2.911 50 0 DFAALO CC(C)n1cc[nH+]c1CN1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336858544 427762607 /nfs/dbraw/zinc/76/26/07/427762607.db2.gz ZMPRZOSGPXTBCK-CVEARBPZSA-N 1 2 303.381 2.911 50 0 DFAALO CCC[C@@H](NC(=O)Cn1nc(C)c(Cl)c1C)c1[nH+]ccn1C ZINC000299792994 427770343 /nfs/dbraw/zinc/77/03/43/427770343.db2.gz HLFVBFVPWFHWLB-GFCCVEGCSA-N 1 2 323.828 2.544 50 0 DFAALO Cn1ncc2c1nc(N1C[C@@H](c3ccccc3)C(C)(C)C1)[nH+]c2N ZINC000302872941 427883225 /nfs/dbraw/zinc/88/32/25/427883225.db2.gz CQZVJLWUDMAVRU-AWEZNQCLSA-N 1 2 322.416 2.576 50 0 DFAALO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000340240657 427966440 /nfs/dbraw/zinc/96/64/40/427966440.db2.gz VIPXLOPAMBKGAT-BBRMVZONSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000340240657 427966444 /nfs/dbraw/zinc/96/64/44/427966444.db2.gz VIPXLOPAMBKGAT-BBRMVZONSA-N 1 2 320.339 2.676 50 0 DFAALO Cc1nc(NCc2cnc3ccccc3c2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426361159 429384570 /nfs/dbraw/zinc/38/45/70/429384570.db2.gz CSTBKZFIUGXJDG-MRXNPFEDSA-N 1 2 320.396 3.449 50 0 DFAALO C[N@@H+]1CCc2ncnc(N3CCC[C@H]3c3cccc(F)c3)c2C1 ZINC000248098374 277189652 /nfs/dbraw/zinc/18/96/52/277189652.db2.gz YYDYXTOSFXPDGH-KRWDZBQOSA-N 1 2 312.392 2.945 50 0 DFAALO C[N@H+]1CCc2ncnc(N3CCC[C@H]3c3cccc(F)c3)c2C1 ZINC000248098374 277189653 /nfs/dbraw/zinc/18/96/53/277189653.db2.gz YYDYXTOSFXPDGH-KRWDZBQOSA-N 1 2 312.392 2.945 50 0 DFAALO COc1c(C)c[nH+]c(Cn2c3ccccc3nc(C)c2=O)c1C ZINC000095376198 277363770 /nfs/dbraw/zinc/36/37/70/277363770.db2.gz YTGNSGDIBFXBHJ-UHFFFAOYSA-N 1 2 309.369 2.774 50 0 DFAALO C[N@@H+]1CCc2ncnc(N3CCC[C@@H]3c3ccc(F)cc3)c2C1 ZINC000065474270 290256469 /nfs/dbraw/zinc/25/64/69/290256469.db2.gz ZTDQHCYWWLVHQY-QGZVFWFLSA-N 1 2 312.392 2.945 50 0 DFAALO C[N@H+]1CCc2ncnc(N3CCC[C@@H]3c3ccc(F)cc3)c2C1 ZINC000065474270 290256471 /nfs/dbraw/zinc/25/64/71/290256471.db2.gz ZTDQHCYWWLVHQY-QGZVFWFLSA-N 1 2 312.392 2.945 50 0 DFAALO Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000026901119 293040241 /nfs/dbraw/zinc/04/02/41/293040241.db2.gz HZXKXYXGOQWGGZ-SECBINFHSA-N 1 2 307.341 2.664 50 0 DFAALO Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000026901119 293040243 /nfs/dbraw/zinc/04/02/43/293040243.db2.gz HZXKXYXGOQWGGZ-SECBINFHSA-N 1 2 307.341 2.664 50 0 DFAALO COc1ccc([C@H]2CCCN2c2[nH+]cnc3c2cnn3C)cc1 ZINC000014219095 295249912 /nfs/dbraw/zinc/24/99/12/295249912.db2.gz OUURASLOQHWMSQ-OAHLLOKOSA-N 1 2 309.373 2.713 50 0 DFAALO CC[C@H]([NH2+]Cc1nnnn1-c1ccccc1)c1c(C)noc1C ZINC000097373949 323209339 /nfs/dbraw/zinc/20/93/39/323209339.db2.gz QZLJMAVOORTFKC-AWEZNQCLSA-N 1 2 312.377 2.508 50 0 DFAALO CC(C)Cn1cc[nH+]c1CNC(=O)NC1Cc2ccccc2C1 ZINC000097377403 323209725 /nfs/dbraw/zinc/20/97/25/323209725.db2.gz TVTRFMRGLSEZRD-UHFFFAOYSA-N 1 2 312.417 2.506 50 0 DFAALO Cc1cc(C)nc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000097378605 323209738 /nfs/dbraw/zinc/20/97/38/323209738.db2.gz VGWHLMKMDLUNIK-UHFFFAOYSA-N 1 2 301.394 2.873 50 0 DFAALO COc1ccc(C)nc1NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000127669759 323211877 /nfs/dbraw/zinc/21/18/77/323211877.db2.gz KRCKWNXQEQTRMF-UHFFFAOYSA-N 1 2 317.393 2.573 50 0 DFAALO CO[C@@H](CNC(=O)Cn1c(C)[nH+]c2ccccc21)c1ccccc1 ZINC000056472800 333396170 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UXHWEMRNFWIVSK-UHFFFAOYSA-N 1 2 309.369 2.831 50 0 DFAALO CC(C)c1nccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000426509569 257247645 /nfs/dbraw/zinc/24/76/45/257247645.db2.gz VJDHLAXVOAQDIT-QGZVFWFLSA-N 1 2 324.428 2.729 50 0 DFAALO CC(C)c1nccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000426509569 257247646 /nfs/dbraw/zinc/24/76/46/257247646.db2.gz VJDHLAXVOAQDIT-QGZVFWFLSA-N 1 2 324.428 2.729 50 0 DFAALO CSCCCNC(=O)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000426429069 257250602 /nfs/dbraw/zinc/25/06/02/257250602.db2.gz YVQIMUKRNCKPHW-UHFFFAOYSA-N 1 2 301.415 2.814 50 0 DFAALO c1cn(-c2ccccc2CNc2ccc3nccnc3n2)c[nH+]1 ZINC000091506121 542541162 /nfs/dbraw/zinc/54/11/62/542541162.db2.gz JJPZJNZKOQVJBP-UHFFFAOYSA-N 1 2 302.341 2.823 50 0 DFAALO CCCOc1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000092703358 542550506 /nfs/dbraw/zinc/55/05/06/542550506.db2.gz UNUKDJDUCJMCDN-SJORKVTESA-N 1 2 302.418 2.718 50 0 DFAALO CCCOc1cccc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000092703358 542550510 /nfs/dbraw/zinc/55/05/10/542550510.db2.gz UNUKDJDUCJMCDN-SJORKVTESA-N 1 2 302.418 2.718 50 0 DFAALO C[C@@]1(NC(=O)NCCCn2cc[nH+]c2)CCCc2ccccc21 ZINC000069620346 184826222 /nfs/dbraw/zinc/82/62/22/184826222.db2.gz RLZYCWUUUZHPQG-GOSISDBHSA-N 1 2 312.417 2.824 50 0 DFAALO O=C([C@@H]1Cc2ccccc2S1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000071796526 184844153 /nfs/dbraw/zinc/84/41/53/184844153.db2.gz CQKQGBYLCQPODH-ZBFHGGJFSA-N 1 2 313.426 2.764 50 0 DFAALO CCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000012653237 285473244 /nfs/dbraw/zinc/47/32/44/285473244.db2.gz PYLFIQHIDBRCDS-HXUWFJFHSA-N 1 2 317.392 2.924 50 0 DFAALO C[C@H]1CCCN(c2nc(NCCCO)c3ccccc3[nH+]2)C1 ZINC000041150327 134724207 /nfs/dbraw/zinc/72/42/07/134724207.db2.gz ZADGPLDTNRMTFL-ZDUSSCGKSA-N 1 2 300.406 2.660 50 0 DFAALO CCC[C@H](NC(=O)CSc1ccccn1)c1[nH+]ccn1C ZINC000222285559 542883484 /nfs/dbraw/zinc/88/34/84/542883484.db2.gz ORTIVKFHZVQJHJ-LBPRGKRZSA-N 1 2 304.419 2.565 50 0 DFAALO CCS[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000221814899 542882023 /nfs/dbraw/zinc/88/20/23/542882023.db2.gz POTDFGDXZQIIHR-MGPQQGTHSA-N 1 2 322.478 2.973 50 0 DFAALO Cc1ccc(-c2[nH+]c(C)nc(N3CCSCC3)c2N)cc1 ZINC000096282047 292031778 /nfs/dbraw/zinc/03/17/78/292031778.db2.gz WWHUYOJENUKKSW-UHFFFAOYSA-N 1 2 300.431 2.896 50 0 DFAALO Cc1ccccc1CC1(NC(=O)C[N@@H+](C)Cc2cccnc2)CC1 ZINC000299761015 543043910 /nfs/dbraw/zinc/04/39/10/543043910.db2.gz SZMHTZOOZMUJJV-UHFFFAOYSA-N 1 2 323.440 2.713 50 0 DFAALO Cc1ccccc1CC1(NC(=O)C[N@H+](C)Cc2cccnc2)CC1 ZINC000299761015 543043912 /nfs/dbraw/zinc/04/39/12/543043912.db2.gz SZMHTZOOZMUJJV-UHFFFAOYSA-N 1 2 323.440 2.713 50 0 DFAALO COC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000247046416 158116315 /nfs/dbraw/zinc/11/63/15/158116315.db2.gz ZCXFOJBSGOFWCC-DTWKUNHWSA-N 1 2 322.352 2.903 50 0 DFAALO COC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000247046416 158116318 /nfs/dbraw/zinc/11/63/18/158116318.db2.gz ZCXFOJBSGOFWCC-DTWKUNHWSA-N 1 2 322.352 2.903 50 0 DFAALO Cc1csc(NC(=O)C[N@H+](C)CCOc2cccc(F)c2)n1 ZINC000053186920 425887018 /nfs/dbraw/zinc/88/70/18/425887018.db2.gz WONQHFUGKTTZDR-UHFFFAOYSA-N 1 2 323.393 2.540 50 0 DFAALO Cc1csc(NC(=O)C[N@@H+](C)CCOc2cccc(F)c2)n1 ZINC000053186920 425887019 /nfs/dbraw/zinc/88/70/19/425887019.db2.gz WONQHFUGKTTZDR-UHFFFAOYSA-N 1 2 323.393 2.540 50 0 DFAALO Cc1noc(C2CC[NH+]([C@@H](C)c3nc(C4CC4)no3)CC2)n1 ZINC000053618439 425888373 /nfs/dbraw/zinc/88/83/73/425888373.db2.gz ZJLTVBGSNFUBBB-VIFPVBQESA-N 1 2 303.366 2.579 50 0 DFAALO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CC[C@H]2CCOC2)CC1 ZINC000129879918 196082159 /nfs/dbraw/zinc/08/21/59/196082159.db2.gz LSGOBAYVSXWXHK-GJZGRUSLSA-N 1 2 322.474 2.770 50 0 DFAALO Cc1[nH+]ccn1-c1ccc(NC(=O)c2c(O)cccc2F)cn1 ZINC000130944749 196124834 /nfs/dbraw/zinc/12/48/34/196124834.db2.gz BZZVBTXBZCNOBJ-UHFFFAOYSA-N 1 2 312.304 2.673 50 0 DFAALO CNc1nc(N(C)[C@@H](C)c2ccccn2)[nH+]cc1Br ZINC000131970281 196215690 /nfs/dbraw/zinc/21/56/90/196215690.db2.gz NRPXAKORANOWIV-VIFPVBQESA-N 1 2 322.210 2.873 50 0 DFAALO C[C@@H](C(=O)NCc1ccccn1)n1cc[nH+]c1-c1ccccc1 ZINC000133152546 196316450 /nfs/dbraw/zinc/31/64/50/196316450.db2.gz UXESOXJYPHZWFK-AWEZNQCLSA-N 1 2 306.369 2.823 50 0 DFAALO O=C(NCc1cn2ccccc2[nH+]1)NCc1cccc(Cl)c1 ZINC000054953767 425891569 /nfs/dbraw/zinc/89/15/69/425891569.db2.gz BLJVGOLIUOHFFR-UHFFFAOYSA-N 1 2 314.776 2.987 50 0 DFAALO CC[C@H](CO)[N@H+](Cc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000055196611 425892197 /nfs/dbraw/zinc/89/21/97/425892197.db2.gz VKFVXQATGAYWFX-GFCCVEGCSA-N 1 2 311.813 2.748 50 0 DFAALO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000055196611 425892198 /nfs/dbraw/zinc/89/21/98/425892198.db2.gz VKFVXQATGAYWFX-GFCCVEGCSA-N 1 2 311.813 2.748 50 0 DFAALO CC[C@H](C)[N@H+](Cc1nccn1CCOC)Cc1cccnc1 ZINC000055182582 425892311 /nfs/dbraw/zinc/89/23/11/425892311.db2.gz ALMCBJJHSHFIIF-HNNXBMFYSA-N 1 2 302.422 2.725 50 0 DFAALO CC[C@H](C)[N@@H+](Cc1nccn1CCOC)Cc1cccnc1 ZINC000055182582 425892312 /nfs/dbraw/zinc/89/23/12/425892312.db2.gz ALMCBJJHSHFIIF-HNNXBMFYSA-N 1 2 302.422 2.725 50 0 DFAALO Cc1cnc(C[N@H+](C)Cc2cnn(-c3ccccc3C)c2)cn1 ZINC000670449156 544042154 /nfs/dbraw/zinc/04/21/54/544042154.db2.gz ACMODINSOSHLMO-UHFFFAOYSA-N 1 2 307.401 2.911 50 0 DFAALO Cc1cnc(C[N@@H+](C)Cc2cnn(-c3ccccc3C)c2)cn1 ZINC000670449156 544042157 /nfs/dbraw/zinc/04/21/57/544042157.db2.gz ACMODINSOSHLMO-UHFFFAOYSA-N 1 2 307.401 2.911 50 0 DFAALO CCC1=NO[C@@H](CN(C)CC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670465603 544044967 /nfs/dbraw/zinc/04/49/67/544044967.db2.gz WYGUWTVSAZETPI-QGZVFWFLSA-N 1 2 323.481 2.508 50 0 DFAALO O=C(c1ccoc1)N1CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC000670466305 544045095 /nfs/dbraw/zinc/04/50/95/544045095.db2.gz HUSJUZJXKGKQCU-UHFFFAOYSA-N 1 2 308.765 2.874 50 0 DFAALO O=C(c1ccoc1)N1CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC000670466305 544045097 /nfs/dbraw/zinc/04/50/97/544045097.db2.gz HUSJUZJXKGKQCU-UHFFFAOYSA-N 1 2 308.765 2.874 50 0 DFAALO CCCNc1ccc(C)cc1C(=O)NCCCn1cc[nH+]c1 ZINC000055324854 425892963 /nfs/dbraw/zinc/89/29/63/425892963.db2.gz KINUPCQZNCXINA-UHFFFAOYSA-N 1 2 300.406 2.834 50 0 DFAALO S=C(NCCc1cn2ccccc2[nH+]1)NC1CCCCC1 ZINC000055353045 425893101 /nfs/dbraw/zinc/89/31/01/425893101.db2.gz ODRCEBPZFWUXCB-UHFFFAOYSA-N 1 2 302.447 2.674 50 0 DFAALO Cc1cccc(N2CC[NH+](Cn3c4ccccc4oc3=O)CC2)c1 ZINC000057352575 425896559 /nfs/dbraw/zinc/89/65/59/425896559.db2.gz IZKHDHDZNNJGDQ-UHFFFAOYSA-N 1 2 323.396 2.683 50 0 DFAALO Cc1ccc(CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000065538965 425903021 /nfs/dbraw/zinc/90/30/21/425903021.db2.gz ZKXVPLOAONWDHL-AWEZNQCLSA-N 1 2 315.442 2.984 50 0 DFAALO Cc1nc(N2CCc3[nH]nc(-c4cccc(F)c4)c3C2)cc[nH+]1 ZINC000067920659 425914445 /nfs/dbraw/zinc/91/44/45/425914445.db2.gz FKWGLWXKPRVUEW-UHFFFAOYSA-N 1 2 309.348 2.877 50 0 DFAALO O=C(Cc1csc(-c2ccccc2)n1)N1CCc2[nH]c[nH+]c2C1 ZINC000067920052 425914548 /nfs/dbraw/zinc/91/45/48/425914548.db2.gz UGDGFJDZHUASFN-UHFFFAOYSA-N 1 2 324.409 2.661 50 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O=C1C[C@@]2(CC[N@@H+](Cc3nccn3C3CC3)C2)Oc2ccccc21 ZINC000244707986 426725328 /nfs/dbraw/zinc/72/53/28/426725328.db2.gz KLIHOPJZDJNIER-LJQANCHMSA-N 1 2 323.396 2.828 50 0 DFAALO COc1cccc([C@H]2CC[N@@H+]2CC(=O)NCc2cccs2)c1 ZINC000244716323 426726411 /nfs/dbraw/zinc/72/64/11/426726411.db2.gz LMYGRHXONJTTQH-MRXNPFEDSA-N 1 2 316.426 2.820 50 0 DFAALO COc1cccc([C@H]2CC[N@H+]2CC(=O)NCc2cccs2)c1 ZINC000244716323 426726415 /nfs/dbraw/zinc/72/64/15/426726415.db2.gz LMYGRHXONJTTQH-MRXNPFEDSA-N 1 2 316.426 2.820 50 0 DFAALO C[N@H+](CC[C@H](O)c1ccccc1)Cc1nc(C(F)(F)F)no1 ZINC000244723757 426727018 /nfs/dbraw/zinc/72/70/18/426727018.db2.gz MGTIWZZZZBDGQK-NSHDSACASA-N 1 2 315.295 2.644 50 0 DFAALO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1nc(C(F)(F)F)no1 ZINC000244723757 426727025 /nfs/dbraw/zinc/72/70/25/426727025.db2.gz MGTIWZZZZBDGQK-NSHDSACASA-N 1 2 315.295 2.644 50 0 DFAALO O=C(N[C@H](c1ccccc1)[C@H]1C[C@@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000244716098 426727096 /nfs/dbraw/zinc/72/70/96/426727096.db2.gz 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ZINC000180803764 426890729 /nfs/dbraw/zinc/89/07/29/426890729.db2.gz BVTCKJDGTQSFKE-LSDHHAIUSA-N 1 2 323.318 2.803 50 0 DFAALO CCCNc1ccccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000190141249 427029733 /nfs/dbraw/zinc/02/97/33/427029733.db2.gz BMRAMEBYBKBDNL-CYBMUJFWSA-N 1 2 307.463 2.884 50 0 DFAALO CCCNc1ccccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000190141267 427031954 /nfs/dbraw/zinc/03/19/54/427031954.db2.gz BMRAMEBYBKBDNL-ZDUSSCGKSA-N 1 2 307.463 2.884 50 0 DFAALO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)C2=CCCCCC2)CCO1 ZINC000276365443 427044901 /nfs/dbraw/zinc/04/49/01/427044901.db2.gz SCKXYKXGGVWCHD-GOEBONIOSA-N 1 2 303.406 2.647 50 0 DFAALO C[C@H]([NH2+]Cc1ccn[nH]1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182641215 427115744 /nfs/dbraw/zinc/11/57/44/427115744.db2.gz FBXMKIROBWYPPU-JSGCOSHPSA-N 1 2 308.426 2.677 50 0 DFAALO CC(C)c1nnc(C[N@H+](C)CCc2nc3cc(F)ccc3[nH]2)o1 ZINC000252500583 427181973 /nfs/dbraw/zinc/18/19/73/427181973.db2.gz SYKCUZVJOYNTOU-UHFFFAOYSA-N 1 2 317.368 2.883 50 0 DFAALO CC(C)c1nnc(C[N@@H+](C)CCc2nc3cc(F)ccc3[nH]2)o1 ZINC000252500583 427181979 /nfs/dbraw/zinc/18/19/79/427181979.db2.gz SYKCUZVJOYNTOU-UHFFFAOYSA-N 1 2 317.368 2.883 50 0 DFAALO CCn1ncc(C(=O)N2CCCn3cc[nH+]c3[C@H]2C(C)C)c1C ZINC000257184524 427306968 /nfs/dbraw/zinc/30/69/68/427306968.db2.gz IPLKIAJQKNZLCI-OAHLLOKOSA-N 1 2 315.421 2.651 50 0 DFAALO Nc1cccc(CSc2nnc(NCC(F)(F)F)s2)[nH+]1 ZINC000191560490 427377800 /nfs/dbraw/zinc/37/78/00/427377800.db2.gz WOKKQYIYEGXFQI-UHFFFAOYSA-N 1 2 321.353 2.782 50 0 DFAALO C[C@@H]1C[C@@H](c2ccccc2)CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000277929109 427360923 /nfs/dbraw/zinc/36/09/23/427360923.db2.gz WEAVNYSBNNELMO-NVXWUHKLSA-N 1 2 324.428 2.696 50 0 DFAALO C[C@@H]1C[C@@H](c2ccccc2)CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000277929109 427360927 /nfs/dbraw/zinc/36/09/27/427360927.db2.gz WEAVNYSBNNELMO-NVXWUHKLSA-N 1 2 324.428 2.696 50 0 DFAALO CC(C)(C)n1cc(C[NH+]2CCC(O)(c3ccccc3)CC2)nn1 ZINC000191501228 427365635 /nfs/dbraw/zinc/36/56/35/427365635.db2.gz 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CSZPVVSVAAAJSY-QWHCGFSZSA-N 1 2 303.362 2.590 50 0 DFAALO Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccco2)on1 ZINC000065458998 184348562 /nfs/dbraw/zinc/34/85/62/184348562.db2.gz CSZPVVSVAAAJSY-QWHCGFSZSA-N 1 2 303.362 2.590 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)Cc1ccc3c(c1)CCCC3)C2 ZINC000065466686 184349998 /nfs/dbraw/zinc/34/99/98/184349998.db2.gz WAMOWELCMYHZSW-SFHVURJKSA-N 1 2 323.440 2.744 50 0 DFAALO Cc1nc(-c2ccccc2)c(C(=O)NCCn2cc[nH+]c2)s1 ZINC000065402294 184337455 /nfs/dbraw/zinc/33/74/55/184337455.db2.gz GUIVVIUPOCCUKA-UHFFFAOYSA-N 1 2 312.398 2.745 50 0 DFAALO CC(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1(c2ccccc2F)CC1 ZINC000065526390 184359780 /nfs/dbraw/zinc/35/97/80/184359780.db2.gz ZMNJIWDKHSAGIC-MRXNPFEDSA-N 1 2 315.392 2.895 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)[C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065528442 184360114 /nfs/dbraw/zinc/36/01/14/184360114.db2.gz KFTRKEUPYBIMDC-OAHLLOKOSA-N 1 2 314.433 2.968 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)[C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065528441 184360442 /nfs/dbraw/zinc/36/04/42/184360442.db2.gz KFTRKEUPYBIMDC-HNNXBMFYSA-N 1 2 314.433 2.968 50 0 DFAALO CCc1cc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(C)cc2)on1 ZINC000065506634 184357106 /nfs/dbraw/zinc/35/71/06/184357106.db2.gz FJWRWIZUABJESU-CQSZACIVSA-N 1 2 315.417 2.855 50 0 DFAALO CCc1cc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(C)cc2)on1 ZINC000065506634 184357108 /nfs/dbraw/zinc/35/71/08/184357108.db2.gz FJWRWIZUABJESU-CQSZACIVSA-N 1 2 315.417 2.855 50 0 DFAALO Cc1cccn2cc(CC(=O)N3CCC[C@@H]3c3ccc[nH]3)[nH+]c12 ZINC000069568357 184526932 /nfs/dbraw/zinc/52/69/32/184526932.db2.gz ZPRJKKLDQXCGMN-MRXNPFEDSA-N 1 2 308.385 2.877 50 0 DFAALO Cc1cc(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)cc[nH+]1 ZINC000119796635 195037849 /nfs/dbraw/zinc/03/78/49/195037849.db2.gz AOOYDYWGHGGDED-ZDUSSCGKSA-N 1 2 319.405 2.976 50 0 DFAALO Cn1cc[nH+]c1CN1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000012299890 542421076 /nfs/dbraw/zinc/42/10/76/542421076.db2.gz VQBHAKBJBBPTRV-AWEZNQCLSA-N 1 2 305.809 2.517 50 0 DFAALO O=C(Cc1ccc(F)cc1F)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120764762 195232375 /nfs/dbraw/zinc/23/23/75/195232375.db2.gz HJBTUVVUOPCRGO-HNNXBMFYSA-N 1 2 318.323 2.582 50 0 DFAALO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ocnc1C1CC1 ZINC000289660385 221135850 /nfs/dbraw/zinc/13/58/50/221135850.db2.gz YOPBVHUHGNYYIL-UHFFFAOYSA-N 1 2 322.368 2.942 50 0 DFAALO CC[C@H](NC(=O)c1ccc(-c2[nH+]ccn2C)cc1)c1cnn(C)c1 ZINC000426575027 257246158 /nfs/dbraw/zinc/24/61/58/257246158.db2.gz NHOIMGZZKPZDRV-INIZCTEOSA-N 1 2 323.400 2.702 50 0 DFAALO CCc1[nH+]c2cc(CNC(=O)c3ccn[nH]3)ccc2n1C1CC1 ZINC000408515980 257256062 /nfs/dbraw/zinc/25/60/62/257256062.db2.gz SVNXCAVGSAPTNC-UHFFFAOYSA-N 1 2 309.373 2.587 50 0 DFAALO O=C(NCCn1cc[nH+]c1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000091531758 542541579 /nfs/dbraw/zinc/54/15/79/542541579.db2.gz CDIYBKBJRDATLJ-MJGOQNOKSA-N 1 2 324.428 2.994 50 0 DFAALO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1nc(C2CCCC2)no1 ZINC000178614785 542777443 /nfs/dbraw/zinc/77/74/43/542777443.db2.gz FJANYKSXFXKVSU-AWEZNQCLSA-N 1 2 320.437 2.560 50 0 DFAALO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1nc(C2CCCC2)no1 ZINC000178614785 542777445 /nfs/dbraw/zinc/77/74/45/542777445.db2.gz FJANYKSXFXKVSU-AWEZNQCLSA-N 1 2 320.437 2.560 50 0 DFAALO COc1ccc(-n2ncc3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000000426433 134436850 /nfs/dbraw/zinc/43/68/50/134436850.db2.gz HDIRSVJGBJGHFV-UHFFFAOYSA-N 1 2 309.373 2.814 50 0 DFAALO Cc1noc([C@H]2CCCC[N@H+]2Cc2ccc(N(C)C)nc2)n1 ZINC000215731406 542872907 /nfs/dbraw/zinc/87/29/07/542872907.db2.gz BTSGHAKXYLYOFW-CQSZACIVSA-N 1 2 301.394 2.566 50 0 DFAALO Cc1noc([C@H]2CCCC[N@@H+]2Cc2ccc(N(C)C)nc2)n1 ZINC000215731406 542872911 /nfs/dbraw/zinc/87/29/11/542872911.db2.gz BTSGHAKXYLYOFW-CQSZACIVSA-N 1 2 301.394 2.566 50 0 DFAALO Cc1ccsc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000032930279 134684393 /nfs/dbraw/zinc/68/43/93/134684393.db2.gz HCOFWOSZFDDNRH-UHFFFAOYSA-N 1 2 301.415 2.850 50 0 DFAALO COCCN(Cc1cn2ccc(C)cc2[nH+]1)Cc1nccs1 ZINC000252497030 542947226 /nfs/dbraw/zinc/94/72/26/542947226.db2.gz PXOQDUUXDKJPOE-UHFFFAOYSA-N 1 2 316.430 2.748 50 0 DFAALO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@H]1c1ccccc1Cl ZINC000252497863 542947390 /nfs/dbraw/zinc/94/73/90/542947390.db2.gz FGFPOBPPQGNHSL-ZLDLUXBVSA-N 1 2 318.808 2.780 50 0 DFAALO Cc1ccc2[nH]c([C@@H](C)NC(=O)CCCn3cc[nH+]c3)nc2c1 ZINC000299760906 543044224 /nfs/dbraw/zinc/04/42/24/543044224.db2.gz SDUIEVUTLLNUCF-CYBMUJFWSA-N 1 2 311.389 2.725 50 0 DFAALO Cc1ccc2nc([C@@H](C)NC(=O)CCCn3cc[nH+]c3)[nH]c2c1 ZINC000299760906 543044227 /nfs/dbraw/zinc/04/42/27/543044227.db2.gz SDUIEVUTLLNUCF-CYBMUJFWSA-N 1 2 311.389 2.725 50 0 DFAALO COc1ccc(F)cc1[C@@H](C)Nc1[nH+]cnc2c1cnn2C ZINC000052426652 425884593 /nfs/dbraw/zinc/88/45/93/425884593.db2.gz RFWBFUWZIIWODV-SECBINFHSA-N 1 2 301.325 2.684 50 0 DFAALO O=c1[nH]nc(C[NH+]2CCC([C@@H](F)c3ccccc3F)CC2)[nH]1 ZINC000352543459 286403241 /nfs/dbraw/zinc/40/32/41/286403241.db2.gz FKAHBQLOOFZFRH-CQSZACIVSA-N 1 2 308.332 2.572 50 0 DFAALO COCCn1ccnc1C[N@H+](CCOC)Cc1sccc1C ZINC000055120480 425891962 /nfs/dbraw/zinc/89/19/62/425891962.db2.gz AKVDWZFHZWKDKC-UHFFFAOYSA-N 1 2 323.462 2.548 50 0 DFAALO COCCn1ccnc1C[N@@H+](CCOC)Cc1sccc1C ZINC000055120480 425891963 /nfs/dbraw/zinc/89/19/63/425891963.db2.gz AKVDWZFHZWKDKC-UHFFFAOYSA-N 1 2 323.462 2.548 50 0 DFAALO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000055152280 425892288 /nfs/dbraw/zinc/89/22/88/425892288.db2.gz VQGQJOXYWIXXGY-ZBEGNZNMSA-N 1 2 302.349 2.712 50 0 DFAALO Cc1nc(C[N@@H+]2CCC[C@@H](COc3ccccc3C)C2)no1 ZINC000670473484 544045994 /nfs/dbraw/zinc/04/59/94/544045994.db2.gz ZYVKTCOCPWFSMD-OAHLLOKOSA-N 1 2 301.390 2.977 50 0 DFAALO Cc1nc(C[N@H+]2CCC[C@@H](COc3ccccc3C)C2)no1 ZINC000670473484 544045995 /nfs/dbraw/zinc/04/59/95/544045995.db2.gz ZYVKTCOCPWFSMD-OAHLLOKOSA-N 1 2 301.390 2.977 50 0 DFAALO C[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000055565648 425894177 /nfs/dbraw/zinc/89/41/77/425894177.db2.gz BMKCFQCWJXHVRI-MRXNPFEDSA-N 1 2 315.461 2.646 50 0 DFAALO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000055561932 425894309 /nfs/dbraw/zinc/89/43/09/425894309.db2.gz FRSGRPJCNZGWDU-UHFFFAOYSA-N 1 2 313.376 2.586 50 0 DFAALO CCOC(=O)c1ccoc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000058311793 425897511 /nfs/dbraw/zinc/89/75/11/425897511.db2.gz FWERBQOHFAJGCD-UHFFFAOYSA-N 1 2 314.385 2.779 50 0 DFAALO O=C(/C=C/c1ccccn1)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000058332147 425897623 /nfs/dbraw/zinc/89/76/23/425897623.db2.gz FASTYDFJVRIQPP-CSKARUKUSA-N 1 2 322.412 2.797 50 0 DFAALO CN(C(=O)c1cc(Cl)c[nH]1)C1CCN(c2cccc[nH+]2)CC1 ZINC000065626091 425903148 /nfs/dbraw/zinc/90/31/48/425903148.db2.gz PTEHUIJODMBOHO-UHFFFAOYSA-N 1 2 318.808 2.804 50 0 DFAALO CN(Cc1ccccc1)c1[nH+]cccc1CNC(=O)c1ccc[nH]1 ZINC000067460192 425910561 /nfs/dbraw/zinc/91/05/61/425910561.db2.gz WUBPDBZMHQXBSH-UHFFFAOYSA-N 1 2 320.396 2.976 50 0 DFAALO O=S(=O)(Nc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000067640768 425912091 /nfs/dbraw/zinc/91/20/91/425912091.db2.gz BPGGWRJAHGEPBO-UHFFFAOYSA-N 1 2 319.411 2.794 50 0 DFAALO Cc1n[nH]c(C)c1[C@H](C)[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067649129 425912112 /nfs/dbraw/zinc/91/21/12/425912112.db2.gz QKCPBJZSPXDSGX-ZDUSSCGKSA-N 1 2 321.446 2.623 50 0 DFAALO Cc1n[nH]c(C)c1[C@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000067649129 425912113 /nfs/dbraw/zinc/91/21/13/425912113.db2.gz QKCPBJZSPXDSGX-ZDUSSCGKSA-N 1 2 321.446 2.623 50 0 DFAALO CCc1nc(C)ccc1OCC(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067675639 425912374 /nfs/dbraw/zinc/91/23/74/425912374.db2.gz IEPQCRWTBXRMCQ-UHFFFAOYSA-N 1 2 314.389 2.503 50 0 DFAALO CCn1ncnc1C[N@H+](CC)CCOc1c(C)cccc1C ZINC000067675025 425912474 /nfs/dbraw/zinc/91/24/74/425912474.db2.gz QUGPPTDFLAVSHT-UHFFFAOYSA-N 1 2 302.422 2.816 50 0 DFAALO CCn1ncnc1C[N@@H+](CC)CCOc1c(C)cccc1C ZINC000067675025 425912475 /nfs/dbraw/zinc/91/24/75/425912475.db2.gz QUGPPTDFLAVSHT-UHFFFAOYSA-N 1 2 302.422 2.816 50 0 DFAALO CC(=O)Nc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)c(C)c1 ZINC000067688722 425912622 /nfs/dbraw/zinc/91/26/22/425912622.db2.gz ZUJMKTTZGVFKJX-UHFFFAOYSA-N 1 2 312.373 2.739 50 0 DFAALO c1cn(CCCn2cc[nH+]c2)c(-c2ccc(-c3cc[nH]n3)o2)n1 ZINC000067756389 425912933 /nfs/dbraw/zinc/91/29/33/425912933.db2.gz UTDLXTNYGAIYSE-UHFFFAOYSA-N 1 2 308.345 2.820 50 0 DFAALO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3CC3CC3)n2)cc1 ZINC000067898753 425914748 /nfs/dbraw/zinc/91/47/48/425914748.db2.gz SQKZXEKPEAJUBA-INIZCTEOSA-N 1 2 301.365 2.999 50 0 biogenic,in-vitro DFAALO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3CC3CC3)n2)cc1 ZINC000067898753 425914749 /nfs/dbraw/zinc/91/47/49/425914749.db2.gz SQKZXEKPEAJUBA-INIZCTEOSA-N 1 2 301.365 2.999 50 0 biogenic,in-vitro DFAALO CCOC(=O)c1c[nH+]c2c(CC)cccc2c1NC[C@@H](C)O ZINC000000131535 425539540 /nfs/dbraw/zinc/53/95/40/425539540.db2.gz ZZAIYHMIAAWMQV-LLVKDONJSA-N 1 2 302.374 2.767 50 0 DFAALO CCN1CNC(SCc2ccc(Br)cc2)=[NH+]C1 ZINC000000144777 425540261 /nfs/dbraw/zinc/54/02/61/425540261.db2.gz PWEGALMGXUMFLR-UHFFFAOYSA-N 1 2 314.252 2.878 50 0 DFAALO CC(=O)c1ccccc1OC[C@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000000810210 425573009 /nfs/dbraw/zinc/57/30/09/425573009.db2.gz AWJBEAYQYJRQHK-OAHLLOKOSA-N 1 2 324.380 2.987 50 0 DFAALO COc1cc(C[NH+]2CCSCC2)cc(Br)c1O ZINC000000239869 425548371 /nfs/dbraw/zinc/54/83/71/425548371.db2.gz UHVDFCFBENLBOH-UHFFFAOYSA-N 1 2 318.236 2.712 50 0 DFAALO Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012898 425658298 /nfs/dbraw/zinc/65/82/98/425658298.db2.gz PTFMTROQBSVMLH-GFCCVEGCSA-N 1 2 324.384 2.897 50 0 DFAALO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc2c(c1)OCO2 ZINC000008134550 425660543 /nfs/dbraw/zinc/66/05/43/425660543.db2.gz SCINWIAMDQYCHW-UHFFFAOYSA-N 1 2 323.352 2.503 50 0 DFAALO CC(C)n1nnnc1SCc1cn2cc(Cl)ccc2[nH+]1 ZINC000008307993 425665227 /nfs/dbraw/zinc/66/52/27/425665227.db2.gz FFFDKKQBDYFJHG-UHFFFAOYSA-N 1 2 308.798 2.847 50 0 DFAALO Cn1ncc2c1nc(NCc1ccccc1)[nH+]c2N1CCCCC1 ZINC000004375008 425619178 /nfs/dbraw/zinc/61/91/78/425619178.db2.gz LKJOMQRHLPODBF-UHFFFAOYSA-N 1 2 322.416 2.966 50 0 DFAALO Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c(C)n1C1CC1 ZINC000008943803 425678698 /nfs/dbraw/zinc/67/86/98/425678698.db2.gz APHJYNHODYOTDB-UHFFFAOYSA-N 1 2 324.428 2.797 50 0 DFAALO Cc1ccc(-n2ncc3c2nc[nH+]c3NC[C@H](C)O)cc1Cl ZINC000010386345 425701642 /nfs/dbraw/zinc/70/16/42/425701642.db2.gz NFAAVAMQQWLMPO-JTQLQIEISA-N 1 2 317.780 2.570 50 0 DFAALO Cn1cc[nH+]c1[C@@H](NC(=O)C1CCCC1)c1ccccc1F ZINC000012531849 425729221 /nfs/dbraw/zinc/72/92/21/425729221.db2.gz GPWRWXSWYJENEH-HNNXBMFYSA-N 1 2 301.365 2.955 50 0 DFAALO COc1ccc2c(c1)[nH]c1c2CC[NH2+][C@@]12c1ccccc1NC2=O ZINC000019804812 425789616 /nfs/dbraw/zinc/78/96/16/425789616.db2.gz WMAYESUWLHFVIV-IBGZPJMESA-N 1 2 319.364 2.518 50 0 DFAALO Fc1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000020534532 425793256 /nfs/dbraw/zinc/79/32/56/425793256.db2.gz HCHYXUAOQBBIFT-UHFFFAOYSA-N 1 2 306.772 2.591 50 0 DFAALO Fc1cccc(Cl)c1C[NH+]1CCN(c2ncccn2)CC1 ZINC000023281141 425798448 /nfs/dbraw/zinc/79/84/48/425798448.db2.gz JPYSGWZWYAPJNZ-UHFFFAOYSA-N 1 2 306.772 2.591 50 0 DFAALO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413479 425805830 /nfs/dbraw/zinc/80/58/30/425805830.db2.gz FMCIVHANBUYTSD-MJBXVCDLSA-N 1 2 313.401 2.671 50 0 DFAALO C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413479 425805832 /nfs/dbraw/zinc/80/58/32/425805832.db2.gz FMCIVHANBUYTSD-MJBXVCDLSA-N 1 2 313.401 2.671 50 0 DFAALO c1csc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)c1 ZINC000013127121 425748971 /nfs/dbraw/zinc/74/89/71/425748971.db2.gz TXVAHHFZOAPEOR-HNNXBMFYSA-N 1 2 308.366 2.811 50 0 DFAALO CCc1ccc(NC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000013324738 425751654 /nfs/dbraw/zinc/75/16/54/425751654.db2.gz JTWZKLOMQJTFSD-UHFFFAOYSA-N 1 2 324.428 2.994 50 0 DFAALO CC[C@@H](Oc1cc(C)ccc1Cl)C(=O)N1CC[NH+](C)CC1 ZINC000013328094 425753067 /nfs/dbraw/zinc/75/30/67/425753067.db2.gz SKUQLJMJOOKIFJ-CQSZACIVSA-N 1 2 310.825 2.580 50 0 DFAALO O=C(c1ccc(Cl)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000013744860 425760171 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O=C(Cc1ccsc1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000077425893 426133371 /nfs/dbraw/zinc/13/33/71/426133371.db2.gz XZOYQLINJJBJMW-OAHLLOKOSA-N 1 2 303.431 2.959 50 0 DFAALO CC[C@@H](NC(=O)NCc1[nH+]ccn1C)c1cc(F)ccc1F ZINC000077581656 426140417 /nfs/dbraw/zinc/14/04/17/426140417.db2.gz HUPXNTZQCBNKTB-CYBMUJFWSA-N 1 2 308.332 2.649 50 0 DFAALO Cc1[nH]ncc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000078553278 426174576 /nfs/dbraw/zinc/17/45/76/426174576.db2.gz SNBMEMMCMIYAEL-UHFFFAOYSA-N 1 2 310.195 2.649 50 0 DFAALO Cc1nc2[nH]ccc2c(N2CCO[C@H](c3cccc(O)c3)C2)[nH+]1 ZINC000089602216 426299411 /nfs/dbraw/zinc/29/94/11/426299411.db2.gz IAQYHWLOADQUAI-HNNXBMFYSA-N 1 2 310.357 2.550 50 0 DFAALO C[C@@H](C1CC1)N(C(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000089894188 426316089 /nfs/dbraw/zinc/31/60/89/426316089.db2.gz JXVRPVAQINZLDS-ZDUSSCGKSA-N 1 2 312.417 2.849 50 0 DFAALO Cc1[nH]c2ccc(-c3nc(C4CCCC4)nn3CCO)cc2[nH+]1 ZINC000096131095 426400733 /nfs/dbraw/zinc/40/07/33/426400733.db2.gz URBLUTGEIXSKSJ-UHFFFAOYSA-N 1 2 311.389 2.780 50 0 DFAALO Cc1[nH]c2cc(-c3nc(C4CCCC4)nn3CCO)ccc2[nH+]1 ZINC000096131095 426400738 /nfs/dbraw/zinc/40/07/38/426400738.db2.gz URBLUTGEIXSKSJ-UHFFFAOYSA-N 1 2 311.389 2.780 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(-c2cc[nH]n2)cc1 ZINC000095367524 426368638 /nfs/dbraw/zinc/36/86/38/426368638.db2.gz IQNRAASTIMPMGO-UHFFFAOYSA-N 1 2 323.400 2.863 50 0 DFAALO O=C(CCCn1cc[nH+]c1)Nc1ccc(-n2cccn2)c(F)c1 ZINC000095377520 426369950 /nfs/dbraw/zinc/36/99/50/426369950.db2.gz PCLAFRKHFBMRSE-UHFFFAOYSA-N 1 2 313.336 2.627 50 0 DFAALO Cc1cccn2c(CNc3cccnc3-n3cccn3)c[nH+]c12 ZINC000095939359 426375302 /nfs/dbraw/zinc/37/53/02/426375302.db2.gz YQTKCPDDOUJLMX-UHFFFAOYSA-N 1 2 304.357 2.836 50 0 DFAALO C[C@H](c1ccccn1)[NH+]1CCN(C(=O)N[C@@H](C)C2CCC2)CC1 ZINC000095943352 426375702 /nfs/dbraw/zinc/37/57/02/426375702.db2.gz FGUCJNPNMFMQHY-LSDHHAIUSA-N 1 2 316.449 2.658 50 0 DFAALO O=C1[C@H]([NH2+]Cc2csc(C3CC3)n2)CCN1c1ccccc1 ZINC000095959249 426377456 /nfs/dbraw/zinc/37/74/56/426377456.db2.gz GARSPUXTRWVIHW-OAHLLOKOSA-N 1 2 313.426 2.916 50 0 DFAALO CN(CC1CCC1)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000095957621 426377815 /nfs/dbraw/zinc/37/78/15/426377815.db2.gz LDAIRFIOCQKHBZ-INIZCTEOSA-N 1 2 312.417 2.951 50 0 DFAALO Cc1cc(N2CCCC[C@H]2CNC(=O)OC(C)(C)C)nc[nH+]1 ZINC000095972399 426380392 /nfs/dbraw/zinc/38/03/92/426380392.db2.gz OJFDVDTZKZRCAL-ZDUSSCGKSA-N 1 2 306.410 2.669 50 0 DFAALO O[C@H](COc1ccc(F)cc1)Cn1cc[nH+]c1-c1cccnc1 ZINC000095974669 426380469 /nfs/dbraw/zinc/38/04/69/426380469.db2.gz UCBGKRMHLIZAOV-HNNXBMFYSA-N 1 2 313.332 2.524 50 0 DFAALO Cc1cnc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)o1 ZINC000095984669 426382475 /nfs/dbraw/zinc/38/24/75/426382475.db2.gz SSALJTGGNAITFH-GFCCVEGCSA-N 1 2 301.346 2.790 50 0 DFAALO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1nnc(C2CC2)n1C ZINC000095985411 426383655 /nfs/dbraw/zinc/38/36/55/426383655.db2.gz XWRJRZRCNURPPN-SNVBAGLBSA-N 1 2 304.369 2.691 50 0 DFAALO Cn1cc[nH+]c1[C@@H](NC(=O)/C=C\c1ccco1)c1ccccc1 ZINC000096400602 426413938 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CC1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CCOCC1 ZINC000096436763 426424601 /nfs/dbraw/zinc/42/46/01/426424601.db2.gz OATWITOHZDNZIY-UHFFFAOYSA-N 1 2 313.401 2.580 50 0 DFAALO Cc1ncccc1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436738 426425021 /nfs/dbraw/zinc/42/50/21/426425021.db2.gz VRVNLQLMNRZAHC-UHFFFAOYSA-N 1 2 306.369 2.780 50 0 DFAALO Cc1ccc(C)c([C@H]2C[N@H+](CCN3CCOC3=O)[C@H](C)CO2)c1 ZINC000096441489 426425907 /nfs/dbraw/zinc/42/59/07/426425907.db2.gz UQVPUULDDZPVOV-NVXWUHKLSA-N 1 2 318.417 2.517 50 0 DFAALO Cc1ccc(C)c([C@H]2C[N@@H+](CCN3CCOC3=O)[C@H](C)CO2)c1 ZINC000096441489 426425908 /nfs/dbraw/zinc/42/59/08/426425908.db2.gz UQVPUULDDZPVOV-NVXWUHKLSA-N 1 2 318.417 2.517 50 0 DFAALO C[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[C@H]1c1ccccc1 ZINC000096440543 426426190 /nfs/dbraw/zinc/42/61/90/426426190.db2.gz SJAMHWDPLODASE-GOEBONIOSA-N 1 2 312.417 2.755 50 0 DFAALO CSC[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000096440461 426426300 /nfs/dbraw/zinc/42/63/00/426426300.db2.gz OCQBVMBRBOLTRU-STQMWFEESA-N 1 2 318.446 2.984 50 0 DFAALO c1cn(-c2ccc(CSCc3nnnn3C3CC3)cc2)c[nH+]1 ZINC000096448016 426428020 /nfs/dbraw/zinc/42/80/20/426428020.db2.gz YUDJTWYAVAOWRQ-UHFFFAOYSA-N 1 2 312.402 2.627 50 0 DFAALO OCCC1(CNc2cc(C(F)(F)F)cc[nH+]2)CCOCC1 ZINC000096455806 426430302 /nfs/dbraw/zinc/43/03/02/426430302.db2.gz XGXGTTZCVLRORX-UHFFFAOYSA-N 1 2 304.312 2.692 50 0 DFAALO c1csc(-c2nnc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c1 ZINC000096480684 426433762 /nfs/dbraw/zinc/43/37/62/426433762.db2.gz LPTYMXIFHSQBMB-CMPLNLGQSA-N 1 2 323.443 2.504 50 0 DFAALO c1csc(-c2nnc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)o2)c1 ZINC000096480684 426433763 /nfs/dbraw/zinc/43/37/63/426433763.db2.gz LPTYMXIFHSQBMB-CMPLNLGQSA-N 1 2 323.443 2.504 50 0 DFAALO C[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)C[C@H]1n1cc[nH+]c1 ZINC000123424179 426433923 /nfs/dbraw/zinc/43/39/23/426433923.db2.gz VFAFKADCDVDWJO-DGCLKSJQSA-N 1 2 303.341 2.532 50 0 DFAALO COc1ccc(C[C@H](C)[N@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000096483213 426434331 /nfs/dbraw/zinc/43/43/31/426434331.db2.gz KWJWMPDEXFEZTA-LBPRGKRZSA-N 1 2 320.462 2.676 50 0 DFAALO COc1ccc(C[C@H](C)[N@@H+](C)Cc2nsc(N(C)C)n2)cc1 ZINC000096483213 426434334 /nfs/dbraw/zinc/43/43/34/426434334.db2.gz KWJWMPDEXFEZTA-LBPRGKRZSA-N 1 2 320.462 2.676 50 0 DFAALO Cc1ncccc1C[NH+]1CCN(C(=O)CC2CCCC2)CC1 ZINC000096489653 426434705 /nfs/dbraw/zinc/43/47/05/426434705.db2.gz ZCIZXGUNXADGCG-UHFFFAOYSA-N 1 2 301.434 2.615 50 0 DFAALO Cc1nnc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000096491037 426435469 /nfs/dbraw/zinc/43/54/69/426435469.db2.gz POBCWGOQQOACFF-SECBINFHSA-N 1 2 302.403 2.582 50 0 DFAALO COc1ccnc(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000096490108 426435871 /nfs/dbraw/zinc/43/58/71/426435871.db2.gz QYUVHGWXMUTZKI-UHFFFAOYSA-N 1 2 309.325 2.633 50 0 DFAALO O=S(=O)(Nc1cc[nH+]cc1)c1ccc(OCC(F)F)cc1 ZINC000096501911 426438056 /nfs/dbraw/zinc/43/80/56/426438056.db2.gz VWEPPZNBDFZDAJ-UHFFFAOYSA-N 1 2 314.313 2.526 50 0 DFAALO Cc1ccc([C@](O)(CC[NH2+]Cc2cn[nH]c2C)C(F)(F)F)o1 ZINC000097159898 426455743 /nfs/dbraw/zinc/45/57/43/426455743.db2.gz SNFKQTVTMBXFSV-CYBMUJFWSA-N 1 2 317.311 2.549 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)Cn1c(C)cc3ccccc31)C2 ZINC000097198449 426457452 /nfs/dbraw/zinc/45/74/52/426457452.db2.gz NABSSRHCHPKTTM-MRXNPFEDSA-N 1 2 322.412 2.586 50 0 DFAALO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)COC1CCCC1)C2 ZINC000097199038 426457895 /nfs/dbraw/zinc/45/78/95/426457895.db2.gz GATNQSSLPPPEJP-CYBMUJFWSA-N 1 2 319.449 2.571 50 0 DFAALO O=C(CCCc1ccc(Cl)cc1)N[C@H]1CCc2[nH+]ccn2C1 ZINC000097197577 426458161 /nfs/dbraw/zinc/45/81/61/426458161.db2.gz BTCVYSVRNQAEHN-HNNXBMFYSA-N 1 2 317.820 2.990 50 0 DFAALO Cc1cc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3[nH]c2=O)no1 ZINC000097201376 426458498 /nfs/dbraw/zinc/45/84/98/426458498.db2.gz GPTGCZDNZWXPPD-INIZCTEOSA-N 1 2 310.357 2.557 50 0 DFAALO Cc1cc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3[nH]c2=O)no1 ZINC000097201376 426458502 /nfs/dbraw/zinc/45/85/02/426458502.db2.gz GPTGCZDNZWXPPD-INIZCTEOSA-N 1 2 310.357 2.557 50 0 DFAALO Clc1ccc(-c2nnc(CN3CCn4cc[nH+]c4C3)o2)cc1 ZINC000097201758 426458650 /nfs/dbraw/zinc/45/86/50/426458650.db2.gz AYIVCMIVVQHRRJ-UHFFFAOYSA-N 1 2 315.764 2.602 50 0 DFAALO CCn1cc[nH+]c1CN(C)C(=O)[C@@H]1CCOc2ccccc2C1 ZINC000097347382 426464565 /nfs/dbraw/zinc/46/45/65/426464565.db2.gz NKIDWBAETMHFMD-OAHLLOKOSA-N 1 2 313.401 2.503 50 0 DFAALO CCc1cc(C[N@H+](C)Cc2cc3c(cc2OC)OCCO3)on1 ZINC000215422548 426554574 /nfs/dbraw/zinc/55/45/74/426554574.db2.gz BDBZSIHEEKQZIL-UHFFFAOYSA-N 1 2 318.373 2.649 50 0 DFAALO CCc1cc(C[N@@H+](C)Cc2cc3c(cc2OC)OCCO3)on1 ZINC000215422548 426554581 /nfs/dbraw/zinc/55/45/81/426554581.db2.gz BDBZSIHEEKQZIL-UHFFFAOYSA-N 1 2 318.373 2.649 50 0 DFAALO COc1cccc(C[NH+]2CCC2)c1OCCCn1cc[nH+]c1 ZINC000215170145 426550639 /nfs/dbraw/zinc/55/06/39/426550639.db2.gz RNFRGFRGVAEFRX-UHFFFAOYSA-N 1 2 301.390 2.567 50 0 DFAALO COc1cc(F)c(C[N@H+](C)Cc2[nH]nc3c2CCC3)cc1OC ZINC000215317663 426552489 /nfs/dbraw/zinc/55/24/89/426552489.db2.gz XJLZRSYHFZSGKE-UHFFFAOYSA-N 1 2 319.380 2.687 50 0 DFAALO COc1cc(F)c(C[N@@H+](C)Cc2[nH]nc3c2CCC3)cc1OC ZINC000215317663 426552494 /nfs/dbraw/zinc/55/24/94/426552494.db2.gz XJLZRSYHFZSGKE-UHFFFAOYSA-N 1 2 319.380 2.687 50 0 DFAALO Cc1cn2cc(C(=O)NC[C@H]3OCCc4ccccc43)ccc2[nH+]1 ZINC000218850082 426570106 /nfs/dbraw/zinc/57/01/06/426570106.db2.gz PEQVLGMGTZESBG-QGZVFWFLSA-N 1 2 321.380 2.687 50 0 DFAALO CCOC(=O)N1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000220053801 426575174 /nfs/dbraw/zinc/57/51/74/426575174.db2.gz LPOWZNZRSGZGCS-UHFFFAOYSA-N 1 2 318.417 2.674 50 0 DFAALO Cc1csc([C@@H]2C[N@H+](C[C@@H](O)c3cccc(F)c3)CCO2)n1 ZINC000222187807 426582018 /nfs/dbraw/zinc/58/20/18/426582018.db2.gz QXWOPMFENVOJCN-CABCVRRESA-N 1 2 322.405 2.698 50 0 DFAALO Cc1csc([C@@H]2C[N@@H+](C[C@@H](O)c3cccc(F)c3)CCO2)n1 ZINC000222187807 426582023 /nfs/dbraw/zinc/58/20/23/426582023.db2.gz QXWOPMFENVOJCN-CABCVRRESA-N 1 2 322.405 2.698 50 0 DFAALO OCc1ccc(NCc2c(F)cccc2N2CCCC2)[nH+]c1 ZINC000225414275 426598755 /nfs/dbraw/zinc/59/87/55/426598755.db2.gz FEPKXKOFNOMKKX-UHFFFAOYSA-N 1 2 301.365 2.925 50 0 DFAALO Cc1noc(C)c1[C@@H](C)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000225479163 426602971 /nfs/dbraw/zinc/60/29/71/426602971.db2.gz SDVHASQUJPHLOP-SNVBAGLBSA-N 1 2 319.434 2.808 50 0 DFAALO Cc1noc(C)c1[C@@H](C)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000225479163 426602980 /nfs/dbraw/zinc/60/29/80/426602980.db2.gz SDVHASQUJPHLOP-SNVBAGLBSA-N 1 2 319.434 2.808 50 0 DFAALO CCc1nc(N2C[C@H](O)C[C@@H]2c2cccc(OC)c2)cc(C)[nH+]1 ZINC000225474959 426603614 /nfs/dbraw/zinc/60/36/14/426603614.db2.gz VGTWWVSPIHSCTQ-GDBMZVCRSA-N 1 2 313.401 2.668 50 0 DFAALO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000225667563 426608074 /nfs/dbraw/zinc/60/80/74/426608074.db2.gz GUWPUUNFDRBWSA-LBPRGKRZSA-N 1 2 306.431 2.655 50 0 DFAALO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCSCC[C@@H]1C ZINC000225667563 426608076 /nfs/dbraw/zinc/60/80/76/426608076.db2.gz GUWPUUNFDRBWSA-LBPRGKRZSA-N 1 2 306.431 2.655 50 0 DFAALO Cc1c[nH]c(CN(C)Cc2nn(C)c3cccc(Cl)c23)[nH+]1 ZINC000216388389 426559628 /nfs/dbraw/zinc/55/96/28/426559628.db2.gz VMTGZJJHBUDJJF-UHFFFAOYSA-N 1 2 303.797 2.890 50 0 DFAALO C[C@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 ZINC000229778121 426638301 /nfs/dbraw/zinc/63/83/01/426638301.db2.gz MXYRZEWGJXLLQF-BLLLJJGKSA-N 1 2 320.408 2.645 50 0 DFAALO C[C@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC(C)(C)O1 ZINC000229778121 426638306 /nfs/dbraw/zinc/63/83/06/426638306.db2.gz MXYRZEWGJXLLQF-BLLLJJGKSA-N 1 2 320.408 2.645 50 0 DFAALO COc1c(C)c[nH+]c(CN(C)c2ccnc3c2cnn3C)c1C ZINC000280663310 426629641 /nfs/dbraw/zinc/62/96/41/426629641.db2.gz BQIIBLXQGZZYAK-UHFFFAOYSA-N 1 2 311.389 2.625 50 0 DFAALO Cc1cnccc1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000274438577 426770465 /nfs/dbraw/zinc/77/04/65/426770465.db2.gz AMVLMNFLYXCQOU-UHFFFAOYSA-N 1 2 324.428 2.951 50 0 DFAALO CCCN(Cc1[nH+]ccn1C)C(=O)Nc1ccc2c(c1)COC2 ZINC000244633245 426723245 /nfs/dbraw/zinc/72/32/45/426723245.db2.gz FZRPJAPHUFDLPN-UHFFFAOYSA-N 1 2 314.389 2.894 50 0 DFAALO COCC[N@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 ZINC000244708007 426726396 /nfs/dbraw/zinc/72/63/96/426726396.db2.gz KLXKYMXASAZZOI-AWEZNQCLSA-N 1 2 322.424 2.721 50 0 DFAALO COCC[N@@H+](Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 ZINC000244708007 426726400 /nfs/dbraw/zinc/72/64/00/426726400.db2.gz KLXKYMXASAZZOI-AWEZNQCLSA-N 1 2 322.424 2.721 50 0 DFAALO O=C(NC[C@@H](c1ccoc1)[NH+]1CCSCC1)[C@H]1CC=CCC1 ZINC000244909779 426731520 /nfs/dbraw/zinc/73/15/20/426731520.db2.gz AVBHEXLGUGPSLI-HOCLYGCPSA-N 1 2 320.458 2.842 50 0 DFAALO NC(=O)c1cc([NH+]2CCCCC2)ccc1NCC[C@@H]1CCCO1 ZINC000189590589 426899211 /nfs/dbraw/zinc/89/92/11/426899211.db2.gz WUEDLBITQMGTQU-HNNXBMFYSA-N 1 2 317.433 2.757 50 0 DFAALO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 ZINC000247820241 426962982 /nfs/dbraw/zinc/96/29/82/426962982.db2.gz GDHXEWIVGXFWFA-BFHYXJOUSA-N 1 2 315.442 2.796 50 0 DFAALO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000248127776 426981610 /nfs/dbraw/zinc/98/16/10/426981610.db2.gz XNHREYPQVAKHSP-GUTXKFCHSA-N 1 2 316.449 2.765 50 0 DFAALO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000248127776 426981616 /nfs/dbraw/zinc/98/16/16/426981616.db2.gz XNHREYPQVAKHSP-GUTXKFCHSA-N 1 2 316.449 2.765 50 0 DFAALO CCn1cc([C@H]2OCCC[C@@H]2Nc2cc[nH+]c(C(C)C)n2)cn1 ZINC000328628319 426985653 /nfs/dbraw/zinc/98/56/53/426985653.db2.gz NOYWJGFXSKCCIY-GOEBONIOSA-N 1 2 315.421 3.149 50 0 DFAALO CCc1[nH+]ccn1[C@@H]1CCCN([C@H](C)c2nc(C)cc(=O)[nH]2)C1 ZINC000248724438 427033805 /nfs/dbraw/zinc/03/38/05/427033805.db2.gz HOPJZPWRIFIZAS-ZIAGYGMSSA-N 1 2 315.421 2.648 50 0 DFAALO COc1cccc([C@H]2C[C@H](O)CN2c2cc[nH+]c3ccncc32)c1 ZINC000283679857 427054915 /nfs/dbraw/zinc/05/49/15/427054915.db2.gz ZCQMERQITWOGJD-IFXJQAMLSA-N 1 2 321.380 2.951 50 0 DFAALO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1c(C)nn(C)c1C ZINC000283814924 427082611 /nfs/dbraw/zinc/08/26/11/427082611.db2.gz SCPRVCRZHVPKLD-AWEZNQCLSA-N 1 2 315.421 2.621 50 0 DFAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cn2ccccc2n1 ZINC000249710671 427137904 /nfs/dbraw/zinc/13/79/04/427137904.db2.gz DKEINZADBPCOBJ-IMJJTQAJSA-N 1 2 313.401 2.640 50 0 DFAALO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cn2ccccc2n1 ZINC000249710671 427137913 /nfs/dbraw/zinc/13/79/13/427137913.db2.gz DKEINZADBPCOBJ-IMJJTQAJSA-N 1 2 313.401 2.640 50 0 DFAALO Cc1c[nH]c(C[N@H+](C)CCC(=O)NCc2cccc(Cl)c2)n1 ZINC000252482842 427179101 /nfs/dbraw/zinc/17/91/01/427179101.db2.gz DOZKVBNEYTWORR-UHFFFAOYSA-N 1 2 320.824 2.510 50 0 DFAALO Cc1c[nH]c(C[N@@H+](C)CCC(=O)NCc2cccc(Cl)c2)n1 ZINC000252482842 427179109 /nfs/dbraw/zinc/17/91/09/427179109.db2.gz DOZKVBNEYTWORR-UHFFFAOYSA-N 1 2 320.824 2.510 50 0 DFAALO CCC[C@H]1c2[nH+]ccn2CCCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC000253413903 427204339 /nfs/dbraw/zinc/20/43/39/427204339.db2.gz VYSANYNTIVOVRH-HNNXBMFYSA-N 1 2 313.405 2.871 50 0 DFAALO CC[C@@H]1c2[nH+]ccn2CCCN1C(=O)Cc1ccc(OC)cc1 ZINC000253407412 427204653 /nfs/dbraw/zinc/20/46/53/427204653.db2.gz JVYHGRXPLXLSOF-MRXNPFEDSA-N 1 2 313.401 2.818 50 0 DFAALO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000253417821 427205800 /nfs/dbraw/zinc/20/58/00/427205800.db2.gz DSASKVFSPXIXLE-UHFFFAOYSA-N 1 2 322.368 2.764 50 0 DFAALO Cc1[nH]c[nH+]c1CC(=O)NCc1ccc(Oc2ccccc2)nc1 ZINC000253417821 427205809 /nfs/dbraw/zinc/20/58/09/427205809.db2.gz DSASKVFSPXIXLE-UHFFFAOYSA-N 1 2 322.368 2.764 50 0 DFAALO Cc1noc(C)c1C(=O)N1CCCn2cc[nH+]c2[C@H]1C(C)C ZINC000253405585 427206312 /nfs/dbraw/zinc/20/63/12/427206312.db2.gz IJGAJFBPDLQXAT-CQSZACIVSA-N 1 2 302.378 2.731 50 0 DFAALO O=C(C1CCOCC1)N1CCCn2cc[nH+]c2[C@H]1C1CCCC1 ZINC000257186385 427306105 /nfs/dbraw/zinc/30/61/05/427306105.db2.gz KJBXCPDZSUFREE-MRXNPFEDSA-N 1 2 317.433 2.773 50 0 DFAALO CCn1ncc(C(=O)N2CCCn3cc[nH+]c3[C@@H]2C(C)C)c1C ZINC000257184523 427306840 /nfs/dbraw/zinc/30/68/40/427306840.db2.gz IPLKIAJQKNZLCI-HNNXBMFYSA-N 1 2 315.421 2.651 50 0 DFAALO C[C@H]1C[C@@H](c2ccccc2)CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000277929106 427362199 /nfs/dbraw/zinc/36/21/99/427362199.db2.gz WEAVNYSBNNELMO-DOTOQJQBSA-N 1 2 324.428 2.696 50 0 DFAALO C[C@H]1C[C@@H](c2ccccc2)CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC000277929106 427362203 /nfs/dbraw/zinc/36/22/03/427362203.db2.gz WEAVNYSBNNELMO-DOTOQJQBSA-N 1 2 324.428 2.696 50 0 DFAALO Cc1[nH]c2ccc(CC(=O)N(C)CCC[C@@H]3CCCO3)cc2[nH+]1 ZINC000299768043 427767554 /nfs/dbraw/zinc/76/75/54/427767554.db2.gz FGXJFFITJABSJA-OAHLLOKOSA-N 1 2 315.417 2.831 50 0 DFAALO Cc1[nH]c2cc(CC(=O)N(C)CCC[C@@H]3CCCO3)ccc2[nH+]1 ZINC000299768043 427767556 /nfs/dbraw/zinc/76/75/56/427767556.db2.gz FGXJFFITJABSJA-OAHLLOKOSA-N 1 2 315.417 2.831 50 0 DFAALO C[NH+](C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C[C@@H]1CCC(=O)[O-] ZINC000299765041 427767975 /nfs/dbraw/zinc/76/79/75/427767975.db2.gz ZMEBISHRFBMOTO-GOEBONIOSA-N 1 2 324.852 2.957 50 0 DFAALO C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1CCC(=O)[O-] ZINC000299765041 427767978 /nfs/dbraw/zinc/76/79/78/427767978.db2.gz ZMEBISHRFBMOTO-GOEBONIOSA-N 1 2 324.852 2.957 50 0 DFAALO C[C@@H](C(=O)Nc1nccs1)[N@H+](Cc1cccc(O)c1)C1CC1 ZINC000299773827 427768252 /nfs/dbraw/zinc/76/82/52/427768252.db2.gz FFKRNLWNONXOLD-NSHDSACASA-N 1 2 317.414 2.840 50 0 DFAALO C[C@@H](C(=O)Nc1nccs1)[N@@H+](Cc1cccc(O)c1)C1CC1 ZINC000299773827 427768254 /nfs/dbraw/zinc/76/82/54/427768254.db2.gz FFKRNLWNONXOLD-NSHDSACASA-N 1 2 317.414 2.840 50 0 DFAALO CN(C[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1-c1ccccc1 ZINC000299774691 427768554 /nfs/dbraw/zinc/76/85/54/427768554.db2.gz IRQWIXZEOCQIGX-MRXNPFEDSA-N 1 2 313.401 2.578 50 0 DFAALO O=C(c1cccn1C1CC1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299782082 427768788 /nfs/dbraw/zinc/76/87/88/427768788.db2.gz XDDHAKUKGXZWNH-UHFFFAOYSA-N 1 2 311.385 2.902 50 0 DFAALO COc1ccccc1N1CCN(Cc2[nH]c(C)c(C)[nH+]2)[C@@H](C)C1 ZINC000299781047 427769476 /nfs/dbraw/zinc/76/94/76/427769476.db2.gz UKFSMTCPHZQWTG-ZDUSSCGKSA-N 1 2 314.433 2.746 50 0 DFAALO O=C(NC[C@H]1CCOC1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000299796806 427770491 /nfs/dbraw/zinc/77/04/91/427770491.db2.gz PTKUOLBVOQRCKO-LLVKDONJSA-N 1 2 320.780 2.684 50 0 DFAALO C[NH+](C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C[C@@H]1CCC(=O)[O-] ZINC000299790446 427770537 /nfs/dbraw/zinc/77/05/37/427770537.db2.gz BQNZQHQRARANRV-GOEBONIOSA-N 1 2 324.852 2.957 50 0 DFAALO C[NH+](C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C[C@@H]1CCC(=O)[O-] ZINC000299790446 427770539 /nfs/dbraw/zinc/77/05/39/427770539.db2.gz BQNZQHQRARANRV-GOEBONIOSA-N 1 2 324.852 2.957 50 0 DFAALO COc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240661 427965116 /nfs/dbraw/zinc/96/51/16/427965116.db2.gz VIPXLOPAMBKGAT-CZUORRHYSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240661 427965122 /nfs/dbraw/zinc/96/51/22/427965122.db2.gz VIPXLOPAMBKGAT-CZUORRHYSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000340240659 427965372 /nfs/dbraw/zinc/96/53/72/427965372.db2.gz VIPXLOPAMBKGAT-CJNGLKHVSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)c(F)c2)n1 ZINC000340240659 427965375 /nfs/dbraw/zinc/96/53/75/427965375.db2.gz VIPXLOPAMBKGAT-CJNGLKHVSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cc[nH+]c(CN2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000340239332 427965926 /nfs/dbraw/zinc/96/59/26/427965926.db2.gz YDCWGRUUYRZLLT-GUYCJALGSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240663 427966462 /nfs/dbraw/zinc/96/64/62/427966462.db2.gz VIPXLOPAMBKGAT-XJKSGUPXSA-N 1 2 320.339 2.676 50 0 DFAALO COc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000340240663 427966465 /nfs/dbraw/zinc/96/64/65/427966465.db2.gz VIPXLOPAMBKGAT-XJKSGUPXSA-N 1 2 320.339 2.676 50 0 DFAALO Cc1nc(NCCCc2ccc(F)cc2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426612288 429404145 /nfs/dbraw/zinc/40/41/45/429404145.db2.gz GCWRTANLBDQMBZ-OAHLLOKOSA-N 1 2 315.392 3.473 50 0 DFAALO O=C(Nc1ccccc1-c1cn2c([nH+]1)CCCC2)[C@H]1CCOC1 ZINC000575609344 430086232 /nfs/dbraw/zinc/08/62/32/430086232.db2.gz WDXCHIHMANKMQD-ZDUSSCGKSA-N 1 2 311.385 2.861 50 0 DFAALO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000051112612 278316673 /nfs/dbraw/zinc/31/66/73/278316673.db2.gz UCOCLHSGGJNMGH-CQSZACIVSA-N 1 2 305.385 2.782 50 0 DFAALO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000051112612 278316676 /nfs/dbraw/zinc/31/66/76/278316676.db2.gz UCOCLHSGGJNMGH-CQSZACIVSA-N 1 2 305.385 2.782 50 0 DFAALO NC(=O)C[N@H+](Cc1sccc1Br)C1CCCC1 ZINC000043511736 303250397 /nfs/dbraw/zinc/25/03/97/303250397.db2.gz PPQJQSFUTVVVES-UHFFFAOYSA-N 1 2 317.252 2.741 50 0 DFAALO NC(=O)C[N@@H+](Cc1sccc1Br)C1CCCC1 ZINC000043511736 303250399 /nfs/dbraw/zinc/25/03/99/303250399.db2.gz PPQJQSFUTVVVES-UHFFFAOYSA-N 1 2 317.252 2.741 50 0 DFAALO Cc1ccc(CCCNc2ccccc2O[C@H]2CC(=O)N2)c[nH+]1 ZINC000421410952 316735577 /nfs/dbraw/zinc/73/55/77/316735577.db2.gz PXALYYUBGOIMOE-SFHVURJKSA-N 1 2 311.385 2.660 50 0 DFAALO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000130257279 323212270 /nfs/dbraw/zinc/21/22/70/323212270.db2.gz HATSDNFQIODLSE-HIFRSBDPSA-N 1 2 308.447 2.522 50 0 DFAALO Cc1oc(C)c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000033238148 331640768 /nfs/dbraw/zinc/64/07/68/331640768.db2.gz GOPTXAVQDIJLGQ-UHFFFAOYSA-N 1 2 313.401 2.558 50 0 DFAALO Cc1ccc(CC2(NC(=O)C[N@@H+](C)Cc3cccnc3)CC2)cc1 ZINC000534589080 334293467 /nfs/dbraw/zinc/29/34/67/334293467.db2.gz NHUXVAQBKIHPLW-UHFFFAOYSA-N 1 2 323.440 2.713 50 0 DFAALO Cc1ccc(CC2(NC(=O)C[N@H+](C)Cc3cccnc3)CC2)cc1 ZINC000534589080 334293469 /nfs/dbraw/zinc/29/34/69/334293469.db2.gz NHUXVAQBKIHPLW-UHFFFAOYSA-N 1 2 323.440 2.713 50 0 DFAALO Cc1cccnc1[C@H](NC(=O)C1(Cn2cc[nH+]c2)CC1)C1CC1 ZINC000534649259 334316808 /nfs/dbraw/zinc/31/68/08/334316808.db2.gz VCBLXLOTWFOLES-MRXNPFEDSA-N 1 2 310.401 2.634 50 0 DFAALO Cc1nc(-c2ccc(F)cc2)ccc1C(=O)N1CC[NH+](C)CC1 ZINC000257173772 563567861 /nfs/dbraw/zinc/56/78/61/563567861.db2.gz 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C[C@H]1CO[C@@H](c2ccccc2Cl)C[N@H+]1CCN1CCCC1=O ZINC000071897388 426000522 /nfs/dbraw/zinc/00/05/22/426000522.db2.gz INGVWRQLQBZBHW-XJKSGUPXSA-N 1 2 322.836 2.724 50 0 DFAALO CO[C@H](C(=O)NCc1cn2cccc(C)c2[nH+]1)c1ccccc1 ZINC000071896315 426000834 /nfs/dbraw/zinc/00/08/34/426000834.db2.gz FCOVMQYGQYSFQG-INIZCTEOSA-N 1 2 309.369 2.647 50 0 DFAALO Cc1nc(-c2ccc(OC(=O)c3ccc4[nH+]ccn4c3)cc2)no1 ZINC000071899948 426000989 /nfs/dbraw/zinc/00/09/89/426000989.db2.gz QLJBFZAQHIGESQ-UHFFFAOYSA-N 1 2 320.308 2.912 50 0 DFAALO Cc1cc(N[C@@H](CO)c2ccccc2)nc(-c2ccncc2)[nH+]1 ZINC000071899447 426001027 /nfs/dbraw/zinc/00/10/27/426001027.db2.gz AHNHWSSELAKSGR-INIZCTEOSA-N 1 2 306.369 2.993 50 0 DFAALO CCOCC1CC[NH+](CC(=O)Nc2cccc(C(C)=O)c2)CC1 ZINC000071904353 426002194 /nfs/dbraw/zinc/00/21/94/426002194.db2.gz KJPAKUWDUMCXQZ-UHFFFAOYSA-N 1 2 318.417 2.576 50 0 DFAALO CN(C)c1cc(CNc2ncnc3cc(F)c(F)cc32)cc[nH+]1 ZINC000071913875 426004128 /nfs/dbraw/zinc/00/41/28/426004128.db2.gz JJYHBLSLFIGGBY-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/95/31/35/425953135.db2.gz HOSXDSZFLYOGOP-OAHLLOKOSA-N 1 2 309.373 2.807 50 0 DFAALO CN(C)c1[nH+]cccc1NC(=O)C[C@@H]1OCCc2ccsc21 ZINC000069742400 425955876 /nfs/dbraw/zinc/95/58/76/425955876.db2.gz ZPVPUGJWWJIVKQ-ZDUSSCGKSA-N 1 2 317.414 2.852 50 0 DFAALO Cc1cc(N)nc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH+]1 ZINC000071916372 426004934 /nfs/dbraw/zinc/00/49/34/426004934.db2.gz XOFMREYLRBTEEW-LLVKDONJSA-N 1 2 324.450 2.716 50 0 DFAALO Cc1noc([C@@H](C)[NH2+]CC2(N3CCSCC3)CCCCC2)n1 ZINC000069874090 425961911 /nfs/dbraw/zinc/96/19/11/425961911.db2.gz SYUCNZCCVHKCEE-CYBMUJFWSA-N 1 2 324.494 2.780 50 0 DFAALO O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069917629 425963296 /nfs/dbraw/zinc/96/32/96/425963296.db2.gz VAHVYXYOCAKOBZ-MRXNPFEDSA-N 1 2 321.384 2.546 50 0 DFAALO Cc1cnn(C[C@@H]2CCC[N@@H+]2Cc2noc(-c3ccccc3)n2)c1 ZINC000069951303 425963962 /nfs/dbraw/zinc/96/39/62/425963962.db2.gz RSCNWKDGNYVBQO-INIZCTEOSA-N 1 2 323.400 2.906 50 0 DFAALO Cc1cnn(C[C@@H]2CCC[N@H+]2Cc2noc(-c3ccccc3)n2)c1 ZINC000069951303 425963963 /nfs/dbraw/zinc/96/39/63/425963963.db2.gz RSCNWKDGNYVBQO-INIZCTEOSA-N 1 2 323.400 2.906 50 0 DFAALO O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069976294 425965905 /nfs/dbraw/zinc/96/59/05/425965905.db2.gz KKMNJBXSQIADHZ-SFHVURJKSA-N 1 2 309.413 2.778 50 0 DFAALO CCO[C@@H]1C[C@H](N(C)c2[nH+]cnc3c2cnn3C)C12CCCC2 ZINC000071920903 426005472 /nfs/dbraw/zinc/00/54/72/426005472.db2.gz JRJISUQLNQZRQF-UONOGXRCSA-N 1 2 315.421 2.537 50 0 DFAALO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)nc[nH+]2)c(C)o1 ZINC000106905966 425980169 /nfs/dbraw/zinc/98/01/69/425980169.db2.gz GFCGXPVYUOCMOS-OCCSQVGLSA-N 1 2 316.405 2.821 50 0 DFAALO Cc1cc([C@@H](C)Nc2cc(N3CCC[C@H]3CO)[nH+]cn2)c(C)o1 ZINC000106905966 425980170 /nfs/dbraw/zinc/98/01/70/425980170.db2.gz GFCGXPVYUOCMOS-OCCSQVGLSA-N 1 2 316.405 2.821 50 0 DFAALO O=C(C[N@@H+]1CCC[C@H]1c1ccccn1)N1CCOc2ccccc21 ZINC000072129718 426010948 /nfs/dbraw/zinc/01/09/48/426010948.db2.gz YRMYAKIXSKVEIU-INIZCTEOSA-N 1 2 323.396 2.644 50 0 DFAALO O=C(C[N@H+]1CCC[C@H]1c1ccccn1)N1CCOc2ccccc21 ZINC000072129718 426010950 /nfs/dbraw/zinc/01/09/50/426010950.db2.gz YRMYAKIXSKVEIU-INIZCTEOSA-N 1 2 323.396 2.644 50 0 DFAALO COc1ccc(NC(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)cc1 ZINC000072270815 426011528 /nfs/dbraw/zinc/01/15/28/426011528.db2.gz RTGSTIDKYXYQKJ-HUUCEWRRSA-N 1 2 300.362 2.807 50 0 DFAALO Cc1noc([C@H](C)[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000072299868 426013789 /nfs/dbraw/zinc/01/37/89/426013789.db2.gz GUZUZZPIEDZLJD-CABZTGNLSA-N 1 2 303.366 2.579 50 0 DFAALO Cc1noc([C@H](C)[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)n1 ZINC000072299868 426013792 /nfs/dbraw/zinc/01/37/92/426013792.db2.gz GUZUZZPIEDZLJD-CABZTGNLSA-N 1 2 303.366 2.579 50 0 DFAALO Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n(C)n1 ZINC000076184495 426104142 /nfs/dbraw/zinc/10/41/42/426104142.db2.gz FIGWGJORCILYJG-GXTWGEPZSA-N 1 2 316.405 2.733 50 0 DFAALO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)n(C)n1 ZINC000076184495 426104144 /nfs/dbraw/zinc/10/41/44/426104144.db2.gz FIGWGJORCILYJG-GXTWGEPZSA-N 1 2 316.405 2.733 50 0 DFAALO CSCc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)o1 ZINC000077303965 426126376 /nfs/dbraw/zinc/12/63/76/426126376.db2.gz AJFKKFXISVBVLB-NSHDSACASA-N 1 2 305.403 2.886 50 0 DFAALO CCc1noc(-c2cccc(-n3cc[nH+]c3[C@H]3CCOC3)c2)n1 ZINC000077437116 426133252 /nfs/dbraw/zinc/13/32/52/426133252.db2.gz NXDJYPSHLHBRIO-ZDUSSCGKSA-N 1 2 310.357 2.989 50 0 DFAALO CN(Cc1ccc(N)[nH+]c1)c1ncnc2sc3c(c21)CCC3 ZINC000135982653 426232291 /nfs/dbraw/zinc/23/22/91/426232291.db2.gz LLAHODNQLUCEPL-UHFFFAOYSA-N 1 2 311.414 2.794 50 0 DFAALO Cc1cc(N)nc(S[C@@H](C)c2cn(-c3ccccc3)nn2)[nH+]1 ZINC000089600609 426298734 /nfs/dbraw/zinc/29/87/34/426298734.db2.gz IKMMYZFSHBGVAQ-NSHDSACASA-N 1 2 312.402 2.801 50 0 DFAALO Cn1cc[nH+]c1CNC(=O)NCC1(Cc2ccccc2)CCC1 ZINC000089761451 426306907 /nfs/dbraw/zinc/30/69/07/426306907.db2.gz UBPKNNVQQHQHDG-UHFFFAOYSA-N 1 2 312.417 2.632 50 0 DFAALO Brc1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)nc1 ZINC000089883809 426315421 /nfs/dbraw/zinc/31/54/21/426315421.db2.gz XHNVQHVOJQTASX-LBPRGKRZSA-N 1 2 319.206 2.930 50 0 DFAALO CC[C@](O)(C[NH2+]Cc1ccn[nH]1)c1ccc(Br)cc1 ZINC000089943459 426321132 /nfs/dbraw/zinc/32/11/32/426321132.db2.gz ODJQHIFHXVAAOK-AWEZNQCLSA-N 1 2 324.222 2.560 50 0 DFAALO Cc1ccc2[nH]c(CCc3nc([C@@H]4CCOC4)no3)[nH+]c2c1C ZINC000096153233 426402400 /nfs/dbraw/zinc/40/24/00/426402400.db2.gz RBDYYECUNMURPA-GFCCVEGCSA-N 1 2 312.373 2.852 50 0 DFAALO Cc1ccc2[nH+]c(CCc3nc([C@@H]4CCOC4)no3)[nH]c2c1C ZINC000096153233 426402403 /nfs/dbraw/zinc/40/24/03/426402403.db2.gz RBDYYECUNMURPA-GFCCVEGCSA-N 1 2 312.373 2.852 50 0 DFAALO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000092100254 426345978 /nfs/dbraw/zinc/34/59/78/426345978.db2.gz IQJXGBYUZZYUHS-GFCCVEGCSA-N 1 2 304.287 2.555 50 0 DFAALO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C(F)(F)F ZINC000092100254 426345980 /nfs/dbraw/zinc/34/59/80/426345980.db2.gz IQJXGBYUZZYUHS-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/37/60/41/426376041.db2.gz QDPYKLNBTQXUPE-ZDUSSCGKSA-N 1 2 314.385 2.626 50 0 DFAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)cn1 ZINC000095944877 426376543 /nfs/dbraw/zinc/37/65/43/426376543.db2.gz WMJVERBBNSYCFH-LLVKDONJSA-N 1 2 316.792 2.926 50 0 DFAALO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000095977283 426381823 /nfs/dbraw/zinc/38/18/23/426381823.db2.gz PZMCWOYKPFTDNX-ZDUSSCGKSA-N 1 2 315.442 2.721 50 0 DFAALO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCc2sccc2C1 ZINC000095977283 426381826 /nfs/dbraw/zinc/38/18/26/426381826.db2.gz PZMCWOYKPFTDNX-ZDUSSCGKSA-N 1 2 315.442 2.721 50 0 DFAALO O=C(C1CC=CC1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000095983095 426382627 /nfs/dbraw/zinc/38/26/27/426382627.db2.gz BPAMAGSDGHIHMH-UHFFFAOYSA-N 1 2 321.424 2.977 50 0 DFAALO CCOC(=O)c1coc(NCCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000096011549 426388199 /nfs/dbraw/zinc/38/81/99/426388199.db2.gz BUOCDIFSEYGNBN-UHFFFAOYSA-N 1 2 314.345 2.772 50 0 DFAALO Cc1nnc(CN2CC[NH+]([C@H](C)c3ccccc3Cl)CC2)o1 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