smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C)nn1 ZINC000867559274 1164838749 /nfs/dbraw/zinc/83/87/49/1164838749.db2.gz MBETULPCRPJUDQ-UHFFFAOYSA-N -1 1 265.285 1.109 10 0 CDAEMM CC[C@@]1(C)CN(C(=O)c2ccc([O-])cn2)CCO1 ZINC001616512139 1165568697 /nfs/dbraw/zinc/56/86/97/1165568697.db2.gz HUGYTVOACJUFAZ-ZDUSSCGKSA-N -1 1 250.298 1.428 10 0 CDAEMM CC1(C)CN(C(=O)c2ccc(F)c([O-])c2)CC[C@@H]1O ZINC001616635291 1165572533 /nfs/dbraw/zinc/57/25/33/1165572533.db2.gz GDCGYRMMRVYBLU-LBPRGKRZSA-N -1 1 267.300 1.764 10 0 CDAEMM COc1c[nH]c(C(=O)Nc2cc(Cl)ccc2[O-])cc1=O ZINC001623563231 1165779372 /nfs/dbraw/zinc/77/93/72/1165779372.db2.gz IQVBDXPQABMBPK-UHFFFAOYSA-N -1 1 294.694 1.995 10 0 CDAEMM O=C(Nc1cccc2c1OCO2)c1cnncc1[O-] ZINC001625026206 1165881551 /nfs/dbraw/zinc/88/15/51/1165881551.db2.gz PNXJWFLYDXYIOJ-UHFFFAOYSA-N -1 1 259.221 1.163 10 0 CDAEMM C/C(=C(\F)C(=O)N(Cc1nn[n-]n1)CC(C)C)C1CC1 ZINC001633523399 1166430584 /nfs/dbraw/zinc/43/05/84/1166430584.db2.gz FESBJQLVORJYOO-FMIVXFBMSA-N -1 1 281.335 1.838 10 0 CDAEMM CCOC(=O)c1c[n-]c(NC(=O)c2nccnc2Cl)n1 ZINC001637375135 1166750412 /nfs/dbraw/zinc/75/04/12/1166750412.db2.gz RZQSUOPOEWIYQI-UHFFFAOYSA-N -1 1 295.686 1.282 10 0 CDAEMM C[C@@H]1CCCC[C@@H]1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001644748576 1167344833 /nfs/dbraw/zinc/34/48/33/1167344833.db2.gz OSHOEHQDFVBKJX-ZJUUUORDSA-N -1 1 263.345 1.521 10 0 CDAEMM C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc([O-])c1F ZINC001565901670 1168197527 /nfs/dbraw/zinc/19/75/27/1168197527.db2.gz FVGUONYJKIKWNH-RKDXNWHRSA-N -1 1 255.289 1.668 10 0 CDAEMM CC[C@@H](O)CCNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001566287821 1168257022 /nfs/dbraw/zinc/25/70/22/1168257022.db2.gz SMKAMTMHQBKXJD-LLVKDONJSA-N -1 1 265.309 1.404 10 0 CDAEMM CC1(CO)CCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001567348378 1168694400 /nfs/dbraw/zinc/69/44/00/1168694400.db2.gz RAHJTVSCLRNLPE-UHFFFAOYSA-N -1 1 267.300 1.766 10 0 CDAEMM O=C(NCc1cc2cnccc2o1)c1ccc([O-])cn1 ZINC001175169794 913486269 /nfs/dbraw/zinc/48/62/69/913486269.db2.gz PAIOXSAREWHLCK-UHFFFAOYSA-N -1 1 269.260 1.858 10 0 CDAEMM COCC[C@@H](COC)NC(=O)c1cccc([O-])c1F ZINC001363382453 904468109 /nfs/dbraw/zinc/46/81/09/904468109.db2.gz MQGOSFVOZBXUHK-VIFPVBQESA-N -1 1 271.288 1.313 10 0 CDAEMM NC(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])cn1 ZINC001171632971 910844968 /nfs/dbraw/zinc/84/49/68/910844968.db2.gz ZEKOXJPHGYIXQK-UHFFFAOYSA-N -1 1 275.239 1.278 10 0 CDAEMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@]1(O)CCOC1 ZINC001137674280 936385641 /nfs/dbraw/zinc/38/56/41/936385641.db2.gz NHMQSZXIUSXUFL-LLVKDONJSA-N -1 1 257.673 1.136 10 0 CDAEMM CC(C)(C)[C@H](NC(=O)c1cccc([O-])c1F)C(N)=O ZINC001137289703 936444823 /nfs/dbraw/zinc/44/48/23/936444823.db2.gz AVEHVFNISGMOGZ-SNVBAGLBSA-N -1 1 268.288 1.161 10 0 CDAEMM C[C@H]1CN=C(NC(=O)c2cccc([O-])c2F)S1 ZINC001142671300 937049411 /nfs/dbraw/zinc/04/94/11/937049411.db2.gz FFJJVRQDWLTSHJ-LURJTMIESA-N -1 1 254.286 1.752 10 0 CDAEMM Cc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)n1C ZINC001135424061 930198382 /nfs/dbraw/zinc/19/83/82/930198382.db2.gz WONYBHZEAHTPEG-UHFFFAOYSA-N -1 1 272.304 1.538 10 0 CDAEMM CC(C)(NC(=O)c1cnncc1[O-])c1ccccc1 ZINC001136474448 931075725 /nfs/dbraw/zinc/07/57/25/931075725.db2.gz UUBJRWNWUDHFIT-UHFFFAOYSA-N -1 1 257.293 1.847 10 0 CDAEMM CCCCC[C@@H](NC(=O)c1ccc([O-])cn1)C(=O)OC ZINC001137246943 931252862 /nfs/dbraw/zinc/25/28/62/931252862.db2.gz PXUVSXCAHUOMPN-GFCCVEGCSA-N -1 1 280.324 1.639 10 0 CDAEMM CCOC(=O)CN(C(=O)c1ccc(F)c([O-])c1)C(C)C ZINC001411710457 931973051 /nfs/dbraw/zinc/97/30/51/931973051.db2.gz XNEBPEXHAFGCIG-UHFFFAOYSA-N -1 1 283.299 1.945 10 0 CDAEMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001412006692 932207111 /nfs/dbraw/zinc/20/71/11/932207111.db2.gz QAQVLQLLMCZCTC-KOLCDFICSA-N -1 1 283.299 1.143 10 0 CDAEMM CSc1ncc(C(=O)N2CCCC[C@@H]2C(C)=O)c(=O)[n-]1 ZINC001412146131 932287350 /nfs/dbraw/zinc/28/73/50/932287350.db2.gz JAUFVNHHBNMEOR-SNVBAGLBSA-N -1 1 295.364 1.488 10 0 CDAEMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001412227947 932332795 /nfs/dbraw/zinc/33/27/95/932332795.db2.gz KNOYYFDRFTYLFQ-SNVBAGLBSA-N -1 1 280.299 1.082 10 0 CDAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cncs2)[n-]1 ZINC001412281104 932358609 /nfs/dbraw/zinc/35/86/09/932358609.db2.gz UOUAWFDMTPGOTK-UHFFFAOYSA-N -1 1 293.304 1.713 10 0 CDAEMM C[C@H](CN(C)C(=O)c1ncccc1[O-])NC(=O)[C@@H]1C[C@H]1C ZINC001412500886 932457986 /nfs/dbraw/zinc/45/79/86/932457986.db2.gz WQNAICAINQKCJG-GMTAPVOTSA-N -1 1 291.351 1.020 10 0 CDAEMM C[C@@H]1Cc2n[nH]cc2CN(C(=O)c2ccc([O-])cn2)C1 ZINC001412621240 932566710 /nfs/dbraw/zinc/56/67/10/932566710.db2.gz YMYUPFBPUMIPMY-SECBINFHSA-N -1 1 272.308 1.345 10 0 CDAEMM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(F)c([O-])c1 ZINC001412664920 932607692 /nfs/dbraw/zinc/60/76/92/932607692.db2.gz YDNZAPWNTYKEMZ-KOLCDFICSA-N -1 1 283.299 1.455 10 0 CDAEMM Cc1nnc(C2CN(C(=O)c3cc(Cl)ccc3[O-])C2)[nH]1 ZINC001413542106 936161230 /nfs/dbraw/zinc/16/12/30/936161230.db2.gz SKWJVDJALVZUOM-UHFFFAOYSA-N -1 1 292.726 1.712 10 0 CDAEMM CSc1ncc(C(=O)N2CC(OCC(C)C)C2)c(=O)[n-]1 ZINC001362032098 970798454 /nfs/dbraw/zinc/79/84/54/970798454.db2.gz YNPQVFJTEWMDDE-UHFFFAOYSA-N -1 1 297.380 1.401 10 0 CDAEMM C[C@@H]1CCN(C(=O)c2ccc([O-])cn2)C[C@@H]1n1ccnc1 ZINC001362239389 971058175 /nfs/dbraw/zinc/05/81/75/971058175.db2.gz XWOCCFDHOVIJIR-RISCZKNCSA-N -1 1 286.335 1.707 10 0 CDAEMM CSc1ncc(C(=O)N2CCC(C)(CO)CC2)c(=O)[n-]1 ZINC001362309882 971142547 /nfs/dbraw/zinc/14/25/47/971142547.db2.gz GFMAAABIDKNBLF-UHFFFAOYSA-N -1 1 297.380 1.139 10 0 CDAEMM CC(C)(C)[S@](=O)CCNCc1cccc(C(=O)[O-])n1 ZINC001262158912 946478459 /nfs/dbraw/zinc/47/84/59/946478459.db2.gz BLJNNKXFYZDOPS-LJQANCHMSA-N -1 1 284.381 1.417 10 0 CDAEMM CCOC(=O)N1CC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001362519265 971365455 /nfs/dbraw/zinc/36/54/55/971365455.db2.gz OTSXGNZZTBYNHY-VIFPVBQESA-N -1 1 296.298 1.492 10 0 CDAEMM CO[C@@H]1CC[C@@H](NC(=O)c2cnc(SC)[n-]c2=O)C1 ZINC001362593360 971436515 /nfs/dbraw/zinc/43/65/15/971436515.db2.gz ZEEXZOVUUIYTAO-HTQZYQBOSA-N -1 1 283.353 1.201 10 0 CDAEMM CCC(CC)(NC(=O)[C@@H]1CCOC[C@@H]1C)c1nn[n-]n1 ZINC001362626729 971470763 /nfs/dbraw/zinc/47/07/63/971470763.db2.gz UGSPJCKGVIWUKL-VHSXEESVSA-N -1 1 281.360 1.004 10 0 CDAEMM Cc1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c(N)n1 ZINC001569012594 1169594258 /nfs/dbraw/zinc/59/42/58/1169594258.db2.gz FBYURWNQVJZKDJ-UHFFFAOYSA-N -1 1 280.234 1.603 10 0 CDAEMM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1cccc([O-])c1F ZINC001362664408 971507563 /nfs/dbraw/zinc/50/75/63/971507563.db2.gz TYJXDQZBLLXOFL-LLVKDONJSA-N -1 1 294.326 1.614 10 0 CDAEMM CC(C)(O)c1cnc(NC(=O)c2ccc([O-])cn2)s1 ZINC001362787754 971620155 /nfs/dbraw/zinc/62/01/55/971620155.db2.gz YZRAJMUGKROEDM-UHFFFAOYSA-N -1 1 279.321 1.723 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CCCC[C@H]1c1cc[nH]n1 ZINC001362889901 971700608 /nfs/dbraw/zinc/70/06/08/971700608.db2.gz BXEZMQVDISXBPM-ZDUSSCGKSA-N -1 1 272.308 1.878 10 0 CDAEMM C[C@@H](O)[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1F ZINC001362910055 971718720 /nfs/dbraw/zinc/71/87/20/971718720.db2.gz KXSMLFSLBALEEX-YMTOWFKASA-N -1 1 290.294 1.778 10 0 CDAEMM C[C@@H](CN1CCN(C)C(=O)[C@H]1C)C(=O)c1ccc([O-])cc1 ZINC001650053867 1169658326 /nfs/dbraw/zinc/65/83/26/1169658326.db2.gz NULXMXQZMQOEBH-NWDGAFQWSA-N -1 1 290.363 1.374 10 0 CDAEMM CCc1ccc(F)cc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001363554368 953450911 /nfs/dbraw/zinc/45/09/11/953450911.db2.gz WELVBVGWLZJREX-UHFFFAOYSA-N -1 1 289.314 1.710 10 0 CDAEMM COC[C@@H](NC(=O)c1ccc(C)cc1Cl)c1nn[n-]n1 ZINC001363595706 953515393 /nfs/dbraw/zinc/51/53/93/953515393.db2.gz ZXCJJDSCSXNNHL-SNVBAGLBSA-N -1 1 295.730 1.279 10 0 CDAEMM NC(=O)CC1(NC(=O)c2cncc([O-])c2)CCCCC1 ZINC001363884385 953969009 /nfs/dbraw/zinc/96/90/09/953969009.db2.gz ALTFPPLFWSXECY-UHFFFAOYSA-N -1 1 277.324 1.095 10 0 CDAEMM O=C(NCc1cnc2n1CCOC2)c1cccc([O-])c1F ZINC001363894502 953985476 /nfs/dbraw/zinc/98/54/76/953985476.db2.gz WIKDCSDORLICPV-UHFFFAOYSA-N -1 1 291.282 1.188 10 0 CDAEMM COC[C@H](NC(=O)CC1(C)CCCCC1)c1nn[n-]n1 ZINC001364040482 954152807 /nfs/dbraw/zinc/15/28/07/954152807.db2.gz ZCTKVKVBESNSHI-JTQLQIEISA-N -1 1 281.360 1.364 10 0 CDAEMM Cn1[nH]c(=O)c2c1CN(C(=O)c1cccc([O-])c1F)CC2 ZINC001364306739 954448273 /nfs/dbraw/zinc/44/82/73/954448273.db2.gz NXPBTNAWZYJOCN-UHFFFAOYSA-N -1 1 291.282 1.169 10 0 CDAEMM Cn1cccc1CNC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001294040836 954458550 /nfs/dbraw/zinc/45/85/50/954458550.db2.gz RUPJXPJMAWXOCJ-UHFFFAOYSA-N -1 1 287.348 1.287 10 0 CDAEMM CCC[C@H](NC(=O)C=C(C)c1cnccn1)c1nn[n-]n1 ZINC001294423000 954509583 /nfs/dbraw/zinc/50/95/83/954509583.db2.gz ZKDCDGWHFBHSDU-RNKPRXRFSA-N -1 1 287.327 1.051 10 0 CDAEMM C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3O)o2)C[C@H]1O ZINC001364386830 954536141 /nfs/dbraw/zinc/53/61/41/954536141.db2.gz MZNQSVXAFZCFPE-ZWNOBZJWSA-N -1 1 289.335 1.645 10 0 CDAEMM O=C(N[C@@H]1CCn2ccnc21)c1nnc2ccccc2c1O ZINC001298299249 955167434 /nfs/dbraw/zinc/16/74/34/955167434.db2.gz WNYPYGDXDJAILH-LLVKDONJSA-N -1 1 295.302 1.407 10 0 CDAEMM C[C@H](F)CCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001364948297 955407934 /nfs/dbraw/zinc/40/79/34/955407934.db2.gz YROCIYSZSCTLGD-NSHDSACASA-N -1 1 281.331 1.293 10 0 CDAEMM COC(=O)[C@](C)(CCF)NC(=O)c1cccc([O-])c1F ZINC001363472840 972192160 /nfs/dbraw/zinc/19/21/60/972192160.db2.gz CKJGGQOJGPJIMC-ZDUSSCGKSA-N -1 1 287.262 1.552 10 0 CDAEMM O=C(CCc1nnc(C(F)F)o1)[N-]OCC(F)(F)F ZINC001331983859 957382651 /nfs/dbraw/zinc/38/26/51/957382651.db2.gz MYBQKLMZGUIOPP-UHFFFAOYSA-N -1 1 289.160 1.550 10 0 CDAEMM O=C([O-])CC1(NCc2cn(C3CCC3)nn2)CCC1 ZINC001334777500 959354689 /nfs/dbraw/zinc/35/46/89/959354689.db2.gz RYLJIQWSGJIRHK-UHFFFAOYSA-N -1 1 264.329 1.490 10 0 CDAEMM CNC(=O)C1CCN(C(=O)c2cccc([O-])c2F)CC1 ZINC001433596734 960431949 /nfs/dbraw/zinc/43/19/49/960431949.db2.gz XLJHNCAXWCABDH-UHFFFAOYSA-N -1 1 280.299 1.130 10 0 CDAEMM CCOC(=O)CN(C(=O)c1cccc([O-])c1F)C(C)C ZINC001433636874 960478432 /nfs/dbraw/zinc/47/84/32/960478432.db2.gz XBTGTKAKCVKUNM-UHFFFAOYSA-N -1 1 283.299 1.945 10 0 CDAEMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc([O-])cn1 ZINC001433821036 960652289 /nfs/dbraw/zinc/65/22/89/960652289.db2.gz CCBXWKUIGKRDLF-UHFFFAOYSA-N -1 1 294.351 1.980 10 0 CDAEMM CNC(=O)N[C@@H]1CCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC001433895572 960741802 /nfs/dbraw/zinc/74/18/02/960741802.db2.gz RABHAQBUENFLHH-MRVPVSSYSA-N -1 1 297.742 1.189 10 0 CDAEMM C[C@H]1CCN(C(=O)c2cccc([O-])c2F)CC[S@]1=O ZINC001433905644 960751176 /nfs/dbraw/zinc/75/11/76/960751176.db2.gz MCHHTSMYQYMVCW-ZRNGKTOUSA-N -1 1 285.340 1.514 10 0 CDAEMM O=C(c1cnoc1C1CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001433932479 960779133 /nfs/dbraw/zinc/77/91/33/960779133.db2.gz UUXILPLPUFGJOT-VIFPVBQESA-N -1 1 288.311 1.085 10 0 CDAEMM O=C(N[C@H](CO)[C@@H]1CCCOC1)c1ccc(F)c([O-])c1 ZINC001434082075 960957384 /nfs/dbraw/zinc/95/73/84/960957384.db2.gz NHWFOJKHXXDNFL-ZYHUDNBSSA-N -1 1 283.299 1.049 10 0 CDAEMM CCn1nnc(C)c1CNC(=O)c1ccc(F)c([O-])c1 ZINC001434119383 961007210 /nfs/dbraw/zinc/00/72/10/961007210.db2.gz GCBMOBZEAMYPOC-UHFFFAOYSA-N -1 1 278.287 1.381 10 0 CDAEMM C[C@H]1CN(CCNC(=O)c2ccc(F)c([O-])c2)[C@@H](C)CO1 ZINC001434165479 961050819 /nfs/dbraw/zinc/05/08/19/961050819.db2.gz GJVPYOUPWSWXIS-QWRGUYRKSA-N -1 1 296.342 1.370 10 0 CDAEMM CO[C@@H](CNC(=O)c1ccc(F)c([O-])c1)[C@@H]1CCOC1 ZINC001434168852 961051891 /nfs/dbraw/zinc/05/18/91/961051891.db2.gz RKNVWJFVFRXZHY-MFKMUULPSA-N -1 1 283.299 1.313 10 0 CDAEMM C[S@](=O)(=NC(=O)CCc1nn[n-]n1)C1CCCCC1 ZINC001434375379 961232260 /nfs/dbraw/zinc/23/22/60/961232260.db2.gz MFJXMCBYCXMLBW-LJQANCHMSA-N -1 1 285.373 1.089 10 0 CDAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)COC1(C)CCC1 ZINC001419134135 961407899 /nfs/dbraw/zinc/40/78/99/961407899.db2.gz FAQZTBMAGJWMMU-UHFFFAOYSA-N -1 1 281.360 1.144 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCC1)c1cscc1Cl ZINC001419160760 961446693 /nfs/dbraw/zinc/44/66/93/961446693.db2.gz KGFAHYPRNLVIJN-UHFFFAOYSA-N -1 1 283.744 1.724 10 0 CDAEMM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(F)c([O-])c1)C2 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/nfs/dbraw/zinc/40/44/66/970404466.db2.gz WOFCBUQLQGDGOP-YFKPBYRVSA-N -1 1 277.683 1.926 10 0 CDAEMM Cc1nonc1CNC(=O)NCc1ccc([O-])c(Cl)c1 ZINC001471225432 970404615 /nfs/dbraw/zinc/40/46/15/970404615.db2.gz PVKBFXSEVVQPMQ-UHFFFAOYSA-N -1 1 296.714 1.736 10 0 CDAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(C2CC2)n[nH]1 ZINC001471645789 970450182 /nfs/dbraw/zinc/45/01/82/970450182.db2.gz FEFJJBPTAFTNAM-UHFFFAOYSA-N -1 1 289.343 1.099 10 0 CDAEMM O=C([C@@H]1C[C@H]1C1CCC1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001471853166 970503282 /nfs/dbraw/zinc/50/32/82/970503282.db2.gz HIROMJUBGXXIJA-KGYLQXTDSA-N -1 1 289.383 1.417 10 0 CDAEMM CCOC(=O)c1nc[nH]c1C[N-]C(=O)C(F)(F)C(F)F ZINC001472118286 970579304 /nfs/dbraw/zinc/57/93/04/970579304.db2.gz PNRYUNLTZDMRRE-UHFFFAOYSA-N -1 1 297.208 1.103 10 0 CDAEMM Cc1cccc(CO[N-]C(=O)C2C=NC(=S)N2)n1 ZINC001472601522 970673200 /nfs/dbraw/zinc/67/32/00/970673200.db2.gz RLZILEGBHKPHFI-UHFFFAOYSA-N -1 1 264.310 1.263 10 0 CDAEMM CSc1n[nH]c(NC(=O)c2s[n-]c(=O)c2Cl)n1 ZINC001361980589 970738477 /nfs/dbraw/zinc/73/84/77/970738477.db2.gz LTEJXUKYQFDCHI-UHFFFAOYSA-N -1 1 291.745 1.594 10 0 CDAEMM O=C(N[C@H](CCO)C1CCCCC1)c1ccc([O-])cn1 ZINC001417677553 973274173 /nfs/dbraw/zinc/27/41/73/973274173.db2.gz VLLFLGDAUXNHLK-CYBMUJFWSA-N -1 1 278.352 1.848 10 0 CDAEMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001392772994 977592714 /nfs/dbraw/zinc/59/27/14/977592714.db2.gz ILGWWDHLYCAUBW-HBNTYKKESA-N -1 1 291.351 1.068 10 0 CDAEMM O=C(Cc1cnn2ccccc12)[N-]OC/C=C\Cl ZINC001570050406 1170064093 /nfs/dbraw/zinc/06/40/93/1170064093.db2.gz ZNUCOHSCSOEMIU-HYXAFXHYSA-N -1 1 265.700 1.677 10 0 CDAEMM CO[C@@](C)([C@H](C)NC(=O)c1ccc([O-])cn1)C1CC1 ZINC001570331517 1170133708 /nfs/dbraw/zinc/13/37/08/1170133708.db2.gz URLHHDVNXKODAV-XPTSAGLGSA-N -1 1 264.325 1.721 10 0 CDAEMM COc1nscc1[N-]C(=O)c1ccnc2n[nH]nc21 ZINC001651233249 1171306231 /nfs/dbraw/zinc/30/62/31/1171306231.db2.gz IDPCQXDQVHDTEZ-UHFFFAOYSA-N -1 1 276.281 1.070 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3cccc(F)c3)nc2n1 ZINC000588006828 342490970 /nfs/dbraw/zinc/49/09/70/342490970.db2.gz XJCUOKRYONTMCL-UHFFFAOYSA-N -1 1 287.254 1.117 10 0 CDAEMM O=C(c1cccc2[nH]ccc21)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113920 282088029 /nfs/dbraw/zinc/08/80/29/282088029.db2.gz HBGGZHWIVYGFKT-JTQLQIEISA-N -1 1 296.334 1.701 10 0 CDAEMM CC[C@H](NC(=O)c1ccc([O-])c(F)c1)[C@@H](O)C(F)F ZINC000650694588 398146229 /nfs/dbraw/zinc/14/62/29/398146229.db2.gz VTAOWLAWHSDTEM-WCBMZHEXSA-N -1 1 277.242 1.666 10 0 CDAEMM COC(=O)[C@@H]([N-]S(=O)(=O)C[C@@H]1CCC1(F)F)C(C)C ZINC000601286183 342549319 /nfs/dbraw/zinc/54/93/19/342549319.db2.gz IWNOVIAPCGGYCZ-IUCAKERBSA-N -1 1 299.339 1.149 10 0 CDAEMM CN(C)C(=O)c1ccc(I)cc1[O-] ZINC000095711530 185018793 /nfs/dbraw/zinc/01/87/93/185018793.db2.gz FJFNTXUOJMLJTP-UHFFFAOYSA-N -1 1 291.088 1.699 10 0 CDAEMM COC(=O)c1[n-]c(=N[C@H]2CO[C@H](C3CC3)C2)sc1C ZINC000599182448 343983933 /nfs/dbraw/zinc/98/39/33/343983933.db2.gz YRLUDQBEJVXIEA-ZJUUUORDSA-N -1 1 282.365 1.639 10 0 CDAEMM C[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000122964247 342098024 /nfs/dbraw/zinc/09/80/24/342098024.db2.gz JXJGGDOXRSXCEZ-OCCSQVGLSA-N -1 1 299.378 1.785 10 0 CDAEMM CC(=O)C[N-]S(=O)(=O)c1sccc1Br ZINC000083153535 178343033 /nfs/dbraw/zinc/34/30/33/178343033.db2.gz KUDWKGUKWIXYTD-UHFFFAOYSA-N -1 1 298.183 1.378 10 0 CDAEMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H]2COC[C@H]2C1 ZINC000620139195 342150189 /nfs/dbraw/zinc/15/01/89/342150189.db2.gz RXVIRYSNFDWKBX-GHMZBOCLSA-N -1 1 265.284 1.640 10 0 CDAEMM CCN(CCSC)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000592465199 342697302 /nfs/dbraw/zinc/69/73/02/342697302.db2.gz SZJWXPROFWRWLE-UHFFFAOYSA-N -1 1 291.376 1.748 10 0 CDAEMM O=C(N[C@@H]1C[C@H](O)C12CCC2)c1ncc2ccccc2c1[O-] ZINC000619074415 349616902 /nfs/dbraw/zinc/61/69/02/349616902.db2.gz YTBMMSWOGGTICA-OLZOCXBDSA-N -1 1 298.342 1.974 10 0 CDAEMM CCCc1nc(=NC[C@@H]2CCCN2CCOC)s[n-]1 ZINC000359867167 361976512 /nfs/dbraw/zinc/97/65/12/361976512.db2.gz BRKILPUHEQXGCX-NSHDSACASA-N -1 1 284.429 1.435 10 0 CDAEMM O=C(C[C@@H]1CCCc2ccccc21)NCc1nn[n-]n1 ZINC000600495428 342227926 /nfs/dbraw/zinc/22/79/26/342227926.db2.gz NNGSHWINEYKVCC-NSHDSACASA-N -1 1 271.324 1.326 10 0 CDAEMM Cc1cnc(-c2ccoc2S(=O)(=O)[N-]C(C)C)nc1 ZINC000675054901 539072188 /nfs/dbraw/zinc/07/21/88/539072188.db2.gz WJJOVJTVKUVCFR-UHFFFAOYSA-N -1 1 281.337 1.732 10 0 CDAEMM CC(C)C(=O)N1CCC(NC(=O)c2cncc([O-])c2)CC1 ZINC000111776573 365738999 /nfs/dbraw/zinc/73/89/99/365738999.db2.gz WSPDZXDLIKTORV-UHFFFAOYSA-N -1 1 291.351 1.164 10 0 CDAEMM Nc1c(F)ccc([N-]S(=O)(=O)c2ccoc2)c1F ZINC000167403306 342443186 /nfs/dbraw/zinc/44/31/86/342443186.db2.gz VAUJWDKKAICJKQ-UHFFFAOYSA-N -1 1 274.248 1.941 10 0 CDAEMM Cc1cc(C[C@@H](C)NC(=O)c2c(O)cccc2O)n[nH]1 ZINC000092125423 342411291 /nfs/dbraw/zinc/41/12/91/342411291.db2.gz QAMZMUQTYJWHIA-MRVPVSSYSA-N -1 1 275.308 1.490 10 0 CDAEMM O=c1nc(N2CC[C@H]3COC[C@@H]3C2)cc(Cl)[n-]1 ZINC000858633092 684522977 /nfs/dbraw/zinc/52/29/77/684522977.db2.gz LKJTWNFZJLUUSL-YUMQZZPRSA-N -1 1 255.705 1.308 10 0 CDAEMM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)CCO)c2=O ZINC000127214040 187288983 /nfs/dbraw/zinc/28/89/83/187288983.db2.gz GZEHDZFTVOVCGN-SECBINFHSA-N -1 1 290.319 1.450 10 0 CDAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CCCS2)n[n-]1 ZINC000603153592 344715308 /nfs/dbraw/zinc/71/53/08/344715308.db2.gz ILBFXMLLGHANGX-HTQZYQBOSA-N -1 1 298.368 1.054 10 0 CDAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CCCS2)[n-]1 ZINC000603153592 344715309 /nfs/dbraw/zinc/71/53/09/344715309.db2.gz ILBFXMLLGHANGX-HTQZYQBOSA-N -1 1 298.368 1.054 10 0 CDAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CCCS2)n1 ZINC000603153592 344715310 /nfs/dbraw/zinc/71/53/10/344715310.db2.gz ILBFXMLLGHANGX-HTQZYQBOSA-N -1 1 298.368 1.054 10 0 CDAEMM CO[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCOC1 ZINC000617147509 344932439 /nfs/dbraw/zinc/93/24/39/344932439.db2.gz GALCUJDQEXVWIU-RNCFNFMXSA-N -1 1 299.754 1.827 10 0 CDAEMM COC[C@@H](CCNC(=O)c1ccc([O-])c(F)c1)OC ZINC000617238813 345056064 /nfs/dbraw/zinc/05/60/64/345056064.db2.gz LPTXAYBALRJKHV-SNVBAGLBSA-N -1 1 271.288 1.313 10 0 CDAEMM C[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)c2ncnn21 ZINC000617444332 345539586 /nfs/dbraw/zinc/53/95/86/345539586.db2.gz DIOHZCVJYPXVTG-IONNQARKSA-N -1 1 276.271 1.559 10 0 CDAEMM C[C@H](O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])CCO1 ZINC000412912201 362637211 /nfs/dbraw/zinc/63/72/11/362637211.db2.gz GXCNBIOGRSKWBX-UFBFGSQYSA-N -1 1 285.727 1.267 10 0 CDAEMM COCc1cc(C(=O)Nc2c([O-])cccc2F)no1 ZINC000608366977 345737841 /nfs/dbraw/zinc/73/78/41/345737841.db2.gz FCGVGTUBGBDSMF-UHFFFAOYSA-N -1 1 266.228 1.918 10 0 CDAEMM CCCCCN(CC(N)=O)C(=O)c1ncc(C)cc1[O-] ZINC000428030902 535018095 /nfs/dbraw/zinc/01/80/95/535018095.db2.gz JLXUYYPEVFHCJM-UHFFFAOYSA-N -1 1 279.340 1.213 10 0 CDAEMM O=C(NC[C@@H]1CCc2cccnc21)c1ncccc1[O-] ZINC000623313392 346031284 /nfs/dbraw/zinc/03/12/84/346031284.db2.gz GNFFHRKTUDBWCD-NSHDSACASA-N -1 1 269.304 1.642 10 0 CDAEMM O=C(NCc1nn[n-]n1)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000626465326 346145264 /nfs/dbraw/zinc/14/52/64/346145264.db2.gz AGLSEDPANBYHBV-ADEWGFFLSA-N -1 1 289.726 1.055 10 0 CDAEMM CC1(C)[C@H](C(=O)N2CCN3CCCC[C@@H]3C2)[C@@H]1C(=O)[O-] ZINC000085412607 179057834 /nfs/dbraw/zinc/05/78/34/179057834.db2.gz BWDVXMNLOYIVBX-GRYCIOLGSA-N -1 1 280.368 1.040 10 0 CDAEMM O=c1[nH]c([C@H]2CCCO2)nc([O-])c1Br ZINC000085447685 179063858 /nfs/dbraw/zinc/06/38/58/179063858.db2.gz RGQRHNZLPRBADT-SCSAIBSYSA-N -1 1 261.075 1.090 10 0 CDAEMM Cc1ccc([C@@H](N)C(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000230834942 346557473 /nfs/dbraw/zinc/55/74/73/346557473.db2.gz CUEWBRPFAVESCS-IUODEOHRSA-N -1 1 290.363 1.708 10 0 CDAEMM COC(C)(C)c1nc([O-])c(Br)c(=O)[nH]1 ZINC000086071233 179224818 /nfs/dbraw/zinc/22/48/18/179224818.db2.gz WWPVKMJFSKNAFO-UHFFFAOYSA-N -1 1 263.091 1.120 10 0 CDAEMM CO[C@@H](C(=O)Nc1c([O-])cccc1F)[C@H]1CCOC1 ZINC000613029671 347372987 /nfs/dbraw/zinc/37/29/87/347372987.db2.gz SZVKSWWBFDRKFB-QPUJVOFHSA-N -1 1 269.272 1.521 10 0 CDAEMM O=C([O-])c1cccc2nc([C@H]3CCS(=O)(=O)C3)[nH]c21 ZINC000086027569 179220148 /nfs/dbraw/zinc/22/01/48/179220148.db2.gz IGSMTYUUHKNZIU-ZETCQYMHSA-N -1 1 280.305 1.163 10 0 CDAEMM CC(C)(NC(=O)CCCc1nn[n-]n1)C1CCC1 ZINC000635992333 362850108 /nfs/dbraw/zinc/85/01/08/362850108.db2.gz RJLDXNXXEIDGTR-UHFFFAOYSA-N -1 1 251.334 1.217 10 0 CDAEMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc([O-])cc1F ZINC000619078386 348190093 /nfs/dbraw/zinc/19/00/93/348190093.db2.gz RQAGOHVDRPTOMS-NWDGAFQWSA-N -1 1 265.284 1.565 10 0 CDAEMM O=C(NC[C@@H]1CCC[C@H]1O)c1ncc2ccccc2c1[O-] ZINC000616113844 349297258 /nfs/dbraw/zinc/29/72/58/349297258.db2.gz ALXGLUBAZSCYPU-WCQYABFASA-N -1 1 286.331 1.831 10 0 CDAEMM O=C(NCC1(O)CCC(F)(F)CC1)c1cncc([O-])c1 ZINC000620321024 350135114 /nfs/dbraw/zinc/13/51/14/350135114.db2.gz LCDZEJFOCCCCQR-UHFFFAOYSA-N -1 1 286.278 1.457 10 0 CDAEMM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1ncccc1[O-] ZINC000620538490 350245809 /nfs/dbraw/zinc/24/58/09/350245809.db2.gz HAILMBPXWDRJRH-KWCYVHTRSA-N -1 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1.901 10 0 CDAEMM CCc1ccc([C@H](C)C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000357067442 366734836 /nfs/dbraw/zinc/73/48/36/366734836.db2.gz JQYBNEYSTOUYBQ-JTQLQIEISA-N -1 1 285.351 1.671 10 0 CDAEMM CC(C)(C)c1ccc(CC(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000357070377 366736312 /nfs/dbraw/zinc/73/63/12/366736312.db2.gz JIBCWVBKTLPIHF-UHFFFAOYSA-N -1 1 299.378 1.845 10 0 CDAEMM CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1[O-] ZINC000628960577 361357637 /nfs/dbraw/zinc/35/76/37/361357637.db2.gz NJWDVOQYPCPKES-SNVBAGLBSA-N -1 1 298.339 1.781 10 0 CDAEMM Cc1cnc(C(=O)N2CC[C@@]3(C2)CCCOC3)c([O-])c1 ZINC000357084802 366749639 /nfs/dbraw/zinc/74/96/39/366749639.db2.gz ALTXLYKSDCWDFV-OAHLLOKOSA-N -1 1 276.336 1.738 10 0 CDAEMM O=S(=O)([N-]c1nc(C2CCC2)n[nH]1)c1cncc(F)c1 ZINC000351453180 361687243 /nfs/dbraw/zinc/68/72/43/361687243.db2.gz PMFPRQVQEXMOAG-UHFFFAOYSA-N -1 1 297.315 1.407 10 0 CDAEMM O=C(N[C@H]1CCc2nc[nH]c2C1)c1cc(F)c([O-])c(F)c1 ZINC000336601560 363815968 /nfs/dbraw/zinc/81/59/68/363815968.db2.gz 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371013047 /nfs/dbraw/zinc/01/30/47/371013047.db2.gz LTYICGLPLAGPCK-CYBMUJFWSA-N -1 1 280.349 1.135 10 0 CDAEMM CCc1nc(=N[C@@H](C[C@H](C)CC)C(=O)OC)s[n-]1 ZINC000567768560 371141284 /nfs/dbraw/zinc/14/12/84/371141284.db2.gz RGSJPHXGQGROMW-BDAKNGLRSA-N -1 1 271.386 1.912 10 0 CDAEMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)[C@H](O)C(F)F ZINC000295556462 371340873 /nfs/dbraw/zinc/34/08/73/371340873.db2.gz UIXZMGHCRMLCJB-ZJUUUORDSA-N -1 1 277.242 1.666 10 0 CDAEMM C[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2F)C1 ZINC000573105841 371424045 /nfs/dbraw/zinc/42/40/45/371424045.db2.gz FZQLQOAJTDJSPL-VIFPVBQESA-N -1 1 252.289 1.812 10 0 CDAEMM S=c1[n-]c(-c2nscc2Br)n[nH]1 ZINC000404835854 372872100 /nfs/dbraw/zinc/87/21/00/372872100.db2.gz KMROORLZJOKFNV-UHFFFAOYSA-N -1 1 263.145 1.979 10 0 CDAEMM NC(=O)[C@H]1CCC[C@@H](N=c2nc(C(F)(F)F)[n-]s2)C1 ZINC000342382332 374164494 /nfs/dbraw/zinc/16/44/94/374164494.db2.gz QJEABOZJMWJOJB-NTSWFWBYSA-N -1 1 294.302 1.435 10 0 CDAEMM c1ccc2oc(CNC3(c4nn[n-]n4)CCCC3)nc2c1 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Cc1ccc2c(n1)[n-]cc(C(=O)N(C)C1CC1)c2=O ZINC000171116445 376173950 /nfs/dbraw/zinc/17/39/50/376173950.db2.gz VYKZIOXIHBXOLE-UHFFFAOYSA-N -1 1 257.293 1.878 10 0 CDAEMM CCO[C@H](CCNC(=O)CCc1nn[n-]n1)C1CCCC1 ZINC000631609815 376408304 /nfs/dbraw/zinc/40/83/04/376408304.db2.gz YMZZIERNUIXHBQ-GFCCVEGCSA-N -1 1 295.387 1.234 10 0 CDAEMM COCCCC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000331003786 376440581 /nfs/dbraw/zinc/44/05/81/376440581.db2.gz RRGHJZNYNPGTCT-UHFFFAOYSA-N -1 1 278.399 1.465 10 0 CDAEMM Cc1cnc(C(=O)N(C(C)C)[C@H]2CCOC2)c([O-])c1 ZINC000331170166 376655547 /nfs/dbraw/zinc/65/55/47/376655547.db2.gz OJXIWZAPOCPZDK-NSHDSACASA-N -1 1 264.325 1.735 10 0 CDAEMM COc1cc(C(=O)N2CCC(CO)CC2)cc(Cl)c1[O-] ZINC000331260966 376814578 /nfs/dbraw/zinc/81/45/78/376814578.db2.gz BWOGLUYZPCVSPJ-UHFFFAOYSA-N -1 1 299.754 1.899 10 0 CDAEMM C[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccncc1 ZINC000632054143 376955880 /nfs/dbraw/zinc/95/58/80/376955880.db2.gz NDMDTINSHNDGAG-PWSUYJOCSA-N -1 1 286.339 1.104 10 0 CDAEMM O=S(=O)([N-][C@@H]1[C@@H]2CCC[C@@H]21)c1c[nH]nc1C(F)(F)F ZINC000632285207 377243803 /nfs/dbraw/zinc/24/38/03/377243803.db2.gz IXBMFDQTHWXQEV-UQWHLADISA-N -1 1 295.286 1.505 10 0 CDAEMM Cc1cc(S(=O)(=O)[N-][C@H]2CSC2(C)C)sn1 ZINC000632314553 377280446 /nfs/dbraw/zinc/28/04/46/377280446.db2.gz AVTDEOKHDCPBLE-ZETCQYMHSA-N -1 1 278.424 1.624 10 0 CDAEMM CCNc1ccc(Cl)cc1NC(=O)CCc1nn[n-]n1 ZINC000632330148 377299954 /nfs/dbraw/zinc/29/99/54/377299954.db2.gz KOTNJXQRFUUNPF-UHFFFAOYSA-N -1 1 294.746 1.856 10 0 CDAEMM Cc1cc2cc(CNC(=O)CCc3nn[n-]n3)ccc2[nH]1 ZINC000633058593 378085533 /nfs/dbraw/zinc/08/55/33/378085533.db2.gz ORPPGAHAHDUZOD-UHFFFAOYSA-N -1 1 284.323 1.238 10 0 CDAEMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H]1CCCC[C@H]1C ZINC000425559157 378496161 /nfs/dbraw/zinc/49/61/61/378496161.db2.gz GOGBLOHCIGTESL-MNOVXSKESA-N -1 1 293.367 1.784 10 0 CDAEMM O=C([O-])[C@]1(NCc2cncnc2)CCc2c1cccc2F ZINC000417559769 304214331 /nfs/dbraw/zinc/21/43/31/304214331.db2.gz ANGULSHQYPKUHS-HNNXBMFYSA-N -1 1 287.294 1.632 10 0 CDAEMM CO[C@@H]1CN(C(=O)c2ccc([O-])c(F)c2)[C@@](C)(CO)C1 ZINC000634072477 379020557 /nfs/dbraw/zinc/02/05/57/379020557.db2.gz KPUAVAAUKXOYKB-IINYFYTJSA-N -1 1 283.299 1.143 10 0 CDAEMM CC(C)n1c(=O)c2ccc(C(=O)[O-])cc2[nH]c1=S ZINC000070460358 379388063 /nfs/dbraw/zinc/38/80/63/379388063.db2.gz DWVYCKONTRRMRF-UHFFFAOYSA-N -1 1 264.306 1.964 10 0 CDAEMM Cc1cc(=O)n(-c2cncc(Br)c2)[n-]1 ZINC000144592494 379681324 /nfs/dbraw/zinc/68/13/24/379681324.db2.gz OJQMTTODMGDRBZ-UHFFFAOYSA-N -1 1 254.087 1.957 10 0 CDAEMM CC[C@H](C)[C@H](CNC(=O)c1ncc(C)cc1[O-])OC ZINC000452815370 252179821 /nfs/dbraw/zinc/17/98/21/252179821.db2.gz QXUXSWJXIFYZFP-JQWIXIFHSA-N -1 1 266.341 1.887 10 0 CDAEMM Cc1cnc(C(=O)N(C)CC(C)(C)CO)c([O-])c1 ZINC000452910449 252207383 /nfs/dbraw/zinc/20/73/83/252207383.db2.gz VGMGNTSSBGLQAH-UHFFFAOYSA-N -1 1 252.314 1.186 10 0 CDAEMM CC[C@H]1[C@H](CO)CCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000452942540 252219260 /nfs/dbraw/zinc/21/92/60/252219260.db2.gz 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281313247 /nfs/dbraw/zinc/31/32/47/281313247.db2.gz SFGPIXKPDXSEME-VHSXEESVSA-N -1 1 263.345 1.342 10 0 CDAEMM C[C@@H]1CC[C@H](C)N1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000152938844 289151976 /nfs/dbraw/zinc/15/19/76/289151976.db2.gz DRQOTDIFWPZVNX-AOOOYVTPSA-N -1 1 271.320 1.936 10 0 CDAEMM CC1(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)CCCCC1 ZINC000156636424 289268914 /nfs/dbraw/zinc/26/89/14/289268914.db2.gz BIIJYDRGCKRFMQ-NSHDSACASA-N -1 1 277.372 1.876 10 0 CDAEMM CCC[C@H](CNC(=O)c1ncc(C)cc1[O-])C(=O)OCC ZINC000556087159 290253204 /nfs/dbraw/zinc/25/32/04/290253204.db2.gz PITPLCJOLUKZOW-LLVKDONJSA-N -1 1 294.351 1.805 10 0 CDAEMM Cc1cnc(C(=O)NCc2cnc3n2CCCC3)c([O-])c1 ZINC000557188985 290334341 /nfs/dbraw/zinc/33/43/41/290334341.db2.gz GZRREKVTXSBAAC-UHFFFAOYSA-N -1 1 286.335 1.558 10 0 CDAEMM Cc1conc1[N-]C(=O)c1snnc1C(C)(C)C ZINC000331320764 293009678 /nfs/dbraw/zinc/00/96/78/293009678.db2.gz CCMUVBZUTIZROL-UHFFFAOYSA-N -1 1 266.326 1.806 10 0 CDAEMM C[C@H](CN(C)C(=O)CC1CC(C)(C)C1)c1nn[n-]n1 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PUVLCWFLQWEZRA-MNOVXSKESA-N -1 1 293.371 1.190 10 0 CDAEMM CC[C@H](C[C@@H](C)CO)NC(=O)c1ccc([O-])cn1 ZINC001566398119 1168266117 /nfs/dbraw/zinc/26/61/17/1168266117.db2.gz FXCDNZKMDVYDFY-NXEZZACHSA-N -1 1 252.314 1.314 10 0 CDAEMM O=C(N[C@H]1CC[C@H](CO)CC1)c1cccc([O-])c1F ZINC001566397695 1168266596 /nfs/dbraw/zinc/26/65/96/1168266596.db2.gz WDBLRKDPDMGGLS-MGCOHNPYSA-N -1 1 267.300 1.812 10 0 CDAEMM O=C(Nc1ccc2c(c1)COC2)c1cnncc1[O-] ZINC001566417274 1168269073 /nfs/dbraw/zinc/26/90/73/1168269073.db2.gz PWYZJTJOHIHBSE-UHFFFAOYSA-N -1 1 257.249 1.465 10 0 CDAEMM COCC[C@@H](NCc1ncc(C(F)(F)F)s1)C(=O)[O-] ZINC001647342161 1168591731 /nfs/dbraw/zinc/59/17/31/1168591731.db2.gz JTQVIVHRLMNCQW-ZCFIWIBFSA-N -1 1 298.286 1.741 10 0 CDAEMM CC(C)N(CCCNC(=O)CC1CC1)Cc1n[nH]c(=O)[n-]1 ZINC001567636061 1168898011 /nfs/dbraw/zinc/89/80/11/1168898011.db2.gz PQPIBUMSRSRJMH-UHFFFAOYSA-N -1 1 295.387 1.027 10 0 CDAEMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])n2)C[C@H](C)O1 ZINC000695208017 899148412 /nfs/dbraw/zinc/14/84/12/899148412.db2.gz CMGLJMMCYYIGOP-MNOVXSKESA-N -1 1 264.325 1.779 10 0 CDAEMM C/C(=C\c1ccccn1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001128428956 921300777 /nfs/dbraw/zinc/30/07/77/921300777.db2.gz WJCLSVQEPKOOOP-ODCIFBOLSA-N -1 1 293.330 1.779 10 0 CDAEMM CC(=O)OCSc1nc(C(F)F)cc(=O)[n-]1 ZINC001189476766 921497830 /nfs/dbraw/zinc/49/78/30/921497830.db2.gz QXWUXSIRVMTCHY-UHFFFAOYSA-N -1 1 250.226 1.733 10 0 CDAEMM COC[C@]1(C(=O)[O-])CCCN1Cc1ccoc1C ZINC000692378347 919088018 /nfs/dbraw/zinc/08/80/18/919088018.db2.gz NGTANSPQWPWOMI-ZDUSSCGKSA-N -1 1 253.298 1.654 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2cnc(C)cn2)c1 ZINC001141884096 936952445 /nfs/dbraw/zinc/95/24/45/936952445.db2.gz XVXRZEHKPLSPEK-UHFFFAOYSA-N -1 1 299.330 1.584 10 0 CDAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2nnn(C)c2C)c1 ZINC001299310470 925745031 /nfs/dbraw/zinc/74/50/31/925745031.db2.gz BZHRUFFTMUHCHM-UHFFFAOYSA-N -1 1 289.295 1.040 10 0 CDAEMM CC[C@H]1CN(C(=O)c2ccc(F)c([O-])c2)CCO1 ZINC001135822089 930441570 /nfs/dbraw/zinc/44/15/70/930441570.db2.gz JOSZRYBXICCARU-JTQLQIEISA-N -1 1 253.273 1.782 10 0 CDAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)Cc1ccncc1 ZINC001135933457 930546683 /nfs/dbraw/zinc/54/66/83/930546683.db2.gz IDJDMSMCILDNSK-UHFFFAOYSA-N -1 1 290.348 1.447 10 0 CDAEMM Cc1nnc(NC(=O)c2cc(C)cc(C=O)c2[O-])[nH]1 ZINC001136604526 931179500 /nfs/dbraw/zinc/17/95/00/931179500.db2.gz IGRPDUGKKYJJEQ-UHFFFAOYSA-N -1 1 260.253 1.192 10 0 CDAEMM C[C@H](NC(=O)c1cnncc1[O-])c1ccc(F)c(F)c1 ZINC001411798248 932033722 /nfs/dbraw/zinc/03/37/22/932033722.db2.gz DPOJYTFJZQIWCQ-ZETCQYMHSA-N -1 1 279.246 1.951 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1CCOC[C@H]1C(F)(F)F ZINC001411816937 932047706 /nfs/dbraw/zinc/04/77/06/932047706.db2.gz URLACTFLEYHYQD-JTQLQIEISA-N -1 1 293.216 1.935 10 0 CDAEMM CSc1ncc(C(=O)N[C@@H]2CCCOCC2)c(=O)[n-]1 ZINC001411956089 932177401 /nfs/dbraw/zinc/17/74/01/932177401.db2.gz WCSRGFUMMPFUBA-MRVPVSSYSA-N -1 1 283.353 1.203 10 0 CDAEMM CSc1ncc(C(=O)N[C@@H](C)c2cn[nH]c2)c(=O)[n-]1 ZINC001411989864 932197694 /nfs/dbraw/zinc/19/76/94/932197694.db2.gz QBKZHMDMCVUSGW-LURJTMIESA-N -1 1 279.325 1.118 10 0 CDAEMM Cc1n[nH]c(C(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)c1C ZINC001412268125 932353442 /nfs/dbraw/zinc/35/34/42/932353442.db2.gz MGSVDABZUNXUMS-SECBINFHSA-N -1 1 293.327 1.220 10 0 CDAEMM O=C(NC[C@H]1CCCN1CC(F)F)c1ccc([O-])cn1 ZINC001412336013 932381910 /nfs/dbraw/zinc/38/19/10/932381910.db2.gz FEMPOEYNDWHOJM-SECBINFHSA-N -1 1 285.294 1.247 10 0 CDAEMM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cnncc1[O-] ZINC001412752181 932748191 /nfs/dbraw/zinc/74/81/91/932748191.db2.gz SIANNKQDLCBMBW-IINYFYTJSA-N -1 1 293.323 1.034 10 0 CDAEMM CO[C@]12CCC[C@@]1(NC(=O)c1c([O-])cccc1F)CCO2 ZINC000928061686 933115447 /nfs/dbraw/zinc/11/54/47/933115447.db2.gz JUUHHSUTVKCATC-CABCVRRESA-N -1 1 295.310 1.947 10 0 CDAEMM CCc1n[nH]c(Cl)c1C(=O)NOCC(C)(C)O ZINC001118859287 937673346 /nfs/dbraw/zinc/67/33/46/937673346.db2.gz GWMSXNRUGBKBJD-UHFFFAOYSA-N -1 1 261.709 1.058 10 0 CDAEMM O=C([N-][C@]12CC(=O)N[C@H]1CCCC2)C(F)(F)C(F)F ZINC001119926219 937764965 /nfs/dbraw/zinc/76/49/65/937764965.db2.gz RCPSKJSNKISAJS-QUBYGPBYSA-N -1 1 282.237 1.204 10 0 CDAEMM CSc1ncc(C(=O)N[C@@H]2C[C@H]2[C@@H]2CCCO2)c(=O)[n-]1 ZINC001413218074 935953098 /nfs/dbraw/zinc/95/30/98/935953098.db2.gz XXUJMRGQIDWAPZ-QNSHHTMESA-N -1 1 295.364 1.201 10 0 CDAEMM CCCC[C@@H](O)CCC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001413426213 936027861 /nfs/dbraw/zinc/02/78/61/936027861.db2.gz KHYSFEZLJUMYLK-GFCCVEGCSA-N -1 1 295.387 1.237 10 0 CDAEMM O=C(Nc1c([O-])cccc1F)c1cnc2nccn2c1 ZINC001165759085 939576773 /nfs/dbraw/zinc/57/67/73/939576773.db2.gz MIWGIRMDTCLFRK-UHFFFAOYSA-N -1 1 272.239 1.826 10 0 CDAEMM O=C(CCc1nn[n-]n1)NCc1ccc2occc2c1 ZINC001165765468 939576918 /nfs/dbraw/zinc/57/69/18/939576918.db2.gz DCCDYNAABQREOA-UHFFFAOYSA-N -1 1 271.280 1.195 10 0 CDAEMM CCC(CC)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001263911592 944030003 /nfs/dbraw/zinc/03/00/03/944030003.db2.gz NAQGRTOJYXASAN-JTQLQIEISA-N -1 1 265.361 1.417 10 0 CDAEMM CC(C)(NC(=O)c1cnncc1O)c1ccccc1F ZINC001362644817 971488542 /nfs/dbraw/zinc/48/85/42/971488542.db2.gz PIBSJKRUYWKCCT-UHFFFAOYSA-N -1 1 275.283 1.986 10 0 CDAEMM CC(C)(NC(=O)c1cnncc1[O-])c1ccccc1F ZINC001362644817 971488547 /nfs/dbraw/zinc/48/85/47/971488547.db2.gz PIBSJKRUYWKCCT-UHFFFAOYSA-N -1 1 275.283 1.986 10 0 CDAEMM O=C(c1ncc(Cl)s1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362712617 971553632 /nfs/dbraw/zinc/55/36/32/971553632.db2.gz XDYYQXRUNULPAH-ZCFIWIBFSA-N -1 1 298.759 1.329 10 0 CDAEMM CO[C@H]1COCC[C@H]1CNC(=O)c1cccc([O-])c1F ZINC001362940681 971746489 /nfs/dbraw/zinc/74/64/89/971746489.db2.gz ZTJCDRRKNMFENO-CABZTGNLSA-N -1 1 283.299 1.313 10 0 CDAEMM CSc1ncc(C(=O)NCCC(C)(C)CO)c(=O)[n-]1 ZINC001362941219 971746657 /nfs/dbraw/zinc/74/66/57/971746657.db2.gz YZBGFHGJOJUFGE-UHFFFAOYSA-N -1 1 285.369 1.043 10 0 CDAEMM Cc1cncc(CCNC(=O)c2cnc(C3CC3)[n-]c2=O)n1 ZINC001362966858 971769634 /nfs/dbraw/zinc/76/96/34/971769634.db2.gz FILFYLSDWGHQSL-UHFFFAOYSA-N -1 1 299.334 1.131 10 0 CDAEMM CSc1ncc(C(=O)NC[C@@H]2CCCC[C@H]2O)c(=O)[n-]1 ZINC001362967777 971770868 /nfs/dbraw/zinc/77/08/68/971770868.db2.gz QMVBYYIYBKXHSO-WCBMZHEXSA-N -1 1 297.380 1.185 10 0 CDAEMM O=C(c1ccccc1C(F)F)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001363522863 953412028 /nfs/dbraw/zinc/41/20/28/953412028.db2.gz GVTXFFHFGZIXII-MRVPVSSYSA-N -1 1 293.277 1.767 10 0 CDAEMM O=C(Nn1nnc2c1CCCC2)c1cccc([O-])c1F ZINC001363630761 953574242 /nfs/dbraw/zinc/57/42/42/953574242.db2.gz MSVANAUVGAUIBX-UHFFFAOYSA-N -1 1 276.271 1.386 10 0 CDAEMM CC(C)OC(=O)C(C)(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001363667101 953627421 /nfs/dbraw/zinc/62/74/21/953627421.db2.gz GJHZTODHCXAXKM-UHFFFAOYSA-N -1 1 283.299 1.991 10 0 CDAEMM CC(C)Oc1cnccc1NC(=O)c1ccc([O-])cn1 ZINC001364420656 954595134 /nfs/dbraw/zinc/59/51/34/954595134.db2.gz ISPJPIWJGUGPQW-UHFFFAOYSA-N -1 1 273.292 1.644 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NC2COC(C)(C)OC2)c1 ZINC001296188860 954820372 /nfs/dbraw/zinc/82/03/72/954820372.db2.gz POOJRODEUPIZNF-UHFFFAOYSA-N -1 1 293.319 1.394 10 0 CDAEMM O=C(Cc1cnc[nH]1)Nc1ccc(O)c(F)c1F ZINC001297820056 955083118 /nfs/dbraw/zinc/08/31/18/955083118.db2.gz GCSCZXXDVGVRQO-UHFFFAOYSA-N -1 1 253.208 1.575 10 0 CDAEMM O=C(Cc1c[nH]cn1)Nc1ccc([O-])c(F)c1F ZINC001297820056 955083131 /nfs/dbraw/zinc/08/31/31/955083131.db2.gz GCSCZXXDVGVRQO-UHFFFAOYSA-N -1 1 253.208 1.575 10 0 CDAEMM O=C([N-]CCCOC(=O)C1(CF)CCC1)C(F)(F)F ZINC001328181042 955215990 /nfs/dbraw/zinc/21/59/90/955215990.db2.gz FPDJYQLTYGGTDC-UHFFFAOYSA-N -1 1 285.237 1.738 10 0 CDAEMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1C ZINC001363364204 972114845 /nfs/dbraw/zinc/11/48/45/972114845.db2.gz QUDSQLVZVVIRSK-UHFFFAOYSA-N -1 1 271.324 1.626 10 0 CDAEMM O=C([O-])c1cc(CN2CC[C@]3(C2)CCCOC3)[nH]n1 ZINC001332406099 957551659 /nfs/dbraw/zinc/55/16/59/957551659.db2.gz HTELALPPRFQNKT-ZDUSSCGKSA-N -1 1 265.313 1.110 10 0 CDAEMM Cc1cnc([C@H](C)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])o1 ZINC001332456783 957573373 /nfs/dbraw/zinc/57/33/73/957573373.db2.gz RXNSHBCIJUBKDL-MMWGEVLESA-N -1 1 250.298 1.697 10 0 CDAEMM Cc1nnc([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2)[nH]1 ZINC001434095863 960973076 /nfs/dbraw/zinc/97/30/76/960973076.db2.gz CNMQOGQBOODSMP-SNVBAGLBSA-N -1 1 287.323 1.152 10 0 CDAEMM CCO[C@@H]1CCCC[C@H]1NC(=O)c1cnncc1[O-] ZINC001337303410 961098433 /nfs/dbraw/zinc/09/84/33/961098433.db2.gz KIWSXNSDAYVCKA-ZYHUDNBSSA-N -1 1 265.313 1.260 10 0 CDAEMM C[C@H]([C@H](C)C(=O)N1CC[C@@H](c2nn[n-]n2)C1)C(C)(C)C ZINC001434315085 961153775 /nfs/dbraw/zinc/15/37/75/961153775.db2.gz VIEBWQKVFNPNTO-HBNTYKKESA-N -1 1 279.388 1.834 10 0 CDAEMM COC[C@@H](C[N@@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1)OC ZINC001434485337 961506991 /nfs/dbraw/zinc/50/69/91/961506991.db2.gz YKAZIUDQSRQGBB-SNVBAGLBSA-N -1 1 279.340 1.037 10 0 CDAEMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2cnccn2)C1 ZINC001420051893 962418668 /nfs/dbraw/zinc/41/86/68/962418668.db2.gz CJFGKOKDKYOSIR-SNVBAGLBSA-N -1 1 287.294 1.951 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)[C@@H](CO)CC(C)C)c1 ZINC001556265329 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393033198 /nfs/dbraw/zinc/03/31/98/393033198.db2.gz SYIUNTADEKEGDT-RXMQYKEDSA-N -1 1 250.270 1.983 10 0 CDAEMM Cc1ccc2c([n-]cc(C(=O)N[C@@H]3CO[C@H](C)C3)c2=O)[nH+]1 ZINC000649237761 393141362 /nfs/dbraw/zinc/14/13/62/393141362.db2.gz KAJYEIXLJWNJNX-ZJUUUORDSA-N -1 1 287.319 1.551 10 0 CDAEMM Cc1ccc2c([O-])c(C(=O)N[C@@H]3CO[C@H](C)C3)cnc2n1 ZINC000649237761 393141369 /nfs/dbraw/zinc/14/13/69/393141369.db2.gz KAJYEIXLJWNJNX-ZJUUUORDSA-N -1 1 287.319 1.551 10 0 CDAEMM CO[C@@H]1CN(C(=O)c2ccc([O-])cc2F)C[C@H]1OC ZINC000234775509 140232042 /nfs/dbraw/zinc/23/20/42/140232042.db2.gz QEPRWGMXOUAKHF-VXGBXAGGSA-N -1 1 269.272 1.017 10 0 CDAEMM NC(=O)c1csc(=NC2CCC(OC(F)F)CC2)[n-]1 ZINC000649523910 397801424 /nfs/dbraw/zinc/80/14/24/397801424.db2.gz GUSLZSYKHVZDBK-UHFFFAOYSA-N -1 1 291.323 1.626 10 0 CDAEMM COc1ccc(C(=O)Nc2ncn(C(C)C)n2)c([O-])c1 ZINC000650276106 397840147 /nfs/dbraw/zinc/84/01/47/397840147.db2.gz LIWFDSFBFIGVQA-UHFFFAOYSA-N -1 1 276.296 1.826 10 0 CDAEMM Cn1c(CNC(=O)c2cncc([O-])c2)nnc1C1CCC1 ZINC000119024753 147300846 /nfs/dbraw/zinc/30/08/46/147300846.db2.gz CGNMRLKMJCXQIY-UHFFFAOYSA-N -1 1 287.323 1.113 10 0 CDAEMM CCO[C@@H](CC(=O)NC1(c2nn[n-]n2)CCCC1)C(C)C ZINC000349655822 154168895 /nfs/dbraw/zinc/16/88/95/154168895.db2.gz NJOICWSNEAKNNJ-NSHDSACASA-N -1 1 295.387 1.536 10 0 CDAEMM CCC[C@H](NC(=O)c1nc(CC)oc1C)c1nn[n-]n1 ZINC000354009753 156221492 /nfs/dbraw/zinc/22/14/92/156221492.db2.gz KYIKLELKYUFUAJ-QMMMGPOBSA-N -1 1 278.316 1.330 10 0 CDAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H]1C[C@H]1C ZINC000354183334 156310688 /nfs/dbraw/zinc/31/06/88/156310688.db2.gz ZLZIOMQAEBXUPW-IYSWYEEDSA-N -1 1 253.327 1.351 10 0 CDAEMM CC(C)(CN=c1ccc(C(N)=O)n[n-]1)C1=CCCCC1 ZINC000355791597 157238387 /nfs/dbraw/zinc/23/83/87/157238387.db2.gz ZJPZRDYNUBEDSS-UHFFFAOYSA-N -1 1 274.368 1.936 10 0 CDAEMM CCc1nnc([C@H](C)S(=O)(=O)c2ccc([O-])cc2)[nH]1 ZINC000656556331 413433342 /nfs/dbraw/zinc/43/33/42/413433342.db2.gz SLEVATXEBFBNGA-QMMMGPOBSA-N -1 1 281.337 1.608 10 0 CDAEMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)Nc1ccccc1F ZINC000021954840 171340984 /nfs/dbraw/zinc/34/09/84/171340984.db2.gz XTRXJTQWJIJKNA-NSHDSACASA-N -1 1 292.270 1.366 10 0 CDAEMM O=S(=O)([N-]Cc1ccccn1)c1cnc(Cl)s1 ZINC000035356433 172147053 /nfs/dbraw/zinc/14/70/53/172147053.db2.gz ZOTWTJPLZHAMJU-UHFFFAOYSA-N -1 1 289.769 1.670 10 0 CDAEMM C[C@H](NCC(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000035387138 172168578 /nfs/dbraw/zinc/16/85/78/172168578.db2.gz GGKPASFGUKSXFN-JTQLQIEISA-N -1 1 254.330 1.056 10 0 CDAEMM C[C@H](O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000035634674 172318678 /nfs/dbraw/zinc/31/86/78/172318678.db2.gz BWLLVZPQUFIXAO-JTQLQIEISA-N -1 1 278.333 1.936 10 0 CDAEMM CNc1ccc([N-]S(=O)(=O)c2ccn(C)c2)cc1 ZINC000036287773 172583596 /nfs/dbraw/zinc/58/35/96/172583596.db2.gz ACHJTZNNYOEQOG-UHFFFAOYSA-N -1 1 265.338 1.868 10 0 CDAEMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@@H](N)c1cccc(Cl)c1 ZINC000656855696 413759820 /nfs/dbraw/zinc/75/98/20/413759820.db2.gz QQUBOUDZXCANGG-MNOVXSKESA-N -1 1 284.743 1.661 10 0 CDAEMM Cc1ccnc([N-]S(=O)(=O)Cc2cccc(N)c2)c1 ZINC000037053947 172921938 /nfs/dbraw/zinc/92/19/38/172921938.db2.gz XUNWKRGEEKQZIU-UHFFFAOYSA-N -1 1 277.349 1.914 10 0 CDAEMM CCCc1cc(=O)[n-]c(S[C@H]2CCC[C@@H]2O)n1 ZINC000037490263 173231903 /nfs/dbraw/zinc/23/19/03/173231903.db2.gz JDTUZZOEZXRWPX-UWVGGRQHSA-N -1 1 254.355 1.728 10 0 CDAEMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(N)=O ZINC000038897586 174158646 /nfs/dbraw/zinc/15/86/46/174158646.db2.gz AETMLLPUMRFAFY-UHFFFAOYSA-N -1 1 289.360 1.398 10 0 CDAEMM Nc1cc(N)nc(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000040415724 174256043 /nfs/dbraw/zinc/25/60/43/174256043.db2.gz BSYGTZLPYFQWTN-SNVBAGLBSA-N -1 1 276.321 1.559 10 0 CDAEMM C[C@H]1CCC[C@@H](NC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000040571897 174338938 /nfs/dbraw/zinc/33/89/38/174338938.db2.gz CFGGTKZZUHMHAJ-UMNHJUIQSA-N -1 1 294.355 1.283 10 0 CDAEMM CC(C)C[C@@H](C)NC(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000040573206 174339767 /nfs/dbraw/zinc/33/97/67/174339767.db2.gz KAKQZJUGPQFLAY-GFCCVEGCSA-N -1 1 285.388 1.223 10 0 CDAEMM CC(C)C[C@@H](NCC(=O)N[C@@H](C)C(C)C)C(=O)[O-] ZINC000043442490 175046824 /nfs/dbraw/zinc/04/68/24/175046824.db2.gz YDNAEILAUOZOPH-WDEREUQCSA-N -1 1 258.362 1.236 10 0 CDAEMM CC(C)C[C@H](NCC(=O)NCc1ccccc1)C(=O)[O-] ZINC000043443667 175047195 /nfs/dbraw/zinc/04/71/95/175047195.db2.gz AMEXPPPUKQVOQY-ZDUSSCGKSA-N -1 1 278.352 1.392 10 0 CDAEMM CC(C)C[C@H](NC(=O)[C@H]1NCCc2ccccc21)C(=O)[O-] ZINC000043595592 175075820 /nfs/dbraw/zinc/07/58/20/175075820.db2.gz BEVKWASPUYOEOO-KBPBESRZSA-N -1 1 290.363 1.489 10 0 CDAEMM CC(C)N(CC(=O)[O-])C(=O)[C@H]1NCCc2ccccc21 ZINC000043595718 175076633 /nfs/dbraw/zinc/07/66/33/175076633.db2.gz WMOUAYYJZYGZCL-AWEZNQCLSA-N -1 1 276.336 1.195 10 0 CDAEMM C[C@@H](NC(=O)c1cccc(Br)c1)c1nn[n-]n1 ZINC000044345420 175164475 /nfs/dbraw/zinc/16/44/75/175164475.db2.gz ZFYFCVVDJXJWAX-ZCFIWIBFSA-N -1 1 296.128 1.453 10 0 CDAEMM CC(=O)c1ccc(NC(=O)N[C@H](C)c2nn[n-]n2)cc1 ZINC000044883199 175269980 /nfs/dbraw/zinc/26/99/80/175269980.db2.gz UCQIIRHNGJAUKU-SSDOTTSWSA-N -1 1 274.284 1.285 10 0 CDAEMM C[C@@H](N[C@H](C)c1ccc(S(C)(=O)=O)cc1)c1nnn[n-]1 ZINC000044888237 175270966 /nfs/dbraw/zinc/27/09/66/175270966.db2.gz ZQPRSSIUFMWQOK-RKDXNWHRSA-N -1 1 295.368 1.015 10 0 CDAEMM C[C@@H](c1nn[n-]n1)N1C(=O)CC2(CCCCC2)CC1=O ZINC000044931041 175280024 /nfs/dbraw/zinc/28/00/24/175280024.db2.gz KICOKFHPGISLHT-VIFPVBQESA-N -1 1 277.328 1.360 10 0 CDAEMM CCc1n[n-]c(=S)n1CCC(=O)N[C@H](C)CC ZINC000045005193 175288419 /nfs/dbraw/zinc/28/84/19/175288419.db2.gz JFEALJQUYBGJIA-MRVPVSSYSA-N -1 1 256.375 1.808 10 0 CDAEMM O=c1cc[nH]cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000071223878 176088529 /nfs/dbraw/zinc/08/85/29/176088529.db2.gz RQWOYQZNSYUUJA-JTQLQIEISA-N -1 1 294.332 1.324 10 0 CDAEMM CCCc1nc2ccc(C)cn2c1C(=O)Nc1nn[n-]n1 ZINC000071450647 176175393 /nfs/dbraw/zinc/17/53/93/176175393.db2.gz NSAVBBJTLBMYPV-UHFFFAOYSA-N -1 1 285.311 1.361 10 0 CDAEMM CC1=C(C(=O)[O-])SC2=N[C@@H](c3ccccc3)NC(=N)N12 ZINC000072416220 176399997 /nfs/dbraw/zinc/39/99/97/176399997.db2.gz UPAHFLPHJSEKFN-JTQLQIEISA-N -1 1 288.332 1.734 10 0 CDAEMM CCNC(=O)c1ccc(=NCCCC(C)(F)F)[n-]n1 ZINC000390041106 262090230 /nfs/dbraw/zinc/09/02/30/262090230.db2.gz AWVRIWFGCUWHTP-UHFFFAOYSA-N -1 1 272.299 1.496 10 0 CDAEMM CCNC(=O)c1ccc(=NC[C@H]2CCCCC2(F)F)[n-]n1 ZINC000391087361 262380285 /nfs/dbraw/zinc/38/02/85/262380285.db2.gz XAGSOSMLXNQNON-SNVBAGLBSA-N -1 1 298.337 1.886 10 0 CDAEMM CO[C@](C)(CO)CNC(=O)c1cc(Cl)ccc1[O-] ZINC000655207580 423769310 /nfs/dbraw/zinc/76/93/10/423769310.db2.gz APKLDFGKIULSBR-LBPRGKRZSA-N -1 1 273.716 1.173 10 0 CDAEMM O=C([O-])[C@]1(NCc2cc3n(n2)CCCC3)CCSC1 ZINC000653504409 424220760 /nfs/dbraw/zinc/22/07/60/424220760.db2.gz SZFZXORHPIMZNB-ZDUSSCGKSA-N -1 1 281.381 1.269 10 0 CDAEMM CN(Cc1ccc(F)cc1Cl)C[C@@](C)(O)C(=O)[O-] ZINC000652410632 424392315 /nfs/dbraw/zinc/39/23/15/424392315.db2.gz HOKCXOJYAGLOPQ-GFCCVEGCSA-N -1 1 275.707 1.747 10 0 CDAEMM C[C@H]1CN(C(=O)c2cncc([O-])c2)C2(CCC2)CO1 ZINC000652882466 424445134 /nfs/dbraw/zinc/44/51/34/424445134.db2.gz UEGQHKPQWGJTEY-JTQLQIEISA-N -1 1 262.309 1.571 10 0 CDAEMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1[C@H](C)C[C@H]1C ZINC000526960001 270651774 /nfs/dbraw/zinc/65/17/74/270651774.db2.gz ZYUJHOAWPVMIKO-RKDXNWHRSA-N -1 1 288.351 1.604 10 0 CDAEMM C[C@H](CC(=O)NC1(c2nn[n-]n2)CCCC1)c1ccco1 ZINC000528600129 270844568 /nfs/dbraw/zinc/84/45/68/270844568.db2.gz YAXWNMGSTGNNNL-SNVBAGLBSA-N -1 1 289.339 1.872 10 0 CDAEMM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1cc(F)ccc1[O-] ZINC000529796304 271043720 /nfs/dbraw/zinc/04/37/20/271043720.db2.gz WOAOQVGVGSBTJN-RMLUDKJBSA-N -1 1 265.284 1.829 10 0 CDAEMM C[C@@H]1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]1C ZINC000175414088 278544293 /nfs/dbraw/zinc/54/42/93/278544293.db2.gz PBRQVDKTOMOFGT-ZJUUUORDSA-N -1 1 271.320 1.794 10 0 CDAEMM COC(=O)c1ccc(CNC(=O)c2cncc([O-])c2)cc1 ZINC000111776600 279325264 /nfs/dbraw/zinc/32/52/64/279325264.db2.gz TZYYIBKQIJIGNH-UHFFFAOYSA-N -1 1 286.287 1.504 10 0 CDAEMM CCN1CCN(C(=O)c2ncc(C)cc2[O-])C(C)(C)C1=O ZINC000408377730 279350629 /nfs/dbraw/zinc/35/06/29/279350629.db2.gz RSADIIYGOAHMBC-UHFFFAOYSA-N -1 1 291.351 1.179 10 0 CDAEMM O=C(NC[C@@]1(CCO)CCOC1)c1ccc(Cl)cc1[O-] ZINC000119175859 279357600 /nfs/dbraw/zinc/35/76/00/279357600.db2.gz VALIIWNDBFONEP-CQSZACIVSA-N -1 1 299.754 1.565 10 0 CDAEMM CC[C@@H]1C(=O)N(CC)CCN1C(=O)c1ncc(C)cc1[O-] ZINC000331127249 280223677 /nfs/dbraw/zinc/22/36/77/280223677.db2.gz BXMWUUCDXKBAPF-LLVKDONJSA-N -1 1 291.351 1.179 10 0 CDAEMM CCN(CCO)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153553691 289172995 /nfs/dbraw/zinc/17/29/95/289172995.db2.gz GNGJFGRLYMPWCN-UHFFFAOYSA-N -1 1 273.716 1.509 10 0 CDAEMM CCc1nc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)o1 ZINC000552121001 290051716 /nfs/dbraw/zinc/05/17/16/290051716.db2.gz KSYCUVNFRKNXCE-SECBINFHSA-N -1 1 290.327 1.078 10 0 CDAEMM O=c1nc(NCC2(C(F)(F)F)CC2)nc2[nH][n-]cc1-2 ZINC000553297278 290110149 /nfs/dbraw/zinc/11/01/49/290110149.db2.gz ODNISECTZMJPIT-UHFFFAOYSA-N -1 1 273.218 1.186 10 0 CDAEMM C(N=c1nc(C2CCOCC2)[n-]o1)C1CCSCC1 ZINC000562719643 293183067 /nfs/dbraw/zinc/18/30/67/293183067.db2.gz WPFQFLXZBKBUNQ-UHFFFAOYSA-N -1 1 283.397 1.941 10 0 CDAEMM CCc1nc(S[C@H]2CCCNC2=O)[n-]c(=O)c1C ZINC000569020889 294144910 /nfs/dbraw/zinc/14/49/10/294144910.db2.gz JNXFGBIOALFLMZ-VIFPVBQESA-N -1 1 267.354 1.424 10 0 CDAEMM Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3C[C@@](C)(O)C3)c12 ZINC000574992383 295085879 /nfs/dbraw/zinc/08/58/79/295085879.db2.gz HFFXVSKBNLSEQS-PPRHIFSWSA-N -1 1 293.348 1.445 10 0 CDAEMM Cc1cnc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000408225702 302333463 /nfs/dbraw/zinc/33/34/63/302333463.db2.gz WKFBEESSQQYRQM-CMPLNLGQSA-N -1 1 294.376 1.442 10 0 CDAEMM O=C(NCc1noc(C2CC2)n1)c1c(F)ccc([O-])c1F ZINC000582633262 325012661 /nfs/dbraw/zinc/01/26/61/325012661.db2.gz MLVBLZRUTINIHG-UHFFFAOYSA-N -1 1 295.245 1.861 10 0 CDAEMM O=C(N[C@H]1COC2(CCC2)C1)c1ccc([O-])cc1F ZINC000688343161 1160169698 /nfs/dbraw/zinc/16/96/98/1160169698.db2.gz UXMLYAOSNLNGJE-SECBINFHSA-N -1 1 265.284 1.973 10 0 CDAEMM C[C@H](O)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681048040 482669377 /nfs/dbraw/zinc/66/93/77/482669377.db2.gz NVOJQFKEEBAZLK-VIFPVBQESA-N -1 1 267.300 1.764 10 0 CDAEMM COCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868911 483005392 /nfs/dbraw/zinc/00/53/92/483005392.db2.gz JNDVMTKUXRHZTA-UHFFFAOYSA-N -1 1 263.215 1.787 10 0 CDAEMM CC1N=NC(C(=O)Nc2ccc3nccn3c2)=C1[O-] ZINC000676698557 483564522 /nfs/dbraw/zinc/56/45/22/483564522.db2.gz HPCZYAJZJRAFHI-UHFFFAOYSA-N -1 1 257.253 1.324 10 0 CDAEMM Cc1ccoc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282885698 534435092 /nfs/dbraw/zinc/43/50/92/534435092.db2.gz KBDOGVIJMFHHBO-SECBINFHSA-N -1 1 276.296 1.019 10 0 CDAEMM CCNc1ccc(C(=O)N[C@@H](C)c2nn[n-]n2)cc1 ZINC000050778931 520291258 /nfs/dbraw/zinc/29/12/58/520291258.db2.gz IZDFUNBOPLIMGB-QMMMGPOBSA-N -1 1 260.301 1.123 10 0 CDAEMM CCCOc1cccc(C(=O)N[C@@H](C)c2nn[n-]n2)c1 ZINC000061668045 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1.202 10 0 CDAEMM CCOC(=O)CC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC000131127702 342227318 /nfs/dbraw/zinc/22/73/18/342227318.db2.gz UYHKIQSTYYBWFY-SECBINFHSA-N -1 1 266.297 1.249 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@]3(C)C(C)C)nc2n1 ZINC000622871106 342264103 /nfs/dbraw/zinc/26/41/03/342264103.db2.gz QXWJBMGJZXPDEE-LKFCYVNXSA-N -1 1 289.339 1.347 10 0 CDAEMM O=C(NCC1CCC(O)CC1)c1c(F)ccc([O-])c1F ZINC000619412367 349691285 /nfs/dbraw/zinc/69/12/85/349691285.db2.gz QGOBYBHDYUMVMV-UHFFFAOYSA-N -1 1 285.290 1.951 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cccc(O)c1 ZINC000095157999 342430415 /nfs/dbraw/zinc/43/04/15/342430415.db2.gz XTAJSKNVJUWYOO-UHFFFAOYSA-N -1 1 273.296 1.105 10 0 CDAEMM Cc1cccnc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000095333099 342431559 /nfs/dbraw/zinc/43/15/59/342431559.db2.gz QWSPZDADICCQNX-UHFFFAOYSA-N -1 1 272.312 1.102 10 0 CDAEMM CCOC(=O)c1cnc(NC(=O)C[C@H](C)[C@@H]2CCCO2)[n-]1 ZINC000598729887 343888238 /nfs/dbraw/zinc/88/82/38/343888238.db2.gz VNEAIZPEGGLKHJ-ONGXEEELSA-N -1 1 295.339 1.730 10 0 CDAEMM CCOC(=O)c1c[n-]c(NC(=O)C[C@H](C)[C@@H]2CCCO2)n1 ZINC000598729887 343888239 /nfs/dbraw/zinc/88/82/39/343888239.db2.gz VNEAIZPEGGLKHJ-ONGXEEELSA-N -1 1 295.339 1.730 10 0 CDAEMM CC(C)[C@H](N)C(=O)OCc1ccc(OCC(=O)[O-])cc1 ZINC000215086458 344689605 /nfs/dbraw/zinc/68/96/05/344689605.db2.gz HFHXCTRAMJEQSW-ZDUSSCGKSA-N -1 1 281.308 1.177 10 0 CDAEMM CO[C@H](CNC(=O)c1c([O-])cccc1F)[C@@H]1CCOC1 ZINC000617131637 344917169 /nfs/dbraw/zinc/91/71/69/344917169.db2.gz CEJMWFKAUNGFKT-BXKDBHETSA-N -1 1 283.299 1.313 10 0 CDAEMM O=C(CC/C=C/c1ccccc1)NCc1nn[n-]n1 ZINC000606370042 344998071 /nfs/dbraw/zinc/99/80/71/344998071.db2.gz BHVJBMQLARDETH-XBXARRHUSA-N -1 1 257.297 1.310 10 0 CDAEMM COC[C@@H](NC(=O)c1ncc(C)cc1[O-])C1CCOCC1 ZINC000617367919 362583650 /nfs/dbraw/zinc/58/36/50/362583650.db2.gz KLUFHNCDRCMPGB-GFCCVEGCSA-N -1 1 294.351 1.267 10 0 CDAEMM O=C([O-])[C@H]1CCCC[C@H]1Nc1ncnc2[nH]cnc21 ZINC000085330651 179020911 /nfs/dbraw/zinc/02/09/11/179020911.db2.gz GKMWCSKIEUWZSI-JGVFFNPUSA-N -1 1 261.285 1.408 10 0 CDAEMM CC(C)CCN1CCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000085413500 179057521 /nfs/dbraw/zinc/05/75/21/179057521.db2.gz SFOZXVJCXQZUEA-CHWSQXEVSA-N -1 1 296.411 1.534 10 0 CDAEMM CC(C)C[C@H](C)CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000069422965 347573517 /nfs/dbraw/zinc/57/35/17/347573517.db2.gz YLNNICDQLUYHGE-QMMMGPOBSA-N -1 1 288.373 1.219 10 0 CDAEMM CC(C)C[C@H](C)CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000069422965 347573521 /nfs/dbraw/zinc/57/35/21/347573521.db2.gz YLNNICDQLUYHGE-QMMMGPOBSA-N -1 1 288.373 1.219 10 0 CDAEMM O=C(NCc1nn[n-]n1)c1cccc(C2CCCC2)c1 ZINC000613537517 347778801 /nfs/dbraw/zinc/77/88/01/347778801.db2.gz HCFJGTKUGVDKOM-UHFFFAOYSA-N -1 1 271.324 1.787 10 0 CDAEMM C[C@@H](CN(C)C(=O)Cc1ccncc1Cl)c1nn[n-]n1 ZINC000613473588 347751331 /nfs/dbraw/zinc/75/13/31/347751331.db2.gz AUUTUITVORPXAW-QMMMGPOBSA-N -1 1 294.746 1.053 10 0 CDAEMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2c(n1)CCCC2 ZINC000615219824 348394870 /nfs/dbraw/zinc/39/48/70/348394870.db2.gz CMIWOJDQSNWQFQ-UHFFFAOYSA-N -1 1 272.308 1.950 10 0 CDAEMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H](C)c1cccnc1 ZINC000615226949 348399242 /nfs/dbraw/zinc/39/92/42/348399242.db2.gz NJTDQFVGNRNIDF-MRVPVSSYSA-N -1 1 260.297 1.951 10 0 CDAEMM COC[C@H]1CCN1C(=O)c1ncc2ccccc2c1[O-] ZINC000615294919 348425376 /nfs/dbraw/zinc/42/53/76/348425376.db2.gz SAPHDHAHYKZGBU-LLVKDONJSA-N -1 1 272.304 1.801 10 0 CDAEMM O=C(C(=O)N1CCC[C@H]1c1cn[nH]c1)c1ccc([O-])cc1 ZINC000615892531 348955899 /nfs/dbraw/zinc/95/58/99/348955899.db2.gz UUXFAIRJUPIQCN-ZDUSSCGKSA-N -1 1 285.303 1.662 10 0 CDAEMM CN(CC1CN(C)C1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000618191524 349396866 /nfs/dbraw/zinc/39/68/66/349396866.db2.gz HRMJEBWACUJTRX-UHFFFAOYSA-N -1 1 286.734 1.818 10 0 CDAEMM Cc1cnc(C(=O)N[C@H](c2ccccc2)[C@H](C)O)c([O-])c1 ZINC000620992961 350397222 /nfs/dbraw/zinc/39/72/22/350397222.db2.gz YZUGEZJLFVFTJH-FZMZJTMJSA-N -1 1 286.331 1.948 10 0 CDAEMM C[C@@H]1CN(C(=O)c2cncc([O-])c2)C[C@](C)(C(F)F)O1 ZINC000621122950 350446647 /nfs/dbraw/zinc/44/66/47/350446647.db2.gz HGFXHGPFWFNKHN-AMIZOPFISA-N -1 1 286.278 1.672 10 0 CDAEMM O=S(=O)([N-][C@@H](C(F)F)C1CCCCC1)c1c[nH]cn1 ZINC000621323839 350542918 /nfs/dbraw/zinc/54/29/18/350542918.db2.gz OPFKGKREMCYJMO-SNVBAGLBSA-N -1 1 293.339 1.902 10 0 CDAEMM Clc1cc(Br)cnc1NCc1nn[n-]n1 ZINC000236052928 362971401 /nfs/dbraw/zinc/97/14/01/362971401.db2.gz LBWAJNTZVZQREX-UHFFFAOYSA-N -1 1 289.524 1.623 10 0 CDAEMM CCc1cc([N-]C(=O)c2cc(OC)ns2)no1 ZINC000621879488 350829295 /nfs/dbraw/zinc/82/92/95/350829295.db2.gz ZTVKYPIKFCKKCH-UHFFFAOYSA-N -1 1 253.283 1.376 10 0 CDAEMM C[C@@H]1C[C@H](CO)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000629675090 363323484 /nfs/dbraw/zinc/32/34/84/363323484.db2.gz NEGSJCYTUROELJ-RKDXNWHRSA-N -1 1 285.290 1.903 10 0 CDAEMM CCCc1c(C)[n-]n([C@@H]2CCCS(=O)(=O)C2)c1=O ZINC000634633569 356609189 /nfs/dbraw/zinc/60/91/89/356609189.db2.gz APZAYLISRLTXLY-GHMZBOCLSA-N -1 1 272.370 1.198 10 0 CDAEMM COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ncccc1[O-] ZINC000456137345 363538918 /nfs/dbraw/zinc/53/89/18/363538918.db2.gz QKDSUYUXHALYMT-ZJUUUORDSA-N -1 1 278.308 1.249 10 0 CDAEMM CO[C@H]1C[C@@H](CNC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000629817640 363558056 /nfs/dbraw/zinc/55/80/56/363558056.db2.gz SBSQFZROGBKNGA-OCAPTIKFSA-N -1 1 271.263 1.825 10 0 CDAEMM CC(C)N(C(=O)c1cccc2nn[nH]c21)[C@H]1CCOC1 ZINC000644687836 366373983 /nfs/dbraw/zinc/37/39/83/366373983.db2.gz IYPRUCRCORLTMT-JTQLQIEISA-N -1 1 274.324 1.597 10 0 CDAEMM COC(=O)CCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000188799904 357937945 /nfs/dbraw/zinc/93/79/45/357937945.db2.gz ADGCGUJLEJLJLD-UHFFFAOYSA-N -1 1 294.233 1.495 10 0 CDAEMM CC1([N-]S(=O)(=O)c2c(F)cccc2Cl)COC1 ZINC000632664417 363605249 /nfs/dbraw/zinc/60/52/49/363605249.db2.gz CYYCLUGVDWZTGZ-UHFFFAOYSA-N -1 1 279.720 1.546 10 0 CDAEMM CC(=O)c1ccc([O-])c(NS(=O)(=O)N2CCC[C@@H]2C)c1 ZINC000408285753 358920042 /nfs/dbraw/zinc/92/00/42/358920042.db2.gz INPYHHOZSSJECX-VIFPVBQESA-N -1 1 298.364 1.736 10 0 CDAEMM O=C(CCc1nn[n-]n1)NCc1ccccc1Cl ZINC000095167032 482819661 /nfs/dbraw/zinc/81/96/61/482819661.db2.gz TZHFZCLCFGWFON-UHFFFAOYSA-N -1 1 265.704 1.102 10 0 CDAEMM Cc1cc(C(=O)Nc2nn[n-]n2)nc(-c2ccc(N)cc2)c1 ZINC000029313411 359131073 /nfs/dbraw/zinc/13/10/73/359131073.db2.gz WVWHGGTZAQFOBA-UHFFFAOYSA-N -1 1 295.306 1.405 10 0 CDAEMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(C)=C[C@H](C)C2)co1 ZINC000335274487 359288281 /nfs/dbraw/zinc/28/82/81/359288281.db2.gz QLIMSUNQLTYYMO-VIFPVBQESA-N -1 1 298.364 1.226 10 0 CDAEMM CCCOCC(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119809924 359958050 /nfs/dbraw/zinc/95/80/50/359958050.db2.gz MSNDMJKMUOUUCF-UHFFFAOYSA-N -1 1 263.301 1.175 10 0 CDAEMM COc1cc(C(=O)N[C@H]2COCCC2=O)cc(Cl)c1[O-] ZINC000628871115 361226001 /nfs/dbraw/zinc/22/60/01/361226001.db2.gz WMATXQHDUDZFRJ-VIFPVBQESA-N -1 1 299.710 1.142 10 0 CDAEMM CS[C@@H](C(=O)NC1(c2nn[n-]n2)CC1)c1ccccc1 ZINC000357058901 366726911 /nfs/dbraw/zinc/72/69/11/366726911.db2.gz RBXBTDOXNOJHGO-SNVBAGLBSA-N -1 1 289.364 1.409 10 0 CDAEMM O=C(CN1CCN(C2CC2)C1=O)Nc1cccc(F)c1[O-] ZINC000628960023 361357421 /nfs/dbraw/zinc/35/74/21/361357421.db2.gz HWOQSJHAMZRJFB-UHFFFAOYSA-N -1 1 293.298 1.370 10 0 CDAEMM CCc1cnc(CN2CCC(c3n[n-]c(=O)o3)CC2)o1 ZINC000562542312 361570702 /nfs/dbraw/zinc/57/07/02/361570702.db2.gz UIBVKUGGGCAQKO-UHFFFAOYSA-N -1 1 278.312 1.705 10 0 CDAEMM CCC[C@H](NC(=O)[C@H](C)c1cccnc1)c1nn[n-]n1 ZINC000268134505 363982654 /nfs/dbraw/zinc/98/26/54/363982654.db2.gz CBXUUFUYBPIEBV-KOLCDFICSA-N -1 1 274.328 1.356 10 0 CDAEMM CCOC(=O)c1[n-]ccc(=O)c1OC(F)(F)F ZINC000575375079 364099201 /nfs/dbraw/zinc/09/92/01/364099201.db2.gz WKPZBBZGNXYYNZ-UHFFFAOYSA-N -1 1 251.160 1.450 10 0 CDAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCO[C@H]1C ZINC000129766623 364967172 /nfs/dbraw/zinc/96/71/72/364967172.db2.gz VATHHWGHKRXBKD-UWVGGRQHSA-N -1 1 293.367 1.283 10 0 CDAEMM O=C(NC[C@@H](O)Cc1ccccc1)c1ccc([O-])cc1F ZINC000181208977 365024280 /nfs/dbraw/zinc/02/42/80/365024280.db2.gz GAWLMDVKZYMZGI-ZDUSSCGKSA-N -1 1 289.306 1.865 10 0 CDAEMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279527484 367031334 /nfs/dbraw/zinc/03/13/34/367031334.db2.gz MPSRWROYEGIOER-CQSZACIVSA-N -1 1 294.738 1.398 10 0 CDAEMM COCC[C@@H](COC)NC(=O)c1c([O-])cccc1F ZINC000311777657 367142930 /nfs/dbraw/zinc/14/29/30/367142930.db2.gz HLOUAYOFGUMUDF-VIFPVBQESA-N -1 1 271.288 1.313 10 0 CDAEMM Cc1ccc2[nH]c(C(=O)NC3(c4nn[n-]n4)CC3)cc2c1 ZINC000516697519 367180960 /nfs/dbraw/zinc/18/09/60/367180960.db2.gz CGBCIIGUDRNXFQ-UHFFFAOYSA-N -1 1 282.307 1.409 10 0 CDAEMM Cc1nc2ccc(NC(=O)CCc3nn[n-]n3)cc2s1 ZINC000630437597 368962498 /nfs/dbraw/zinc/96/24/98/368962498.db2.gz FXZIQNYNQZPPEW-UHFFFAOYSA-N -1 1 288.336 1.689 10 0 CDAEMM O=C(NCC1CCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000073854039 369205031 /nfs/dbraw/zinc/20/50/31/369205031.db2.gz RVWOKIFQZGSXRI-UHFFFAOYSA-N -1 1 257.293 1.453 10 0 CDAEMM C[C@H]1c2ccsc2CCN1C(=O)CCc1nn[n-]n1 ZINC000630574204 369278159 /nfs/dbraw/zinc/27/81/59/369278159.db2.gz 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CDAEMM O=C(c1ccc([O-])cn1)N1CCCCC[C@H]1c1ncon1 ZINC001362308752 971140729 /nfs/dbraw/zinc/14/07/29/971140729.db2.gz IYWSHSJUZYBWMW-LBPRGKRZSA-N -1 1 288.307 1.928 10 0 CDAEMM CCN(CCOC)C(=O)c1cnc(SC)[n-]c1=O ZINC001362523186 971367964 /nfs/dbraw/zinc/36/79/64/971367964.db2.gz XQAVEBIOMQOICK-UHFFFAOYSA-N -1 1 271.342 1.013 10 0 CDAEMM CC(C)Cc1ncc(NC(=O)c2cnncc2O)cn1 ZINC001362604705 971449723 /nfs/dbraw/zinc/44/97/23/971449723.db2.gz HFCUIHFFEKDRMN-UHFFFAOYSA-N -1 1 273.296 1.423 10 0 CDAEMM CC(C)Cc1ncc(NC(=O)c2cnncc2[O-])cn1 ZINC001362604705 971449733 /nfs/dbraw/zinc/44/97/33/971449733.db2.gz HFCUIHFFEKDRMN-UHFFFAOYSA-N -1 1 273.296 1.423 10 0 CDAEMM CC[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])[C@H]1C ZINC001362671610 971515664 /nfs/dbraw/zinc/51/56/64/971515664.db2.gz NRHDMOTZOYSHAH-WDEREUQCSA-N -1 1 291.351 1.164 10 0 CDAEMM COC(=O)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cn1 ZINC001362697616 971538096 /nfs/dbraw/zinc/53/80/96/971538096.db2.gz QXPPNJIZDXNLFT-UHFFFAOYSA-N -1 1 290.250 1.965 10 0 CDAEMM Cc1nocc1C(=O)Nc1cc(C(=O)OC(C)C)[nH]n1 ZINC001362996733 971800830 /nfs/dbraw/zinc/80/08/30/971800830.db2.gz PUYDOKMFZNNITR-UHFFFAOYSA-N -1 1 278.268 1.524 10 0 CDAEMM CSc1ncc(C(=O)Nc2cnn(C)c2Cl)c(=O)[n-]1 ZINC001363046158 971841705 /nfs/dbraw/zinc/84/17/05/971841705.db2.gz DYIKJPFUHILMPP-UHFFFAOYSA-N -1 1 299.743 1.543 10 0 CDAEMM C[S@](=O)(=NC(=O)c1cnncc1[O-])c1ccc(F)cc1 ZINC001363572025 953472963 /nfs/dbraw/zinc/47/29/63/953472963.db2.gz AYUFRMSAEIUCIT-HXUWFJFHSA-N -1 1 295.295 1.618 10 0 CDAEMM Cc1cnc(C(=O)N(C)C[C@@H](O)c2cccnc2)c([O-])c1 ZINC001363675394 953635601 /nfs/dbraw/zinc/63/56/01/953635601.db2.gz YEDLYAAMPMVHIN-CYBMUJFWSA-N -1 1 287.319 1.296 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H]1Cc2ccc(F)cc21 ZINC001363821745 953861523 /nfs/dbraw/zinc/86/15/23/953861523.db2.gz OSHHUEUSMWAGET-NSHDSACASA-N -1 1 287.298 1.174 10 0 CDAEMM Cc1[nH]nc(C(=O)Nc2ccnn2[C@H]2CCCOC2)c1[O-] ZINC001363884533 953970262 /nfs/dbraw/zinc/97/02/62/953970262.db2.gz IIEBRPGVWCUPIJ-VIFPVBQESA-N -1 1 291.311 1.224 10 0 CDAEMM Cc1cnc(F)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001289105725 953970631 /nfs/dbraw/zinc/97/06/31/953970631.db2.gz AZNZBVDLZHZDOY-UHFFFAOYSA-N -1 1 289.192 1.918 10 0 CDAEMM C[C@@H](O)C[C@H](C)CNC(=O)c1ccc(F)c([O-])c1 ZINC001293841662 954419432 /nfs/dbraw/zinc/41/94/32/954419432.db2.gz UZAUMZDORPCJRH-DTWKUNHWSA-N -1 1 255.289 1.668 10 0 CDAEMM O=C(N[C@H]1CCN(C2CCC2)C1=O)c1ccc(F)c([O-])c1 ZINC001364391455 954547189 /nfs/dbraw/zinc/54/71/89/954547189.db2.gz FUODCNNKRNPZIM-LBPRGKRZSA-N -1 1 292.310 1.415 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CCCCCCNC(=O)CC1 ZINC001364413242 954581814 /nfs/dbraw/zinc/58/18/14/954581814.db2.gz AIVXJXUGOBEYNA-UHFFFAOYSA-N -1 1 291.351 1.310 10 0 CDAEMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1nnnn1C1CC1 ZINC001364496081 954689878 /nfs/dbraw/zinc/68/98/78/954689878.db2.gz BRGRCCSUSXXGSP-SSDOTTSWSA-N -1 1 291.286 1.344 10 0 CDAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C[C@H](C)n1cccn1 ZINC001363277190 972045330 /nfs/dbraw/zinc/04/53/30/972045330.db2.gz QLQAITIINHAKQE-NSHDSACASA-N -1 1 291.359 1.032 10 0 CDAEMM O=C(N[C@@H]([C@H](CO)C1CC1)C1CC1)c1ccc([O-])cn1 ZINC001363296371 972062124 /nfs/dbraw/zinc/06/21/24/972062124.db2.gz HHBZTIQVVCPPSJ-TZMCWYRMSA-N -1 1 276.336 1.314 10 0 CDAEMM Cn1cc(C(=O)Nc2cc([O-])c(F)cc2F)[nH]c1=O ZINC001298975657 955260659 /nfs/dbraw/zinc/26/06/59/955260659.db2.gz YOFIRYGVISAPNH-UHFFFAOYSA-N -1 1 269.207 1.362 10 0 CDAEMM COc1cc(C(=O)NCCc2c(F)cc([O-])cc2F)on1 ZINC001364950585 955407649 /nfs/dbraw/zinc/40/76/49/955407649.db2.gz SCFABXGPCRVAPI-UHFFFAOYSA-N -1 1 298.245 1.640 10 0 CDAEMM C[C@@H](F)CCN1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001364948293 955410044 /nfs/dbraw/zinc/41/00/44/955410044.db2.gz YROCIYSZSCTLGD-LLVKDONJSA-N -1 1 281.331 1.293 10 0 CDAEMM CS[C@H](C)CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001363355675 972109393 /nfs/dbraw/zinc/10/93/93/972109393.db2.gz LTQXSBAHPDQLDB-SECBINFHSA-N -1 1 271.390 1.326 10 0 CDAEMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cc(F)ccc2[O-])C1 ZINC001365209712 955729926 /nfs/dbraw/zinc/72/99/26/955729926.db2.gz CLVRZSHQTGUMCR-GJPGNPISSA-N -1 1 285.340 1.561 10 0 CDAEMM CC[C@@H](C)CC[C@H](O)CC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001363376300 972123877 /nfs/dbraw/zinc/12/38/77/972123877.db2.gz PVFVOEYLSOVTEO-MNOVXSKESA-N -1 1 295.387 1.272 10 0 CDAEMM CC1(C)CN(C(=O)c2ccc([O-])cn2)[C@H]1[C@@H]1CCCO1 ZINC001363382167 972127485 /nfs/dbraw/zinc/12/74/85/972127485.db2.gz YUTRGGOIZBJVJQ-STQMWFEESA-N -1 1 276.336 1.817 10 0 CDAEMM CCOC(=O)c1[n-]nnc1[C@H]1CCCN1C(=O)C1CCC1 ZINC001363396732 972136475 /nfs/dbraw/zinc/13/64/75/972136475.db2.gz HVLLGHQQRMEQGG-SNVBAGLBSA-N -1 1 292.339 1.445 10 0 CDAEMM CCOC(=O)c1nn[n-]c1[C@H]1CCCN1C(=O)C1CCC1 ZINC001363396732 972136479 /nfs/dbraw/zinc/13/64/79/972136479.db2.gz HVLLGHQQRMEQGG-SNVBAGLBSA-N -1 1 292.339 1.445 10 0 CDAEMM CCOC(=O)c1n[n-]nc1[C@H]1CCCN1C(=O)C1CCC1 ZINC001363396732 972136482 /nfs/dbraw/zinc/13/64/82/972136482.db2.gz HVLLGHQQRMEQGG-SNVBAGLBSA-N -1 1 292.339 1.445 10 0 CDAEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CC[C@@H]1C1CC1 ZINC001330647573 956540812 /nfs/dbraw/zinc/54/08/12/956540812.db2.gz KBLLKHHGOJWMIX-SNVBAGLBSA-N -1 1 274.349 1.643 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@H]1c1nc[nH]n1 ZINC001363487924 972200967 /nfs/dbraw/zinc/20/09/67/972200967.db2.gz NEPLSTRIIXWHDG-JTQLQIEISA-N -1 1 276.271 1.627 10 0 CDAEMM C[C@@H](NCc1n[nH]c(=O)[n-]1)[C@@H](C)NC(=O)CCCC1CC1 ZINC001424818344 957368465 /nfs/dbraw/zinc/36/84/65/957368465.db2.gz LNXJDPVXNWMPPS-NXEZZACHSA-N -1 1 295.387 1.073 10 0 CDAEMM O=C([O-])c1cc(CN2CC[C@@]3(C2)CCCOC3)[nH]n1 ZINC001332406098 957551049 /nfs/dbraw/zinc/55/10/49/957551049.db2.gz HTELALPPRFQNKT-CYBMUJFWSA-N -1 1 265.313 1.110 10 0 CDAEMM CSC[C@H](CCO)NC(=O)c1ccc(F)c([O-])c1 ZINC001433801808 960630596 /nfs/dbraw/zinc/63/05/96/960630596.db2.gz BINNFBDVXISHBG-VIFPVBQESA-N -1 1 273.329 1.375 10 0 CDAEMM CC[C@@](C)(CCO)NC(=O)c1cnc(SC)[n-]c1=O ZINC001433873127 960713670 /nfs/dbraw/zinc/71/36/70/960713670.db2.gz BVISCGWEZAREOJ-LBPRGKRZSA-N -1 1 285.369 1.185 10 0 CDAEMM CSc1cccc(F)c1CNC(=O)c1cnncc1[O-] ZINC001433970873 960829446 /nfs/dbraw/zinc/82/94/46/960829446.db2.gz RBNWZXCJEPOYNV-UHFFFAOYSA-N -1 1 293.323 1.973 10 0 CDAEMM CC(C)c1nnc(CNC(=O)c2cccc([O-])c2F)[nH]1 ZINC001434012933 960877984 /nfs/dbraw/zinc/87/79/84/960877984.db2.gz RUXKQPIUVNHFNT-UHFFFAOYSA-N -1 1 278.287 1.703 10 0 CDAEMM CC1(C)C[C@@H](NC(=O)c2cccc([O-])c2F)C(=O)O1 ZINC001545895121 962128645 /nfs/dbraw/zinc/12/86/45/962128645.db2.gz OGWFBOVUZSBDJT-MRVPVSSYSA-N -1 1 267.256 1.355 10 0 CDAEMM COc1nn(C)cc1CNC(=O)c1c(F)ccc([O-])c1F ZINC001420523850 963005670 /nfs/dbraw/zinc/00/56/70/963005670.db2.gz WNUBAIJKJHWJOI-UHFFFAOYSA-N -1 1 297.261 1.343 10 0 CDAEMM CC[C@]1(NC(=O)C(=O)c2ccc([O-])cc2)CCOC1 ZINC001556492579 965050158 /nfs/dbraw/zinc/05/01/58/965050158.db2.gz IJBFDCGRTWGWFP-AWEZNQCLSA-N -1 1 263.293 1.260 10 0 CDAEMM COC(=O)CCCCNC(=O)c1ccc(F)c([O-])c1 ZINC001442562017 965117237 /nfs/dbraw/zinc/11/72/37/965117237.db2.gz NYMJFBCDYAXJAX-UHFFFAOYSA-N -1 1 269.272 1.604 10 0 CDAEMM Cc1cnc(C(=O)NC[C@@H](C)c2ncon2)c([O-])c1 ZINC001558502986 965296221 /nfs/dbraw/zinc/29/62/21/965296221.db2.gz FZQOTXGILCZKCI-MRVPVSSYSA-N -1 1 262.269 1.012 10 0 CDAEMM Cc1cc(C)n2ccc(C(=O)Nc3ccncc3[O-])c2n1 ZINC001558928836 965377914 /nfs/dbraw/zinc/37/79/14/965377914.db2.gz UUDWLFPJPXPRPA-UHFFFAOYSA-N -1 1 282.303 1.726 10 0 CDAEMM COC[C@H](CNC(=O)c1c(C)[nH]c(=O)[n-]c1=S)C(C)C ZINC001347890883 965739716 /nfs/dbraw/zinc/73/97/16/965739716.db2.gz CJGOGJTXXNHONR-VIFPVBQESA-N -1 1 299.396 1.428 10 0 CDAEMM Cc1cc(CN[C@H](C(=O)[O-])[C@H]2CCCO2)cs1 ZINC001348503611 966028583 /nfs/dbraw/zinc/02/85/83/966028583.db2.gz UYHAHKONRQBODG-MNOVXSKESA-N -1 1 255.339 1.778 10 0 CDAEMM CCNC(=O)N1CC[C@H](NC(=O)c2cccc([O-])c2F)C1 ZINC001445512245 966219089 /nfs/dbraw/zinc/21/90/89/966219089.db2.gz XBLFESNFETXRQK-VIFPVBQESA-N -1 1 295.314 1.065 10 0 CDAEMM O=C([C@H]1CC=CCC1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001350429896 966662945 /nfs/dbraw/zinc/66/29/45/966662945.db2.gz XSGGTSCVBZWKQE-RYUDHWBXSA-N -1 1 275.356 1.337 10 0 CDAEMM CC(C)(C)CC[C@H](NC(=O)c1cncc([O-])c1)C(N)=O ZINC001448532818 967141969 /nfs/dbraw/zinc/14/19/69/967141969.db2.gz TVMKQENLYRZRPS-NSHDSACASA-N -1 1 279.340 1.197 10 0 CDAEMM O=C(NCCCN1CCCC1=O)c1ccc(F)c([O-])c1 ZINC001540575142 967149424 /nfs/dbraw/zinc/14/94/24/967149424.db2.gz KCYJMRSDZGOEII-UHFFFAOYSA-N -1 1 280.299 1.274 10 0 CDAEMM COc1cccnc1[N-]C(=O)c1nnc(-c2ccco2)o1 ZINC001542445313 967228535 /nfs/dbraw/zinc/22/85/35/967228535.db2.gz BLMPVFGKMZXAIA-UHFFFAOYSA-N -1 1 286.247 1.986 10 0 CDAEMM COC[C@@H]1CCCN(C(=O)c2ccc([O-])cn2)C1 ZINC001543384099 967293441 /nfs/dbraw/zinc/29/34/41/967293441.db2.gz RIPNDRUDPJEFPR-SNVBAGLBSA-N -1 1 250.298 1.286 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N(CCO)CC(F)F ZINC001448899142 967299384 /nfs/dbraw/zinc/29/93/84/967299384.db2.gz ALYKXHLNMQQBRO-UHFFFAOYSA-N -1 1 263.215 1.231 10 0 CDAEMM CC/C=C(/F)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001352792911 967486918 /nfs/dbraw/zinc/48/69/18/967486918.db2.gz DGTFSLXQFFYWPQ-BZFUBLJMSA-N -1 1 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CCc1cc(=O)[n-]c(SC[C@@H](OC)[C@H]2CCOC2)n1 ZINC000657257630 414072077 /nfs/dbraw/zinc/07/20/77/414072077.db2.gz XMEANAVBLNYFCM-GXSJLCMTSA-N -1 1 284.381 1.888 10 0 CDAEMM CCC1CCN(S(=O)(=O)[N-]c2nn(C)cc2C)CC1 ZINC000663265024 414094668 /nfs/dbraw/zinc/09/46/68/414094668.db2.gz PYTKRZANUMCWJO-UHFFFAOYSA-N -1 1 286.401 1.507 10 0 CDAEMM Cc1cc(=O)[nH]c([C@H](C)N2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000661705251 414298350 /nfs/dbraw/zinc/29/83/50/414298350.db2.gz UILMWLGZVCQAFK-MISXGVKJSA-N -1 1 263.341 1.520 10 0 CDAEMM COc1ccc(Br)cc1[C@@H](N)c1nnn[n-]1 ZINC000040397027 174253468 /nfs/dbraw/zinc/25/34/68/174253468.db2.gz RVIONEYYUCQNAV-MRVPVSSYSA-N -1 1 284.117 1.019 10 0 CDAEMM COc1ccc(Br)cc1[C@@H](N)c1nn[n-]n1 ZINC000040397027 174253469 /nfs/dbraw/zinc/25/34/69/174253469.db2.gz RVIONEYYUCQNAV-MRVPVSSYSA-N -1 1 284.117 1.019 10 0 CDAEMM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1Cc2ccccc2CN1 ZINC000040472205 174280724 /nfs/dbraw/zinc/28/07/24/174280724.db2.gz ZOONFSPOCIFEGF-KBPBESRZSA-N -1 1 288.347 1.167 10 0 CDAEMM O=C([O-])C1(NC(=O)[C@H]2Cc3ccccc3CN2)CCCC1 ZINC000040481284 174285433 /nfs/dbraw/zinc/28/54/33/174285433.db2.gz DJGNUTMZPXQJLQ-CYBMUJFWSA-N -1 1 288.347 1.215 10 0 CDAEMM CC[C@H](C)N(CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000040564797 174336765 /nfs/dbraw/zinc/33/67/65/174336765.db2.gz UQVSNGFKPPWUKN-ONGXEEELSA-N -1 1 282.344 1.235 10 0 CDAEMM CCC(CC)N(C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000040580845 174344416 /nfs/dbraw/zinc/34/44/16/174344416.db2.gz XAZVJLUXQRVVLV-NSHDSACASA-N -1 1 282.344 1.235 10 0 CDAEMM CCCC[C@@H](NC(=O)[C@H]1NCCc2ccccc21)C(=O)[O-] ZINC000043595697 175075936 /nfs/dbraw/zinc/07/59/36/175075936.db2.gz UXRODLAGCUNKDW-KGLIPLIRSA-N -1 1 290.363 1.633 10 0 CDAEMM C[C@H](NC(=O)c1cccc(-n2cccc2)c1)c1nn[n-]n1 ZINC000044887292 175270300 /nfs/dbraw/zinc/27/03/00/175270300.db2.gz TZCREULCCWJVKR-JTQLQIEISA-N -1 1 282.307 1.481 10 0 CDAEMM CCn1nc(C(C)C)cc1C(=O)N[C@@H](C)c1nn[n-]n1 ZINC000044885910 175270691 /nfs/dbraw/zinc/27/06/91/175270691.db2.gz RNLKWGIQAFDCEB-QMMMGPOBSA-N -1 1 277.332 1.031 10 0 CDAEMM Clc1cccc(Cl)c1CNCc1nn[n-]n1 ZINC000044928034 175277981 /nfs/dbraw/zinc/27/79/81/175277981.db2.gz AAPMBVFLURZPTD-UHFFFAOYSA-N -1 1 258.112 1.796 10 0 CDAEMM FC(F)(F)c1ccc(CNCc2nnn[n-]2)cc1 ZINC000044927813 175278070 /nfs/dbraw/zinc/27/80/70/175278070.db2.gz VFJKGAGJLDFHLE-UHFFFAOYSA-N -1 1 257.219 1.508 10 0 CDAEMM FC(F)(F)c1ccc(CNCc2nn[n-]n2)cc1 ZINC000044927813 175278072 /nfs/dbraw/zinc/27/80/72/175278072.db2.gz VFJKGAGJLDFHLE-UHFFFAOYSA-N -1 1 257.219 1.508 10 0 CDAEMM Oc1ccc([C@@H](NCc2nn[n-]n2)c2ccccc2)cc1 ZINC000044927849 175278299 /nfs/dbraw/zinc/27/82/99/175278299.db2.gz RPZMLDMFNSLRAJ-HNNXBMFYSA-N -1 1 281.319 1.785 10 0 CDAEMM CCCN[C@@H](C)c1csc([N-]S(C)(=O)=O)n1 ZINC000070885358 176010173 /nfs/dbraw/zinc/01/01/73/176010173.db2.gz CHPVFLSFYLTOQL-ZETCQYMHSA-N -1 1 263.388 1.575 10 0 CDAEMM O=c1cc[nH]cc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000071221829 176087468 /nfs/dbraw/zinc/08/74/68/176087468.db2.gz LYNZOJKLDJNXOV-UHFFFAOYSA-N -1 1 270.354 1.234 10 0 CDAEMM Cc1[nH]ncc1C(=O)N(C)c1ccccc1C(=O)[O-] ZINC000080039755 177600024 /nfs/dbraw/zinc/60/00/24/177600024.db2.gz FMBWAAXWWFQNHX-UHFFFAOYSA-N -1 1 259.265 1.693 10 0 CDAEMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)c1cncc([O-])c1 ZINC000529982431 271085797 /nfs/dbraw/zinc/08/57/97/271085797.db2.gz REGAPGSJLBWAAM-UOKLYIGXSA-N -1 1 250.298 1.329 10 0 CDAEMM CCC[C@@H](NC(=O)Cc1cccc(CC)c1)c1nn[n-]n1 ZINC000119625282 279368060 /nfs/dbraw/zinc/36/80/60/279368060.db2.gz SXCVMGHJNFQOKH-CYBMUJFWSA-N -1 1 287.367 1.962 10 0 CDAEMM O=C(C(=O)N1CCOC[C@H]1CC(F)F)c1ccc([O-])cc1 ZINC000286740507 279731540 /nfs/dbraw/zinc/73/15/40/279731540.db2.gz NMDADQBYJQULCF-SNVBAGLBSA-N -1 1 299.273 1.458 10 0 CDAEMM C[C@H](CCNC(=O)c1ccc([O-])cc1F)[S@](C)=O ZINC000226271005 280099684 /nfs/dbraw/zinc/09/96/84/280099684.db2.gz MLSBIYWEJIMLJK-CVJBHZAOSA-N -1 1 273.329 1.418 10 0 CDAEMM Cn1[n-]c(CSc2nc3ccccc3n2C)nc1=O ZINC000541852409 289515604 /nfs/dbraw/zinc/51/56/04/289515604.db2.gz YMCPLDRYILREAZ-UHFFFAOYSA-N -1 1 275.337 1.287 10 0 CDAEMM Cc1ccnc2ccc(C(=O)NC3(c4nn[n-]n4)CC3)cc12 ZINC000552491808 290073044 /nfs/dbraw/zinc/07/30/44/290073044.db2.gz ZZGNCFPAHPIMNO-UHFFFAOYSA-N -1 1 294.318 1.475 10 0 CDAEMM O=C(c1cncc([O-])c1)N1CC[C@H](OC(F)F)C1 ZINC000555348299 290215620 /nfs/dbraw/zinc/21/56/20/290215620.db2.gz LQSOGRMIGBOQCW-VIFPVBQESA-N -1 1 258.224 1.241 10 0 CDAEMM C[C@]1(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C[C@H]2C[C@H]2C1 ZINC000560332264 293020751 /nfs/dbraw/zinc/02/07/51/293020751.db2.gz XXRGASXSDIPYSM-PUHVVEEASA-N -1 1 275.356 1.342 10 0 CDAEMM C[C@@H](CN(C)C(=O)CC1(C(F)(F)F)CC1)c1nn[n-]n1 ZINC000564394661 293351651 /nfs/dbraw/zinc/35/16/51/293351651.db2.gz BGQPZMPBBDLXJG-ZETCQYMHSA-N -1 1 291.277 1.494 10 0 CDAEMM O=S(=O)(Cc1ccon1)c1nc(-c2ccccc2)n[n-]1 ZINC000564527621 293367354 /nfs/dbraw/zinc/36/73/54/293367354.db2.gz PBTWPBFDUIBGCJ-UHFFFAOYSA-N -1 1 290.304 1.434 10 0 CDAEMM O=S(=O)(Cc1ccon1)c1n[n-]c(-c2ccccc2)n1 ZINC000564527621 293367357 /nfs/dbraw/zinc/36/73/57/293367357.db2.gz PBTWPBFDUIBGCJ-UHFFFAOYSA-N -1 1 290.304 1.434 10 0 CDAEMM CCc1nc(SCc2cnnn2CC)[n-]c(=O)c1C ZINC000568271610 294006054 /nfs/dbraw/zinc/00/60/54/294006054.db2.gz GORPJLDPUXFVLD-UHFFFAOYSA-N -1 1 279.369 1.957 10 0 CDAEMM Cc1cc(C)c(C(=O)[O-])c(N2CCO[C@@H](C)C2)n1 ZINC000037979589 301172625 /nfs/dbraw/zinc/17/26/25/301172625.db2.gz UZUNABFFSJCNSW-JTQLQIEISA-N -1 1 250.298 1.622 10 0 CDAEMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)ccn1 ZINC000576695906 317188588 /nfs/dbraw/zinc/18/85/88/317188588.db2.gz LBFGTCYPSOTSNS-UHFFFAOYSA-N -1 1 272.312 1.102 10 0 CDAEMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000580147211 324378286 /nfs/dbraw/zinc/37/82/86/324378286.db2.gz MHCDJJQIARYDJK-MBTKJCJQSA-N -1 1 279.365 1.741 10 0 CDAEMM Cc1cnc(C(=O)N2CC[C@@H](OC(C)C)C2)c([O-])c1 ZINC000583144942 325115995 /nfs/dbraw/zinc/11/59/95/325115995.db2.gz SIQCZGYICVCDCR-LLVKDONJSA-N -1 1 264.325 1.735 10 0 CDAEMM CCCc1cc([N-]S(=O)(=O)c2cscn2)n[nH]1 ZINC000583693277 325223709 /nfs/dbraw/zinc/22/37/09/325223709.db2.gz INUNCODYIKEPOK-UHFFFAOYSA-N -1 1 272.355 1.620 10 0 CDAEMM COc1cccc(/C=C/c2cc(=O)n3[n-]cnc3n2)c1F ZINC000672775562 482606044 /nfs/dbraw/zinc/60/60/44/482606044.db2.gz DCVDCPYHMLTYHH-AATRIKPKSA-N -1 1 286.266 1.736 10 0 CDAEMM CN(C[C@H]1CCCO1)C(=O)c1ccc([O-])c(F)c1 ZINC000681038396 482665925 /nfs/dbraw/zinc/66/59/25/482665925.db2.gz DKWZZQWGRUVPBV-SNVBAGLBSA-N -1 1 253.273 1.782 10 0 CDAEMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC000681048821 482671107 /nfs/dbraw/zinc/67/11/07/482671107.db2.gz POIBUXPYMNHRDI-WCBMZHEXSA-N -1 1 280.299 1.305 10 0 CDAEMM O=C(NCc1noc(C2CC2)n1)c1ccc([O-])c(F)c1 ZINC000681063474 482679650 /nfs/dbraw/zinc/67/96/50/482679650.db2.gz ZWOTWDHAMNESKG-UHFFFAOYSA-N -1 1 277.255 1.722 10 0 CDAEMM CN(Cc1ccc(Cl)cc1)C(=O)CCc1nn[n-]n1 ZINC000095294694 482821997 /nfs/dbraw/zinc/82/19/97/482821997.db2.gz ZUHBQJLEGZXTDH-UHFFFAOYSA-N -1 1 279.731 1.444 10 0 CDAEMM CC[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1F ZINC000653791472 482903910 /nfs/dbraw/zinc/90/39/10/482903910.db2.gz WJLRVZNKLJULNW-LLVKDONJSA-N -1 1 264.304 1.488 10 0 CDAEMM O=C(NCC[C@H]1CCCO1)c1c(F)ccc([O-])c1F ZINC000685419407 483122108 /nfs/dbraw/zinc/12/21/08/483122108.db2.gz SSYKSRGZNMPQAE-MRVPVSSYSA-N -1 1 271.263 1.969 10 0 CDAEMM C[C@H]1CCCN(C(=O)C(=O)Nc2c([O-])cccc2F)C1 ZINC000681204818 483229237 /nfs/dbraw/zinc/22/92/37/483229237.db2.gz JQMZWVUMRWBHAF-VIFPVBQESA-N -1 1 280.299 1.728 10 0 CDAEMM O=C(N[C@H]1CCC[C@H](O)C1)c1c([O-])cccc1F ZINC000681240820 483243460 /nfs/dbraw/zinc/24/34/60/483243460.db2.gz BMPGGDRXPHMIRG-IUCAKERBSA-N -1 1 253.273 1.565 10 0 CDAEMM CCOC(=O)C1(CN=c2nc([C@H](C)OC)[n-]s2)CC1 ZINC000337852679 520459887 /nfs/dbraw/zinc/45/98/87/520459887.db2.gz GFRDFCNDJZYHSA-QMMMGPOBSA-N -1 1 285.369 1.423 10 0 CDAEMM CCC[C@H]1CC[C@@H](C(=O)[O-])[C@H](N2CCS(=O)CC2)C1 ZINC000062754262 521211562 /nfs/dbraw/zinc/21/15/62/521211562.db2.gz IHUPXGSCLAAMMX-YNEHKIRRSA-N -1 1 287.425 1.720 10 0 CDAEMM CC(C)(CCC(=O)[O-])NC(=O)[C@@](C)(N)c1ccccc1 ZINC000052883110 519205423 /nfs/dbraw/zinc/20/54/23/519205423.db2.gz WWHAVQHOJJNFKD-HNNXBMFYSA-N -1 1 278.352 1.620 10 0 CDAEMM CC(=O)Nc1nc(CN[C@H](C(=O)[O-])C2CC2)cs1 ZINC000054523243 519752901 /nfs/dbraw/zinc/75/29/01/519752901.db2.gz URRWKHQKIZTCNJ-VIFPVBQESA-N -1 1 269.326 1.054 10 0 CDAEMM CCOC(=O)C1(CN=c2[n-]c([C@H](C)OC)ns2)CC1 ZINC000337852679 520459876 /nfs/dbraw/zinc/45/98/76/520459876.db2.gz GFRDFCNDJZYHSA-QMMMGPOBSA-N -1 1 285.369 1.423 10 0 CDAEMM CCN(Cc1nccn1C(F)F)C[C@H](C)C(=O)[O-] ZINC000061219056 521461761 /nfs/dbraw/zinc/46/17/61/521461761.db2.gz KFZGJEBLWJDMHM-QMMMGPOBSA-N -1 1 261.272 1.821 10 0 CDAEMM CCc1n[n-]c(=S)n1[C@H](C)CN1CCOCC1 ZINC000049509871 522131334 /nfs/dbraw/zinc/13/13/34/522131334.db2.gz OYQRPRLKHQLMSN-SECBINFHSA-N -1 1 256.375 1.396 10 0 CDAEMM CN(C(=O)c1c[nH]c2ccccc2c1=O)C(C)(C)C(=O)[O-] ZINC000061150623 523916463 /nfs/dbraw/zinc/91/64/63/523916463.db2.gz ICVUZPXRJMKLOX-UHFFFAOYSA-N -1 1 288.303 1.463 10 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ZINC000080197689 177624884 /nfs/dbraw/zinc/62/48/84/177624884.db2.gz IYVCFSZNHYLBNV-GFCCVEGCSA-N -1 1 266.322 1.799 10 0 CDAEMM CCCc1nsc(N=C([O-])[C@@H](C)C(=O)OC(C)(C)C)n1 ZINC000413336201 390994808 /nfs/dbraw/zinc/99/48/08/390994808.db2.gz QLDOUQDRNYNLAS-MRVPVSSYSA-N -1 1 299.396 1.829 10 0 CDAEMM CCOc1cc(C(=O)N(C)CCCO)cc(Cl)c1[O-] ZINC000282043257 391456514 /nfs/dbraw/zinc/45/65/14/391456514.db2.gz WDDJAUKQXWQCKZ-UHFFFAOYSA-N -1 1 287.743 1.899 10 0 CDAEMM CO[C@H](C)c1nc(=N[C@H]2CCN(CC(F)F)C2)s[n-]1 ZINC000419027477 391688583 /nfs/dbraw/zinc/68/85/83/391688583.db2.gz VWJZZFJQQHWMAQ-SFYZADRCSA-N -1 1 292.355 1.419 10 0 CDAEMM CCOc1ccccc1CN[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000417594601 391690138 /nfs/dbraw/zinc/69/01/38/391690138.db2.gz JFDYYBMCOVOQHL-AWEZNQCLSA-N -1 1 289.335 1.734 10 0 CDAEMM C[C@H](NC(=O)c1cnn[nH]1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000438393873 391921898 /nfs/dbraw/zinc/92/18/98/391921898.db2.gz PEAPBSSVNYTDNS-RVBZMBCESA-N -1 1 272.308 1.488 10 0 CDAEMM O=C(CCSc1ccccc1)NC1(c2nn[n-]n2)CC1 ZINC000430323325 391926729 /nfs/dbraw/zinc/92/67/29/391926729.db2.gz SRSUSGPJBRDRCM-UHFFFAOYSA-N -1 1 289.364 1.487 10 0 CDAEMM O=C(NCc1cscn1)C(=O)c1ccc([O-])cc1 ZINC000438921954 391981585 /nfs/dbraw/zinc/98/15/85/391981585.db2.gz XMCPMOZINUQQQI-UHFFFAOYSA-N -1 1 262.290 1.348 10 0 CDAEMM O=C(Nc1ccncc1[O-])c1cccc(C(=O)NC2CC2)c1 ZINC000439731308 392118849 /nfs/dbraw/zinc/11/88/49/392118849.db2.gz MVUXMMFVKBIVLK-UHFFFAOYSA-N -1 1 297.314 1.354 10 0 CDAEMM CC(C)[C@H]1CN(C)CCN1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646175142 392126163 /nfs/dbraw/zinc/12/61/63/392126163.db2.gz BNLJPRVCZZKFQQ-YNEHKIRRSA-N -1 1 297.399 1.221 10 0 CDAEMM CCCc1cc([N-]S(=O)(=O)c2ccc(OC)nc2)[nH]n1 ZINC000442602987 392270342 /nfs/dbraw/zinc/27/03/42/392270342.db2.gz JMHQJVCYYIMPBU-UHFFFAOYSA-N -1 1 296.352 1.567 10 0 CDAEMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](C)C1CCOCC1 ZINC000646409612 392419249 /nfs/dbraw/zinc/41/92/49/392419249.db2.gz ODFATSWZORLBLG-ZETCQYMHSA-N -1 1 253.302 1.425 10 0 CDAEMM CCn1ncc(CNC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000529584498 392505503 /nfs/dbraw/zinc/50/55/03/392505503.db2.gz UTENPJULNOVLLL-UHFFFAOYSA-N -1 1 282.250 1.212 10 0 CDAEMM Cc1nc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)sc1C ZINC000574350552 392577815 /nfs/dbraw/zinc/57/78/15/392577815.db2.gz SZWGCDVEPCSWMV-VHSXEESVSA-N -1 1 272.395 1.837 10 0 CDAEMM CC[C@H]([N-]S(=O)(=O)[C@H]1CCO[C@H](C)C1)C(F)F ZINC000451624868 397609483 /nfs/dbraw/zinc/60/94/83/397609483.db2.gz BOCIGCDWFXGMNW-VGMNWLOBSA-N -1 1 271.329 1.517 10 0 CDAEMM CC(C)N1CCC[C@@H](N(CC(=O)[O-])CC2CC2)C1=O ZINC000650510705 398024484 /nfs/dbraw/zinc/02/44/84/398024484.db2.gz MYGPZWOMWCPQMQ-GFCCVEGCSA-N -1 1 268.357 1.182 10 0 CDAEMM C/C=C/c1ccc(OCC(=O)Nc2nnn[n-]2)c(OC)c1 ZINC000102894791 147161268 /nfs/dbraw/zinc/16/12/68/147161268.db2.gz BHHWRGCTUPZLDI-ONEGZZNKSA-N -1 1 289.295 1.259 10 0 CDAEMM C/C=C/c1ccc(OCC(=O)Nc2nn[n-]n2)c(OC)c1 ZINC000102894791 147161273 /nfs/dbraw/zinc/16/12/73/147161273.db2.gz BHHWRGCTUPZLDI-ONEGZZNKSA-N -1 1 289.295 1.259 10 0 CDAEMM CCc1oc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1C ZINC000183431200 148301204 /nfs/dbraw/zinc/30/12/04/148301204.db2.gz MFDRPBGXLZNFKQ-VIFPVBQESA-N -1 1 277.328 1.539 10 0 CDAEMM Cc1cnc(C(=O)NC[C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000334039016 149304832 /nfs/dbraw/zinc/30/48/32/149304832.db2.gz UWXIOTWDIMITQN-WCBMZHEXSA-N -1 1 252.314 1.232 10 0 CDAEMM CCc1ccc(O)c(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000335009182 150180211 /nfs/dbraw/zinc/18/02/11/150180211.db2.gz IJNFHHFMCLIGPW-OAHLLOKOSA-N -1 1 280.343 1.728 10 0 CDAEMM CC[C@@H]1[C@@H](CO)CCN1C(=O)c1ccc([O-])cc1F ZINC000335900493 151095799 /nfs/dbraw/zinc/09/57/99/151095799.db2.gz WAGSOWWQDARBJP-NOZJJQNGSA-N -1 1 267.300 1.764 10 0 CDAEMM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2nc(=O)n(C)[n-]2)o1 ZINC000335827937 292276893 /nfs/dbraw/zinc/27/68/93/292276893.db2.gz YOTXFGMUZAIODV-CMPLNLGQSA-N -1 1 290.367 1.983 10 0 CDAEMM Cc1cnc(C(=O)N(C)Cc2cccnc2)c([O-])c1 ZINC000358733488 158006932 /nfs/dbraw/zinc/00/69/32/158006932.db2.gz MQXSXYYBUDEEGQ-UHFFFAOYSA-N -1 1 257.293 1.763 10 0 CDAEMM COC[C@@](C)([N-]S(=O)(=O)c1cccnc1)C(F)(F)F ZINC000358808288 158036322 /nfs/dbraw/zinc/03/63/22/158036322.db2.gz ZTVSBTSAOOCUIR-SECBINFHSA-N -1 1 298.286 1.327 10 0 CDAEMM CCC[C@H](NC(=O)C1(CCF)CC1)c1nn[n-]n1 ZINC000362948226 159274510 /nfs/dbraw/zinc/27/45/10/159274510.db2.gz GKWQDBPHQIRCPT-QMMMGPOBSA-N -1 1 255.297 1.297 10 0 CDAEMM O=c1[n-]c(=O)c(Br)c(NCc2ccccc2)[nH]1 ZINC000001750732 169754320 /nfs/dbraw/zinc/75/43/20/169754320.db2.gz SLPLXDQXLWOWDS-UHFFFAOYSA-N -1 1 296.124 1.438 10 0 in-vivo CDAEMM Cn1ccnc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656764443 413624839 /nfs/dbraw/zinc/62/48/39/413624839.db2.gz KJDGVOFPXPLNOF-FRRDWIJNSA-N -1 1 277.368 1.885 10 0 CDAEMM Cn1ccc(S(=O)(=O)[N-]c2ccc(F)c(N)c2)c1 ZINC000036295798 172589658 /nfs/dbraw/zinc/58/96/58/172589658.db2.gz LAAOWDDYFNXYAX-UHFFFAOYSA-N -1 1 269.301 1.547 10 0 CDAEMM O=C(C[C@@H]1OCc2cc(Cl)ccc21)Nc1nnn[n-]1 ZINC000654810356 413728955 /nfs/dbraw/zinc/72/89/55/413728955.db2.gz KXMPETZBWBONOG-VIFPVBQESA-N -1 1 279.687 1.453 10 0 CDAEMM O=C(C[C@@H]1OCc2cc(Cl)ccc21)Nc1nn[n-]n1 ZINC000654810356 413728965 /nfs/dbraw/zinc/72/89/65/413728965.db2.gz KXMPETZBWBONOG-VIFPVBQESA-N -1 1 279.687 1.453 10 0 CDAEMM CCC[C@H](N[C@H](C)C(=O)NCc1ccco1)C(=O)[O-] ZINC000036839990 172745212 /nfs/dbraw/zinc/74/52/12/172745212.db2.gz UEGXDFFJZWYPAA-KOLCDFICSA-N -1 1 268.313 1.127 10 0 CDAEMM CC[C@](C)([N-]S(=O)(=O)c1c(C)onc1N)C1CC1 ZINC000657178141 414016570 /nfs/dbraw/zinc/01/65/70/414016570.db2.gz MKDMEVGKWRAGFT-NSHDSACASA-N -1 1 273.358 1.422 10 0 CDAEMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663145577 413997082 /nfs/dbraw/zinc/99/70/82/413997082.db2.gz UZQIVYWPMQIARJ-UHFFFAOYSA-N -1 1 291.311 1.375 10 0 CDAEMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(N)=S ZINC000040352077 174245079 /nfs/dbraw/zinc/24/50/79/174245079.db2.gz NQZLMIPPKPFLGZ-RXMQYKEDSA-N -1 1 258.730 1.450 10 0 CDAEMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])C(N)=S ZINC000040353488 174245225 /nfs/dbraw/zinc/24/52/25/174245225.db2.gz VXTRDFJRUQJPNB-MRVPVSSYSA-N -1 1 272.757 1.840 10 0 CDAEMM C[C@H]1CCC[C@H](NC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000040571890 174338775 /nfs/dbraw/zinc/33/87/75/174338775.db2.gz CFGGTKZZUHMHAJ-NHCYSSNCSA-N -1 1 294.355 1.283 10 0 CDAEMM CC[C@@H]1CCCCN1C(=O)CN[C@H](CC(C)C)C(=O)[O-] ZINC000043443255 175047162 /nfs/dbraw/zinc/04/71/62/175047162.db2.gz BAZDLXFVDUWPQU-CHWSQXEVSA-N -1 1 284.400 1.866 10 0 CDAEMM CCC(CC)NC(=O)[C@@H](C)N[C@@H](CC(C)C)C(=O)[O-] ZINC000043443639 175047279 /nfs/dbraw/zinc/04/72/79/175047279.db2.gz IEBWYNFILPVJEZ-PWSUYJOCSA-N -1 1 272.389 1.769 10 0 CDAEMM O=C([O-])CN(CC1CC1)C(=O)[C@H]1NCCc2ccccc21 ZINC000043595716 175076808 /nfs/dbraw/zinc/07/68/08/175076808.db2.gz LXFHZVNKDOUTPX-HNNXBMFYSA-N -1 1 288.347 1.197 10 0 CDAEMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1Cc2ccccc2CN1 ZINC000044624920 175221315 /nfs/dbraw/zinc/22/13/15/175221315.db2.gz IUPSLSHAAWHPJE-CHWSQXEVSA-N -1 1 276.336 1.023 10 0 CDAEMM C[C@@H](NC(=O)CSc1ccccc1)c1nn[n-]n1 ZINC000044886998 175270596 /nfs/dbraw/zinc/27/05/96/175270596.db2.gz UARXUCDZOGWGNV-MRVPVSSYSA-N -1 1 263.326 1.169 10 0 CDAEMM COc1ccc(OC)c([C@H](C)NCc2nn[n-]n2)c1 ZINC000044927654 175277962 /nfs/dbraw/zinc/27/79/62/175277962.db2.gz GTTMNLZAHYNOLG-QMMMGPOBSA-N -1 1 263.301 1.068 10 0 CDAEMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]ccc1=O ZINC000071221560 176087101 /nfs/dbraw/zinc/08/71/01/176087101.db2.gz IJNBHNMLFYPBDE-VHSXEESVSA-N -1 1 270.354 1.232 10 0 CDAEMM NC(=S)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000079803762 177561111 /nfs/dbraw/zinc/56/11/11/177561111.db2.gz QTJPOKXQTHYYRT-VIFPVBQESA-N -1 1 284.768 1.936 10 0 CDAEMM CC[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])[C@@H](C)CO1 ZINC000652771885 424127659 /nfs/dbraw/zinc/12/76/59/424127659.db2.gz GVJZIFSQXOUCEH-WDEREUQCSA-N -1 1 264.325 1.735 10 0 CDAEMM O=C(c1ncccc1[O-])N1CC[C@@]2(CC2(F)F)C1 ZINC000653004240 424097863 /nfs/dbraw/zinc/09/78/63/424097863.db2.gz MZACDABAWDAZNR-LLVKDONJSA-N -1 1 254.236 1.659 10 0 CDAEMM CN(C)c1ccncc1C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663154360 424662159 /nfs/dbraw/zinc/66/21/59/424662159.db2.gz UZLPORZHNATZBK-NSHDSACASA-N -1 1 291.351 1.378 10 0 CDAEMM CCOC[C@@H](O)CN1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000530169601 271127639 /nfs/dbraw/zinc/12/76/39/271127639.db2.gz SMQIXPGZDADQSO-JTQLQIEISA-N -1 1 297.326 1.279 10 0 CDAEMM Cc1nc(C)c(C(=O)N=c2nc(C3(C)CC3)[n-]s2)[nH]1 ZINC000530268420 271189964 /nfs/dbraw/zinc/18/99/64/271189964.db2.gz YLOXYAVSZQABOV-UHFFFAOYSA-N -1 1 277.353 1.604 10 0 CDAEMM COCCN(C(=O)c1ccc([O-])cc1F)C1CC1 ZINC000226115976 280099298 /nfs/dbraw/zinc/09/92/98/280099298.db2.gz VNABHUAIBVSKNS-UHFFFAOYSA-N -1 1 253.273 1.782 10 0 CDAEMM C[C@@H](CCNC(=O)c1ccc([O-])cc1F)[S@](C)=O ZINC000226270998 280099651 /nfs/dbraw/zinc/09/96/51/280099651.db2.gz MLSBIYWEJIMLJK-ASCAZGACSA-N -1 1 273.329 1.418 10 0 CDAEMM O=C(NCC[C@H]1CCOC1)c1c([O-])cccc1F ZINC000228867050 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Cn1ncc(C2CC2)c1CNC(=O)c1ccc([O-])cn1 ZINC001364045110 954157919 /nfs/dbraw/zinc/15/79/19/954157919.db2.gz NHZMGGLDTOHDBR-UHFFFAOYSA-N -1 1 272.308 1.328 10 0 CDAEMM COC[C@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001293766310 954410862 /nfs/dbraw/zinc/41/08/62/954410862.db2.gz IFUJWTZJZFCKJF-VIFPVBQESA-N -1 1 253.273 1.640 10 0 CDAEMM C[C@@H](CNC(=O)C(=O)c1ccc([O-])cc1)Cn1ccnc1 ZINC001293778266 954413622 /nfs/dbraw/zinc/41/36/22/954413622.db2.gz YDWSMOSBTFZVHV-NSHDSACASA-N -1 1 287.319 1.224 10 0 CDAEMM O=C(Nc1ccnn1[C@H]1CCOC1)c1ccc(F)c([O-])c1 ZINC001364369729 954513513 /nfs/dbraw/zinc/51/35/13/954513513.db2.gz BVLZJEBHJJVDMO-JTQLQIEISA-N -1 1 291.282 1.942 10 0 CDAEMM O=C(NCc1cc(=O)c(O)co1)c1c([O-])cccc1F ZINC001364391838 954546185 /nfs/dbraw/zinc/54/61/85/954546185.db2.gz AQQTZJAWIYEVSG-UHFFFAOYSA-N -1 1 279.223 1.120 10 0 CDAEMM COC(=O)C12CCC(CC1)N2C(=O)c1ccc(F)c([O-])c1 ZINC001364472262 954653892 /nfs/dbraw/zinc/65/38/92/954653892.db2.gz MRSJMSPMHZZDIL-UHFFFAOYSA-N -1 1 293.294 1.842 10 0 CDAEMM CC(C)[C@@H]1C[C@@H](C(=O)NC2(c3nn[n-]n3)CCC2)CCO1 ZINC001363276120 972042932 /nfs/dbraw/zinc/04/29/32/972042932.db2.gz CVDLYOJLLLYHAB-QWRGUYRKSA-N -1 1 293.371 1.146 10 0 CDAEMM CCOC(=O)[C@H](CC1CC1)NC(=O)c1ccc([O-])cn1 ZINC001364713296 955075559 /nfs/dbraw/zinc/07/55/59/955075559.db2.gz UHISNOWGXUMGCL-LBPRGKRZSA-N -1 1 278.308 1.249 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@@H]1CCc2cccc(O)c21 ZINC001363376129 972124018 /nfs/dbraw/zinc/12/40/18/972124018.db2.gz NAYRYCJUGXGONG-SNVBAGLBSA-N -1 1 299.334 1.131 10 0 CDAEMM COC1([C@@H](C)NC(=O)c2ccc(F)c([O-])c2)CCOCC1 ZINC001363457539 972181922 /nfs/dbraw/zinc/18/19/22/972181922.db2.gz ZQOAWLOQLDSHJJ-SNVBAGLBSA-N -1 1 297.326 1.845 10 0 CDAEMM C[C@H]1CN(C(=O)c2ccc([O-])cn2)C[C@@H](C(F)(F)F)O1 ZINC001433739785 960576297 /nfs/dbraw/zinc/57/62/97/960576297.db2.gz VBNDJEJYKVSKLJ-XVKPBYJWSA-N -1 1 290.241 1.579 10 0 CDAEMM C[C@@H](c1ccccc1)[C@H](CO)NC(=O)c1ccc([O-])cn1 ZINC001433853634 960696054 /nfs/dbraw/zinc/69/60/54/960696054.db2.gz WJQOZKURLAHXSV-NHYWBVRUSA-N -1 1 286.331 1.682 10 0 CDAEMM CN(C)C(=O)O[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001434012515 960875342 /nfs/dbraw/zinc/87/53/42/960875342.db2.gz JLLCQLWRKKPGRN-JTQLQIEISA-N -1 1 296.298 1.444 10 0 CDAEMM COC(=O)c1ccc2c(c1)CCN2C(=O)c1cnncc1[O-] ZINC001434115877 960995277 /nfs/dbraw/zinc/99/52/77/960995277.db2.gz ODBBKZADKXIHRT-UHFFFAOYSA-N -1 1 299.286 1.172 10 0 CDAEMM COC(=O)c1cnc(SCn2cc(Cl)cn2)[n-]1 ZINC001434454698 961426743 /nfs/dbraw/zinc/42/67/43/961426743.db2.gz GHZDQPBWFNZSHE-UHFFFAOYSA-N -1 1 272.717 1.796 10 0 CDAEMM COC(=O)c1c[n-]c(SCn2cc(Cl)cn2)n1 ZINC001434454698 961426753 /nfs/dbraw/zinc/42/67/53/961426753.db2.gz GHZDQPBWFNZSHE-UHFFFAOYSA-N -1 1 272.717 1.796 10 0 CDAEMM CO[C@H]1CC[C@@H](NC(=O)c2ccc([O-])c(F)c2)C1 ZINC001338862255 962037484 /nfs/dbraw/zinc/03/74/84/962037484.db2.gz SNBZBWZDIJFCNT-ZJUUUORDSA-N -1 1 253.273 1.829 10 0 CDAEMM O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1ccc(Cl)cc1[O-] ZINC001420225294 962604435 /nfs/dbraw/zinc/60/44/35/962604435.db2.gz FVETVDZAWWOBNB-XRNSZHNASA-N -1 1 285.727 1.050 10 0 CDAEMM CN(CCO)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001441097156 964361875 /nfs/dbraw/zinc/36/18/75/964361875.db2.gz PIMFWONVVJKWSV-UHFFFAOYSA-N -1 1 264.256 1.144 10 0 CDAEMM CC[C@H](C)NC(=O)CCNC(=O)c1cccc([O-])c1F ZINC001441975852 964814912 /nfs/dbraw/zinc/81/49/12/964814912.db2.gz HLHHWBXQICYHNQ-VIFPVBQESA-N -1 1 282.315 1.566 10 0 CDAEMM O=C(NCCCc1nc2ccccc2[nH]1)c1cnncc1O ZINC001442352098 965002875 /nfs/dbraw/zinc/00/28/75/965002875.db2.gz LFZRNUUQCWSJHV-UHFFFAOYSA-N -1 1 297.318 1.421 10 0 CDAEMM C[C@@H]1COCC[C@H]1NC(=O)c1cccc([O-])c1F ZINC001556188142 965009039 /nfs/dbraw/zinc/00/90/39/965009039.db2.gz WKIHHYYOFLRSRQ-PSASIEDQSA-N -1 1 253.273 1.686 10 0 CDAEMM Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001556827623 965108602 /nfs/dbraw/zinc/10/86/02/965108602.db2.gz QLWODEDRBSYFSD-UHFFFAOYSA-N -1 1 299.290 1.567 10 0 CDAEMM O=C(C(=O)N1CCC=C(Cl)C1)c1ccc([O-])cc1 ZINC001557314885 965165332 /nfs/dbraw/zinc/16/53/32/965165332.db2.gz ZILULSUJEBUIDR-UHFFFAOYSA-N -1 1 265.696 1.930 10 0 CDAEMM O=Cc1ccc(C=CC(=O)NCc2nc([O-])cc(=O)[nH]2)cc1 ZINC001557702488 965197501 /nfs/dbraw/zinc/19/75/01/965197501.db2.gz IJUWJCYNZOMAPQ-AATRIKPKSA-N -1 1 299.286 1.030 10 0 CDAEMM COc1cnc(C(C)(C)NC(=O)[C@H]2C[C@@H]2C)[n-]c1=O ZINC001347422816 965518761 /nfs/dbraw/zinc/51/87/61/965518761.db2.gz WWXXDBYCZWOUBD-YUMQZZPRSA-N -1 1 265.313 1.198 10 0 CDAEMM C[C@@H]1SCCN(C(=O)c2ccc([O-])cn2)[C@H]1C ZINC001444055170 965724569 /nfs/dbraw/zinc/72/45/69/965724569.db2.gz ITEZSTHRSLBPDK-IUCAKERBSA-N -1 1 252.339 1.753 10 0 CDAEMM O=C(c1cccc([O-])c1F)N1CCCC[C@H]1CCO ZINC001543419709 967298333 /nfs/dbraw/zinc/29/83/33/967298333.db2.gz QLCFAZUSUAXKIN-JTQLQIEISA-N -1 1 267.300 1.908 10 0 CDAEMM CCC(CC)(NC(=O)C[C@@H]1C[C@H]1C1CC1)c1nn[n-]n1 ZINC001449019543 967336667 /nfs/dbraw/zinc/33/66/67/967336667.db2.gz CYVRBZRPCWINFJ-QWRGUYRKSA-N -1 1 277.372 1.767 10 0 CDAEMM CCC(CC)(NC(=O)[C@H](C)c1ccncc1)c1nn[n-]n1 ZINC001449030182 967342169 /nfs/dbraw/zinc/34/21/69/967342169.db2.gz ZGVYRTZGZZCOTL-SNVBAGLBSA-N -1 1 288.355 1.530 10 0 CDAEMM Cc1ccc(-c2nnco2)cc1NC(=O)c1cnncc1[O-] ZINC001544237753 967348466 /nfs/dbraw/zinc/34/84/66/967348466.db2.gz MQOFZMBAFVHLIV-UHFFFAOYSA-N -1 1 297.274 1.793 10 0 CDAEMM O=C(NCc1nc(C(F)F)no1)C(=O)c1ccc([O-])cc1 ZINC001451970965 968037616 /nfs/dbraw/zinc/03/76/16/968037616.db2.gz IKFQGMWTGHWPPN-UHFFFAOYSA-N -1 1 297.217 1.212 10 0 CDAEMM C[C@@H]1CN(C(=O)c2cccc([O-])c2F)C[C@@H](C)C1O ZINC001300563522 968589349 /nfs/dbraw/zinc/58/93/49/968589349.db2.gz MWCFOTDICAKQGL-RKDXNWHRSA-N -1 1 267.300 1.620 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CC[C@H]([C@H]2CCCO2)C1 ZINC001455575216 968745272 /nfs/dbraw/zinc/74/52/72/968745272.db2.gz LNLWBPNCRHREOP-GXFFZTMASA-N -1 1 262.309 1.428 10 0 CDAEMM CCC(C)(C)C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001528880394 968950799 /nfs/dbraw/zinc/95/07/99/968950799.db2.gz WOXHWOLEPRPKEY-SNVBAGLBSA-N -1 1 265.361 1.417 10 0 CDAEMM O=C([N-]c1n[nH]c(SCCO)n1)c1sccc1F ZINC001457689676 969205544 /nfs/dbraw/zinc/20/55/44/969205544.db2.gz OVHGMUBEIBMBQM-UHFFFAOYSA-N -1 1 288.329 1.342 10 0 CDAEMM CC/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1ncccc1[O-] ZINC001534080647 969476834 /nfs/dbraw/zinc/47/68/34/969476834.db2.gz QTRZIDMROUEYCS-YAEJEKNGSA-N -1 1 291.351 1.378 10 0 CDAEMM CC(=O)c1cn(CC(=O)Nc2ccc([O-])c(Cl)c2)nn1 ZINC001466225668 969935430 /nfs/dbraw/zinc/93/54/30/969935430.db2.gz NUNFWOUSLFCAFO-UHFFFAOYSA-N -1 1 294.698 1.478 10 0 CDAEMM C[C@H](CO)CCCNC(=O)c1cccc([O-])c1F ZINC001466654606 969984497 /nfs/dbraw/zinc/98/44/97/969984497.db2.gz CSJXUNLQFCNRHX-VIFPVBQESA-N -1 1 255.289 1.670 10 0 CDAEMM COc1cc(NC(=O)Cc2ccc([O-])c(Cl)c2)nn1C ZINC001467237516 970031787 /nfs/dbraw/zinc/03/17/87/970031787.db2.gz OHVSKLLZZRSMLJ-UHFFFAOYSA-N -1 1 295.726 1.969 10 0 CDAEMM CC1(C)C[C@@](C)(NC(=O)c2ccc(F)c([O-])c2)C(=O)O1 ZINC001468359420 970155345 /nfs/dbraw/zinc/15/53/45/970155345.db2.gz GGIMHVOQEUNJKU-CQSZACIVSA-N -1 1 281.283 1.745 10 0 CDAEMM Cn1ccc(=O)c(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001468747582 970189287 /nfs/dbraw/zinc/18/92/87/970189287.db2.gz HMKOEOZJWRYNPY-UHFFFAOYSA-N -1 1 280.230 1.621 10 0 CDAEMM O=C(C(F)=C1CCC1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001520586727 970203319 /nfs/dbraw/zinc/20/33/19/970203319.db2.gz XKIHOXKHLZWQLT-VIFPVBQESA-N -1 1 279.319 1.388 10 0 CDAEMM O=C(NCCCC1(O)CCC1)c1cccc([O-])c1F ZINC001469116434 970222719 /nfs/dbraw/zinc/22/27/19/970222719.db2.gz HNBKEVMHYPCUFP-UHFFFAOYSA-N -1 1 267.300 1.956 10 0 CDAEMM CN(C(=O)C1(CC(=O)OC(C)(C)C)CCC1)c1nn[n-]n1 ZINC001361554523 970286275 /nfs/dbraw/zinc/28/62/75/970286275.db2.gz ISRFUBKZJRNGBN-UHFFFAOYSA-N -1 1 295.343 1.065 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC001470889910 970376342 /nfs/dbraw/zinc/37/63/42/970376342.db2.gz ULPAFKDVODFVQK-GFCCVEGCSA-N -1 1 290.298 1.041 10 0 CDAEMM CC(=O)c1ccc(CC(=O)NC2(c3nn[n-]n3)CCC2)cc1 ZINC001471660084 970457635 /nfs/dbraw/zinc/45/76/35/970457635.db2.gz YIQNCHSIOHXQTP-UHFFFAOYSA-N -1 1 299.334 1.140 10 0 CDAEMM CC1=C(C)C[C@@H](C(=O)NC2(c3nn[n-]n3)CCC2)CC1 ZINC001471659872 970458688 /nfs/dbraw/zinc/45/86/88/970458688.db2.gz SVZDSXBYKVJBQZ-NSHDSACASA-N -1 1 275.356 1.832 10 0 CDAEMM CC(C)(C)OCCCC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001471660002 970459008 /nfs/dbraw/zinc/45/90/08/970459008.db2.gz VGUWDHPDVLSVMA-UHFFFAOYSA-N -1 1 281.360 1.290 10 0 CDAEMM Nc1c[nH]nc1[C@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001472353388 970625622 /nfs/dbraw/zinc/62/56/22/970625622.db2.gz SJANXVRPIADQQE-QMMMGPOBSA-N -1 1 290.298 1.466 10 0 CDAEMM O=C(Nc1nnc(C(F)F)s1)c1cnncc1[O-] ZINC001361956589 970714803 /nfs/dbraw/zinc/71/48/03/970714803.db2.gz GWKATTASXPBYNG-UHFFFAOYSA-N -1 1 273.224 1.224 10 0 CDAEMM Cc1ccc(F)cc1C(=O)C(=O)[N-]c1ccc(=O)[nH]n1 ZINC001523473967 970720197 /nfs/dbraw/zinc/72/01/97/970720197.db2.gz KOBHXVZDMYKMLM-UHFFFAOYSA-N -1 1 275.239 1.451 10 0 CDAEMM CCCCCC(=O)N1CCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001495544987 972533630 /nfs/dbraw/zinc/53/36/30/972533630.db2.gz DXDQTWDEEGFQTB-LLVKDONJSA-N -1 1 295.387 1.171 10 0 CDAEMM CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c([O-])c1 ZINC001417599780 973182522 /nfs/dbraw/zinc/18/25/22/973182522.db2.gz JCESSKUWMWLEQH-UHFFFAOYSA-N -1 1 282.315 1.518 10 0 CDAEMM COC(=O)[C@H](C)CN(C(=O)c1ccc(F)c([O-])c1)C1CC1 ZINC001417630086 973215216 /nfs/dbraw/zinc/21/52/16/973215216.db2.gz HHNLDJCYQYFMDH-SECBINFHSA-N -1 1 295.310 1.945 10 0 CDAEMM CSc1ncc(C(=O)NC[C@H]2CCCOC2)c(=O)[n-]1 ZINC001417732519 973343568 /nfs/dbraw/zinc/34/35/68/973343568.db2.gz HOTZYYGBPQFNSQ-MRVPVSSYSA-N -1 1 283.353 1.061 10 0 CDAEMM O=C(N[C@@H]1C[C@H]1[C@H]1CCCO1)c1ccc(F)c([O-])c1 ZINC001570900012 1170315913 /nfs/dbraw/zinc/31/59/13/1170315913.db2.gz FZZPZCPYWNSMMC-IRUJWGPZSA-N -1 1 265.284 1.829 10 0 CDAEMM Cc1cc(=NC(=O)c2cncc([O-])c2)[nH]n1[C@@H](C)C1CC1 ZINC000354602547 365573604 /nfs/dbraw/zinc/57/36/04/365573604.db2.gz PIHYMHJMNNIDIV-JTQLQIEISA-N -1 1 286.335 1.937 10 0 CDAEMM CCC[C@H](C)C(=O)NCCNC(=O)c1ncc(C)cc1[O-] ZINC000351559620 361756915 /nfs/dbraw/zinc/75/69/15/361756915.db2.gz ODQWWDASDZESGM-NSHDSACASA-N -1 1 293.367 1.378 10 0 CDAEMM Cc1ccc(S(=O)(=O)[N-][C@H](CO)CCF)c(F)c1F ZINC000625269480 342065142 /nfs/dbraw/zinc/06/51/42/342065142.db2.gz QNKAULHTNYEXRH-QMMMGPOBSA-N -1 1 297.298 1.272 10 0 CDAEMM CCO[C@@H](C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1)C1CC1 ZINC000625391619 342096303 /nfs/dbraw/zinc/09/63/03/342096303.db2.gz GVEDLSNMTYYYMM-RYUDHWBXSA-N -1 1 279.388 1.180 10 0 CDAEMM O=C([O-])c1cccc([C@H]2CN(C(=O)[O-])CC[NH2+]2)c1 ZINC000616633154 342121490 /nfs/dbraw/zinc/12/14/90/342121490.db2.gz MDKBLFRPOZGCEU-SNVBAGLBSA-N -1 1 250.254 1.009 10 0 CDAEMM O=C(N[C@H]1C[C@H](O)C12CCC2)c1ncc2ccccc2c1[O-] ZINC000619074417 349616866 /nfs/dbraw/zinc/61/68/66/349616866.db2.gz YTBMMSWOGGTICA-STQMWFEESA-N -1 1 298.342 1.974 10 0 CDAEMM C[C@@H]1CCN(C(=O)c2ncccc2[O-])C[C@H](C)O1 ZINC000619118193 349631392 /nfs/dbraw/zinc/63/13/92/349631392.db2.gz MUOQQWBVPHHICK-ZJUUUORDSA-N -1 1 250.298 1.427 10 0 CDAEMM Cc1cnc(C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000594391121 342894839 /nfs/dbraw/zinc/89/48/39/342894839.db2.gz PAALXJAFWBOFCG-SNVBAGLBSA-N -1 1 294.351 1.803 10 0 CDAEMM O=C(Cc1nn[n-]n1)Nc1ccc(SC(F)F)cc1 ZINC000095234484 342237617 /nfs/dbraw/zinc/23/76/17/342237617.db2.gz PEXCKNQXAPAVSB-UHFFFAOYSA-N -1 1 285.279 1.696 10 0 CDAEMM Cc1ccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)cc1C ZINC000605532185 342259710 /nfs/dbraw/zinc/25/97/10/342259710.db2.gz QHHHCIZWLBKLDX-UHFFFAOYSA-N -1 1 299.378 1.945 10 0 CDAEMM COC(=O)[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)[C@@H]2CCCC[C@@H]12 ZINC000595730487 343133483 /nfs/dbraw/zinc/13/34/83/343133483.db2.gz JHXLAOVMECUIAD-HBNTYKKESA-N -1 1 294.355 1.064 10 0 CDAEMM CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3nc(C)ccc3O)[C@H]2C1 ZINC000092095635 342410593 /nfs/dbraw/zinc/41/05/93/342410593.db2.gz CWQXPSMLXWIKCG-INWMFGNUSA-N -1 1 292.379 1.864 10 0 CDAEMM CCOC(=O)[C@@H](CC(=O)Nc1c([O-])cccc1F)C(C)=O ZINC000597441950 343538325 /nfs/dbraw/zinc/53/83/25/343538325.db2.gz IJUFBTYSZBUOKB-VIFPVBQESA-N -1 1 297.282 1.628 10 0 CDAEMM C[C@@H](CNC(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1 ZINC000619682810 349850197 /nfs/dbraw/zinc/85/01/97/349850197.db2.gz QMPRUBOVLHHMRR-VIFPVBQESA-N -1 1 271.320 1.699 10 0 CDAEMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@H](C)c1ccco1 ZINC000612053178 346992285 /nfs/dbraw/zinc/99/22/85/346992285.db2.gz BPPPPJJQFADNHP-SECBINFHSA-N -1 1 291.307 1.354 10 0 CDAEMM CSCC1CCC(NC(=O)CCc2nn[n-]n2)CC1 ZINC000601614131 344203406 /nfs/dbraw/zinc/20/34/06/344203406.db2.gz OEXVSYMLYOSGJV-UHFFFAOYSA-N -1 1 283.401 1.170 10 0 CDAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)C2CC3(CC3)C2)n[n-]1 ZINC000603153378 344714875 /nfs/dbraw/zinc/71/48/75/344714875.db2.gz HZGNVPQGVZZUEX-MRVPVSSYSA-N -1 1 292.339 1.349 10 0 CDAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)C2CC3(CC3)C2)[n-]1 ZINC000603153378 344714877 /nfs/dbraw/zinc/71/48/77/344714877.db2.gz HZGNVPQGVZZUEX-MRVPVSSYSA-N -1 1 292.339 1.349 10 0 CDAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)C2CC3(CC3)C2)n1 ZINC000603153378 344714880 /nfs/dbraw/zinc/71/48/80/344714880.db2.gz HZGNVPQGVZZUEX-MRVPVSSYSA-N -1 1 292.339 1.349 10 0 CDAEMM CO[C@@H](CNC(=O)c1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000617135485 344916842 /nfs/dbraw/zinc/91/68/42/344916842.db2.gz OBFVMWSQTUIAGE-ZANVPECISA-N -1 1 283.299 1.313 10 0 CDAEMM Cc1cc(F)cc2[nH]c(C(=O)NCc3nn[n-]n3)cc21 ZINC000604868558 344942377 /nfs/dbraw/zinc/94/23/77/344942377.db2.gz UKWNNXAYAZGNPK-UHFFFAOYSA-N -1 1 274.259 1.059 10 0 CDAEMM CO[C@H]1C[C@@H](CC(=O)[O-])[N@@H+](Cc2ccc(F)cc2)C1 ZINC000580955644 362541824 /nfs/dbraw/zinc/54/18/24/362541824.db2.gz KKYSOINIADSURD-STQMWFEESA-N -1 1 267.300 1.890 10 0 CDAEMM O=C(N[C@H](CO)C1CCC1)c1c([O-])cccc1F ZINC000617312486 345147268 /nfs/dbraw/zinc/14/72/68/345147268.db2.gz ZJUPZWRUXIBRHQ-SNVBAGLBSA-N -1 1 253.273 1.422 10 0 CDAEMM COCC1(N(C)C(=O)c2ncc(C)cc2[O-])CC1 ZINC000617470130 345550146 /nfs/dbraw/zinc/55/01/46/345550146.db2.gz KKMLFFWYIVJZPT-UHFFFAOYSA-N -1 1 250.298 1.347 10 0 CDAEMM O=C(CNCC(F)(F)F)Nc1c([O-])cccc1F ZINC000608366844 345737761 /nfs/dbraw/zinc/73/77/61/345737761.db2.gz OEEIFGCCYYYYIJ-UHFFFAOYSA-N -1 1 266.194 1.622 10 0 CDAEMM O=c1[n-]cnc(C2CC2)c1I ZINC000085450208 179065374 /nfs/dbraw/zinc/06/53/74/179065374.db2.gz IILHGDBUASAKRE-UHFFFAOYSA-N -1 1 262.050 1.252 10 0 CDAEMM NNc1ccc(S(=O)(=O)[N-]c2ccsc2)cn1 ZINC000085535766 179092310 /nfs/dbraw/zinc/09/23/10/179092310.db2.gz AYFUNJOVCOXOOO-UHFFFAOYSA-N -1 1 270.339 1.230 10 0 CDAEMM O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](O)C(F)(F)C1 ZINC000617807616 346474578 /nfs/dbraw/zinc/47/45/78/346474578.db2.gz HPAPSVBXICPEEC-SNVBAGLBSA-N -1 1 275.226 1.373 10 0 CDAEMM CO[C@@H](CCNC(=O)c1cncc([O-])c1)C(F)(F)F ZINC000355056436 365868511 /nfs/dbraw/zinc/86/85/11/365868511.db2.gz BHILYLGQRYYJSU-VIFPVBQESA-N -1 1 278.230 1.484 10 0 CDAEMM C[C@@H](CO)[C@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC000612502791 347183893 /nfs/dbraw/zinc/18/38/93/347183893.db2.gz YRLGMAOFADYVCV-UWVGGRQHSA-N -1 1 274.320 1.687 10 0 CDAEMM Cc1ccc(/C=C/c2cc(=O)n3[n-]cnc3n2)s1 ZINC000352029160 362789718 /nfs/dbraw/zinc/78/97/18/362789718.db2.gz XTLJLLCBNAHAFK-HWKANZROSA-N -1 1 258.306 1.958 10 0 CDAEMM O=C(C1CC2(CC2)C1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000612816283 347290604 /nfs/dbraw/zinc/29/06/04/347290604.db2.gz KZFDSXAEXALNPH-VIFPVBQESA-N -1 1 261.329 1.096 10 0 CDAEMM O=C([O-])CCN1CCN(C/C(Cl)=C/Cl)CC1 ZINC000086000619 179214048 /nfs/dbraw/zinc/21/40/48/179214048.db2.gz ZKPDTVRFOKSDAI-CLFYSBASSA-N -1 1 267.156 1.398 10 0 CDAEMM COC(=O)[C@H](NC(=O)c1c([O-])cccc1F)C(C)(C)C ZINC000613958915 347951105 /nfs/dbraw/zinc/95/11/05/347951105.db2.gz AVDUUQPXICTHAL-NSHDSACASA-N -1 1 283.299 1.849 10 0 CDAEMM O=C(NCCc1ccco1)c1nc2ccccc2c(=O)[n-]1 ZINC000074272562 349209358 /nfs/dbraw/zinc/20/93/58/349209358.db2.gz MHXWHZBSTPNCCI-UHFFFAOYSA-N -1 1 283.287 1.489 10 0 CDAEMM CCOC(=O)N1c2ccccc2NC[C@@H]1c1nn[n-]n1 ZINC000616690679 349430903 /nfs/dbraw/zinc/43/09/03/349430903.db2.gz CINXBXQBDAACOU-SNVBAGLBSA-N -1 1 274.284 1.329 10 0 CDAEMM CC1(C)OCC[C@H]1CNC(=O)c1csc(=NC2CC2)[n-]1 ZINC000620516843 350237174 /nfs/dbraw/zinc/23/71/74/350237174.db2.gz CXAMVXWUHQTVPN-VIFPVBQESA-N -1 1 295.408 1.684 10 0 CDAEMM Cc1ncc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)s1 ZINC000621303282 350532374 /nfs/dbraw/zinc/53/23/74/350532374.db2.gz BJVCDOQAMFDYGI-SSDOTTSWSA-N -1 1 282.337 1.775 10 0 CDAEMM CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)[C@H](C)O ZINC000451884480 363169917 /nfs/dbraw/zinc/16/99/17/363169917.db2.gz DENBCEQVDFTYEF-XVKPBYJWSA-N -1 1 295.763 1.917 10 0 CDAEMM Cn1c(CNC(=O)[C@]2(C)CC2(Cl)Cl)n[n-]c1=S ZINC000071889171 355954179 /nfs/dbraw/zinc/95/41/79/355954179.db2.gz IXNGDHPOFYTRNI-QMMMGPOBSA-N -1 1 295.195 1.678 10 0 CDAEMM O=S(=O)([N-]C1(CO)CC1)c1cc2cc(F)ccc2o1 ZINC000659934753 412623216 /nfs/dbraw/zinc/62/32/16/412623216.db2.gz FMOPDUYQHXHKEI-UHFFFAOYSA-N -1 1 285.296 1.375 10 0 CDAEMM O=c1c2c([n-]n1[C@H]1CCCS(=O)(=O)C1)CCCCC2 ZINC000634634416 356611276 /nfs/dbraw/zinc/61/12/76/356611276.db2.gz XDLXXSKXBLUQSC-QWRGUYRKSA-N -1 1 284.381 1.342 10 0 CDAEMM Cc1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)no1 ZINC000725266606 538456774 /nfs/dbraw/zinc/45/67/74/538456774.db2.gz UTVRDNMYQZULIU-UHFFFAOYSA-N -1 1 250.258 1.723 10 0 CDAEMM Cc1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)nn1C ZINC000725266346 538457436 /nfs/dbraw/zinc/45/74/36/538457436.db2.gz LOEUFIBWHJJDQF-UHFFFAOYSA-N -1 1 263.301 1.469 10 0 CDAEMM COCCC1CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000644766976 357525695 /nfs/dbraw/zinc/52/56/95/357525695.db2.gz RRLVGEBPUOWORA-UHFFFAOYSA-N -1 1 253.273 1.640 10 0 CDAEMM C[C@H](NC(=O)c1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000081937661 358143951 /nfs/dbraw/zinc/14/39/51/358143951.db2.gz FMJAZFJRXKJYHR-QPUJVOFHSA-N -1 1 253.273 1.829 10 0 CDAEMM CCC[C@@H](NC(=O)c1cncc(Cl)c1)c1nn[n-]n1 ZINC000294923907 199250426 /nfs/dbraw/zinc/25/04/26/199250426.db2.gz LBQVCTRENOYXGN-SECBINFHSA-N -1 1 280.719 1.519 10 0 CDAEMM CC(C)Cc1nc(=NCc2n[nH]c(=O)n2C2CC2)s[n-]1 ZINC000631441295 359877960 /nfs/dbraw/zinc/87/79/60/359877960.db2.gz NSCDOSASPRASSL-UHFFFAOYSA-N -1 1 294.384 1.403 10 0 CDAEMM CCOCCN(C)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000089460723 360176802 /nfs/dbraw/zinc/17/68/02/360176802.db2.gz YNLFQNCHOMLQKJ-UHFFFAOYSA-N -1 1 289.335 1.752 10 0 CDAEMM CCOCCN(C)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000089460723 360176804 /nfs/dbraw/zinc/17/68/04/360176804.db2.gz YNLFQNCHOMLQKJ-UHFFFAOYSA-N -1 1 289.335 1.752 10 0 CDAEMM CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cccc(O)c1 ZINC000335573875 360477911 /nfs/dbraw/zinc/47/79/11/360477911.db2.gz IALIYQGQEYWVDL-ZDUSSCGKSA-N -1 1 262.353 1.949 10 0 CDAEMM O=C(Cc1nn[n-]n1)Nc1cccc2ccccc21 ZINC000095251020 360565663 /nfs/dbraw/zinc/56/56/63/360565663.db2.gz IMMPVEVTYIWCQI-UHFFFAOYSA-N -1 1 253.265 1.534 10 0 CDAEMM Cc1cnc(C(=O)N[C@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000408375564 360745741 /nfs/dbraw/zinc/74/57/41/360745741.db2.gz SXBXLCGUTVUCOU-TVQRCGJNSA-N -1 1 250.298 1.393 10 0 CDAEMM Cc1ccc(C[C@H](C)C(=O)NC2(c3nn[n-]n3)CC2)cc1 ZINC000357072406 366739302 /nfs/dbraw/zinc/73/93/02/366739302.db2.gz HLJAJMRAQYLHRH-NSHDSACASA-N -1 1 285.351 1.492 10 0 CDAEMM Cc1cnc(C(=O)N(C)CCC2CCOCC2)c([O-])c1 ZINC000339515169 361578194 /nfs/dbraw/zinc/57/81/94/361578194.db2.gz OWHCDRSSPQOJJM-UHFFFAOYSA-N -1 1 278.352 1.984 10 0 CDAEMM Cc1o[n-]c(=N)c1S(=O)(=O)NC1(C2(C)CC2)CC1 ZINC000562550356 361584455 /nfs/dbraw/zinc/58/44/55/361584455.db2.gz UZPODIKFCJAYRQ-UHFFFAOYSA-N -1 1 271.342 1.007 10 0 CDAEMM Cc1onc(N)c1S(=O)(=O)[N-]C1(C2(C)CC2)CC1 ZINC000562550356 361584458 /nfs/dbraw/zinc/58/44/58/361584458.db2.gz UZPODIKFCJAYRQ-UHFFFAOYSA-N -1 1 271.342 1.007 10 0 CDAEMM COCCN(C(=O)c1ccc([O-])cc1F)[C@H]1CCOC1 ZINC000436839282 361587605 /nfs/dbraw/zinc/58/76/05/361587605.db2.gz SVVAAXLBESMIPO-JTQLQIEISA-N -1 1 283.299 1.409 10 0 CDAEMM Cn1[n-]c(CSCc2c(F)cccc2F)nc1=O ZINC000351284952 361634048 /nfs/dbraw/zinc/63/40/48/361634048.db2.gz CEDDGCGZBPNRLJ-UHFFFAOYSA-N -1 1 271.292 1.820 10 0 CDAEMM CNS(=O)(=O)[N-]CC(F)(F)c1ccccc1C ZINC000660055560 412723977 /nfs/dbraw/zinc/72/39/77/412723977.db2.gz GMDSQLLTNUXKBK-UHFFFAOYSA-N -1 1 264.297 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1.582 10 0 CDAEMM O=C(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cccc([O-])c1F ZINC001636208033 1166662549 /nfs/dbraw/zinc/66/25/49/1166662549.db2.gz QVUYHXAXCNXSRZ-LODQBSKSSA-N -1 1 263.268 1.437 10 0 CDAEMM Cn1cc(C(=O)Nc2ccc([O-])c(F)c2F)nn1 ZINC001636507352 1166679264 /nfs/dbraw/zinc/67/92/64/1166679264.db2.gz VYDUAYPZMKRQNC-UHFFFAOYSA-N -1 1 254.196 1.051 10 0 CDAEMM O=C(N[C@@H]1CC12CCOCC2)c1ccc(F)c([O-])c1 ZINC001637074585 1166722664 /nfs/dbraw/zinc/72/26/64/1166722664.db2.gz COYWJVNSKOMYHM-GFCCVEGCSA-N -1 1 265.284 1.830 10 0 CDAEMM CCOC1(C)CCN(C(=O)c2ccc([O-])cn2)CC1 ZINC001637834561 1166789151 /nfs/dbraw/zinc/78/91/51/1166789151.db2.gz FLARSOZLDVMOMX-UHFFFAOYSA-N -1 1 264.325 1.818 10 0 CDAEMM Nc1nccnc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001639452154 1166940603 /nfs/dbraw/zinc/94/06/03/1166940603.db2.gz XRXUZZQKZLZHTQ-UHFFFAOYSA-N -1 1 266.207 1.295 10 0 CDAEMM Cc1ccnc([C@@H](C)NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC001639470713 1166942567 /nfs/dbraw/zinc/94/25/67/1166942567.db2.gz PPUCEXMPTAWVIS-SNVBAGLBSA-N -1 1 285.303 1.551 10 0 CDAEMM C[C@@H]1CN(C(=O)c2ccc(F)c([O-])c2)C[C@@H](C)C1=O ZINC001640979680 1167067793 /nfs/dbraw/zinc/06/77/93/1167067793.db2.gz AUNYHTHHDYKLJS-RKDXNWHRSA-N -1 1 265.284 1.828 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NC(C)(C)C(C)(C)O)c1 ZINC001644041273 1167289029 /nfs/dbraw/zinc/28/90/29/1167289029.db2.gz CKIQLMXUKOJLID-UHFFFAOYSA-N -1 1 279.336 1.792 10 0 CDAEMM CC(=Cc1ccco1)C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001644716736 1167342228 /nfs/dbraw/zinc/34/22/28/1167342228.db2.gz ADGRSTPSGPNEPG-XFFZJAGNSA-N -1 1 289.339 1.881 10 0 CDAEMM O=C([C@H]1CC12CCC2)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001646990875 1168328806 /nfs/dbraw/zinc/32/88/06/1168328806.db2.gz GQCAUUMNNXUNCN-WDEREUQCSA-N -1 1 275.356 1.171 10 0 CDAEMM O=C(NC/C=C\Cl)c1ccc2n[n-]c(=S)n2c1 ZINC001648416557 1169129362 /nfs/dbraw/zinc/12/93/62/1169129362.db2.gz FGHNXXTUHAHEFZ-RJRFIUFISA-N -1 1 268.729 1.500 10 0 CDAEMM O=C(C[C@H]1OCc2ccccc21)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001650583824 1171207927 /nfs/dbraw/zinc/20/79/27/1171207927.db2.gz ZSBVJGBPKUCDDS-ZWNOBZJWSA-N -1 1 299.334 1.177 10 0 CDAEMM C[C@H](C(=O)NC1(c2nn[n-]n2)CCC1)C1CCCC1 ZINC001651218183 1171302657 /nfs/dbraw/zinc/30/26/57/1171302657.db2.gz DCDLCAVJHNAQAF-VIFPVBQESA-N -1 1 263.345 1.521 10 0 CDAEMM O=C(/C=C/CCc1ccccc1)NC1(c2nn[n-]n2)CCC1 ZINC001651218840 1171303883 /nfs/dbraw/zinc/30/38/83/1171303883.db2.gz ZRLSVGCKKWXUPR-BJMVGYQFSA-N -1 1 297.362 1.884 10 0 CDAEMM CC[C@H](C)CCC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001651218730 1171303915 /nfs/dbraw/zinc/30/39/15/1171303915.db2.gz UDDQQZQTKPLUES-VIFPVBQESA-N -1 1 251.334 1.521 10 0 CDAEMM Cc1[nH]nc(NC(=O)c2cnncc2[O-])c1-c1cccnc1 ZINC001651630829 1171339891 /nfs/dbraw/zinc/33/98/91/1171339891.db2.gz KMNZAJKTSWHAND-UHFFFAOYSA-N -1 1 296.290 1.528 10 0 CDAEMM O=C(Nc1c[n-][nH]c1=O)c1cc(C(F)F)ncn1 ZINC001654603267 1171623863 /nfs/dbraw/zinc/62/38/63/1171623863.db2.gz HAYNGHDKFAPCIE-UHFFFAOYSA-N -1 1 255.184 1.095 10 0 CDAEMM C[C@@H](C(=O)NCCCNC(=O)c1ncccc1[O-])C1CC1 ZINC001736904920 1184064362 /nfs/dbraw/zinc/06/43/62/1184064362.db2.gz UVSZPPBBVPFGDC-SNVBAGLBSA-N -1 1 291.351 1.069 10 0 CDAEMM C[C@H]1C[C@@H]1CC(=O)NCCCNC(=O)c1ncccc1[O-] ZINC001742832964 1184595564 /nfs/dbraw/zinc/59/55/64/1184595564.db2.gz FTLRIWSQOKMJHF-WDEREUQCSA-N -1 1 291.351 1.069 10 0 CDAEMM O=C1OCCN1CCCNc1cc(Cl)[n-]c(=O)n1 ZINC000858389503 735183822 /nfs/dbraw/zinc/18/38/22/735183822.db2.gz IILUJCIYXASESF-UHFFFAOYSA-N -1 1 272.692 1.090 10 0 CDAEMM CCNC(=O)CN(C)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929298409 735462814 /nfs/dbraw/zinc/46/28/14/735462814.db2.gz ZFDQBRLPRUKORH-NSHDSACASA-N -1 1 278.352 1.279 10 0 CDAEMM O=C([O-])c1csc(CN2C[C@@H]3CSC[C@@H]3C2)n1 ZINC000711591696 735525214 /nfs/dbraw/zinc/52/52/14/735525214.db2.gz LJYYRSVTBIYCCM-OCAPTIKFSA-N -1 1 270.379 1.636 10 0 CDAEMM CC[C@@H]1C(=O)NCCN1C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000929683593 735746508 /nfs/dbraw/zinc/74/65/08/735746508.db2.gz TZVRZTZZVYVCJX-SMDDNHRTSA-N -1 1 290.363 1.421 10 0 CDAEMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000089162421 735767222 /nfs/dbraw/zinc/76/72/22/735767222.db2.gz FJDZTLJNUJXMBM-QWRGUYRKSA-N -1 1 293.367 1.093 10 0 CDAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@H]4C[C@@]4(CO)C3)c[n-]c2[nH+]1 ZINC000783937169 735785863 /nfs/dbraw/zinc/78/58/63/735785863.db2.gz XDNGONHOGPHJID-HWPZZCPQSA-N -1 1 299.330 1.098 10 0 CDAEMM Cc1ccc2c(=O)c(C(=O)N3C[C@H]4C[C@@]4(CO)C3)c[n-]c2n1 ZINC000783937169 735785876 /nfs/dbraw/zinc/78/58/76/735785876.db2.gz XDNGONHOGPHJID-HWPZZCPQSA-N -1 1 299.330 1.098 10 0 CDAEMM CC(=O)OC1CCN(C(=O)c2ncc(C)cc2[O-])CC1 ZINC000779024487 735867185 /nfs/dbraw/zinc/86/71/85/735867185.db2.gz NSQXPCCJLXARGF-UHFFFAOYSA-N -1 1 278.308 1.263 10 0 CDAEMM CC(=Cc1cccnc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000847605000 735952946 /nfs/dbraw/zinc/95/29/46/735952946.db2.gz TVBVSNRHKFRZAZ-RUNBWSAHSA-N -1 1 298.350 1.404 10 0 CDAEMM O=C([O-])C[C@@H](NS(=O)(=O)C(F)F)c1ccccc1F ZINC000817419444 733173911 /nfs/dbraw/zinc/17/39/11/733173911.db2.gz ANOJSVPOFNWPDL-MRVPVSSYSA-N -1 1 297.254 1.484 10 0 CDAEMM C[C@](CCF)(NC(=O)N[C@H]1CCCc2cn[nH]c21)C(=O)[O-] ZINC000849236343 733194672 /nfs/dbraw/zinc/19/46/72/733194672.db2.gz HGZCXPXVEZWZMI-TVQRCGJNSA-N -1 1 298.318 1.289 10 0 CDAEMM CC(C)[C@@H](CO)O[N-]C(=O)[C@H](C)c1ccncc1 ZINC000868726940 733516517 /nfs/dbraw/zinc/51/65/17/733516517.db2.gz MALLEGDDAATXMG-ZYHUDNBSSA-N -1 1 252.314 1.250 10 0 CDAEMM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)n[nH]1 ZINC000716730020 733644420 /nfs/dbraw/zinc/64/44/20/733644420.db2.gz XMXLSZJIWZBBJN-BQBZGAKWSA-N -1 1 291.229 1.053 10 0 CDAEMM O=C(CCCc1nn[n-]n1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927300706 733748446 /nfs/dbraw/zinc/74/84/46/733748446.db2.gz QXFGYRAQRHQJTL-CJNGLKHVSA-N -1 1 297.362 1.323 10 0 CDAEMM COc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)sn1 ZINC000710492444 733855916 /nfs/dbraw/zinc/85/59/16/733855916.db2.gz DHQUPOYRLKILJM-WPRPVWTQSA-N -1 1 270.354 1.694 10 0 CDAEMM CSc1ccccc1C(=O)N1CCC[C@@H]1c1nn[n-]n1 ZINC000720628578 733899201 /nfs/dbraw/zinc/89/92/01/733899201.db2.gz QNWTUGXFPFEBRE-SNVBAGLBSA-N -1 1 289.364 1.899 10 0 CDAEMM C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[nH]cc2ncnc1-2 ZINC000923154938 734144255 /nfs/dbraw/zinc/14/42/55/734144255.db2.gz DICYRIDOEGWZGQ-RKDXNWHRSA-N -1 1 288.307 1.283 10 0 CDAEMM CCC[C@@H](NC(=O)c1csc(Cl)n1)c1nn[n-]n1 ZINC000829799919 734162621 /nfs/dbraw/zinc/16/26/21/734162621.db2.gz BGAGUQKAZFVNHW-RXMQYKEDSA-N -1 1 286.748 1.581 10 0 CDAEMM Cn1[n-]cc2c(=NC(=O)N[C@@H]3C[C@H]4C[C@H]4C3)ccnc1-2 ZINC000824314570 734207496 /nfs/dbraw/zinc/20/74/96/734207496.db2.gz OGWVGSZKDWJKHS-ILWJIGKKSA-N -1 1 271.324 1.262 10 0 CDAEMM CS(C)(=O)=NS(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC000867376356 734254664 /nfs/dbraw/zinc/25/46/64/734254664.db2.gz AMSZJQQNLSIMOG-UHFFFAOYSA-N -1 1 294.442 1.519 10 0 CDAEMM CCC(CC)[N-]S(=O)(=O)c1cnn(C)c1C(F)(F)F ZINC000866382997 734365867 /nfs/dbraw/zinc/36/58/67/734365867.db2.gz BTRMDGOJRONQHP-UHFFFAOYSA-N -1 1 299.318 1.906 10 0 CDAEMM O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cn[n-]n1 ZINC000805608427 734518570 /nfs/dbraw/zinc/51/85/70/734518570.db2.gz DIUDFDDSFMFEDA-UHFFFAOYSA-N -1 1 287.254 1.487 10 0 CDAEMM Cc1ccc(-n2cc([O-])c(C(=O)OC[C@@H](C)CO)n2)cc1 ZINC000801366286 734546706 /nfs/dbraw/zinc/54/67/06/734546706.db2.gz DUFRSMUPMZFMJQ-NSHDSACASA-N -1 1 290.319 1.672 10 0 CDAEMM Cc1cnc(C(=O)N[C@@H](C)C(=O)OC2CCCC2)c([O-])c1 ZINC000778953736 734693530 /nfs/dbraw/zinc/69/35/30/734693530.db2.gz GOEVYMRWIWNFOH-JTQLQIEISA-N -1 1 292.335 1.700 10 0 CDAEMM O=C(Cc1ccsc1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000095185467 734763774 /nfs/dbraw/zinc/76/37/74/734763774.db2.gz TXYKSPZKFIKHCU-SECBINFHSA-N -1 1 263.326 1.167 10 0 CDAEMM Cn1[n-]c(COC(=O)[C@@H]2CCCC[C@@H]2C2CC2)nc1=O ZINC000829752566 734863490 /nfs/dbraw/zinc/86/34/90/734863490.db2.gz SETXBIMWTDSRPU-GHMZBOCLSA-N -1 1 279.340 1.368 10 0 CDAEMM CC(C)(C)C[C@H]1CCCN1C(=O)Cc1sc(N)nc1[O-] ZINC000079815289 734883518 /nfs/dbraw/zinc/88/35/18/734883518.db2.gz BSXWWGMCFFGKKC-ZJUUUORDSA-N -1 1 297.424 1.760 10 0 CDAEMM Cc1cnc(C(=O)NCCCNc2ncccn2)c([O-])c1 ZINC000778618889 734888250 /nfs/dbraw/zinc/88/82/50/734888250.db2.gz PIDPYCDIMXSBHC-UHFFFAOYSA-N -1 1 287.323 1.118 10 0 CDAEMM O=C(CCc1nn[n-]n1)NCCC1(c2ccccc2)CC1 ZINC000927540029 734893880 /nfs/dbraw/zinc/89/38/80/734893880.db2.gz XKLMQJORYXMZAX-UHFFFAOYSA-N -1 1 285.351 1.370 10 0 CDAEMM O=C(NCc1nc([O-])cc(=O)[nH]1)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000825284415 734895078 /nfs/dbraw/zinc/89/50/78/734895078.db2.gz WXVYAAFJIMJHCE-LPEHRKFASA-N -1 1 277.324 1.330 10 0 CDAEMM C[C@@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)N(C)C ZINC000846718034 734910556 /nfs/dbraw/zinc/91/05/56/734910556.db2.gz UVSAIHKICWJZHF-ZWKOPEQDSA-N -1 1 276.336 1.366 10 0 CDAEMM CC(=Cc1ccccn1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000847725611 735078672 /nfs/dbraw/zinc/07/86/72/735078672.db2.gz OJYJZHIQHYYXET-IEHMKBBKSA-N -1 1 286.339 1.260 10 0 CDAEMM Cc1nocc1S(=O)(=O)[N-]C(C)(C)/C=C/Cl ZINC000921515114 735192925 /nfs/dbraw/zinc/19/29/25/735192925.db2.gz YRPSSPVAYUVIRJ-SNAWJCMRSA-N -1 1 264.734 1.792 10 0 CDAEMM CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000931318095 735577756 /nfs/dbraw/zinc/57/77/56/735577756.db2.gz RGAGMGLJCQSJBM-TUAOUCFPSA-N -1 1 299.367 1.929 10 0 CDAEMM CCO[N-]C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 ZINC000025620917 735667712 /nfs/dbraw/zinc/66/77/12/735667712.db2.gz RYDJVAARYVLHIY-SNVBAGLBSA-N -1 1 294.376 1.829 10 0 CDAEMM Cc1onc(N)c1S(=O)(=O)[N-]CC(C)(C)C(C)(F)F ZINC000867786707 735831485 /nfs/dbraw/zinc/83/14/85/735831485.db2.gz JNERUYNGNBDZPU-UHFFFAOYSA-N -1 1 297.327 1.525 10 0 CDAEMM C[C@@H]1CC[C@](C)(C=CC(=O)NCc2nn[n-]n2)C1(C)C ZINC000841392026 735876871 /nfs/dbraw/zinc/87/68/71/735876871.db2.gz PJUUDRLQCJLEJI-VGTWJXLFSA-N -1 1 277.372 1.835 10 0 CDAEMM C[C@@H]1CC[C@](C)(/C=C/C(=O)NCc2nn[n-]n2)C1(C)C ZINC000841392026 735876876 /nfs/dbraw/zinc/87/68/76/735876876.db2.gz PJUUDRLQCJLEJI-VGTWJXLFSA-N -1 1 277.372 1.835 10 0 CDAEMM O=C(N[C@H]1CC12CCC2)c1nc2ccccc2c(=O)[n-]1 ZINC000871761846 736162625 /nfs/dbraw/zinc/16/26/25/736162625.db2.gz FGXJJCHDLXDQJN-NSHDSACASA-N -1 1 269.304 1.596 10 0 CDAEMM O=C(NCCc1c(F)cc([O-])cc1F)NOC1CCC1 ZINC000922689886 736302263 /nfs/dbraw/zinc/30/22/63/736302263.db2.gz PBSRUAKUZUDYTF-UHFFFAOYSA-N -1 1 286.278 1.996 10 0 CDAEMM NC(=O)CC1CC(NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000928048560 736311420 /nfs/dbraw/zinc/31/14/20/736311420.db2.gz AKLSXBGSQYGYEY-UHFFFAOYSA-N -1 1 298.342 1.929 10 0 CDAEMM CO[C@@H]1CC[C@H](NC(=O)c2cc(C)cc(C=O)c2[O-])C1 ZINC001616354626 1165567780 /nfs/dbraw/zinc/56/77/80/1165567780.db2.gz LIRWCTWAGBUMLX-NWDGAFQWSA-N -1 1 277.320 1.810 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NC[C@@]2(C)CCOC2)c1 ZINC001627962980 1166027408 /nfs/dbraw/zinc/02/74/08/1166027408.db2.gz KBFJCRAHSBJAMI-OAHLLOKOSA-N -1 1 277.320 1.670 10 0 CDAEMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H](O)c1cccnc1 ZINC001635379350 1166583660 /nfs/dbraw/zinc/58/36/60/1166583660.db2.gz OCQRYXXPQPHLQQ-LBPRGKRZSA-N -1 1 280.230 1.738 10 0 CDAEMM C[C@@H](Cc1c[nH]cn1)C(=O)[N-]Oc1ccccc1F ZINC001637451218 1166757368 /nfs/dbraw/zinc/75/73/68/1166757368.db2.gz FDPXYTFHSNAHPD-VIFPVBQESA-N -1 1 263.272 1.838 10 0 CDAEMM O=C(c1cccc([O-])c1F)N1CCC2(CCO2)CC1 ZINC001638562767 1166854508 /nfs/dbraw/zinc/85/45/08/1166854508.db2.gz BTZQLCOONYMDDF-UHFFFAOYSA-N -1 1 265.284 1.926 10 0 CDAEMM O=C(COC(=O)C1=COCCC1)c1ccc([O-])cc1O ZINC001647083363 1168363289 /nfs/dbraw/zinc/36/32/89/1168363289.db2.gz POYDACLQCOYFGT-UHFFFAOYSA-N -1 1 278.260 1.518 10 0 CDAEMM CCOC(=O)c1c[n-]c(NC(=O)C=Cc2cccnc2)n1 ZINC001272342407 912892519 /nfs/dbraw/zinc/89/25/19/912892519.db2.gz QZLRVDFAVLRODH-AATRIKPKSA-N -1 1 286.291 1.633 10 0 CDAEMM Cc1cc([C@H]2CCCCN2Cc2n[nH]c(=O)[n-]2)n[nH]1 ZINC001176486755 914145434 /nfs/dbraw/zinc/14/54/34/914145434.db2.gz WNFKKBKOOXZWDA-SNVBAGLBSA-N -1 1 262.317 1.269 10 0 CDAEMM Cc1nonc1[N-]C(=O)c1cc(Cl)ncc1F ZINC001125764860 897882839 /nfs/dbraw/zinc/88/28/39/897882839.db2.gz VIHXTMWLQQXLNX-UHFFFAOYSA-N -1 1 256.624 1.818 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H]2COC[C@@H]21 ZINC001299171390 903408666 /nfs/dbraw/zinc/40/86/66/903408666.db2.gz NCPQIGQNUIBNIS-PWSUYJOCSA-N -1 1 265.284 1.782 10 0 CDAEMM CCc1cccc(NC(=O)CCc2nn[n-]n2)c1O ZINC001179614265 915903255 /nfs/dbraw/zinc/90/32/55/915903255.db2.gz QZKMBQBPLHKAHN-UHFFFAOYSA-N -1 1 261.285 1.039 10 0 CDAEMM O=C(Cc1nc[nH]n1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137573113 936366352 /nfs/dbraw/zinc/36/63/52/936366352.db2.gz XNACWBCLVUSPBB-UHFFFAOYSA-N -1 1 287.106 1.998 10 0 CDAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1cncc(F)c1 ZINC001139438607 936620723 /nfs/dbraw/zinc/62/07/23/936620723.db2.gz VYPHMQUCTUEMHY-UHFFFAOYSA-N -1 1 280.284 1.566 10 0 CDAEMM COC1(C(=O)Nc2ccc([O-])c(F)c2F)CCOCC1 ZINC001140656845 936735922 /nfs/dbraw/zinc/73/59/22/936735922.db2.gz FUEIUMWVJOARAH-UHFFFAOYSA-N -1 1 287.262 1.805 10 0 CDAEMM CC(=O)c1ncc(C(=O)[N-]c2nocc2C)s1 ZINC001128826880 922467936 /nfs/dbraw/zinc/46/79/36/922467936.db2.gz BTSVKUARRKPDOZ-UHFFFAOYSA-N -1 1 251.267 1.894 10 0 CDAEMM CCOC(=O)c1c[n-]c(NC(=O)C=C[C@H]2CCCO2)n1 ZINC000823814228 931358250 /nfs/dbraw/zinc/35/82/50/931358250.db2.gz HANZHHBMGUPJHI-VUHVRTRXSA-N -1 1 279.296 1.260 10 0 CDAEMM O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc([O-])cn1 ZINC001136915243 931474963 /nfs/dbraw/zinc/47/49/63/931474963.db2.gz AMCHFMXUVKFLGY-ZJUUUORDSA-N -1 1 250.298 1.068 10 0 CDAEMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000845969680 931940952 /nfs/dbraw/zinc/94/09/52/931940952.db2.gz ULEIGTDSNXYTBW-JGVFFNPUSA-N -1 1 295.792 1.139 10 0 CDAEMM O=C(NC[C@@H]1CSCCS1)c1ccc([O-])cn1 ZINC001411848681 932073352 /nfs/dbraw/zinc/07/33/52/932073352.db2.gz JPXFVPZTQBEOAB-SECBINFHSA-N -1 1 270.379 1.366 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC001412676717 932619940 /nfs/dbraw/zinc/61/99/40/932619940.db2.gz MOEKONDOPTWBAS-KGLIPLIRSA-N -1 1 295.310 1.551 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NC2([C@H](C)O)CC2)c1 ZINC001148495084 932726215 /nfs/dbraw/zinc/72/62/15/932726215.db2.gz HAKVVQREHBKTEZ-VIFPVBQESA-N -1 1 263.293 1.156 10 0 CDAEMM O=C(NN1CCCC1=O)c1c([O-])cnc2c(F)cccc21 ZINC001362312563 971146190 /nfs/dbraw/zinc/14/61/90/971146190.db2.gz RQZXMVXRUUOYRI-UHFFFAOYSA-N -1 1 289.266 1.347 10 0 CDAEMM Cn1[n-]c(CN[C@@H](Cc2ccccc2)c2ncco2)nc1=O ZINC001261545559 946168087 /nfs/dbraw/zinc/16/80/87/946168087.db2.gz GQGYHDHTGROZPN-LBPRGKRZSA-N -1 1 299.334 1.170 10 0 CDAEMM Cn1cc(CN[C@@H]2C=C[C@H](C(=O)[O-])C2)c(Cl)n1 ZINC001261762592 946267678 /nfs/dbraw/zinc/26/76/78/946267678.db2.gz YRHFKXSEVHTPAI-IONNQARKSA-N -1 1 255.705 1.192 10 0 CDAEMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cn[nH]c1 ZINC001362414012 971245916 /nfs/dbraw/zinc/24/59/16/971245916.db2.gz MKSNLVGVLPJVOG-ZETCQYMHSA-N -1 1 273.296 1.274 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@]2(C)CCCOC2)c1 ZINC001546222771 971254471 /nfs/dbraw/zinc/25/44/71/971254471.db2.gz ITUIXCBGTWMGNQ-HNNXBMFYSA-N -1 1 277.320 1.812 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CCS[C@@H]2COCC[C@@H]21 ZINC001362464420 971300921 /nfs/dbraw/zinc/30/09/21/971300921.db2.gz MFXWLGVIKCZZCZ-NWDGAFQWSA-N -1 1 280.349 1.134 10 0 CDAEMM O=C(NC[C@H](CO)CC1CCCC1)c1ccc([O-])cn1 ZINC001362582192 971425984 /nfs/dbraw/zinc/42/59/84/971425984.db2.gz GRYNXUXYAGKHOS-GFCCVEGCSA-N -1 1 278.352 1.706 10 0 CDAEMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1ccc([O-])cn1 ZINC001362759613 971595361 /nfs/dbraw/zinc/59/53/61/971595361.db2.gz KVGHFGVXPWIBRN-GFCCVEGCSA-N -1 1 284.315 1.780 10 0 CDAEMM O=C(N[C@@H]1CCc2[nH]cnc2C1)c1cccc(O)c1F ZINC001362802313 971630842 /nfs/dbraw/zinc/63/08/42/971630842.db2.gz ZDIDFWUXXKGZIB-MRVPVSSYSA-N -1 1 275.283 1.542 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCC1)C1CC2(CC2(F)F)C1 ZINC001362835754 971655012 /nfs/dbraw/zinc/65/50/12/971655012.db2.gz OLJFYJXOPGKOGD-UHFFFAOYSA-N -1 1 283.282 1.131 10 0 CDAEMM O=C(Nc1ccc(OC2COC2)cc1)c1cnncc1[O-] ZINC001362920512 971730738 /nfs/dbraw/zinc/73/07/38/971730738.db2.gz GNZYEWGMSIMRMA-UHFFFAOYSA-N -1 1 287.275 1.212 10 0 CDAEMM C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)c1ccc(F)c([O-])c1 ZINC001362963316 971766869 /nfs/dbraw/zinc/76/68/69/971766869.db2.gz YFPVBHLRBJJRQD-YWVKMMECSA-N -1 1 294.326 1.646 10 0 CDAEMM CC[C@@H](C)c1ncc(NC(=O)c2cnncc2[O-])cn1 ZINC001363030401 971826175 /nfs/dbraw/zinc/82/61/75/971826175.db2.gz UMRNCPXPNHXLCF-MRVPVSSYSA-N -1 1 273.296 1.738 10 0 CDAEMM O=C(Nc1ccc2c(c1)CCCC2=O)c1cnncc1[O-] ZINC001363124917 971907413 /nfs/dbraw/zinc/90/74/13/971907413.db2.gz QVDQZHORJYHILW-UHFFFAOYSA-N -1 1 283.287 1.954 10 0 CDAEMM CC/C(C)=C\C(=O)NC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001285635391 953559485 /nfs/dbraw/zinc/55/94/85/953559485.db2.gz NZSLNGVDIRDTEL-HIJJYWJESA-N -1 1 291.351 1.378 10 0 CDAEMM Cc1cccc2nc(CNC(=O)c3c[n-]ncc3=O)cn21 ZINC001293405773 954360258 /nfs/dbraw/zinc/36/02/58/954360258.db2.gz CVNDDNAASZNQRB-UHFFFAOYSA-N -1 1 283.291 1.068 10 0 CDAEMM CCC[C@@H](NC(=O)c1cc(C)c(F)cc1N)c1nn[n-]n1 ZINC001294421419 954505994 /nfs/dbraw/zinc/50/59/94/954505994.db2.gz BLEJKVSNPHEHAX-LLVKDONJSA-N -1 1 292.318 1.501 10 0 CDAEMM CCC[C@H](NC(=O)c1cc(C)c(F)cc1N)c1nn[n-]n1 ZINC001294421420 954507457 /nfs/dbraw/zinc/50/74/57/954507457.db2.gz BLEJKVSNPHEHAX-NSHDSACASA-N -1 1 292.318 1.501 10 0 CDAEMM CC(=O)CCN(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001295129215 954615088 /nfs/dbraw/zinc/61/50/88/954615088.db2.gz RIVKBMOXXRLABA-UHFFFAOYSA-N -1 1 263.293 1.564 10 0 CDAEMM Cc1sccc1CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001363275394 972043210 /nfs/dbraw/zinc/04/32/10/972043210.db2.gz GEFVLRKRVPULCF-UHFFFAOYSA-N -1 1 293.396 1.797 10 0 CDAEMM CC(C)(C)CC[C@H](CO)NC(=O)c1cnncc1[O-] ZINC001296990793 954926169 /nfs/dbraw/zinc/92/61/69/954926169.db2.gz KDZHYIZOGYUBHI-SECBINFHSA-N -1 1 267.329 1.099 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCC1)[C@H]1CCc2ccccc2C1 ZINC001364663248 954981132 /nfs/dbraw/zinc/98/11/32/954981132.db2.gz MWXHVBIBAXMKLJ-ZDUSSCGKSA-N -1 1 297.362 1.500 10 0 CDAEMM C[C@H]1COCC[C@H]1CNC(=O)c1cccc([O-])c1F ZINC001297525629 955046235 /nfs/dbraw/zinc/04/62/35/955046235.db2.gz HCVKRMLPIBXWME-UWVGGRQHSA-N -1 1 267.300 1.934 10 0 CDAEMM O=C(NCC1(CF)CCOCC1)C(=O)c1ccc([O-])cc1 ZINC001298049065 955115385 /nfs/dbraw/zinc/11/53/85/955115385.db2.gz SRKYJCPWNMCTGE-UHFFFAOYSA-N -1 1 295.310 1.457 10 0 CDAEMM CCCCC(=O)NC/C=C\CNC(=O)c1ncccc1[O-] ZINC001298264577 955159479 /nfs/dbraw/zinc/15/94/79/955159479.db2.gz LBYCJVDXDKJAKL-PLNGDYQASA-N -1 1 291.351 1.380 10 0 CDAEMM O=C(NCCO[C@H]1CCCCO1)c1ccc(F)c([O-])c1 ZINC001298691092 955228460 /nfs/dbraw/zinc/22/84/60/955228460.db2.gz VCMSROSQTKOKPP-ZDUSSCGKSA-N -1 1 283.299 1.804 10 0 CDAEMM O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1cncc([O-])c1 ZINC001363345514 972103414 /nfs/dbraw/zinc/10/34/14/972103414.db2.gz HQRPBRVODRSBTG-CQSZACIVSA-N -1 1 297.314 1.991 10 0 CDAEMM O=C([O-])/C=C\c1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)co1 ZINC001330056525 956254378 /nfs/dbraw/zinc/25/43/78/956254378.db2.gz RFIONJJFZLNRHF-SKXBYLJPSA-N -1 1 290.319 1.344 10 0 CDAEMM CC(C)C(=O)c1ccc(NC(=O)CCc2nn[n-]n2)cc1 ZINC001363465893 972188330 /nfs/dbraw/zinc/18/83/30/972188330.db2.gz WKEVUNMDYROQQM-UHFFFAOYSA-N -1 1 287.323 1.610 10 0 CDAEMM Cn1ncc(CNCc2ccc(Cl)nc2)c1C(=O)[O-] ZINC001332006877 957395738 /nfs/dbraw/zinc/39/57/38/957395738.db2.gz JLWRYFBFCLBKJT-UHFFFAOYSA-N -1 1 280.715 1.457 10 0 CDAEMM CC[C@H](CNC(=O)CC(C)=C(C)C)NCc1n[nH]c(=O)[n-]1 ZINC001495039661 972383816 /nfs/dbraw/zinc/38/38/16/972383816.db2.gz URUMVEHBBUUPCS-LLVKDONJSA-N -1 1 295.387 1.241 10 0 CDAEMM Cc1noc([C@@H]2CCCN(C(=O)c3ccc([O-])cn3)C2)n1 ZINC001433618427 960456578 /nfs/dbraw/zinc/45/65/78/960456578.db2.gz FDWLSMWDCAFBPS-SNVBAGLBSA-N -1 1 288.307 1.498 10 0 CDAEMM C[C@@H](COCC(F)(F)F)NC(=O)c1ccc([O-])cn1 ZINC001433628012 960468937 /nfs/dbraw/zinc/46/89/37/960468937.db2.gz VVQMOFOXZLSKLB-ZETCQYMHSA-N -1 1 278.230 1.484 10 0 CDAEMM O=C(NC1(c2ccc(F)cc2)CC1)c1cnncc1[O-] ZINC001433780949 960606952 /nfs/dbraw/zinc/60/69/52/960606952.db2.gz WWPMXAKMLYZOCT-UHFFFAOYSA-N -1 1 273.267 1.740 10 0 CDAEMM Cc1ncc(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)o1 ZINC001433930881 960775627 /nfs/dbraw/zinc/77/56/27/960775627.db2.gz HXMNUOIWYUEETJ-SECBINFHSA-N -1 1 292.295 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1.161 10 0 CDAEMM CC[C@H]1[C@@H](CO)CCN1C(=O)c1cccc2nn[nH]c21 ZINC000651072245 397807179 /nfs/dbraw/zinc/80/71/79/397807179.db2.gz HUHCGWCWXSEINT-SKDRFNHKSA-N -1 1 274.324 1.191 10 0 CDAEMM CN1CN(C(=O)c2ccc(Br)c([O-])c2)CC1=O ZINC000335843633 151067240 /nfs/dbraw/zinc/06/72/40/151067240.db2.gz BEYDZFQNFGAAIB-UHFFFAOYSA-N -1 1 299.124 1.026 10 0 CDAEMM O=c1nc(N[C@H]2C[C@H](Oc3ccccc3)C2)nc2[nH][n-]cc1-2 ZINC000664373176 413323906 /nfs/dbraw/zinc/32/39/06/413323906.db2.gz LTUKHGPNFSNWML-HOMQSWHASA-N -1 1 297.318 1.454 10 0 CDAEMM Cn1[n-]c(CSc2ncc3ccccn32)nc1=O ZINC000354315582 156382910 /nfs/dbraw/zinc/38/29/10/156382910.db2.gz IYIGOZLXEUNLQZ-UHFFFAOYSA-N -1 1 261.310 1.048 10 0 CDAEMM COC(=O)[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C1CC1 ZINC000358924299 158073896 /nfs/dbraw/zinc/07/38/96/158073896.db2.gz LQPCXISUHFDXED-SECBINFHSA-N -1 1 268.338 1.843 10 0 CDAEMM CCCS(=O)(=O)[N-]c1cn(C)nc1-c1ccccn1 ZINC000361973363 159027854 /nfs/dbraw/zinc/02/78/54/159027854.db2.gz CEPKQLMQXAEMGF-UHFFFAOYSA-N -1 1 280.353 1.634 10 0 CDAEMM Nc1n[n-]c(S(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000008015706 170313569 /nfs/dbraw/zinc/31/35/69/170313569.db2.gz RXRAQKJZROTOAR-UHFFFAOYSA-N -1 1 272.717 1.014 10 0 CDAEMM Nc1nc(S(=O)(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000008015706 170313570 /nfs/dbraw/zinc/31/35/70/170313570.db2.gz RXRAQKJZROTOAR-UHFFFAOYSA-N -1 1 272.717 1.014 10 0 CDAEMM Cc1ccccc1CN(C)C(=O)CN[C@H](C)C(=O)[O-] ZINC000035387603 172169859 /nfs/dbraw/zinc/16/98/59/172169859.db2.gz WFNRNWZUQUTKKW-LLVKDONJSA-N -1 1 264.325 1.016 10 0 CDAEMM N[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000656856337 413761544 /nfs/dbraw/zinc/76/15/44/413761544.db2.gz FEANNLNZEYWRSV-WCQGTBRESA-N -1 1 296.754 1.709 10 0 CDAEMM Cc1cc(=O)[n-]c(SCc2ccc(O)c(N)c2)n1 ZINC000037285713 173091936 /nfs/dbraw/zinc/09/19/36/173091936.db2.gz KJCUANUODFJCMM-UHFFFAOYSA-N -1 1 263.322 1.658 10 0 CDAEMM CC(C)[C@H](NC(=O)c1ncccc1[O-])C1(CO)CC=CC1 ZINC000655178242 414155749 /nfs/dbraw/zinc/15/57/49/414155749.db2.gz WHVSBVBZNYEGFR-AWEZNQCLSA-N -1 1 290.363 1.870 10 0 CDAEMM Cc1cc(C(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)on1 ZINC000040381564 174250743 /nfs/dbraw/zinc/25/07/43/174250743.db2.gz OCVXFIVTPNLOPY-UHFFFAOYSA-N -1 1 299.283 1.022 10 0 CDAEMM O=C([O-])CN1CCN(C(=O)N2CCCCCCC2)CC1 ZINC000040558010 174332840 /nfs/dbraw/zinc/33/28/40/174332840.db2.gz MVNLJLMOAXSNOC-UHFFFAOYSA-N -1 1 283.372 1.075 10 0 CDAEMM C[C@@H]1CCC[C@H](NC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000040571886 174338723 /nfs/dbraw/zinc/33/87/23/174338723.db2.gz CFGGTKZZUHMHAJ-SCVCMEIPSA-N -1 1 294.355 1.283 10 0 CDAEMM CC(C)N1CCN(C(=O)N2CCCC[C@H]2C(=O)[O-])CC1 ZINC000040582187 174345276 /nfs/dbraw/zinc/34/52/76/174345276.db2.gz CRVRWXNCFOPYQV-LBPRGKRZSA-N -1 1 283.372 1.072 10 0 CDAEMM CC[C@H](C)[C@H](NC(=O)N1CCN(C(C)C)CC1)C(=O)[O-] ZINC000040582191 174345384 /nfs/dbraw/zinc/34/53/84/174345384.db2.gz CFFLUJTVZKOKDR-RYUDHWBXSA-N -1 1 285.388 1.221 10 0 CDAEMM O=C([O-])CCN1CCN(C(=O)NCCC2CCCC2)CC1 ZINC000040602627 174351515 /nfs/dbraw/zinc/35/15/15/174351515.db2.gz ADOXXTVZCSMZIL-UHFFFAOYSA-N -1 1 297.399 1.369 10 0 CDAEMM CC(C)C[C@@H](NCC(=O)NC1CCCCCC1)C(=O)[O-] ZINC000043442574 175046652 /nfs/dbraw/zinc/04/66/52/175046652.db2.gz NZZZWLJRNRIXMG-CYBMUJFWSA-N -1 1 284.400 1.914 10 0 CDAEMM CC(C)C[C@@H](NCC(=O)Nc1ccccc1F)C(=O)[O-] ZINC000043443046 175046689 /nfs/dbraw/zinc/04/66/89/175046689.db2.gz AAQYIIARRBVXSU-GFCCVEGCSA-N -1 1 282.315 1.853 10 0 CDAEMM CCCCCNC(=O)[C@@H](C)N[C@H](CC(C)C)C(=O)[O-] ZINC000043443605 175047082 /nfs/dbraw/zinc/04/70/82/175047082.db2.gz MHSKXXCQKZUFLU-VXGBXAGGSA-N -1 1 272.389 1.770 10 0 CDAEMM CC(C)CCNC(=O)CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043585581 175071985 /nfs/dbraw/zinc/07/19/85/175071985.db2.gz DSILNWXJEMSNKG-ZDUSSCGKSA-N -1 1 284.400 1.726 10 0 CDAEMM Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)c(F)c1 ZINC000043592396 175074488 /nfs/dbraw/zinc/07/44/88/175074488.db2.gz VCJVSTXTAOBSBB-UHFFFAOYSA-N -1 1 272.223 1.249 10 0 CDAEMM CC[C@H](C(=O)[O-])N(C)C(=O)[C@H]1NCCc2ccccc21 ZINC000044625004 175221480 /nfs/dbraw/zinc/22/14/80/175221480.db2.gz PMCRBSHZNQEXIS-OLZOCXBDSA-N -1 1 276.336 1.195 10 0 CDAEMM C[C@H](NC(=O)c1c[nH]c2ccccc12)c1nn[n-]n1 ZINC000044885685 175270219 /nfs/dbraw/zinc/27/02/19/175270219.db2.gz ZIXAXTNNQDKOEV-ZETCQYMHSA-N -1 1 256.269 1.172 10 0 CDAEMM C[C@@H](NC(=O)c1cc2cc(N)ccc2s1)c1nn[n-]n1 ZINC000044884600 175270442 /nfs/dbraw/zinc/27/04/42/175270442.db2.gz IDEJLPGIIBLKEM-ZCFIWIBFSA-N -1 1 288.336 1.488 10 0 CDAEMM C[C@H](NCc1ccccc1OC(F)(F)F)c1nnn[n-]1 ZINC000044888905 175272233 /nfs/dbraw/zinc/27/22/33/175272233.db2.gz GZJGNRIHIPHTCX-ZETCQYMHSA-N -1 1 287.245 1.949 10 0 CDAEMM O=C(NCc1nn[n-]n1)c1csc(-c2ccsc2)n1 ZINC000044929164 175279180 /nfs/dbraw/zinc/27/91/80/175279180.db2.gz FYSMXWMHSKSROD-UHFFFAOYSA-N -1 1 292.349 1.315 10 0 CDAEMM CCn1c(CN)nnc1SCc1ccc(C(=O)[O-])o1 ZINC000071374922 176140821 /nfs/dbraw/zinc/14/08/21/176140821.db2.gz QMOCJGJQCCYCAX-UHFFFAOYSA-N -1 1 282.325 1.340 10 0 CDAEMM CC(C)C[C@H](CO)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000078771836 177384793 /nfs/dbraw/zinc/38/47/93/177384793.db2.gz KPDCOECLWBMZBF-SNVBAGLBSA-N -1 1 289.335 1.060 10 0 CDAEMM COc1cc(C(=O)N(C)[C@H](C)CCO)cc(Cl)c1[O-] ZINC000652965147 424022898 /nfs/dbraw/zinc/02/28/98/424022898.db2.gz RBKRKKBKFVAGFO-MRVPVSSYSA-N -1 1 287.743 1.897 10 0 CDAEMM COC[C@@H](CC(C)(C)C)NC(=O)c1cncc([O-])c1 ZINC000655305404 424401934 /nfs/dbraw/zinc/40/19/34/424401934.db2.gz PTVNDIWTLDTMFA-LLVKDONJSA-N -1 1 266.341 1.968 10 0 CDAEMM O=C(Nc1nc(SCCO)n[nH]1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245929495 280241202 /nfs/dbraw/zinc/24/12/02/280241202.db2.gz YEPSDCKVXXPULD-BRPSZJMVSA-N -1 1 282.369 1.264 10 0 CDAEMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1cccc(F)c1[O-] ZINC000530004291 281413064 /nfs/dbraw/zinc/41/30/64/281413064.db2.gz JJBZVJTXIXWUAA-JOYOIKCWSA-N -1 1 283.299 1.911 10 0 CDAEMM C[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccsc1 ZINC000532793292 282043418 /nfs/dbraw/zinc/04/34/18/282043418.db2.gz OJPVXARXVXPFAS-UWVGGRQHSA-N -1 1 291.380 1.771 10 0 CDAEMM O=C([C@H]1CC2CCC1CC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000560332053 293020606 /nfs/dbraw/zinc/02/06/06/293020606.db2.gz DFDIDBXYILIIRI-TYUFSLCMSA-N -1 1 289.383 1.732 10 0 CDAEMM O=c1cc(C[N@H+]2CC[C@H](OC(F)F)C2)nc(C2CC2)[nH]1 ZINC000562684238 293174254 /nfs/dbraw/zinc/17/42/54/293174254.db2.gz OVNKMLXFTRYUJX-JTQLQIEISA-N -1 1 285.294 1.873 10 0 CDAEMM Cc1nsc(C)c1CN1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000576408307 317133918 /nfs/dbraw/zinc/13/39/18/317133918.db2.gz BVLJNJNPGPMSFU-SNVBAGLBSA-N -1 1 293.396 1.963 10 0 CDAEMM Cc1nc(S(=O)(=O)[N-]CC2(C)CC2)sc1C ZINC000579310069 324151670 /nfs/dbraw/zinc/15/16/70/324151670.db2.gz KLMCTUAYSPMYEC-UHFFFAOYSA-N -1 1 260.384 1.838 10 0 CDAEMM O=C(N[C@@H]1CCNC(=O)CC1)c1ccc(Cl)cc1[O-] ZINC000396728473 482489243 /nfs/dbraw/zinc/48/92/43/482489243.db2.gz BVSGUBUISVHXTL-VIFPVBQESA-N -1 1 282.727 1.444 10 0 CDAEMM O=C1NC(=O)[C@]2(CCCN(Cc3cc4ccccc4[nH]3)C2)N1 ZINC000684028574 482609846 /nfs/dbraw/zinc/60/98/46/482609846.db2.gz XMZPGJQTKRSSNU-MRXNPFEDSA-N -1 1 298.346 1.342 10 0 CDAEMM O=C(c1ccc([O-])c(F)c1)N1CCC(OCCCO)CC1 ZINC000681056013 482675201 /nfs/dbraw/zinc/67/52/01/482675201.db2.gz SZEQEMOTQKBYEQ-UHFFFAOYSA-N -1 1 297.326 1.535 10 0 CDAEMM CO[C@H](C)c1nc(=N[C@H](C)[C@@H]2CCCOC2)s[n-]1 ZINC000389017427 482794702 /nfs/dbraw/zinc/79/47/02/482794702.db2.gz LMMSCRGPFFRGNG-OPRDCNLKSA-N -1 1 271.386 1.894 10 0 CDAEMM COC[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000685512146 483154738 /nfs/dbraw/zinc/15/47/38/483154738.db2.gz ZXYHUBFQINXAAB-RKDXNWHRSA-N -1 1 271.329 1.376 10 0 CDAEMM NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2c([O-])cccc2F)C1 ZINC000682516422 483264868 /nfs/dbraw/zinc/26/48/68/483264868.db2.gz DFYAAYKFFQLSJY-RKDXNWHRSA-N -1 1 280.299 1.762 10 0 CDAEMM COCc1n[n-]c(=N[C@H]2CN(C)Cc3ccccc32)s1 ZINC000534531041 483271674 /nfs/dbraw/zinc/27/16/74/483271674.db2.gz WDIOEXOQWMPSIZ-LBPRGKRZSA-N -1 1 290.392 1.705 10 0 CDAEMM O=C(c1cncc([O-])c1)N1CCC[C@H](OC(F)F)C1 ZINC000679726818 483430550 /nfs/dbraw/zinc/43/05/50/483430550.db2.gz WKWDWKTUMJYJJK-JTQLQIEISA-N -1 1 272.251 1.631 10 0 CDAEMM CCc1nc([C@@H](C)N=c2nc([C@@H](C)OC)[n-]s2)n[nH]1 ZINC000337868682 522409675 /nfs/dbraw/zinc/40/96/75/522409675.db2.gz MFABXEGECFZPAF-RNFRBKRXSA-N -1 1 282.373 1.521 10 0 CDAEMM C/C(=C\C(C)(C)C)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363701039 518434039 /nfs/dbraw/zinc/43/40/39/518434039.db2.gz MAAFJWBHUXDHDK-TTZKWOQHSA-N -1 1 279.344 1.092 10 0 CDAEMM CC(C)c1nc(CN2CCN(CCC(=O)[O-])CC2)cs1 ZINC000049277293 519863107 /nfs/dbraw/zinc/86/31/07/519863107.db2.gz HXBZIJFFAPYULE-UHFFFAOYSA-N -1 1 297.424 1.859 10 0 CDAEMM CC1(C)CC[C@H](CNC(=O)c2ncccc2[O-])O1 ZINC000187331177 520405440 /nfs/dbraw/zinc/40/54/40/520405440.db2.gz SVMSIWGKWMNEQV-SECBINFHSA-N -1 1 250.298 1.475 10 0 CDAEMM CCC[C@@H]1CC[C@@H](C(=O)[O-])[C@H](N2CCS(=O)CC2)C1 ZINC000062754261 520829275 /nfs/dbraw/zinc/82/92/75/520829275.db2.gz IHUPXGSCLAAMMX-JHJVBQTASA-N -1 1 287.425 1.720 10 0 CDAEMM CC[C@@H](C)N1CCN(C(=O)N(CC(=O)[O-])C2CC2)CC1 ZINC000055084339 522112709 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/nfs/dbraw/zinc/71/51/98/968715198.db2.gz JVJTXXLPJSIPCN-UHFFFAOYSA-N -1 1 292.726 1.807 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CCC[C@H](c2ncon2)C1 ZINC001456020958 968849170 /nfs/dbraw/zinc/84/91/70/968849170.db2.gz VQMQRFCWKDDVBX-VIFPVBQESA-N -1 1 274.280 1.190 10 0 CDAEMM C/C(=C(\F)C(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1)C1CC1 ZINC001528880435 968951867 /nfs/dbraw/zinc/95/18/67/968951867.db2.gz WRDNRYVKYVTWFJ-YWEFTTLKSA-N -1 1 293.346 1.634 10 0 CDAEMM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc([O-])cn3)[C@@H]2C1 ZINC001456558174 968996431 /nfs/dbraw/zinc/99/64/31/968996431.db2.gz ZEYKMAGQAJEGQK-MRGUHSIWSA-N -1 1 290.319 1.105 10 0 CDAEMM Cn1cc([C@@H](O)C(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC001456602009 969004829 /nfs/dbraw/zinc/00/48/29/969004829.db2.gz DUYUYKLZMVATDK-LLVKDONJSA-N -1 1 299.689 1.590 10 0 CDAEMM CSc1ncc(C(=O)N2C[C@@H](C)OCC[C@H]2C)c(=O)[n-]1 ZINC001457246565 969127312 /nfs/dbraw/zinc/12/73/12/969127312.db2.gz SNNPYHIDRYQWKA-RKDXNWHRSA-N -1 1 297.380 1.544 10 0 CDAEMM CN(C(=O)c1ccccc1C(F)F)c1nn[n-]n1 ZINC001532085867 969316699 /nfs/dbraw/zinc/31/66/99/969316699.db2.gz VYFCUQRQQWWMTL-UHFFFAOYSA-N -1 1 253.212 1.414 10 0 CDAEMM COC(=O)N1CCCN(C(=O)c2ccc(F)c([O-])c2)CC1 ZINC001464678514 969807568 /nfs/dbraw/zinc/80/75/68/969807568.db2.gz RYTJRDWEQKQWOT-UHFFFAOYSA-N -1 1 296.298 1.446 10 0 CDAEMM Cn1cnnc1[C@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001466601533 969977822 /nfs/dbraw/zinc/97/78/22/969977822.db2.gz QSHKISGVMGXTEH-SNVBAGLBSA-N -1 1 290.298 1.637 10 0 CDAEMM COC(=O)CC(=O)Nc1ccc(Br)c([O-])c1 ZINC001466899013 970010650 /nfs/dbraw/zinc/01/06/50/970010650.db2.gz UVDGLXWOYUZMIN-UHFFFAOYSA-N -1 1 288.097 1.656 10 0 CDAEMM CCc1nc(SC[C@@H]2CN(CC)C(=O)O2)[n-]c(=O)c1C ZINC000849922127 970014733 /nfs/dbraw/zinc/01/47/33/970014733.db2.gz YBBRFUGUAXSRBK-VIFPVBQESA-N -1 1 297.380 1.986 10 0 CDAEMM Cn1ccnc1[C@H]1CCCN(C(=O)c2ccc([O-])cn2)C1 ZINC001467620513 970082455 /nfs/dbraw/zinc/08/24/55/970082455.db2.gz MDJWDMKRAMEKFM-NSHDSACASA-N -1 1 286.335 1.541 10 0 CDAEMM C[C@H]1C[C@H](NC(=O)c2ccc([O-])cn2)c2nccn21 ZINC001468063817 970121751 /nfs/dbraw/zinc/12/17/51/970121751.db2.gz RHLPIMRYSVJGTJ-KWQFWETISA-N -1 1 258.281 1.420 10 0 CDAEMM CCOC(=O)c1nc(NC(=O)CC2CC2)[n-]c1Cl ZINC001361671082 970402148 /nfs/dbraw/zinc/40/21/48/970402148.db2.gz LBGCWYAXQQBLRU-UHFFFAOYSA-N -1 1 271.704 1.978 10 0 CDAEMM CN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(F)c([O-])c1 ZINC001361704790 970441961 /nfs/dbraw/zinc/44/19/61/970441961.db2.gz BDMFHBLHGPCRCZ-SNVBAGLBSA-N -1 1 298.339 1.135 10 0 CDAEMM COC(=O)c1ccc(C)c(NC(=O)c2cnncc2[O-])c1 ZINC001361709464 970446410 /nfs/dbraw/zinc/44/64/10/970446410.db2.gz FBNWIJPDFKQBLG-UHFFFAOYSA-N -1 1 287.275 1.530 10 0 CDAEMM O=C(NCC[N@@H+]1CCc2ccccc2C1)c1ccc(O)cn1 ZINC001361787624 970530224 /nfs/dbraw/zinc/53/02/24/970530224.db2.gz BSHFJPOYFIUCFY-UHFFFAOYSA-N -1 1 297.358 1.575 10 0 CDAEMM C[C@H](N(C)C(=O)CNC(=O)c1ncccc1[O-])C(C)(C)C ZINC001417626480 973212499 /nfs/dbraw/zinc/21/24/99/973212499.db2.gz RWSGIKVETQBRIG-JTQLQIEISA-N -1 1 293.367 1.410 10 0 CDAEMM O=C(NCCO[C@@H]1CC1(F)F)C(=O)c1ccc([O-])cc1 ZINC000618134095 342472364 /nfs/dbraw/zinc/47/23/64/342472364.db2.gz HXQFVQRJEUJGOE-SNVBAGLBSA-N -1 1 285.246 1.115 10 0 CDAEMM C[C@@]1(CCNC(=O)c2ncccc2[O-])CC1(F)F ZINC000618635088 349497632 /nfs/dbraw/zinc/49/76/32/349497632.db2.gz VDFGXYVAAZGTLS-LLVKDONJSA-N -1 1 256.252 1.952 10 0 CDAEMM O=C([O-])CCNc1nccc2cc3c(cc21)OCO3 ZINC000082766390 178280594 /nfs/dbraw/zinc/28/05/94/178280594.db2.gz RGJFTYLOELWEPA-UHFFFAOYSA-N -1 1 260.249 1.850 10 0 CDAEMM CCOc1cc(C(=O)N[C@H]2CCNC2=O)cc(Cl)c1[O-] ZINC000616970601 342596301 /nfs/dbraw/zinc/59/63/01/342596301.db2.gz CGYVEUGFNCZGCT-VIFPVBQESA-N -1 1 298.726 1.063 10 0 CDAEMM CC(=O)[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000083152712 178342268 /nfs/dbraw/zinc/34/22/68/178342268.db2.gz ZTQJAGGHVRSNJT-ZCFIWIBFSA-N -1 1 286.125 1.862 10 0 CDAEMM COC1CC(CCNC(=O)c2ncccc2[O-])C1 ZINC000617031873 342612933 /nfs/dbraw/zinc/61/29/33/342612933.db2.gz RBMHKBUVPQFOHY-UHFFFAOYSA-N -1 1 250.298 1.332 10 0 CDAEMM CCOC(=O)c1cnc(C(C)=Cc2cn[nH]c2)[n-]c1=O ZINC000618942120 349561020 /nfs/dbraw/zinc/56/10/20/349561020.db2.gz VQNKXKICQZJMNJ-YWEYNIOJSA-N -1 1 274.280 1.643 10 0 CDAEMM O=C(N[C@@H]1C[C@@H](O)C12CCC2)c1ncc2ccccc2c1[O-] ZINC000619074413 349615920 /nfs/dbraw/zinc/61/59/20/349615920.db2.gz YTBMMSWOGGTICA-CHWSQXEVSA-N -1 1 298.342 1.974 10 0 CDAEMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H](O)C1CCC1 ZINC000629380903 361882820 /nfs/dbraw/zinc/88/28/20/361882820.db2.gz ZMTRJWSIXUNTLR-AWEZNQCLSA-N -1 1 287.319 1.677 10 0 CDAEMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ccc([O-])c(F)c1 ZINC000619076086 349617630 /nfs/dbraw/zinc/61/76/30/349617630.db2.gz UHZGOQLEZCCRHS-NWDGAFQWSA-N -1 1 265.284 1.565 10 0 CDAEMM Cc1ccc2c([O-])c(C(=O)N(C)CCCO)cnc2n1 ZINC000351836153 361989886 /nfs/dbraw/zinc/98/98/86/361989886.db2.gz PLOUHVNFXOVRBT-UHFFFAOYSA-N -1 1 275.308 1.098 10 0 CDAEMM Cc1ccc2c(=O)c(C(=O)N(C)CCCO)c[n-]c2n1 ZINC000351836153 361989890 /nfs/dbraw/zinc/98/98/90/361989890.db2.gz PLOUHVNFXOVRBT-UHFFFAOYSA-N -1 1 275.308 1.098 10 0 CDAEMM O=C(c1cc(F)ccc1[O-])N1CCC(C2(O)CC2)CC1 ZINC000652662589 539042324 /nfs/dbraw/zinc/04/23/24/539042324.db2.gz WJJXMZBVRFUXAE-UHFFFAOYSA-N -1 1 279.311 1.908 10 0 CDAEMM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)c(F)c1 ZINC000588679115 342219359 /nfs/dbraw/zinc/21/93/59/342219359.db2.gz ZOCDPPBPDLJZGI-SFYZADRCSA-N -1 1 291.319 1.908 10 0 CDAEMM NCc1nnn(C2CCC(F)(F)CC2)c1C(=O)[O-] ZINC000675054071 539069293 /nfs/dbraw/zinc/06/92/93/539069293.db2.gz SZVITAAZHOBJEW-UHFFFAOYSA-N -1 1 260.244 1.185 10 0 CDAEMM Cc1[nH]n(C)c(=O)c1-c1ccc(F)c(C(=O)[O-])c1 ZINC000675054478 539069484 /nfs/dbraw/zinc/06/94/84/539069484.db2.gz QURDQJOLBBZLHI-UHFFFAOYSA-N -1 1 250.229 1.938 10 0 CDAEMM O=C(N=c1ccc([O-])n[nH]1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000622847182 342261171 /nfs/dbraw/zinc/26/11/71/342261171.db2.gz LDBPYVYCXBZMDB-HTQZYQBOSA-N -1 1 289.257 1.911 10 0 CDAEMM O=C(N=c1ccc(O)n[n-]1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000622847182 342261172 /nfs/dbraw/zinc/26/11/72/342261172.db2.gz LDBPYVYCXBZMDB-HTQZYQBOSA-N -1 1 289.257 1.911 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)[C@@H]3CCC[C@H]4C[C@H]43)nc2n1 ZINC000622870016 342263668 /nfs/dbraw/zinc/26/36/68/342263668.db2.gz OXVKWIMYYFMKID-IVZWLZJFSA-N -1 1 287.323 1.101 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)C[C@@H]3CC[C@@H]4C[C@@H]43)nc2n1 ZINC000622869773 342263748 /nfs/dbraw/zinc/26/37/48/342263748.db2.gz FWCLTDCYYLNFDE-UTLUCORTSA-N -1 1 287.323 1.101 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccoc3C3CC3)nc2n1 ZINC000622869897 342263750 /nfs/dbraw/zinc/26/37/50/342263750.db2.gz KXBQCOGNCXDEFO-UHFFFAOYSA-N -1 1 299.290 1.449 10 0 CDAEMM Cc1cc(=O)n2[n-]c(NC(=O)C[C@@H]3CC[C@H](C)C3)nc2n1 ZINC000622871304 342264064 /nfs/dbraw/zinc/26/40/64/342264064.db2.gz XPUBFBVJLDKEOP-WCBMZHEXSA-N -1 1 289.339 1.491 10 0 CDAEMM CCCc1cc(=O)n2[n-]c(NC(=O)[C@@H]3C[C@H]3CC)nc2n1 ZINC000622997960 342275193 /nfs/dbraw/zinc/27/51/93/342275193.db2.gz RREFHAPOISSMCP-PSASIEDQSA-N -1 1 289.339 1.355 10 0 CDAEMM Cc1oc(C2CC2)nc1C(=O)[N-]c1nncs1 ZINC000551944567 290030218 /nfs/dbraw/zinc/03/02/18/290030218.db2.gz DEWKOQGSVUWIAK-UHFFFAOYSA-N -1 1 250.283 1.964 10 0 CDAEMM COC(=O)c1oc(S(=O)(=O)[N-]CC[C@H](C)F)cc1C ZINC000595334226 343029006 /nfs/dbraw/zinc/02/90/06/343029006.db2.gz NXRKGDGNWPBWHD-QMMMGPOBSA-N -1 1 293.316 1.401 10 0 CDAEMM O=S(=O)(CC[C@H]1CCOC1)[N-][C@@H]1CCCC1(F)F ZINC000645087308 362106052 /nfs/dbraw/zinc/10/60/52/362106052.db2.gz YHAQSCSRYIRLSN-NXEZZACHSA-N -1 1 283.340 1.520 10 0 CDAEMM COc1cncc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000629491309 362103135 /nfs/dbraw/zinc/10/31/35/362103135.db2.gz PRUVYYKGQYCKSG-VHSXEESVSA-N -1 1 265.313 1.170 10 0 CDAEMM CC(C)(C)CNC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000629491060 362106396 /nfs/dbraw/zinc/10/63/96/362106396.db2.gz ODMGSHVCIRWSJJ-UHFFFAOYSA-N -1 1 270.373 1.335 10 0 CDAEMM COC(=O)CN(C(=O)c1cncc([O-])c1)C1CCCCC1 ZINC000598003534 343695205 /nfs/dbraw/zinc/69/52/05/343695205.db2.gz HLIJXRDPJRDKQQ-UHFFFAOYSA-N -1 1 292.335 1.735 10 0 CDAEMM CCOc1cc(C(=O)[N-]c2nnc(C3CC3)n2C)on1 ZINC000617282638 345122316 /nfs/dbraw/zinc/12/23/16/345122316.db2.gz CWBZATJNKNIDQR-UHFFFAOYSA-N -1 1 277.284 1.332 10 0 CDAEMM Cc1cnc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c([O-])c1 ZINC000617445435 345540525 /nfs/dbraw/zinc/54/05/25/345540525.db2.gz SATIRHPVQLYVFB-IUCAKERBSA-N -1 1 273.296 1.123 10 0 CDAEMM Cc1c(C(=O)Nc2c([O-])cccc2F)nnn1C ZINC000608367466 345738025 /nfs/dbraw/zinc/73/80/25/345738025.db2.gz ZQLOCTDXAHAMBU-UHFFFAOYSA-N -1 1 250.233 1.221 10 0 CDAEMM Cc1cc([N-]S(=O)(=O)c2c[nH]c3ccc(N)cc32)[nH]n1 ZINC000085378272 179044993 /nfs/dbraw/zinc/04/49/93/179044993.db2.gz WIZAHJWABWDKAI-UHFFFAOYSA-N -1 1 291.336 1.582 10 0 CDAEMM COC(=O)c1cc(C(=O)[N-]c2ncc(C(C)=O)s2)on1 ZINC000611488006 346801523 /nfs/dbraw/zinc/80/15/23/346801523.db2.gz SFLQEFPFUKUDJA-UHFFFAOYSA-N -1 1 295.276 1.373 10 0 CDAEMM C[C@H](CN(C)C(=O)[C@H]1CCCC2(CC2)C1)c1nn[n-]n1 ZINC000613473481 347751372 /nfs/dbraw/zinc/75/13/72/347751372.db2.gz ADTGKLVUPOKPIL-MNOVXSKESA-N -1 1 277.372 1.732 10 0 CDAEMM C[C@H](CN(C)C(=O)C1CCC(C2CC2)CC1)c1nn[n-]n1 ZINC000613476720 347754841 /nfs/dbraw/zinc/75/48/41/347754841.db2.gz ZCNAXTISXAIRDV-QFWMXSHPSA-N -1 1 291.399 1.978 10 0 CDAEMM C[C@]1(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)C[C@H]2C[C@H]2C1 ZINC000614473759 348121374 /nfs/dbraw/zinc/12/13/74/348121374.db2.gz KXNFPMGJJSEDMM-HBYGRHMLSA-N -1 1 291.351 1.917 10 0 CDAEMM CCOC1(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)CCC1 ZINC000614387640 348097249 /nfs/dbraw/zinc/09/72/49/348097249.db2.gz BVRJCTVLMHVOOI-JTQLQIEISA-N -1 1 295.339 1.440 10 0 CDAEMM CC(C)c1nc(=NCC2(CF)CCOCC2)o[n-]1 ZINC000450735192 362879610 /nfs/dbraw/zinc/87/96/10/362879610.db2.gz ZGQYUTWZPGNLOL-UHFFFAOYSA-N -1 1 257.309 1.793 10 0 CDAEMM COc1cc(C(=O)N2CCOCCN2)cc(Cl)c1[O-] ZINC000615489100 348557193 /nfs/dbraw/zinc/55/71/93/348557193.db2.gz SIMLWNCMORCKRF-UHFFFAOYSA-N -1 1 286.715 1.031 10 0 CDAEMM Cc1cnc(C(=O)N2CCC[C@@H]2c2cn[nH]c2)c([O-])c1 ZINC000615895306 348960613 /nfs/dbraw/zinc/96/06/13/348960613.db2.gz MVJQNNONKUNJDE-LLVKDONJSA-N -1 1 272.308 1.796 10 0 CDAEMM CCC(CC)[C@@H](C)[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000104448372 186005602 /nfs/dbraw/zinc/00/56/02/186005602.db2.gz XBHXSGCETKICCO-SSDOTTSWSA-N -1 1 292.426 1.848 10 0 CDAEMM O=C(C[C@@H]1CCC(=O)NC1)Nc1ccc(F)cc1[O-] ZINC000622467445 351180923 /nfs/dbraw/zinc/18/09/23/351180923.db2.gz TYBLVPOUCFEVAT-QMMMGPOBSA-N -1 1 266.272 1.386 10 0 CDAEMM Cc1ncc([C@H](C)N=c2[n-]c(C(N)=O)cs2)s1 ZINC000631473532 363048705 /nfs/dbraw/zinc/04/87/05/363048705.db2.gz ZEVFMTSCPNDJPP-YFKPBYRVSA-N -1 1 268.367 1.602 10 0 CDAEMM C[C@@H]1CCC[C@@H](C)N(C(=O)CCc2nn[n-]n2)C1 ZINC000631480655 363173781 /nfs/dbraw/zinc/17/37/81/363173781.db2.gz QMRCUNLAIKNHPU-NXEZZACHSA-N -1 1 251.334 1.169 10 0 CDAEMM CNc1ccc(C)cc1C(=O)N[C@@H](C)c1nn[n-]n1 ZINC000053003874 522603567 /nfs/dbraw/zinc/60/35/67/522603567.db2.gz XEDUFZFCVCGHAW-QMMMGPOBSA-N -1 1 260.301 1.041 10 0 CDAEMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2nccn2C2CC2)C1 ZINC000711751104 781933050 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368825874 /nfs/dbraw/zinc/82/58/74/368825874.db2.gz RRMNOUFQUQNARK-UHFFFAOYSA-N -1 1 291.258 1.622 10 0 CDAEMM CO[C@@H](C)c1nc(=NC2CCN(OC)CC2)s[n-]1 ZINC000420635296 244301156 /nfs/dbraw/zinc/30/11/56/244301156.db2.gz MBCFUSIWVBAWTN-QMMMGPOBSA-N -1 1 272.374 1.105 10 0 CDAEMM O=C(NC12CCC(CC1)C2)c1nc2ccccc2c(=O)[n-]1 ZINC000368431998 369475392 /nfs/dbraw/zinc/47/53/92/369475392.db2.gz HPXXRKQCVVOCDB-UHFFFAOYSA-N -1 1 283.331 1.986 10 0 CDAEMM CC[C@](C)(O)CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000135153800 369640480 /nfs/dbraw/zinc/64/04/80/369640480.db2.gz QBCPBYDIMGDYIH-ZDUSSCGKSA-N -1 1 287.743 1.945 10 0 CDAEMM COc1cc(C(=O)N[C@@H](C)c2nc[nH]n2)cc(Cl)c1[O-] ZINC000135154537 369640613 /nfs/dbraw/zinc/64/06/13/369640613.db2.gz QFGWVXIXTUHAEG-LURJTMIESA-N -1 1 296.714 1.663 10 0 CDAEMM CCOCC[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000330963402 203423337 /nfs/dbraw/zinc/42/33/37/203423337.db2.gz CUUHXTIRGUWGNS-UHFFFAOYSA-N -1 1 264.372 1.075 10 0 CDAEMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F 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CC(C)[C@H]1C[C@H](CNc2nc3[nH][n-]cc-3c(=O)n2)CCO1 ZINC000567558605 371031669 /nfs/dbraw/zinc/03/16/69/371031669.db2.gz ARVDYSJNGGKOHL-MWLCHTKSSA-N -1 1 291.355 1.295 10 0 CDAEMM CCSc1ccccc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000572665650 371270993 /nfs/dbraw/zinc/27/09/93/371270993.db2.gz UMNNCUJDONDQMB-UHFFFAOYSA-N -1 1 289.364 1.731 10 0 CDAEMM Cc1c(CN(C)C(=O)c2c(F)ccc([O-])c2F)cnn1C ZINC000573289233 371487463 /nfs/dbraw/zinc/48/74/63/371487463.db2.gz WKARTPSOLSRXOA-UHFFFAOYSA-N -1 1 295.289 1.985 10 0 CDAEMM CO[C@@H](C)c1nc(=NC[C@@H](CO)C(C)C)s[n-]1 ZINC000343759301 371989448 /nfs/dbraw/zinc/98/94/48/371989448.db2.gz HPXBCIICEIWALN-IUCAKERBSA-N -1 1 259.375 1.344 10 0 CDAEMM NC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC000177412650 372102449 /nfs/dbraw/zinc/10/24/49/372102449.db2.gz LUTAHNPDMLKVAJ-WCBMZHEXSA-N -1 1 296.754 1.820 10 0 CDAEMM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)CCc1nn[n-]n1 ZINC000630914785 373341684 /nfs/dbraw/zinc/34/16/84/373341684.db2.gz AEMHSHYKFLACGE-NWDGAFQWSA-N -1 1 279.388 1.853 10 0 CDAEMM CCC[C@@H](NC(=O)CCc1nn[n-]n1)c1ccccn1 ZINC000630926760 373393300 /nfs/dbraw/zinc/39/33/00/373393300.db2.gz BFHFYPAZTWITBM-LLVKDONJSA-N -1 1 274.328 1.185 10 0 CDAEMM O=C([O-])c1coc(CN(CC2CC2)CC2CC2)n1 ZINC000387386169 373555862 /nfs/dbraw/zinc/55/58/62/373555862.db2.gz JRIQLRLYLKFWBE-UHFFFAOYSA-N -1 1 250.298 1.995 10 0 CDAEMM C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123672560 374705479 /nfs/dbraw/zinc/70/54/79/374705479.db2.gz NMYHLCSGVSHBIG-JTQLQIEISA-N -1 1 252.289 1.307 10 0 CDAEMM C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(F)cc2O)C1 ZINC000123672338 374705675 /nfs/dbraw/zinc/70/56/75/374705675.db2.gz NMYHLCSGVSHBIG-SNVBAGLBSA-N -1 1 252.289 1.307 10 0 CDAEMM CC[C@@H](C[C@H](C)CO)NC(=O)c1ncc(C)cc1[O-] ZINC000427763881 247188526 /nfs/dbraw/zinc/18/85/26/247188526.db2.gz KMCRTLDHRGOLQG-QWRGUYRKSA-N -1 1 266.341 1.623 10 0 CDAEMM COCC[C@H](COC)NC(=O)c1c(F)ccc([O-])c1F ZINC000427607096 247165116 /nfs/dbraw/zinc/16/51/16/247165116.db2.gz RCLURDWBZCMJOY-MRVPVSSYSA-N 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377730710 /nfs/dbraw/zinc/73/07/10/377730710.db2.gz UCFQBYSWRSRSMM-SVRRBLITSA-N -1 1 287.259 1.178 10 0 CDAEMM CC(C)[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000632678098 377733660 /nfs/dbraw/zinc/73/36/60/377733660.db2.gz VBHHMQUZRKVUHT-SNVBAGLBSA-N -1 1 251.334 1.027 10 0 CDAEMM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cnccn2)sn1 ZINC000632730575 377804554 /nfs/dbraw/zinc/80/45/54/377804554.db2.gz OQYIFAKTKMKSHG-QMMMGPOBSA-N -1 1 284.366 1.281 10 0 CDAEMM O=C(CCc1nn[n-]n1)Nc1nc(C2CCC2)cs1 ZINC000632770358 377843321 /nfs/dbraw/zinc/84/33/21/377843321.db2.gz QLVFNJWZBJKTCW-UHFFFAOYSA-N -1 1 278.341 1.495 10 0 CDAEMM COc1cncc(C(=O)Nc2c(C)[n-][nH]c2=O)c1C ZINC000633189921 378189796 /nfs/dbraw/zinc/18/97/96/378189796.db2.gz FWARAKJVUFBUFY-UHFFFAOYSA-N -1 1 262.269 1.388 10 0 CDAEMM O=C(CCc1nn[n-]n1)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC000633635198 378622665 /nfs/dbraw/zinc/62/26/65/378622665.db2.gz GGOBORDAYKKYSU-GXSJLCMTSA-N -1 1 291.742 1.458 10 0 CDAEMM C/C=C/C[C@@H]1CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000633698704 378702137 /nfs/dbraw/zinc/70/21/37/378702137.db2.gz GAZKGLSUQSEXTR-KXMPLOMGSA-N -1 1 263.345 1.337 10 0 CDAEMM CS[C@H]1CCN(C(=O)c2ncc(C)cc2[O-])C1 ZINC000334572300 379066061 /nfs/dbraw/zinc/06/60/61/379066061.db2.gz NQWRCGHIXDWABY-VIFPVBQESA-N -1 1 252.339 1.673 10 0 CDAEMM CC[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCc2[nH]ncc21 ZINC000653343257 412947155 /nfs/dbraw/zinc/94/71/55/412947155.db2.gz RIIUPFCIMJBZPP-KWQFWETISA-N -1 1 265.313 1.151 10 0 CDAEMM CC[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@]2(CCOC2)O1 ZINC000366513540 412963002 /nfs/dbraw/zinc/96/30/02/412963002.db2.gz HCNVBDYNVNWASY-ABAIWWIYSA-N -1 1 292.335 1.197 10 0 CDAEMM C[C@]1(c2nc(-c3ccc([O-])c(F)c3)no2)CCC(=O)NC1 ZINC000289199075 197261012 /nfs/dbraw/zinc/26/10/12/197261012.db2.gz YCFWVADAOOJYDY-AWEZNQCLSA-N -1 1 291.282 1.749 10 0 CDAEMM C[C@H](CNc1nc(N)nc2c1CCCC2)C(=O)[O-] ZINC000656091980 413015399 /nfs/dbraw/zinc/01/53/99/413015399.db2.gz IGJHRWYSBKGPKM-SSDOTTSWSA-N -1 1 250.302 1.070 10 0 CDAEMM CC(C)[C@@H](CNc1nc(N)nc2c1CCCC2)C(=O)[O-] ZINC000656093497 413018726 /nfs/dbraw/zinc/01/87/26/413018726.db2.gz WDYJDDBJMIANKS-SNVBAGLBSA-N -1 1 278.356 1.706 10 0 CDAEMM Cc1nnsc1[C@H](C)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000930282989 781977658 /nfs/dbraw/zinc/97/76/58/781977658.db2.gz BYJPQNPHIHGRIZ-QMMMGPOBSA-N -1 1 294.384 1.611 10 0 CDAEMM CC(C)(C)[C@@H]1CCN(C(=O)c2cncc([O-])c2)C[C@H]1O ZINC000273576053 391327030 /nfs/dbraw/zinc/32/70/30/391327030.db2.gz JNNBMFGDOGJBTK-CHWSQXEVSA-N -1 1 278.352 1.656 10 0 CDAEMM CC1(C)CCC[C@](O)(CNC(=O)c2cncc([O-])c2)C1 ZINC000355021639 391439641 /nfs/dbraw/zinc/43/96/41/391439641.db2.gz KMVGBFCGYKQMHD-OAHLLOKOSA-N -1 1 278.352 1.848 10 0 CDAEMM C[C@H](Sc1ccccc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357064705 391499391 /nfs/dbraw/zinc/49/93/91/391499391.db2.gz CQTUPGZSOOVXLI-VIFPVBQESA-N -1 1 289.364 1.486 10 0 CDAEMM CCC(F)(F)C(C)(C)CN=c1ccc(C(=O)NC)n[n-]1 ZINC000528183198 391636821 /nfs/dbraw/zinc/63/68/21/391636821.db2.gz WNVXMXYKYGSZMR-UHFFFAOYSA-N -1 1 286.326 1.742 10 0 CDAEMM CSc1nnc(CNC(=O)c2ncc(C)cc2[O-])s1 ZINC000438634383 391953022 /nfs/dbraw/zinc/95/30/22/391953022.db2.gz IVGVRLVMYZXEDY-UHFFFAOYSA-N -1 1 296.377 1.599 10 0 CDAEMM CO[C@@H]1COCC[C@H]1CC(=O)Nc1c([O-])cccc1F ZINC000648940534 392211002 /nfs/dbraw/zinc/21/10/02/392211002.db2.gz IIPYYTUHGSOJJB-JOYOIKCWSA-N -1 1 283.299 1.911 10 0 CDAEMM CC[C@H](O)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000440588161 392214637 /nfs/dbraw/zinc/21/46/37/392214637.db2.gz JVCZBCNPONQIMT-JTQLQIEISA-N -1 1 289.335 1.204 10 0 CDAEMM Cc1cc2c[nH]nc2c(C(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000263415450 131292402 /nfs/dbraw/zinc/29/24/02/131292402.db2.gz HSNQEKFORCNELQ-OAHLLOKOSA-N -1 1 287.319 1.951 10 0 CDAEMM Cc1o[n-]c(=N)c1S(=O)(=O)NCC1CCC(F)CC1 ZINC000645859598 392397216 /nfs/dbraw/zinc/39/72/16/392397216.db2.gz ZFTRULFJCDULKX-UHFFFAOYSA-N -1 1 291.348 1.202 10 0 CDAEMM Cc1onc(N)c1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000645859598 392397222 /nfs/dbraw/zinc/39/72/22/392397222.db2.gz 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/nfs/dbraw/zinc/33/60/59/393336059.db2.gz SVYVTFANNPUXFI-IUCAKERBSA-N -1 1 290.410 1.198 10 0 CDAEMM CO[C@H](C)[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000189245167 140109752 /nfs/dbraw/zinc/10/97/52/140109752.db2.gz MGUCJLVOIOWPCD-DTWKUNHWSA-N -1 1 275.308 1.076 10 0 CDAEMM CO[C@H](C)C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000190747704 140131027 /nfs/dbraw/zinc/13/10/27/140131027.db2.gz NONYIYSJIOMVRE-SSDOTTSWSA-N -1 1 281.736 1.792 10 0 CDAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC(F)(F)C1 ZINC000650360439 397903989 /nfs/dbraw/zinc/90/39/89/397903989.db2.gz BKZHMFNYGFAIEO-UHFFFAOYSA-N -1 1 293.273 1.794 10 0 CDAEMM CCC[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCC1)c1nn[n-]n1 ZINC000651462188 398039913 /nfs/dbraw/zinc/03/99/13/398039913.db2.gz SXHWPRLIHUPSBB-UTUOFQBUSA-N -1 1 277.372 1.983 10 0 CDAEMM O=C(NCc1c[nH]nn1)c1cc(F)cc(Cl)c1[O-] ZINC000676168935 483427905 /nfs/dbraw/zinc/42/79/05/483427905.db2.gz SHVWHFKUPFLEEK-UHFFFAOYSA-N -1 1 270.651 1.233 10 0 CDAEMM COc1cc(C(=O)N(C)CCC(N)=O)cc(Cl)c1[O-] ZINC000343496868 152203168 /nfs/dbraw/zinc/20/31/68/152203168.db2.gz XECFNMIXBBQDBJ-UHFFFAOYSA-N -1 1 286.715 1.002 10 0 CDAEMM Cn1[n-]c(CSc2nnc(-c3cccs3)o2)nc1=O ZINC000354308909 156380512 /nfs/dbraw/zinc/38/05/12/156380512.db2.gz UPNDDTXOFKNGSL-UHFFFAOYSA-N -1 1 295.349 1.512 10 0 CDAEMM CCC[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)c1nn[n-]n1 ZINC000362949843 159274557 /nfs/dbraw/zinc/27/45/57/159274557.db2.gz UICBBNVDBZJLQO-ZJUUUORDSA-N -1 1 283.376 1.344 10 0 CDAEMM Cn1ncc(C2CC2)c1/C=C\c1cc(=O)n2[n-]cnc2n1 ZINC000656612912 413495989 /nfs/dbraw/zinc/49/59/89/413495989.db2.gz ONJYQHMPCHKPBA-PLNGDYQASA-N -1 1 282.307 1.199 10 0 CDAEMM Cc1ccc(F)cc1NC(=O)CN[C@@H](C)C(=O)[O-] ZINC000035387149 172168674 /nfs/dbraw/zinc/16/86/74/172168674.db2.gz ZZUOJTXZNYZGNQ-QMMMGPOBSA-N -1 1 254.261 1.135 10 0 CDAEMM CC(C)C[C@@H](C)NC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000040573368 174339910 /nfs/dbraw/zinc/33/99/10/174339910.db2.gz SWEIGKYRHZIRKZ-MWLCHTKSSA-N -1 1 282.344 1.139 10 0 CDAEMM CC(C)C[C@H](NCC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000043442612 175046796 /nfs/dbraw/zinc/04/67/96/175046796.db2.gz LZDGNEDQXJQVSC-ZDUSSCGKSA-N -1 1 296.342 1.531 10 0 CDAEMM CC(C)C[C@H](NCC(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000043442555 175046923 /nfs/dbraw/zinc/04/69/23/175046923.db2.gz ZGUVWCPIWDWTKH-OCCSQVGLSA-N -1 1 292.379 1.953 10 0 CDAEMM Cc1cc(=O)[n-]c(Sc2nccnc2Cl)n1 ZINC000043538467 175063906 /nfs/dbraw/zinc/06/39/06/175063906.db2.gz DDGVLVUPJBLELJ-UHFFFAOYSA-N -1 1 254.702 1.673 10 0 CDAEMM NC(=O)[C@H]1CCCN1Cc1sccc1/C=C/C(=O)[O-] ZINC000043685375 175093775 /nfs/dbraw/zinc/09/37/75/175093775.db2.gz LFLBWAZUVVZHLQ-HMDXOVGESA-N -1 1 280.349 1.296 10 0 CDAEMM C[C@@H](NC(=O)CCSc1ccc(F)cc1)c1nn[n-]n1 ZINC000044886939 175270732 /nfs/dbraw/zinc/27/07/32/175270732.db2.gz FKQFYPNOKCKVAR-MRVPVSSYSA-N -1 1 295.343 1.698 10 0 CDAEMM COc1ccc(CN[C@@H](C)c2nn[n-]n2)c(OC)c1OC ZINC000044888078 175271582 /nfs/dbraw/zinc/27/15/82/175271582.db2.gz IFKZYNPEEBXQQM-QMMMGPOBSA-N -1 1 293.327 1.076 10 0 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Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H](C)CO3)n2)o1 ZINC000897004817 620339697 /nfs/dbraw/zinc/33/96/97/620339697.db2.gz JRFHZYLMTSGWCG-GMSGAONNSA-N -1 1 276.296 1.737 10 0 CDAEMM CCC(CC)(NC(=O)[C@@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000909615215 620512195 /nfs/dbraw/zinc/51/21/95/620512195.db2.gz YRNKQDIOSUTOCU-SECBINFHSA-N -1 1 279.340 1.274 10 0 CDAEMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCc2nc[nH]c2C1 ZINC000898574283 621799211 /nfs/dbraw/zinc/79/92/11/621799211.db2.gz AKLYVBDVJJCYHY-VIFPVBQESA-N -1 1 275.283 1.764 10 0 CDAEMM C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)c1cc(=O)[nH][n-]1 ZINC000898876533 621903975 /nfs/dbraw/zinc/90/39/75/621903975.db2.gz YZFXOHDUTGJXAM-HRDYMLBCSA-N -1 1 253.302 1.108 10 0 CDAEMM C[C@@H](NC(=O)[C@H]1CCCCS1)c1cc(=O)[nH][n-]1 ZINC000898875294 621918615 /nfs/dbraw/zinc/91/86/15/621918615.db2.gz KBZCXXQQKDYBEW-VXNVDRBHSA-N -1 1 255.343 1.578 10 0 CDAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H]2C[C@@]2(O)C1 ZINC000899220285 622107897 /nfs/dbraw/zinc/10/78/97/622107897.db2.gz BNCVHFZXMQCTED-QLJPJBMISA-N -1 1 285.299 1.458 10 0 CDAEMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2C[C@]2(O)C1 ZINC000899220283 622108064 /nfs/dbraw/zinc/10/80/64/622108064.db2.gz BNCVHFZXMQCTED-QFYYESIMSA-N -1 1 285.299 1.458 10 0 CDAEMM O=C([N-]c1nc2c(s1)COCC2)c1nnc(C2CC2)o1 ZINC000900542418 623225113 /nfs/dbraw/zinc/22/51/13/623225113.db2.gz PJHLUETWWHYFBM-UHFFFAOYSA-N -1 1 292.320 1.729 10 0 CDAEMM CN1CCCC[C@H]1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000901500767 624303623 /nfs/dbraw/zinc/30/36/23/624303623.db2.gz FGQQEWVBCGZSDL-MQYQWHSLSA-N -1 1 294.395 1.715 10 0 CDAEMM Cn1nc(CN(CC(=O)[O-])CC2CC2)cc1C(F)(F)F ZINC000903409237 625984439 /nfs/dbraw/zinc/98/44/39/625984439.db2.gz RWFVZWNIKOURGI-UHFFFAOYSA-N -1 1 291.273 1.736 10 0 CDAEMM C[C@H](CN(C)C(=O)c1ccn2ccccc12)c1nn[n-]n1 ZINC000907348685 627629425 /nfs/dbraw/zinc/62/94/25/627629425.db2.gz BOKWHDVFODXKQJ-SNVBAGLBSA-N -1 1 284.323 1.328 10 0 CDAEMM CC[C@@](C)(NC(=O)NCc1ccc2cncn2c1)C(=O)[O-] ZINC000909168080 628557252 /nfs/dbraw/zinc/55/72/52/628557252.db2.gz FTGDHPQKTZNWKB-CQSZACIVSA-N -1 1 290.323 1.387 10 0 CDAEMM C[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2CCCc3[nH]ncc32)C1 ZINC000909842168 628706907 /nfs/dbraw/zinc/70/69/07/628706907.db2.gz MKSKLXMNHBMTPF-BMIGLBTASA-N -1 1 291.351 1.543 10 0 CDAEMM CC[C@@H](C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)[O-] ZINC000909865783 628711474 /nfs/dbraw/zinc/71/14/74/628711474.db2.gz GSIMLKSVVUPHRS-VWYCJHECSA-N -1 1 256.346 1.086 10 0 CDAEMM COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909976183 628790136 /nfs/dbraw/zinc/79/01/36/628790136.db2.gz JDJSWRYMPXMQIS-WDSKDSINSA-N -1 1 271.219 1.418 10 0 CDAEMM Cn1ncc(CCC(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC000909987825 628798129 /nfs/dbraw/zinc/79/81/29/628798129.db2.gz KQHNLHSQCHCIAJ-UHFFFAOYSA-N -1 1 282.250 1.370 10 0 CDAEMM CC(C)C[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000910465756 629084712 /nfs/dbraw/zinc/08/47/12/629084712.db2.gz WQXZNAKTSWOHSL-CABZTGNLSA-N -1 1 279.340 1.130 10 0 CDAEMM O=C(c1cncc([O-])c1)N1CCC(=O)C[C@@H]1C1CC1 ZINC000912183798 629835141 /nfs/dbraw/zinc/83/51/41/629835141.db2.gz JCIAAPYPUVKLGI-CYBMUJFWSA-N -1 1 260.293 1.371 10 0 CDAEMM O=C(NCC1CCC(O)CC1)c1cnc(C2CC2)[n-]c1=O ZINC000912683412 630142069 /nfs/dbraw/zinc/14/20/69/630142069.db2.gz IQANLLOVFLSRQL-UHFFFAOYSA-N -1 1 291.351 1.341 10 0 CDAEMM O=C([C@@H]1CCC=CCCC1)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913493366 630501199 /nfs/dbraw/zinc/50/11/99/630501199.db2.gz QQVNGYLCKJDMOS-NEPJUHHUSA-N -1 1 291.355 1.236 10 0 CDAEMM CCc1nc(S[C@H]2CCN(OC)C2=O)[n-]c(=O)c1C ZINC000917842898 632288108 /nfs/dbraw/zinc/28/81/08/632288108.db2.gz KHKDAGYQLDQLNS-VIFPVBQESA-N -1 1 283.353 1.307 10 0 CDAEMM CON1CC[C@H](Sc2nc(C)c(C3CC3)c(=O)[n-]2)C1=O ZINC000918463817 632371191 /nfs/dbraw/zinc/37/11/91/632371191.db2.gz UCJIERVZQLJCKB-VIFPVBQESA-N -1 1 295.364 1.622 10 0 CDAEMM O=C1NC2(CCC2)C(=O)N1CCc1c(F)cc([O-])cc1F ZINC000925462230 632537929 /nfs/dbraw/zinc/53/79/29/632537929.db2.gz IXWJMBHRBMGQKJ-UHFFFAOYSA-N -1 1 296.273 1.687 10 0 CDAEMM CC1(C)O[C@@H]2C[C@@H]([N-]C(=O)C(F)(F)F)C[C@@H]2O1 ZINC000921798228 633306504 /nfs/dbraw/zinc/30/65/04/633306504.db2.gz AKJAXDPBFGAUDM-POBXSPIYSA-N -1 1 253.220 1.347 10 0 CDAEMM O=C(CCc1ccncn1)Nc1cccc(F)c1[O-] ZINC001648851154 1158584083 /nfs/dbraw/zinc/58/40/83/1158584083.db2.gz WTGGTGSNQCWNMN-UHFFFAOYSA-N -1 1 261.256 1.893 10 0 CDAEMM O=C(NCCOCC(F)(F)F)c1ccc([O-])cc1F ZINC000226267932 1160567733 /nfs/dbraw/zinc/56/77/33/1160567733.db2.gz RATIZJKZYGWNJK-UHFFFAOYSA-N -1 1 281.205 1.840 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)C[C@@H]2CCOC2)c1 ZINC001620609391 1165660777 /nfs/dbraw/zinc/66/07/77/1165660777.db2.gz OEPNPMIKBMGSKO-NSHDSACASA-N -1 1 277.320 1.622 10 0 CDAEMM CONC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001624086337 1165818428 /nfs/dbraw/zinc/81/84/28/1165818428.db2.gz FGZKKVYKZJFWAR-UHFFFAOYSA-N -1 1 252.657 1.473 10 0 CDAEMM O=C(Nc1cncc(F)c1)C(=O)c1ccc([O-])cc1 ZINC001626397989 1165935604 /nfs/dbraw/zinc/93/56/04/1165935604.db2.gz SQEDTTNJTZRYGR-UHFFFAOYSA-N -1 1 260.224 1.748 10 0 CDAEMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cnn2C)c1 ZINC001629170502 1166118744 /nfs/dbraw/zinc/11/87/44/1166118744.db2.gz RSHZCVBSYXXVHD-UHFFFAOYSA-N -1 1 288.307 1.645 10 0 CDAEMM CN(C(=O)c1ccc(Nc2cccnc2)cc1)c1nn[n-]n1 ZINC001630604011 1166217440 /nfs/dbraw/zinc/21/74/40/1166217440.db2.gz VBTAOMAXZIAAHA-UHFFFAOYSA-N -1 1 295.306 1.615 10 0 CDAEMM CO[C@@H]1C[C@H](NC(=O)c2ccc([O-])cn2)C1(C)C ZINC001635049852 1166556777 /nfs/dbraw/zinc/55/67/77/1166556777.db2.gz PRSMGTVMWVSERS-WDEREUQCSA-N -1 1 250.298 1.331 10 0 CDAEMM C[C@@H]1C[C@@H](NC(=O)c2cccc([O-])c2F)CCO1 ZINC001636373605 1166672020 /nfs/dbraw/zinc/67/20/20/1166672020.db2.gz SFXOXQDAUNCRHW-BDAKNGLRSA-N -1 1 253.273 1.829 10 0 CDAEMM CCC(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]nn2)c1 ZINC001636438974 1166675722 /nfs/dbraw/zinc/67/57/22/1166675722.db2.gz FKMRPRQFONNDTD-UHFFFAOYSA-N -1 1 288.307 1.674 10 0 CDAEMM Cn1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)nn1 ZINC001636519702 1166679038 /nfs/dbraw/zinc/67/90/38/1166679038.db2.gz PWTNADHVFFKTIW-UHFFFAOYSA-N -1 1 270.651 1.566 10 0 CDAEMM Cc1ccc2n[nH]cc2c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC001638042540 1166813971 /nfs/dbraw/zinc/81/39/71/1166813971.db2.gz VWHUEBSUDLRCRS-VIFPVBQESA-N -1 1 299.338 1.260 10 0 CDAEMM O=C(c1cccc([O-])c1F)N1CCCCC[C@H]1CO ZINC001639328822 1166925691 /nfs/dbraw/zinc/92/56/91/1166925691.db2.gz VWIUBTRGQXEDPC-JTQLQIEISA-N -1 1 267.300 1.908 10 0 CDAEMM CCC[C@@]1(CO)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001639882291 1166974045 /nfs/dbraw/zinc/97/40/45/1166974045.db2.gz VSIDEBDJWVQYNC-INIZCTEOSA-N -1 1 291.347 1.729 10 0 CDAEMM O=C(NC[C@H]1COc2ccccc2O1)c1ccc([O-])cn1 ZINC001361622381 1167516400 /nfs/dbraw/zinc/51/64/00/1167516400.db2.gz DALZGFHAKHEQHZ-NSHDSACASA-N -1 1 286.287 1.357 10 0 CDAEMM C[C@@H](c1nnnn1C1CC1)N1CC[C@]2(C(=O)[O-])CCC[C@H]12 ZINC001646083736 1167639813 /nfs/dbraw/zinc/63/98/13/1167639813.db2.gz FSCRFPMQJOPYMT-NURSFMCSSA-N -1 1 291.355 1.398 10 0 CDAEMM O=C(NCc1cnc[nH]1)c1ccc2oc(=S)[n-]c2c1 ZINC001565844747 1168183241 /nfs/dbraw/zinc/18/32/41/1168183241.db2.gz NNEUZQGTHGILLX-UHFFFAOYSA-N -1 1 274.305 1.770 10 0 CDAEMM COc1cnc(C(C)(C)NC(=O)[C@@H](C)CSC)[n-]c1=O ZINC001646993931 1168332411 /nfs/dbraw/zinc/33/24/11/1168332411.db2.gz HEHFBXBPHXKXRR-QMMMGPOBSA-N -1 1 299.396 1.541 10 0 CDAEMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H](O)C2(CC2)C1 ZINC001647333416 1168570594 /nfs/dbraw/zinc/57/05/94/1168570594.db2.gz NHIDYFIIRVXCIJ-LBPRGKRZSA-N -1 1 281.739 1.571 10 0 CDAEMM CC(C)[C@@H](O)C(C)(C)CNC(=O)c1ccc([O-])cn1 ZINC001567223372 1168628802 /nfs/dbraw/zinc/62/88/02/1168628802.db2.gz HKRCCDFLRSYDPL-GFCCVEGCSA-N -1 1 266.341 1.560 10 0 CDAEMM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(C)no2)C1 ZINC000062877612 1169087483 /nfs/dbraw/zinc/08/74/83/1169087483.db2.gz FSYUDPXFSAMQSH-GFCCVEGCSA-N -1 1 253.302 1.455 10 0 CDAEMM CC[C@H]1CCN(c2nnc(-c3nnn[n-]3)n2CC2CC2)C1 ZINC001649298515 1169177212 /nfs/dbraw/zinc/17/72/12/1169177212.db2.gz XDEIRAXUKAQZPQ-VIFPVBQESA-N -1 1 288.359 1.105 10 0 CDAEMM CC[C@H]1CCN(c2nnc(-c3nn[n-]n3)n2CC2CC2)C1 ZINC001649298515 1169177215 /nfs/dbraw/zinc/17/72/15/1169177215.db2.gz XDEIRAXUKAQZPQ-VIFPVBQESA-N -1 1 288.359 1.105 10 0 CDAEMM CC(=CC(=O)N1CC[C@@H](c2nn[n-]n2)C1)c1ccccc1C ZINC001650857902 1171261997 /nfs/dbraw/zinc/26/19/97/1171261997.db2.gz LJXDHNXZYVDKAR-CNELAYHGSA-N -1 1 297.362 1.928 10 0 CDAEMM Cc1cc2ccccc2nc1C(=O)N(C)c1nn[n-]n1 ZINC001587343559 1172662831 /nfs/dbraw/zinc/66/28/31/1172662831.db2.gz JZEVUTIVHFXBMJ-UHFFFAOYSA-N -1 1 268.280 1.333 10 0 CDAEMM O=C(C=Cc1ccncn1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001583641279 1172771633 /nfs/dbraw/zinc/77/16/33/1172771633.db2.gz VASTUHGBFZEUDS-AATRIKPKSA-N -1 1 297.318 1.503 10 0 CDAEMM Cc1ccccc1C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001593857216 1174174013 /nfs/dbraw/zinc/17/40/13/1174174013.db2.gz QTLPJEUAZHUNKE-UHFFFAOYSA-N -1 1 257.297 1.317 10 0 CDAEMM CC(C)(C)C(=O)NCCNC(=O)c1ccc([O-])cc1F ZINC000162908635 1180294064 /nfs/dbraw/zinc/29/40/64/1180294064.db2.gz NYRBFMGQKHUVLS-UHFFFAOYSA-N -1 1 282.315 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ZINC000452692399 252140159 /nfs/dbraw/zinc/14/01/59/252140159.db2.gz KKESGDVOGAVTJK-SECBINFHSA-N -1 1 252.314 1.234 10 0 CDAEMM C[C@H]1CCCC[C@@H]1NC(=O)CN1CCC(C)(C(=O)[O-])CC1 ZINC000062844129 413019626 /nfs/dbraw/zinc/01/96/26/413019626.db2.gz MABSOMIEDZCCLZ-STQMWFEESA-N -1 1 296.411 1.868 10 0 CDAEMM CN1CCC[C@@H](NC(=O)N2CCCCC[C@@H]2C(=O)[O-])C1 ZINC000080990961 177747358 /nfs/dbraw/zinc/74/73/58/177747358.db2.gz PXWKZEUKDVQAIN-VXGBXAGGSA-N -1 1 283.372 1.119 10 0 CDAEMM C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC000281680608 195334019 /nfs/dbraw/zinc/33/40/19/195334019.db2.gz DBTNLUWZKDHCOI-GMSGAONNSA-N -1 1 282.727 1.443 10 0 CDAEMM Cc1nc([C@](C)(NC(=O)c2cncc([O-])c2)C2CC2)no1 ZINC000647138856 390527501 /nfs/dbraw/zinc/52/75/01/390527501.db2.gz OGKFXZHHBRNZHO-CQSZACIVSA-N -1 1 288.307 1.534 10 0 CDAEMM COC[C@H]1CN(C(=O)c2ncccc2[O-])CC(C)(C)O1 ZINC000284942692 390674464 /nfs/dbraw/zinc/67/44/64/390674464.db2.gz DQCNHKZRMGKTTM-SNVBAGLBSA-N -1 1 280.324 1.053 10 0 CDAEMM CCc1nc(C2CCN(C(=O)C(C)(C)C(=O)[O-])CC2)n[nH]1 ZINC000647740919 391043474 /nfs/dbraw/zinc/04/34/74/391043474.db2.gz YTMRLDPMCFTNMQ-UHFFFAOYSA-N -1 1 294.355 1.184 10 0 CDAEMM CO[C@@H](C)c1nc(=NC[C@@H]2CCC[C@H]2O)s[n-]1 ZINC000450912445 391465987 /nfs/dbraw/zinc/46/59/87/391465987.db2.gz HPHXJEQGCZDCPX-XHNCKOQMSA-N -1 1 257.359 1.240 10 0 CDAEMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1nc(C)c(C)s1 ZINC000342097525 130259585 /nfs/dbraw/zinc/25/95/85/130259585.db2.gz KNRNICMEQDQLEQ-SVRRBLITSA-N -1 1 278.399 1.462 10 0 CDAEMM CCCc1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n[nH]1 ZINC000648340027 391789258 /nfs/dbraw/zinc/78/92/58/391789258.db2.gz JRDLNKCHTYCNRH-XHVZSJERSA-N -1 1 291.351 1.688 10 0 CDAEMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])CCN1CCO ZINC000187290299 392112625 /nfs/dbraw/zinc/11/26/25/392112625.db2.gz JCVDGAGGZABSBT-JTQLQIEISA-N -1 1 298.770 1.184 10 0 CDAEMM Cc1cnc(CS(=O)(=O)c2nc(C(C)(C)C)n[n-]2)nc1 ZINC000345203049 392122574 /nfs/dbraw/zinc/12/25/74/392122574.db2.gz 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ZINC000649237759 393142079 /nfs/dbraw/zinc/14/20/79/393142079.db2.gz KAJYEIXLJWNJNX-UWVGGRQHSA-N -1 1 287.319 1.551 10 0 CDAEMM CCC[C@@H](NC(=O)[C@H](C)CC(C)C)c1nn[n-]n1 ZINC000184843466 140033852 /nfs/dbraw/zinc/03/38/52/140033852.db2.gz JMGIEUDWMZIUAN-NXEZZACHSA-N -1 1 253.350 1.839 10 0 CDAEMM COCc1csc(NC(=O)c2cncc([O-])c2)n1 ZINC000115723174 147267548 /nfs/dbraw/zinc/26/75/48/147267548.db2.gz BKAMWTVRVOLKKJ-UHFFFAOYSA-N -1 1 265.294 1.642 10 0 CDAEMM CC1(C)COC[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000313058149 149242435 /nfs/dbraw/zinc/24/24/35/149242435.db2.gz DHJSXSSUSKXGCU-NSHDSACASA-N -1 1 253.273 1.686 10 0 CDAEMM C[C@@H]1CC[C@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000343976760 152376524 /nfs/dbraw/zinc/37/65/24/152376524.db2.gz DBCXGFFMTWNKQH-VXNVDRBHSA-N -1 1 251.355 1.668 10 0 CDAEMM Cc1nc2ccccc2nc1SCc1nc(=O)n(C)[n-]1 ZINC000354332394 156393387 /nfs/dbraw/zinc/39/33/87/156393387.db2.gz PQBLNWZOHVQEEO-UHFFFAOYSA-N -1 1 287.348 1.652 10 0 CDAEMM CCOC(=O)c1cn(C)[n-]c1=NC(=O)[C@@H]1CCCSC1 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Cc1onc(N)c1S(=O)(=O)[N-]C[C@@H](C)c1ccccn1 ZINC000657040390 413869462 /nfs/dbraw/zinc/86/94/62/413869462.db2.gz SRTWREOWBTVFLE-MRVPVSSYSA-N -1 1 296.352 1.042 10 0 CDAEMM CO[C@@H](CSc1nc(C)c(C)c(=O)[n-]1)[C@H]1CCOC1 ZINC000657254434 414081805 /nfs/dbraw/zinc/08/18/05/414081805.db2.gz ANDQVJVJTMFHAG-QWRGUYRKSA-N -1 1 284.381 1.943 10 0 CDAEMM CN(C)c1noc(CN2C[C@@H]3CCCC[C@]3(C(=O)[O-])C2)n1 ZINC000659800774 414128415 /nfs/dbraw/zinc/12/84/15/414128415.db2.gz XXNFYQXRWKYJDV-HZMBPMFUSA-N -1 1 294.355 1.212 10 0 CDAEMM CCc1cccc(NC(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC000040556846 174331403 /nfs/dbraw/zinc/33/14/03/174331403.db2.gz BWVPFAOGBXJRER-UHFFFAOYSA-N -1 1 291.351 1.483 10 0 CDAEMM CCCC[C@@H](NC(=O)N1CCN(C(C)C)CC1)C(=O)[O-] ZINC000040582245 174345095 /nfs/dbraw/zinc/34/50/95/174345095.db2.gz LZIRJNOGEUXDSM-GFCCVEGCSA-N -1 1 285.388 1.365 10 0 CDAEMM CN1CCC[C@@H](NC(=O)N(CCC(=O)[O-])C(C)(C)C)C1 ZINC000040716446 174383733 /nfs/dbraw/zinc/38/37/33/174383733.db2.gz VUPPPZRLFAROIS-LLVKDONJSA-N 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294.380 1.816 10 0 CDAEMM O=C(c1ncccc1[O-])N1CCCC[C@@H](CO)C1 ZINC000376896307 371370025 /nfs/dbraw/zinc/37/00/25/371370025.db2.gz GCICQQBDIBASEG-SNVBAGLBSA-N -1 1 250.298 1.022 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cnc(C2CC2)nc1 ZINC000578593813 372508332 /nfs/dbraw/zinc/50/83/32/372508332.db2.gz PCKNUHGCJFJIID-UHFFFAOYSA-N -1 1 299.338 1.066 10 0 CDAEMM O=C(NCc1cccc(CO)n1)c1c(F)ccc([O-])c1F ZINC000580979910 372770625 /nfs/dbraw/zinc/77/06/25/372770625.db2.gz WSHGNKRGQCTFQY-UHFFFAOYSA-N -1 1 294.257 1.488 10 0 CDAEMM CCN(C(=O)CCc1nn[n-]n1)[C@@H]1CCCC[C@H]1C ZINC000630903060 373149476 /nfs/dbraw/zinc/14/94/76/373149476.db2.gz PUCWVJCMUOGLOA-GHMZBOCLSA-N -1 1 265.361 1.560 10 0 CDAEMM CC(C)(C)[C@H]1CCCN1C(=O)CCc1nn[n-]n1 ZINC000630934553 373412551 /nfs/dbraw/zinc/41/25/51/373412551.db2.gz XWUZAPHJDFOYDS-SECBINFHSA-N -1 1 251.334 1.169 10 0 CDAEMM Cc1ccc2c(c1)[C@H](NC(=O)CCc1nn[n-]n1)CC2 ZINC000630946970 373504644 /nfs/dbraw/zinc/50/46/44/373504644.db2.gz BYERMXZSDVJRRY-GFCCVEGCSA-N -1 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CCc1cc(-c2n[n-]nc2C(=O)OC(C)(C)C)no1 ZINC000725266410 538456962 /nfs/dbraw/zinc/45/69/62/538456962.db2.gz VQIIWXBWGNCFJM-UHFFFAOYSA-N -1 1 264.285 1.977 10 0 CDAEMM Cc1ncoc1-c1n[n-]nc1C(=O)OC(C)(C)C ZINC000725266355 538457114 /nfs/dbraw/zinc/45/71/14/538457114.db2.gz NLLSAJRYORDQPZ-UHFFFAOYSA-N -1 1 250.258 1.723 10 0 CDAEMM CC[C@@H](C)N(CC(=O)OC)C(=O)c1ncc(C)cc1[O-] ZINC000456045856 363508677 /nfs/dbraw/zinc/50/86/77/363508677.db2.gz XIBZTACWSCHZJN-SNVBAGLBSA-N -1 1 280.324 1.509 10 0 CDAEMM O=C(N[C@H]1CCCNC1=O)c1ccc(Cl)cc1[O-] ZINC000050225034 357233015 /nfs/dbraw/zinc/23/30/15/357233015.db2.gz LPVWKFRBAGMNOI-VIFPVBQESA-N -1 1 268.700 1.054 10 0 CDAEMM O=C(NC1COC1)c1ccc(Br)cc1[O-] ZINC000094710749 482803219 /nfs/dbraw/zinc/80/32/19/482803219.db2.gz COUSTNXOYGMEFZ-UHFFFAOYSA-N -1 1 272.098 1.283 10 0 CDAEMM CC[C@H]([N-]S(=O)(=O)CC1(N(C)C)CC1)C(F)(F)F ZINC000632265190 358437116 /nfs/dbraw/zinc/43/71/16/358437116.db2.gz PNFQUDQJPCQPMY-QMMMGPOBSA-N -1 1 288.335 1.341 10 0 CDAEMM Cc1ccc(NC(=O)CN(C)CCCC(=O)[O-])cc1F ZINC000042716937 358972177 /nfs/dbraw/zinc/97/21/77/358972177.db2.gz NFVYQTYKKVWHMQ-UHFFFAOYSA-N -1 1 282.315 1.869 10 0 CDAEMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000042439095 358945053 /nfs/dbraw/zinc/94/50/53/358945053.db2.gz URSMRQRCROWOPU-DTWKUNHWSA-N -1 1 296.754 1.772 10 0 CDAEMM CC[C@H](NC(=O)c1ncccc1[O-])c1ccnn1C ZINC000219741742 359119403 /nfs/dbraw/zinc/11/94/03/359119403.db2.gz BTNDDWIHRRNTRR-VIFPVBQESA-N -1 1 260.297 1.402 10 0 CDAEMM Cc1cnc(C(=O)NC[C@@H](C)C(=O)OC(C)C)c([O-])c1 ZINC000358625741 359427882 /nfs/dbraw/zinc/42/78/82/359427882.db2.gz HASBZACYFPCBFE-SNVBAGLBSA-N -1 1 280.324 1.413 10 0 CDAEMM Cc1cnc(C(=O)N2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000408367670 359695022 /nfs/dbraw/zinc/69/50/22/359695022.db2.gz XPKWQCNVNLOBMV-UHFFFAOYSA-N -1 1 291.351 1.036 10 0 CDAEMM Cc1cnc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c([O-])c1 ZINC000408371174 359705233 /nfs/dbraw/zinc/70/52/33/359705233.db2.gz VZLZXZFJCNFRFY-LBPRGKRZSA-N -1 1 277.368 1.509 10 0 CDAEMM O=C(N[C@H]1CCCC[C@H]1CO)c1cncc([O-])c1 ZINC000226673221 359718483 /nfs/dbraw/zinc/71/84/83/359718483.db2.gz UMLRASXNXSRWCM-CABZTGNLSA-N -1 1 250.298 1.068 10 0 CDAEMM CC(C)N1CCC[C@@H](N2CCC[C@@H](C)[C@H]2C(=O)[O-])C1=O ZINC000424276706 359988690 /nfs/dbraw/zinc/98/86/90/359988690.db2.gz YYXSSIMLZKHMRS-UPJWGTAASA-N -1 1 282.384 1.571 10 0 CDAEMM O=C([C@H]1CCc2cccnc21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000644869171 360064907 /nfs/dbraw/zinc/06/49/07/360064907.db2.gz MQAPXSIFFFZBEO-NEPJUHHUSA-N -1 1 298.350 1.031 10 0 CDAEMM O=C([O-])c1cccc([C@@H]2CCOCCN2CCO)c1 ZINC000616598030 360517198 /nfs/dbraw/zinc/51/71/98/360517198.db2.gz MAFMEGIGXYJRMV-ZDUSSCGKSA-N -1 1 265.309 1.141 10 0 CDAEMM CC[C@H](C)[C@@](C)(O)CN=c1nc([C@@H](C)OC)[n-]s1 ZINC000337937067 360569932 /nfs/dbraw/zinc/56/99/32/360569932.db2.gz NEZWMEMLAQQGPM-SBMIAAHKSA-N -1 1 273.402 1.876 10 0 CDAEMM Cc1cnc(C(=O)NCC2CC(F)(F)C2)c([O-])c1 ZINC000335869141 361009221 /nfs/dbraw/zinc/00/92/21/361009221.db2.gz YACXSQODZJVMMZ-UHFFFAOYSA-N -1 1 256.252 1.871 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CC1)c1cncc2ccccc21 ZINC000357072243 366737790 /nfs/dbraw/zinc/73/77/90/366737790.db2.gz HGMZXSXLDICTQI-UHFFFAOYSA-N -1 1 280.291 1.167 10 0 CDAEMM C[C@H]1C[C@@H]1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000336575346 363766650 /nfs/dbraw/zinc/76/66/50/363766650.db2.gz MJHKWIHUNNGYNB-DTWKUNHWSA-N -1 1 257.293 1.309 10 0 CDAEMM Cc1cnc(C(=O)NCC(=O)C2(C)CCCC2)c([O-])c1 ZINC000629001795 361396434 /nfs/dbraw/zinc/39/64/34/361396434.db2.gz GGGONLDMSRCSSB-UHFFFAOYSA-N -1 1 276.336 1.975 10 0 CDAEMM c1ccc(CN2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000408495480 361400416 /nfs/dbraw/zinc/40/04/16/361400416.db2.gz FAYJSEHBCMPYHT-NSHDSACASA-N -1 1 261.354 1.490 10 0 CDAEMM O=C(c1csc(=NC2CC2)[n-]1)N1CCO[C@H](CCF)C1 ZINC000629016485 361413951 /nfs/dbraw/zinc/41/39/51/361413951.db2.gz DTNWEFOLHKDLGI-SNVBAGLBSA-N -1 1 299.371 1.340 10 0 CDAEMM O=C(C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)c1ccc([O-])cc1 ZINC000629092768 361499820 /nfs/dbraw/zinc/49/98/20/361499820.db2.gz GGOCYOAZKRJSSG-BLLLJJGKSA-N -1 1 289.331 1.196 10 0 CDAEMM O=C(Nc1ccc(F)cc1[O-])c1cn(CC2CC2)nn1 ZINC000562526729 361563410 /nfs/dbraw/zinc/56/34/10/361563410.db2.gz CFAQNUZTBFAGSZ-UHFFFAOYSA-N -1 1 276.271 1.785 10 0 CDAEMM O=C(N[C@@H]1CO[C@@H](C2CC2)C1)c1c(F)ccc([O-])c1F ZINC000629123350 361589498 /nfs/dbraw/zinc/58/94/98/361589498.db2.gz BWBSODBHWNWIIW-GZMMTYOYSA-N -1 1 283.274 1.968 10 0 CDAEMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cncc(F)c1 ZINC000436999816 361635292 /nfs/dbraw/zinc/63/52/92/361635292.db2.gz RURSMPYRQDYZAJ-SECBINFHSA-N -1 1 288.278 1.986 10 0 CDAEMM CC(C)[C@H](CC(F)(F)F)NC(=O)CCc1nn[n-]n1 ZINC000632687532 364410690 /nfs/dbraw/zinc/41/06/90/364410690.db2.gz ORBAOEKDWTWJIV-ZETCQYMHSA-N -1 1 279.266 1.226 10 0 CDAEMM CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1 ZINC000272382187 365214514 /nfs/dbraw/zinc/21/45/14/365214514.db2.gz WNLASEIMPPCFJV-OLZOCXBDSA-N -1 1 293.411 1.974 10 0 CDAEMM N[C@H](c1csc(Br)c1)c1nnn[n-]1 ZINC000307257088 366922243 /nfs/dbraw/zinc/92/22/43/366922243.db2.gz AZDPUVCKITZSQG-RXMQYKEDSA-N -1 1 260.120 1.072 10 0 CDAEMM CCO[C@H]1C[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)C1 ZINC000414395455 241181595 /nfs/dbraw/zinc/18/15/95/241181595.db2.gz DCSGYOMTWGXPQR-AOOOYVTPSA-N -1 1 287.319 1.220 10 0 CDAEMM C[C@H](O)[C@H]1CN(Cc2cccc([O-])c2Cl)CCO1 ZINC000414575492 241266588 /nfs/dbraw/zinc/26/65/88/241266588.db2.gz NJJCPJLXYNFJFI-JOYOIKCWSA-N -1 1 271.744 1.627 10 0 CDAEMM O=C(C[N@H+]1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000227218980 367270675 /nfs/dbraw/zinc/27/06/75/367270675.db2.gz IDJBXICUPBBSFP-XBFCOCLRSA-N -1 1 294.395 1.763 10 0 CDAEMM O=C(CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)NC1CCCC1 ZINC000227218980 367270677 /nfs/dbraw/zinc/27/06/77/367270677.db2.gz IDJBXICUPBBSFP-XBFCOCLRSA-N -1 1 294.395 1.763 10 0 CDAEMM C[C@H](CO)CCCNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000340100879 367666829 /nfs/dbraw/zinc/66/68/29/367666829.db2.gz CJLRGPAQABYJCZ-JTQLQIEISA-N -1 1 289.335 1.062 10 0 CDAEMM Cc1cnc(C(=O)N(CCO)Cc2ccccc2)c([O-])c1 ZINC000358715474 367893881 /nfs/dbraw/zinc/89/38/81/367893881.db2.gz IKVRYIOEMVDJRQ-UHFFFAOYSA-N -1 1 286.331 1.730 10 0 CDAEMM O=C(c1ccccc1F)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282826703 368055958 /nfs/dbraw/zinc/05/59/58/368055958.db2.gz CWUBZQXGGKYAGG-VIFPVBQESA-N -1 1 290.298 1.257 10 0 CDAEMM O=C([C@H]1CCCC12CC2)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000528883433 368019031 /nfs/dbraw/zinc/01/90/31/368019031.db2.gz QYTDYDRHAARCGE-WDEREUQCSA-N -1 1 275.356 1.486 10 0 CDAEMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632018163 368175811 /nfs/dbraw/zinc/17/58/11/368175811.db2.gz TZPGMFHSIKNPCL-RQJHMYQMSA-N -1 1 283.296 1.512 10 0 CDAEMM C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000538495798 368307273 /nfs/dbraw/zinc/30/72/73/368307273.db2.gz BBZHLXIURBBWIY-MXWKQRLJSA-N -1 1 263.345 1.342 10 0 CDAEMM CCC[C@H](CNC(=O)c1cnccc1N(C)C)C(=O)[O-] ZINC000630192759 368471648 /nfs/dbraw/zinc/47/16/48/368471648.db2.gz MXSPDLVPBJORCU-SNVBAGLBSA-N -1 1 279.340 1.378 10 0 CDAEMM CC1(C)CC[C@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000541036231 368593473 /nfs/dbraw/zinc/59/34/73/368593473.db2.gz SOJOQSSBMNVITF-JTQLQIEISA-N -1 1 277.372 1.912 10 0 CDAEMM Cc1cc(CN(C)C(=O)c2cccc3nn[nH]c32)no1 ZINC000542821194 368831689 /nfs/dbraw/zinc/83/16/89/368831689.db2.gz XKEZHYMGRRYIKR-UHFFFAOYSA-N -1 1 271.280 1.527 10 0 CDAEMM CC(C)[C@]1(C)C[C@H]1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000547517379 369577282 /nfs/dbraw/zinc/57/72/82/369577282.db2.gz SWWMEIHYWGADHD-GWCFXTLKSA-N -1 1 277.372 1.767 10 0 CDAEMM COC(=O)CCS(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000290556826 369956865 /nfs/dbraw/zinc/95/68/65/369956865.db2.gz RDZOFTVMDAPINR-UHFFFAOYSA-N -1 1 296.348 1.483 10 0 CDAEMM O=C(NC[C@@H]1CC(=O)Nc2ccccc21)c1ncccc1[O-] ZINC000370138392 369964691 /nfs/dbraw/zinc/96/46/91/369964691.db2.gz NCADUSJGUJWSQC-JTQLQIEISA-N -1 1 297.314 1.643 10 0 CDAEMM Cc1sc(=N[C@H](CCO)c2ccco2)[nH]c1C(=O)[O-] ZINC000565036236 370334587 /nfs/dbraw/zinc/33/45/87/370334587.db2.gz PVLRIRRLLSUNOT-MRVPVSSYSA-N -1 1 282.321 1.700 10 0 CDAEMM FC(F)(F)c1n[n-]c(=N[C@@H]2CCc3[nH]cnc3C2)s1 ZINC000565429167 370445277 /nfs/dbraw/zinc/44/52/77/370445277.db2.gz VTHXSMXSJSIYOH-RXMQYKEDSA-N -1 1 289.286 1.671 10 0 CDAEMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)nn1C ZINC000567817618 371157446 /nfs/dbraw/zinc/15/74/46/371157446.db2.gz ZBOFJWDYRBPMQK-UHFFFAOYSA-N -1 1 296.714 1.854 10 0 CDAEMM Cc1nc([N-]C(=O)c2csc(Cl)n2)nn1C ZINC000295410375 371261783 /nfs/dbraw/zinc/26/17/83/371261783.db2.gz UFFGGTUGLWSFLT-UHFFFAOYSA-N -1 1 257.706 1.486 10 0 CDAEMM C[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc([O-])cc1F ZINC000296111260 371408657 /nfs/dbraw/zinc/40/86/57/371408657.db2.gz QCORSRZJQDUKSR-PELKAZGASA-N -1 1 253.273 1.517 10 0 CDAEMM Cc1ccc(NC(=O)NCCCc2nc(=O)[n-][nH]2)s1 ZINC000175355402 372663403 /nfs/dbraw/zinc/66/34/03/372663403.db2.gz RZZZEDDZROWMOF-UHFFFAOYSA-N -1 1 281.341 1.222 10 0 CDAEMM CC(C)N(C(=O)CCc1nn[n-]n1)C1CCCC1 ZINC000630924283 373375107 /nfs/dbraw/zinc/37/51/07/373375107.db2.gz NJTFYRSIFBXMAW-UHFFFAOYSA-N -1 1 251.334 1.312 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1CC[C@H](c2cccc(F)c2)C1 ZINC000630933749 373412684 /nfs/dbraw/zinc/41/26/84/373412684.db2.gz CKDCQBBXRAHOMG-NSHDSACASA-N -1 1 289.314 1.288 10 0 CDAEMM O=C([O-])Cc1ccc(F)c(O)c1I ZINC000575702974 373959780 /nfs/dbraw/zinc/95/97/80/373959780.db2.gz JEFJEWIKUXURLQ-UHFFFAOYSA-N -1 1 296.035 1.763 10 0 CDAEMM CCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1OC)c1nn[n-]n1 ZINC000342345302 374136478 /nfs/dbraw/zinc/13/64/78/374136478.db2.gz CNLTUSYEHZOZJH-OUAUKWLOSA-N -1 1 281.360 1.362 10 0 CDAEMM NC(=O)[C@H]1CCC[C@H](NC(=O)c2c([O-])cccc2F)C1 ZINC000125672216 374957587 /nfs/dbraw/zinc/95/75/87/374957587.db2.gz MZXLADJJZJFXHK-IUCAKERBSA-N -1 1 280.299 1.305 10 0 CDAEMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131077672 375368494 /nfs/dbraw/zinc/36/84/94/375368494.db2.gz JRKROIQNFGBNDP-LURJTMIESA-N -1 1 295.719 1.319 10 0 CDAEMM Cc1cnc(C(=O)N[C@@H](C)c2nnc3n2CCC3)c([O-])c1 ZINC000426622041 247045375 /nfs/dbraw/zinc/04/53/75/247045375.db2.gz AYLCXZKJKAIVPX-VIFPVBQESA-N -1 1 287.323 1.124 10 0 CDAEMM O=C(c1ccc(Cl)cc1[O-])N1CCNC(=O)CC1 ZINC000059894628 375845256 /nfs/dbraw/zinc/84/52/56/375845256.db2.gz WIDCWBYNHQJYHE-UHFFFAOYSA-N -1 1 268.700 1.008 10 0 CDAEMM Cc1ccc(C[C@@H](C)N(C)C(=O)CCc2nn[n-]n2)cc1 ZINC000631408665 376213104 /nfs/dbraw/zinc/21/31/04/376213104.db2.gz LBKSCYFRENYCJF-GFCCVEGCSA-N -1 1 287.367 1.530 10 0 CDAEMM C[C@@H](CNC(=O)CCc1nn[n-]n1)Cc1cccs1 ZINC000631494206 376312666 /nfs/dbraw/zinc/31/26/66/376312666.db2.gz MSQFSLPDTSOEIT-SECBINFHSA-N -1 1 279.369 1.189 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000631797349 376609310 /nfs/dbraw/zinc/60/93/10/376609310.db2.gz UYTWBSVQAZYKDX-LBPRGKRZSA-N -1 1 287.323 1.202 10 0 CDAEMM Cc1nc(S(=O)(=O)[N-][C@H](C)CCCO)sc1C ZINC000331293284 376893738 /nfs/dbraw/zinc/89/37/38/376893738.db2.gz QQPXDQALDMPNCC-SSDOTTSWSA-N -1 1 278.399 1.199 10 0 CDAEMM CO[C@@H]([C@H](C)NC(=O)c1ncc(C)cc1[O-])C1CC1 ZINC000456537812 377082567 /nfs/dbraw/zinc/08/25/67/377082567.db2.gz BBOPQVATSFZYNA-ZANVPECISA-N -1 1 264.325 1.639 10 0 CDAEMM CCC[C@H](C)[C@H](CO)[N-]S(=O)(=O)c1cc(C)ns1 ZINC000632508940 377545325 /nfs/dbraw/zinc/54/53/25/377545325.db2.gz RVZRKWBGJBSBII-WPRPVWTQSA-N -1 1 292.426 1.527 10 0 CDAEMM Cc1cc(S(=O)(=O)[N-]CCO[C@H]2CC2(F)F)sn1 ZINC000632553487 377596495 /nfs/dbraw/zinc/59/64/95/377596495.db2.gz QXPXLFOYVYWUOS-ZETCQYMHSA-N -1 1 298.336 1.154 10 0 CDAEMM CC1(C)Cc2cccc(NC(=O)CCc3nn[n-]n3)c2O1 ZINC000632750730 377822054 /nfs/dbraw/zinc/82/20/54/377822054.db2.gz JDMSREJAUGSCAD-UHFFFAOYSA-N -1 1 287.323 1.485 10 0 CDAEMM O=C(CCc1nn[n-]n1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000632772527 377845786 /nfs/dbraw/zinc/84/57/86/377845786.db2.gz VTMRCEREMMQAFM-KBPBESRZSA-N -1 1 299.378 1.975 10 0 CDAEMM C[C@H](NC(=O)CCc1nn[n-]n1)c1ccsc1 ZINC000632893222 377963284 /nfs/dbraw/zinc/96/32/84/377963284.db2.gz HQKPXMLGCVYIHL-ZETCQYMHSA-N -1 1 251.315 1.071 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1CCC[C@@H](c2ccccc2)C1 ZINC000633190830 378191331 /nfs/dbraw/zinc/19/13/31/378191331.db2.gz IDLKXSVXWZDFEY-CYBMUJFWSA-N -1 1 285.351 1.539 10 0 CDAEMM C[C@@H](CCCc1cccnc1)NC(=O)CCc1nn[n-]n1 ZINC000633394234 378398656 /nfs/dbraw/zinc/39/86/56/378398656.db2.gz XDVKLYXCLZWYJD-NSHDSACASA-N -1 1 288.355 1.055 10 0 CDAEMM O=C(CCc1nn[n-]n1)N[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000633692995 378696796 /nfs/dbraw/zinc/69/67/96/378696796.db2.gz VPGPOZHTEVITOR-GXSJLCMTSA-N -1 1 293.277 1.083 10 0 CDAEMM CN(C[C@@H]1CN(C)CCO1)C(=O)c1ccc(Cl)cc1[O-] ZINC000633924556 378881375 /nfs/dbraw/zinc/88/13/75/378881375.db2.gz AGFPSDKFBMKZSL-NSHDSACASA-N -1 1 298.770 1.448 10 0 CDAEMM CNC(=O)Cc1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443102239 250010736 /nfs/dbraw/zinc/01/07/36/250010736.db2.gz OFNDORBYJSYWIS-UHFFFAOYSA-N -1 1 297.698 1.393 10 0 CDAEMM O=C(c1ncccc1[O-])N1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000634233395 379223504 /nfs/dbraw/zinc/22/35/04/379223504.db2.gz GULQNNSMJNGQKM-JGVFFNPUSA-N -1 1 290.241 1.030 10 0 CDAEMM Cc1ccsc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283013146 195770241 /nfs/dbraw/zinc/77/02/41/195770241.db2.gz WROBNXZVIPJCEH-SECBINFHSA-N -1 1 292.364 1.488 10 0 CDAEMM Cc1nc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cs1 ZINC000647460723 390963858 /nfs/dbraw/zinc/96/38/58/390963858.db2.gz NCJHLZLJQIJIRB-GZMMTYOYSA-N -1 1 254.355 1.994 10 0 CDAEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2CCCC[C@@H]2OC)n1 ZINC000415635804 391177114 /nfs/dbraw/zinc/17/71/14/391177114.db2.gz DLXKFEQCDHMDNL-KOLCDFICSA-N -1 1 295.339 1.730 10 0 CDAEMM Cc1cc2[nH]c(C(=O)NC3(c4nn[n-]n4)CC3)cc2c(C)c1 ZINC000348283332 391422548 /nfs/dbraw/zinc/42/25/48/391422548.db2.gz YSOPGOGQLAOYKL-UHFFFAOYSA-N -1 1 296.334 1.717 10 0 CDAEMM CC1(C)CCC[C@H]1CCN=c1ccc(C(N)=O)n[n-]1 ZINC000528070065 391599144 /nfs/dbraw/zinc/59/91/44/391599144.db2.gz WGHNEYLHTDCQPR-JTQLQIEISA-N -1 1 262.357 1.626 10 0 CDAEMM O=C(c1c(F)ccc([O-])c1F)N1Cc2c[nH]nc2C1 ZINC000647796347 391646268 /nfs/dbraw/zinc/64/62/68/391646268.db2.gz VCLVGNKJFJYCPI-UHFFFAOYSA-N -1 1 265.219 1.550 10 0 CDAEMM C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000646152391 392104052 /nfs/dbraw/zinc/10/40/52/392104052.db2.gz CDKBSFWECPFOAO-XZUYRWCXSA-N -1 1 295.383 1.022 10 0 CDAEMM CN1CCCN(C(=O)c2ccc(Cl)cc2[O-])CC1=O ZINC000191698127 397650892 /nfs/dbraw/zinc/65/08/92/397650892.db2.gz VWOHJDFIAQBSOI-UHFFFAOYSA-N -1 1 282.727 1.350 10 0 CDAEMM CC[C@H]([N-]S(=O)(=O)[C@@H]1CCO[C@@H](C)C1)C(F)F ZINC000451624870 397609757 /nfs/dbraw/zinc/60/97/57/397609757.db2.gz BOCIGCDWFXGMNW-YIZRAAEISA-N -1 1 271.329 1.517 10 0 CDAEMM CN(C)Cc1cc(CNC(=O)C(C)(C)C(=O)[O-])ccc1F ZINC000649461337 397736674 /nfs/dbraw/zinc/73/66/74/397736674.db2.gz SPPGUCSZHDJCRH-UHFFFAOYSA-N -1 1 296.342 1.614 10 0 CDAEMM Cc1ccncc1CCNC(=O)c1ccc([O-])cn1 ZINC001583998801 1172792558 /nfs/dbraw/zinc/79/25/58/1172792558.db2.gz ULRXCXMAUZYZKS-UHFFFAOYSA-N -1 1 257.293 1.463 10 0 CDAEMM CC(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000375160286 160350098 /nfs/dbraw/zinc/35/00/98/160350098.db2.gz OMJCYUBKFILCHP-WDEREUQCSA-N -1 1 265.361 1.588 10 0 CDAEMM CC(C)N(CCCNC(=O)C1CCC1)Cc1n[nH]c(=O)[n-]1 ZINC001664478353 1172858791 /nfs/dbraw/zinc/85/87/91/1172858791.db2.gz LTNLECLSSKKJBC-UHFFFAOYSA-N -1 1 295.387 1.027 10 0 CDAEMM C[C@H]1CC[C@H]1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000343976747 152376170 /nfs/dbraw/zinc/37/61/70/152376170.db2.gz DBCXGFFMTWNKQH-IONNQARKSA-N -1 1 251.355 1.668 10 0 CDAEMM COC(=O)c1c[n-]c(SCc2ccnc(C)n2)n1 ZINC000355945499 157294227 /nfs/dbraw/zinc/29/42/27/157294227.db2.gz HCPRAIIJUAVXFP-UHFFFAOYSA-N -1 1 264.310 1.587 10 0 CDAEMM CC(C)[C@H](O)CCNC(=O)c1ccc([O-])c(F)c1 ZINC001586337807 1172943474 /nfs/dbraw/zinc/94/34/74/1172943474.db2.gz JSTSRQLRMSMXCG-LLVKDONJSA-N -1 1 255.289 1.668 10 0 CDAEMM O=C(c1ccc(O)cc1[O-])n1nnc2ccccc21 ZINC000005778216 170139515 /nfs/dbraw/zinc/13/95/15/170139515.db2.gz PNJFCWFTAWTXPK-UHFFFAOYSA-N -1 1 255.233 1.531 10 0 CDAEMM Cn1ncc(C2CC2)c1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000656612913 413497436 /nfs/dbraw/zinc/49/74/36/413497436.db2.gz ONJYQHMPCHKPBA-SNAWJCMRSA-N -1 1 282.307 1.199 10 0 CDAEMM CCn1nncc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000656768133 413655488 /nfs/dbraw/zinc/65/54/88/413655488.db2.gz VJNDMWUEXMHYKC-HZSPNIEDSA-N -1 1 292.383 1.763 10 0 CDAEMM CC(C)(C(=O)[O-])n1cc(Nc2ncnc3nc[nH]c32)cn1 ZINC000662894912 413673287 /nfs/dbraw/zinc/67/32/87/413673287.db2.gz IDGQKZGSMYDYIE-UHFFFAOYSA-N -1 1 287.283 1.113 10 0 CDAEMM CCC[C@@H](NCc1csc(NC(C)=O)n1)C(=O)[O-] ZINC000036838937 172743396 /nfs/dbraw/zinc/74/33/96/172743396.db2.gz ZCOABVGYUQSTMI-SECBINFHSA-N -1 1 271.342 1.444 10 0 CDAEMM CCC[C@@H](NCC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000036840285 172745646 /nfs/dbraw/zinc/74/56/46/172745646.db2.gz DACRDXBXBLUUIT-QJPTWQEYSA-N -1 1 270.373 1.524 10 0 CDAEMM CCN(C(=O)[C@H]1CCCc2[nH]ncc21)[C@H](C)C(=O)[O-] ZINC000663124277 413969377 /nfs/dbraw/zinc/96/93/77/413969377.db2.gz IQHOBDAOXDHKAB-BDAKNGLRSA-N -1 1 265.313 1.151 10 0 CDAEMM CCCc1cc(=O)[n-]c(SC[C@@H](COC)OC)n1 ZINC000657228267 414050465 /nfs/dbraw/zinc/05/04/65/414050465.db2.gz PXIBGNAOAXMELW-SNVBAGLBSA-N -1 1 272.370 1.888 10 0 CDAEMM CO[C@@H](CSc1nc(C)c(C)c(=O)[n-]1)[C@@H]1CCOC1 ZINC000657254433 414082380 /nfs/dbraw/zinc/08/23/80/414082380.db2.gz ANDQVJVJTMFHAG-MNOVXSKESA-N -1 1 284.381 1.943 10 0 CDAEMM N[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CC[C@H]1F ZINC000662319140 414638708 /nfs/dbraw/zinc/63/87/08/414638708.db2.gz FEZIBHADKFFNMT-HTQZYQBOSA-N -1 1 282.344 1.268 10 0 CDAEMM CC(C)(C)[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)[O-] ZINC000040482090 174285693 /nfs/dbraw/zinc/28/56/93/174285693.db2.gz DIAMDYJBEHBTIO-OLZOCXBDSA-N -1 1 290.363 1.316 10 0 CDAEMM O=C([O-])CCN(C(=O)[C@@H]1Cc2ccccc2CN1)C1CC1 ZINC000040483611 174287003 /nfs/dbraw/zinc/28/70/03/174287003.db2.gz CCXDSYGVKZPFMA-AWEZNQCLSA-N -1 1 288.347 1.167 10 0 CDAEMM C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000040551067 174327968 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/nfs/dbraw/zinc/72/03/60/371720360.db2.gz PXEXKZAJCGGCGV-TVQRCGJNSA-N -1 1 299.396 1.596 10 0 CDAEMM C[C@H]1CCCCN1CCNS(=O)(=O)c1cscn1 ZINC000575396015 371831504 /nfs/dbraw/zinc/83/15/04/371831504.db2.gz ISNTXRPQJLZFEN-JTQLQIEISA-N -1 1 289.426 1.296 10 0 CDAEMM CCc1nnc(C[N-]S(=O)(=O)c2cscn2)s1 ZINC000577845070 372141552 /nfs/dbraw/zinc/14/15/52/372141552.db2.gz NUVADMFERNOROO-UHFFFAOYSA-N -1 1 290.395 1.036 10 0 CDAEMM O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)c1cc(F)ccc1[O-] ZINC000178660613 372980952 /nfs/dbraw/zinc/98/09/52/372980952.db2.gz SVPKKGWKJUMCLY-HIFRSBDPSA-N -1 1 287.290 1.919 10 0 CDAEMM Cc1ccc(F)c(-c2cc(=NC(=O)Cn3ccnc3)[nH][n-]2)c1 ZINC000581641248 373141161 /nfs/dbraw/zinc/14/11/61/373141161.db2.gz ZSZGWDHAOFVRJN-UHFFFAOYSA-N -1 1 299.309 1.781 10 0 CDAEMM CCC[C@@H](C)C1(C[C@H](C)OC(C)=O)C(=O)[N-]C(=O)NC1=O ZINC000003623700 373667616 /nfs/dbraw/zinc/66/76/16/373667616.db2.gz WWEAFJWITUMUJE-BDAKNGLRSA-N -1 1 298.339 1.117 10 0 CDAEMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000289521951 197388587 /nfs/dbraw/zinc/38/85/87/197388587.db2.gz LKWYQURHUIYUGC-RQJHMYQMSA-N -1 1 297.298 1.806 10 0 CDAEMM CCOC(=O)CC[C@H](C)NC(=O)c1ncc(C)cc1[O-] ZINC000427524221 247158063 /nfs/dbraw/zinc/15/80/63/247158063.db2.gz JZJZWZKKTJODLZ-JTQLQIEISA-N -1 1 280.324 1.557 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000631215196 376014282 /nfs/dbraw/zinc/01/42/82/376014282.db2.gz MWBJORJHPOWAJU-NSHDSACASA-N -1 1 298.350 1.148 10 0 CDAEMM Cc1csc([C@@H](NC(=O)CCc2nn[n-]n2)C2CC2)n1 ZINC000631504775 376322563 /nfs/dbraw/zinc/32/25/63/376322563.db2.gz YVKKNGBZLIKWMK-NSHDSACASA-N -1 1 292.368 1.165 10 0 CDAEMM C[C@H]1Cc2ccccc2CN1C(=O)CCc1nn[n-]n1 ZINC000631504714 376322670 /nfs/dbraw/zinc/32/26/70/376322670.db2.gz MWLIQYOADCKTST-JTQLQIEISA-N -1 1 271.324 1.106 10 0 CDAEMM COc1cc2n[nH+]c(C(=O)[O-])c([O-])c2cc1Br ZINC000098180359 295045273 /nfs/dbraw/zinc/04/52/73/295045273.db2.gz GNPLYSQHMYSTFK-UHFFFAOYSA-N -1 1 299.080 1.805 10 0 CDAEMM CCN1CN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1=O ZINC000331236776 376786921 /nfs/dbraw/zinc/78/69/21/376786921.db2.gz MPLCTIVVONJETM-UHFFFAOYSA-N -1 1 298.726 1.316 10 0 CDAEMM C[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccncc1 ZINC000632054141 376956618 /nfs/dbraw/zinc/95/66/18/376956618.db2.gz NDMDTINSHNDGAG-CMPLNLGQSA-N -1 1 286.339 1.104 10 0 CDAEMM Cc1nc(S(=O)(=O)[N-]CCc2cn[nH]c2)sc1C ZINC000632344258 377317196 /nfs/dbraw/zinc/31/71/96/377317196.db2.gz UJPXEGHNROYXOE-UHFFFAOYSA-N -1 1 286.382 1.004 10 0 CDAEMM CCc1cc(NC(=O)CCc2nn[n-]n2)c2ccccc2n1 ZINC000632372719 377354537 /nfs/dbraw/zinc/35/45/37/377354537.db2.gz BSFQUGJYUSOXSJ-UHFFFAOYSA-N -1 1 296.334 1.304 10 0 CDAEMM O=C(CCc1nn[n-]n1)NCc1ccc(Cl)cc1F ZINC000632569419 377616261 /nfs/dbraw/zinc/61/62/61/377616261.db2.gz IOBHTYUHLZLRTL-UHFFFAOYSA-N -1 1 283.694 1.241 10 0 CDAEMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)sn1 ZINC000632585813 377639540 /nfs/dbraw/zinc/63/95/40/377639540.db2.gz CYDPIKRGVRGSOF-ZETCQYMHSA-N -1 1 282.337 1.775 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1CCC[C@H](c2ccccc2)C1 ZINC000633190831 378191390 /nfs/dbraw/zinc/19/13/90/378191390.db2.gz IDLKXSVXWZDFEY-ZDUSSCGKSA-N -1 1 285.351 1.539 10 0 CDAEMM O=C(CCc1nn[n-]n1)N1CCn2c(cc3ccccc32)C1 ZINC000633159703 378166025 /nfs/dbraw/zinc/16/60/25/378166025.db2.gz GUCGUFXIUWKKCL-UHFFFAOYSA-N -1 1 296.334 1.129 10 0 CDAEMM CC(C)c1n[n-]c(=NCCCCN2CCOCC2)o1 ZINC000450254425 251195035 /nfs/dbraw/zinc/19/50/35/251195035.db2.gz INZILIHJYKQTLV-UHFFFAOYSA-N -1 1 268.361 1.139 10 0 CDAEMM CC(C)[C@H]1C[C@@H](CNC(=O)c2cncc([O-])c2)CCO1 ZINC000452861223 252192517 /nfs/dbraw/zinc/19/25/17/252192517.db2.gz YGAXZWJVPLUIDK-SMDDNHRTSA-N -1 1 278.352 1.968 10 0 CDAEMM C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)ccc2[O-])C1 ZINC000646933709 390308653 /nfs/dbraw/zinc/30/86/53/390308653.db2.gz HZYGBZZFGRJGAI-CABZTGNLSA-N -1 1 264.300 1.307 10 0 CDAEMM Cc1cnc(C(=O)N2CC[C@@H](O)C23CCCC3)c([O-])c1 ZINC000647135496 390504492 /nfs/dbraw/zinc/50/44/92/390504492.db2.gz NWFAHDCAGMQLKC-GFCCVEGCSA-N -1 1 276.336 1.615 10 0 CDAEMM CC(=O)CCC(C)(C)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000358380309 390611539 /nfs/dbraw/zinc/61/15/39/390611539.db2.gz FZKCXTILPBFYCF-VIFPVBQESA-N -1 1 281.360 1.157 10 0 CDAEMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)nc1 ZINC000647267201 390889692 /nfs/dbraw/zinc/88/96/92/390889692.db2.gz MBMYGNPBANLJEC-LLVKDONJSA-N -1 1 286.353 1.257 10 0 CDAEMM Cn1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1=O ZINC000336370519 391137885 /nfs/dbraw/zinc/13/78/85/391137885.db2.gz MWQDCIACVTYXSJ-UHFFFAOYSA-N -1 1 278.695 1.997 10 0 CDAEMM COc1cc(C(=O)N2CCOC[C@H]2C)cc(Cl)c1[O-] ZINC000153559746 533522679 /nfs/dbraw/zinc/52/26/79/533522679.db2.gz PEKJSERXVVGLFT-MRVPVSSYSA-N -1 1 285.727 1.915 10 0 CDAEMM Cc1cnc(C(=O)N[C@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000416354232 391288886 /nfs/dbraw/zinc/28/88/86/391288886.db2.gz NTTRARNDRMPHKI-VIFPVBQESA-N -1 1 285.294 1.165 10 0 CDAEMM C[C@H]1CCN(Cc2nc(=O)[n-][nH]2)[C@@H](c2ccco2)C1 ZINC000271217265 391290485 /nfs/dbraw/zinc/29/04/85/391290485.db2.gz XYTJYLWAQUXUSR-VHSXEESVSA-N -1 1 262.313 1.664 10 0 CDAEMM CCn1cc(CN[C@@H](C(=O)[O-])c2ccccc2OC)cn1 ZINC000417565651 391672425 /nfs/dbraw/zinc/67/24/25/391672425.db2.gz HDLQZVBZANTTPT-CQSZACIVSA-N -1 1 289.335 1.827 10 0 CDAEMM CCC[C@@H](NC(=O)[C@@H](C)CC(F)(F)F)c1nn[n-]n1 ZINC000457616011 392166988 /nfs/dbraw/zinc/16/69/88/392166988.db2.gz ACOGZJDEPHTEMM-NKWVEPMBSA-N -1 1 279.266 1.746 10 0 CDAEMM COc1cc(C(=O)NC(C)(C)CCO)cc(Cl)c1[O-] ZINC000442803839 392321731 /nfs/dbraw/zinc/32/17/31/392321731.db2.gz VDKJBJBWASHBMS-UHFFFAOYSA-N -1 1 287.743 1.945 10 0 CDAEMM COc1cc(C(=O)N[C@@H](C)c2ncon2)cc(Cl)c1[O-] ZINC000442794629 392317464 /nfs/dbraw/zinc/31/74/64/392317464.db2.gz AMPHFVVXDIYCEB-LURJTMIESA-N -1 1 297.698 1.928 10 0 CDAEMM CC(C)n1cc(C(=O)[N-]c2nnc(C(F)F)s2)nn1 ZINC000432902191 392294118 /nfs/dbraw/zinc/29/41/18/392294118.db2.gz RSMXLZZELOAYFY-UHFFFAOYSA-N -1 1 288.283 1.900 10 0 CDAEMM CN(C)C(=O)c1ccc(=NCC2(C3CCC3)CCC2)[n-]n1 ZINC000574380791 392582369 /nfs/dbraw/zinc/58/23/69/392582369.db2.gz TUDJXMPPEVTMOE-UHFFFAOYSA-N -1 1 288.395 1.983 10 0 CDAEMM CNC(=O)c1ccc(=NC[C@@H]2CCCC(C)(C)C2)[n-]n1 ZINC000450930705 393013404 /nfs/dbraw/zinc/01/34/04/393013404.db2.gz XLDOCLJBWIZKQW-LLVKDONJSA-N -1 1 276.384 1.886 10 0 CDAEMM Cc1ccc(-c2n[n-]c(NC(=O)c3cccn(C)c3=O)n2)o1 ZINC000358993147 292031267 /nfs/dbraw/zinc/03/12/67/292031267.db2.gz APGYTADQJLLRCB-UHFFFAOYSA-N -1 1 299.290 1.324 10 0 CDAEMM O=C(c1ccc(F)c([O-])c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001583431023 1172758730 /nfs/dbraw/zinc/75/87/30/1172758730.db2.gz YVKYOJPUVODEKD-OCAPTIKFSA-N -1 1 257.211 1.868 10 0 CDAEMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(O)cc(F)c1 ZINC000179331059 148106924 /nfs/dbraw/zinc/10/69/24/148106924.db2.gz QQQZSWWBBKQYPL-LLVKDONJSA-N -1 1 275.301 1.452 10 0 CDAEMM C[C@@](N)(C(=O)NCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000315591613 149258590 /nfs/dbraw/zinc/25/85/90/149258590.db2.gz JUQBUZBIWKZOKY-KRWDZBQOSA-N -1 1 298.342 1.875 10 0 CDAEMM O=C(c1cc(F)ccc1[O-])N1CC2(C1)CCCOC2 ZINC000336143801 151308079 /nfs/dbraw/zinc/30/80/79/151308079.db2.gz VGPWKZVCDPNBOB-UHFFFAOYSA-N -1 1 265.284 1.784 10 0 CDAEMM CSCCCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000346337553 153145351 /nfs/dbraw/zinc/14/53/51/153145351.db2.gz SXVHCBGWZIKVTO-UHFFFAOYSA-N -1 1 269.374 1.228 10 0 CDAEMM CO[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])CC[C@@H]1C ZINC000346817792 153311470 /nfs/dbraw/zinc/31/14/70/153311470.db2.gz GAZFBJUIBKEVMC-CMPLNLGQSA-N -1 1 264.325 1.593 10 0 CDAEMM CCO[C@H](C(=O)NC1(c2nn[n-]n2)CC1)c1ccccc1 ZINC000348295640 153853189 /nfs/dbraw/zinc/85/31/89/153853189.db2.gz XUTAUZPPUJMSBQ-NSHDSACASA-N -1 1 287.323 1.083 10 0 CDAEMM Cc1cccc2c(CC(=O)NC3(c4nn[n-]n4)CC3)c[nH]c21 ZINC000352196898 155014995 /nfs/dbraw/zinc/01/49/95/155014995.db2.gz HLOHXXJHXLDAKE-UHFFFAOYSA-N -1 1 296.334 1.337 10 0 CDAEMM Cc1noc(C)c1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352331966 155101091 /nfs/dbraw/zinc/10/10/91/155101091.db2.gz SEJGCJBDCGHIFS-UHFFFAOYSA-N -1 1 298.286 1.912 10 0 CDAEMM Cc1cnc(C(=O)NC[C@]2(O)CCC[C@H]2C)c([O-])c1 ZINC000359810059 158385976 /nfs/dbraw/zinc/38/59/76/158385976.db2.gz RKKCYLDEOOAICP-QMTHXVAHSA-N -1 1 264.325 1.377 10 0 CDAEMM Cc1ccc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)s1 ZINC000372376410 160114023 /nfs/dbraw/zinc/11/40/23/160114023.db2.gz ZOTBASSYGWTXCP-JTQLQIEISA-N -1 1 291.380 1.518 10 0 CDAEMM COCc1nocc1C(=O)[N-]c1ccnc(F)c1F ZINC001586660459 1172954672 /nfs/dbraw/zinc/95/46/72/1172954672.db2.gz KAHFVAYUAHNGSO-UHFFFAOYSA-N -1 1 269.207 1.747 10 0 CDAEMM CCC1(O)CCN(C(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001586970067 1172967103 /nfs/dbraw/zinc/96/71/03/1172967103.db2.gz KMVNKJYSDZHSQO-UHFFFAOYSA-N -1 1 291.347 1.890 10 0 CDAEMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)[nH]n1 ZINC000008697097 170346036 /nfs/dbraw/zinc/34/60/36/170346036.db2.gz XRIDCNCLUVURAE-UHFFFAOYSA-N -1 1 269.301 1.966 10 0 CDAEMM CCCc1cc(=O)[n-]c(Sc2ccncc2N)n1 ZINC000020370907 171167741 /nfs/dbraw/zinc/16/77/41/171167741.db2.gz DPSOCVYIIJVDBH-UHFFFAOYSA-N -1 1 262.338 1.851 10 0 CDAEMM 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/nfs/dbraw/zinc/27/02/11/964270211.db2.gz HGGCJMRRXPAOGF-UHFFFAOYSA-N -1 1 286.335 1.293 10 0 CDAEMM O=C(NC[C@H]1CCCC[C@@H]1O)c1cccc([O-])c1F ZINC001556623103 965066763 /nfs/dbraw/zinc/06/67/63/965066763.db2.gz XFWBSZIBTCQTPN-KOLCDFICSA-N -1 1 267.300 1.812 10 0 CDAEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc2cc[nH]c2n1 ZINC001558162569 965240420 /nfs/dbraw/zinc/24/04/20/965240420.db2.gz KVPCYNMPFIWKHB-UHFFFAOYSA-N -1 1 299.338 1.374 10 0 CDAEMM COC(=Cc1ccccc1)C(=O)Nc1c[n-][nH]c1=O ZINC001558988645 965385390 /nfs/dbraw/zinc/38/53/90/965385390.db2.gz ZLENTLBSSUHAHE-XFFZJAGNSA-N -1 1 259.265 1.741 10 0 CDAEMM CC(C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)=C1CCCC1 ZINC001347305487 965464976 /nfs/dbraw/zinc/46/49/76/965464976.db2.gz LKYFELJDUWZOFI-GFCCVEGCSA-N -1 1 289.383 1.871 10 0 CDAEMM O=C(C=C1CCC1)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001348164134 965856080 /nfs/dbraw/zinc/85/60/80/965856080.db2.gz AZTWQSDHGJXDHP-NSHDSACASA-N -1 1 261.329 1.091 10 0 CDAEMM CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc([O-])c1F ZINC001445676682 966279151 /nfs/dbraw/zinc/27/91/51/966279151.db2.gz ZRPYNKRRXLFLMZ-KCJUWKMLSA-N -1 1 255.289 1.668 10 0 CDAEMM COCCOCCCNC(=O)c1cccc([O-])c1F ZINC001540550079 967147691 /nfs/dbraw/zinc/14/76/91/967147691.db2.gz HHCKADCWXXJZDI-UHFFFAOYSA-N -1 1 271.288 1.314 10 0 CDAEMM CN(C)C(=O)O[C@H]1CCN(C(=O)c2cccc([O-])c2F)C1 ZINC001450017991 967617164 /nfs/dbraw/zinc/61/71/64/967617164.db2.gz UHVZFNHFEIAQGO-VIFPVBQESA-N -1 1 296.298 1.444 10 0 CDAEMM C[C@H](Cc1ccco1)C(=O)NC1(c2nn[n-]n2)CCC1 ZINC001455346178 968685845 /nfs/dbraw/zinc/68/58/45/968685845.db2.gz FFMFKWCMZCOUEK-SECBINFHSA-N -1 1 275.312 1.167 10 0 CDAEMM O=C([N-]c1nncs1)c1csc(-c2ncc[nH]2)n1 ZINC001356402772 969390527 /nfs/dbraw/zinc/39/05/27/969390527.db2.gz UHKXHIVZLDCHGD-UHFFFAOYSA-N -1 1 278.322 1.637 10 0 CDAEMM O=C(Nc1ccc(Cn2cncn2)cc1)c1cnncc1[O-] ZINC001464073496 969769419 /nfs/dbraw/zinc/76/94/19/969769419.db2.gz JUPLLLREHVWORO-UHFFFAOYSA-N -1 1 296.290 1.074 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ncc[nH]2)c1 ZINC001465169215 969848052 /nfs/dbraw/zinc/84/80/52/969848052.db2.gz QJZRSCWOZUIHIA-UHFFFAOYSA-N -1 1 259.265 1.166 10 0 CDAEMM CCC[C@@H](NC(=O)c1ccc(F)cc1N)c1nn[n-]n1 ZINC001465685534 969890197 /nfs/dbraw/zinc/89/01/97/969890197.db2.gz SSUAKMAMZBBCSI-SNVBAGLBSA-N -1 1 278.291 1.192 10 0 CDAEMM CSc1ncc(C(=O)N2CCCOC[C@@H]2C)c(=O)[n-]1 ZINC001466243651 969934702 /nfs/dbraw/zinc/93/47/02/969934702.db2.gz PJYYQJSGLPKRHM-QMMMGPOBSA-N -1 1 283.353 1.155 10 0 CDAEMM O=C(c1cnncc1[O-])N1CCc2c1cccc2F ZINC001466718982 969989089 /nfs/dbraw/zinc/98/90/89/969989089.db2.gz AFWAROROAQMDRL-UHFFFAOYSA-N -1 1 259.240 1.524 10 0 CDAEMM CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc([O-])c1F ZINC001466770674 969995776 /nfs/dbraw/zinc/99/57/76/969995776.db2.gz REVMMVRVXMTOCG-JQWIXIFHSA-N -1 1 283.299 1.455 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](O)[C@H](C)C2)c1 ZINC001467356798 970049863 /nfs/dbraw/zinc/04/98/63/970049863.db2.gz KZKNXWYXKKVTRD-ZWNOBZJWSA-N -1 1 277.320 1.356 10 0 CDAEMM CC(=O)CCCCCNC(=O)c1ccc([O-])cn1 ZINC001468024258 970118897 /nfs/dbraw/zinc/11/88/97/970118897.db2.gz AYBAARKTPYCAGQ-UHFFFAOYSA-N -1 1 250.298 1.666 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2Cc3cncn3C2)c1 ZINC001468260098 970141775 /nfs/dbraw/zinc/14/17/75/970141775.db2.gz MSXZZZGDHNAOEB-LLVKDONJSA-N -1 1 285.303 1.064 10 0 CDAEMM Cc1nn(C)c(=O)c(C(=O)Nc2cccc(F)c2[O-])c1C ZINC001471166601 970402415 /nfs/dbraw/zinc/40/24/15/970402415.db2.gz MRHGCWWXJDSQPO-UHFFFAOYSA-N -1 1 291.282 1.494 10 0 CDAEMM O=C(CNC(=O)c1cccc([O-])c1F)c1cncs1 ZINC001472176846 970594379 /nfs/dbraw/zinc/59/43/79/970594379.db2.gz OLTZDKHRZHAJFI-UHFFFAOYSA-N -1 1 280.280 1.601 10 0 CDAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccoc2)[n-]1 ZINC001361959829 970715520 /nfs/dbraw/zinc/71/55/20/970715520.db2.gz SBHVBFWBDZUXES-UHFFFAOYSA-N -1 1 290.275 1.778 10 0 CDAEMM CCC[C@@H]1C[C@H]1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001417719588 973327273 /nfs/dbraw/zinc/32/72/73/973327273.db2.gz LCWUGACZOFVWMV-BBBLOLIVSA-N -1 1 281.385 1.252 10 0 CDAEMM O=C(c1cccc([O-])c1F)N1CCC[C@]12CCOC2=O ZINC001417720572 973327826 /nfs/dbraw/zinc/32/78/26/973327826.db2.gz UFPMZASHOJBKMF-CQSZACIVSA-N -1 1 279.267 1.453 10 0 CDAEMM CCCCC(=O)N(C)C1CN(C(=O)c2ncccc2[O-])C1 ZINC001400714935 977153772 /nfs/dbraw/zinc/15/37/72/977153772.db2.gz AQBDQHCJOZKNDX-UHFFFAOYSA-N -1 1 291.351 1.260 10 0 CDAEMM CS(=O)(=O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001598582460 1174318635 /nfs/dbraw/zinc/31/86/35/1174318635.db2.gz BPVNWZSYMKRJLW-UHFFFAOYSA-N -1 1 281.692 1.168 10 0 CDAEMM Cc1c(C(=O)Nc2cc(F)cc(F)c2[O-])cnn1C ZINC001570464771 1170165859 /nfs/dbraw/zinc/16/58/59/1170165859.db2.gz PMWQCDZYOMVRIF-UHFFFAOYSA-N -1 1 267.235 1.965 10 0 CDAEMM CCC[C@H](C)C(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001650594774 1171220483 /nfs/dbraw/zinc/22/04/83/1171220483.db2.gz YWGAKSQVVQGGTJ-VIFPVBQESA-N -1 1 281.356 1.978 10 0 CDAEMM CC(C)COc1ccccc1-c1ncc(C(N)=O)c(=O)[n-]1 ZINC000039291437 342551431 /nfs/dbraw/zinc/55/14/31/342551431.db2.gz WVJYIBLJGJMIHO-UHFFFAOYSA-N -1 1 287.319 1.571 10 0 CDAEMM CS[C@H](CNC(=O)CCc1nn[n-]n1)C(C)(C)C ZINC000601428697 342561978 /nfs/dbraw/zinc/56/19/78/342561978.db2.gz PFOXZHJEQHBMJE-MRVPVSSYSA-N -1 1 271.390 1.026 10 0 CDAEMM FC(F)(F)c1nc(=N[C@H]2CO[C@@H](C3CC3)C2)s[n-]1 ZINC000624674974 342008251 /nfs/dbraw/zinc/00/82/51/342008251.db2.gz JTAJTEZYLDETOX-RNFRBKRXSA-N -1 1 279.287 1.958 10 0 CDAEMM CO[C@@]1(CO)CCCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000401731633 342641292 /nfs/dbraw/zinc/64/12/92/342641292.db2.gz VBCLLCFQVLAXGD-AWEZNQCLSA-N -1 1 283.299 1.145 10 0 CDAEMM CCC(F)(F)C[N-]S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000625470154 342172859 /nfs/dbraw/zinc/17/28/59/342172859.db2.gz ZZKCADBSWGYMHM-AOOOYVTPSA-N -1 1 284.372 1.844 10 0 CDAEMM O=C(N[C@H]1C[C@@H](O)C12CCC2)c1ncc2ccccc2c1[O-] ZINC000619074416 349616974 /nfs/dbraw/zinc/61/69/74/349616974.db2.gz YTBMMSWOGGTICA-QWHCGFSZSA-N -1 1 298.342 1.974 10 0 CDAEMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H](O)C1CCC1 ZINC000629380904 361882803 /nfs/dbraw/zinc/88/28/03/361882803.db2.gz ZMTRJWSIXUNTLR-CQSZACIVSA-N -1 1 287.319 1.677 10 0 CDAEMM C[C@H]1CN(CC2(C(=O)[O-])CC2)C[C@H](CC(F)(F)F)O1 ZINC000659805456 412497669 /nfs/dbraw/zinc/49/76/69/412497669.db2.gz RYDDOGVIUWRYHK-IUCAKERBSA-N -1 1 281.274 1.893 10 0 CDAEMM O=C(NC1CCCC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000169785291 362126896 /nfs/dbraw/zinc/12/68/96/362126896.db2.gz DDBAEXAGPBURLM-VIFPVBQESA-N -1 1 264.333 1.031 10 0 CDAEMM CCC(=O)N[C@H]1CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000081958331 342374676 /nfs/dbraw/zinc/37/46/76/342374676.db2.gz FWBSKGLZUZDEEA-NSHDSACASA-N -1 1 294.326 1.662 10 0 CDAEMM COCc1nc(=NC[C@H](CC(=O)OC)C2CC2)s[n-]1 ZINC000596491285 343330676 /nfs/dbraw/zinc/33/06/76/343330676.db2.gz JVQGUNHNOJDRMM-VIFPVBQESA-N -1 1 285.369 1.108 10 0 CDAEMM CCc1nc(S(=O)(=O)Cc2ncc(C3CC3)o2)n[n-]1 ZINC000535507813 282259379 /nfs/dbraw/zinc/25/93/79/282259379.db2.gz PRPJSXRGPHTZMK-UHFFFAOYSA-N -1 1 282.325 1.206 10 0 CDAEMM CCC[C@@H](NC(=O)[C@H](OC)C1CCCCC1)c1nn[n-]n1 ZINC000612060315 346998021 /nfs/dbraw/zinc/99/80/21/346998021.db2.gz JNMYHLUOPSVNJL-VXGBXAGGSA-N -1 1 295.387 1.752 10 0 CDAEMM C/C=C/C[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000599475101 344062565 /nfs/dbraw/zinc/06/25/65/344062565.db2.gz GUIYXLQTKUADTM-HWKANZROSA-N -1 1 273.310 1.311 10 0 CDAEMM CCOC(=O)[C@H](CC)C([O-])=Nc1nc(C(C)(C)C)ns1 ZINC000411971647 362331237 /nfs/dbraw/zinc/33/12/37/362331237.db2.gz JMYCWYJMXWRSAV-MRVPVSSYSA-N -1 1 299.396 1.785 10 0 CDAEMM CCOC(=O)c1nc([C@@H](C)NC(=O)[C@H]2CC=CCC2)n[n-]1 ZINC000603159392 344724425 /nfs/dbraw/zinc/72/44/25/344724425.db2.gz BIKKSVJUHKDNQA-ZJUUUORDSA-N -1 1 292.339 1.515 10 0 CDAEMM CCOC(=O)c1nnc([C@@H](C)NC(=O)[C@H]2CC=CCC2)[n-]1 ZINC000603159392 344724427 /nfs/dbraw/zinc/72/44/27/344724427.db2.gz BIKKSVJUHKDNQA-ZJUUUORDSA-N -1 1 292.339 1.515 10 0 CDAEMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)[C@H]2CC=CCC2)n1 ZINC000603159392 344724429 /nfs/dbraw/zinc/72/44/29/344724429.db2.gz BIKKSVJUHKDNQA-ZJUUUORDSA-N -1 1 292.339 1.515 10 0 CDAEMM O=C([O-])c1cc(NS(=O)(=O)c2cccnc2)ccc1F ZINC000037591494 346360625 /nfs/dbraw/zinc/36/06/25/346360625.db2.gz FIYXZERYEIYLTP-UHFFFAOYSA-N -1 1 296.279 1.720 10 0 CDAEMM Cc1cc(CNCc2nnn[n-]2)ccc1Br ZINC000085706869 179121916 /nfs/dbraw/zinc/12/19/16/179121916.db2.gz RNISTXUTNRCAPS-UHFFFAOYSA-N -1 1 282.145 1.560 10 0 CDAEMM Cc1cc(CNCc2nn[n-]n2)ccc1Br ZINC000085706869 179121917 /nfs/dbraw/zinc/12/19/17/179121917.db2.gz RNISTXUTNRCAPS-UHFFFAOYSA-N -1 1 282.145 1.560 10 0 CDAEMM CO[C@H](CCNC(=O)c1cncc([O-])c1)C(F)(F)F ZINC000355056433 365869298 /nfs/dbraw/zinc/86/92/98/365869298.db2.gz BHILYLGQRYYJSU-SECBINFHSA-N -1 1 278.230 1.484 10 0 CDAEMM Cc1cnc(C(=O)N[C@@]2(C)CCCOC2)c([O-])c1 ZINC000408371330 302335483 /nfs/dbraw/zinc/33/54/83/302335483.db2.gz AXGOQWQNLKWIQA-ZDUSSCGKSA-N -1 1 250.298 1.395 10 0 CDAEMM C[C@H](CC(=O)N1CCC[C@H](c2nn[n-]n2)C1)[C@@H]1CCCO1 ZINC000612818415 347287496 /nfs/dbraw/zinc/28/74/96/347287496.db2.gz VUFKAAYEXLFGOX-WOPDTQHZSA-N -1 1 293.371 1.111 10 0 CDAEMM O=C(NC[C@H]1CCCC[C@H]1O)c1cncc([O-])c1 ZINC000085983050 179209822 /nfs/dbraw/zinc/20/98/22/179209822.db2.gz VFNVIGAXCJHSID-BXKDBHETSA-N -1 1 250.298 1.068 10 0 CDAEMM O=C([C@H]1C[C@H]2C[C@H]2C1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614475945 348122546 /nfs/dbraw/zinc/12/25/46/348122546.db2.gz YAGVNXJRTNCYFN-URLYPYJESA-N -1 1 277.324 1.527 10 0 CDAEMM CCC[C@@H](NC(=O)c1cccc2nccnc21)c1nn[n-]n1 ZINC000273382005 192133216 /nfs/dbraw/zinc/13/32/16/192133216.db2.gz DXWMWZBRMNNVGI-LLVKDONJSA-N -1 1 297.322 1.414 10 0 CDAEMM O=C(Nc1c([O-])cccc1F)C1CN(CC(F)F)C1 ZINC000618032451 349372812 /nfs/dbraw/zinc/37/28/12/349372812.db2.gz IFQLXAJCQAFBOG-UHFFFAOYSA-N -1 1 274.242 1.667 10 0 CDAEMM Cc1cnc(C(=O)N2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000620136500 350060530 /nfs/dbraw/zinc/06/05/30/350060530.db2.gz GIFDMSXSDOVBJB-MNOVXSKESA-N -1 1 262.309 1.204 10 0 CDAEMM Cc1cc([N-]S(=O)(=O)c2cc(N)cc(F)c2)[nH]n1 ZINC000104432042 186000681 /nfs/dbraw/zinc/00/06/81/186000681.db2.gz LVMJWGMCYPDDLA-UHFFFAOYSA-N -1 1 270.289 1.240 10 0 CDAEMM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2N)[nH]n1 ZINC000104434782 186001366 /nfs/dbraw/zinc/00/13/66/186001366.db2.gz WEHUDHWBIPVYRV-UHFFFAOYSA-N -1 1 266.326 1.410 10 0 CDAEMM CC12CC(C1)CN2C(=O)c1csc(=NC2CC2)[n-]1 ZINC000621215965 350488992 /nfs/dbraw/zinc/48/89/92/350488992.db2.gz ZPKJEUWLWZDWIM-UHFFFAOYSA-N -1 1 263.366 1.764 10 0 CDAEMM C[C@@H]1CCC[C@H](C)CN1C(=O)CCc1nn[n-]n1 ZINC000631480657 363173960 /nfs/dbraw/zinc/17/39/60/363173960.db2.gz QMRCUNLAIKNHPU-VHSXEESVSA-N -1 1 251.334 1.169 10 0 CDAEMM CCC(O)(CC)CN(C)C(=O)c1ncc(C)cc1[O-] ZINC000629635855 363233610 /nfs/dbraw/zinc/23/36/10/363233610.db2.gz IBPSGOGIQWHVHQ-UHFFFAOYSA-N -1 1 266.341 1.719 10 0 CDAEMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176210456 366286123 /nfs/dbraw/zinc/28/61/23/366286123.db2.gz UGTARTMPWMTSMH-CYBMUJFWSA-N -1 1 272.308 1.878 10 0 CDAEMM O=c1c2c([n-]n1[C@@H]1CCC[C@H]1O)-c1ccccc1CC2 ZINC000634632880 356606067 /nfs/dbraw/zinc/60/60/67/356606067.db2.gz 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/nfs/dbraw/zinc/51/79/04/618517904.db2.gz BLBDTMCHRNKIKL-RDBSUJKOSA-N -1 1 294.395 1.335 10 0 CDAEMM CC[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000867568585 618553473 /nfs/dbraw/zinc/55/34/73/618553473.db2.gz MYJXCWQMHHRCEH-BMLIUANNSA-N -1 1 294.442 1.519 10 0 CDAEMM O=C([O-])C1(CNC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000902087042 618569250 /nfs/dbraw/zinc/56/92/50/618569250.db2.gz JBJUOKDFUMFAJD-UHFFFAOYSA-N -1 1 291.282 1.687 10 0 CDAEMM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000909506111 619455828 /nfs/dbraw/zinc/45/58/28/619455828.db2.gz VWEFFQQKGSZMMY-LLVKDONJSA-N -1 1 299.330 1.780 10 0 CDAEMM CCCC[C@H](NC(=O)[C@H]1CCc2[nH]cnc2C1)C(=O)[O-] ZINC000909507854 619473758 /nfs/dbraw/zinc/47/37/58/619473758.db2.gz UQCDSUVXMHYSDR-ONGXEEELSA-N -1 1 279.340 1.274 10 0 CDAEMM C[C@@H](OCC1CC1)C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1 ZINC000898870562 621915535 /nfs/dbraw/zinc/91/55/35/621915535.db2.gz WLXASXHWCAKDPT-JGVFFNPUSA-N -1 1 253.302 1.108 10 0 CDAEMM O=C(c1c([O-])cnc2c(F)cccc21)N(CCO)C1CC1 ZINC000901084052 623861875 /nfs/dbraw/zinc/86/18/75/623861875.db2.gz CMXRIQZHVZPKNL-UHFFFAOYSA-N -1 1 290.294 1.676 10 0 CDAEMM C[C@@H](CO)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC000901196664 623977731 /nfs/dbraw/zinc/97/77/31/623977731.db2.gz FLJJZJKBBYVYJF-QMMMGPOBSA-N -1 1 278.283 1.532 10 0 CDAEMM CCc1cc(=O)[n-]c(C[N@@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903629364 626043129 /nfs/dbraw/zinc/04/31/29/626043129.db2.gz BYTXLHKYIFKJLS-NXEZZACHSA-N -1 1 279.340 1.287 10 0 CDAEMM CCc1cc(=O)[n-]c(C[N@H+]2C[C@@H](C)[C@H](CC(=O)[O-])C2)n1 ZINC000903629364 626043131 /nfs/dbraw/zinc/04/31/31/626043131.db2.gz BYTXLHKYIFKJLS-NXEZZACHSA-N -1 1 279.340 1.287 10 0 CDAEMM O=C(CC1(O)CCOCC1)Nc1c([O-])cccc1F ZINC000907140555 627542389 /nfs/dbraw/zinc/54/23/89/627542389.db2.gz WOOYYXIQACFYAP-UHFFFAOYSA-N -1 1 269.272 1.401 10 0 CDAEMM CC(C)=C(C)CC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000907479566 627695573 /nfs/dbraw/zinc/69/55/73/627695573.db2.gz FOGBPUFWUIVTNC-JTQLQIEISA-N -1 1 281.385 1.563 10 0 CDAEMM CC1(CC(=O)N2CCSC[C@@H]2c2nn[n-]n2)CCCC1 ZINC000907481661 627696797 /nfs/dbraw/zinc/69/67/97/627696797.db2.gz XMSSBDXQGNPOPO-SNVBAGLBSA-N -1 1 295.412 1.787 10 0 CDAEMM Cc1cc(Br)c(CC(=O)[N-]OCCO)s1 ZINC000907482568 627697844 /nfs/dbraw/zinc/69/78/44/627697844.db2.gz IKAQBHPTBYDPSE-UHFFFAOYSA-N -1 1 294.170 1.402 10 0 CDAEMM C[C@H](C(=O)[N-]OCCC(F)(F)F)[C@@H]1CCCO1 ZINC000907542219 627707635 /nfs/dbraw/zinc/70/76/35/627707635.db2.gz AHWVHWGRQHBONH-YUMQZZPRSA-N -1 1 255.236 1.802 10 0 CDAEMM Cc1cc(C)c(CC(=O)[N-]OCC(C)(C)O)s1 ZINC000907794608 627839438 /nfs/dbraw/zinc/83/94/38/627839438.db2.gz QWWMIYJSMLNNBG-UHFFFAOYSA-N -1 1 257.355 1.726 10 0 CDAEMM CC(=O)CCCCCNC(=O)c1ncc(C)cc1[O-] ZINC000909098423 628512595 /nfs/dbraw/zinc/51/25/95/628512595.db2.gz LHQTTWBZLNGBFT-UHFFFAOYSA-N -1 1 264.325 1.975 10 0 CDAEMM CCC[C@@H](CNC(=O)[C@H]1CCCc2[nH]ncc21)C(=O)[O-] ZINC000909808620 628683879 /nfs/dbraw/zinc/68/38/79/628683879.db2.gz KMVZGRLDELRLNX-UWVGGRQHSA-N -1 1 279.340 1.447 10 0 CDAEMM O=C(CN1CCC[C@H](C(=O)[O-])C1)NC[C@H]1CCCC12CC2 ZINC000910255557 628934095 /nfs/dbraw/zinc/93/40/95/628934095.db2.gz SBAWMFGCHWAFGH-QWHCGFSZSA-N -1 1 294.395 1.480 10 0 CDAEMM C[C@H]1CCCCN1[N-]C(=O)C(F)(F)C1CCOCC1 ZINC000912144156 629815588 /nfs/dbraw/zinc/81/55/88/629815588.db2.gz JPPMTBVTHJMWGZ-JTQLQIEISA-N -1 1 276.327 1.954 10 0 CDAEMM CSc1nc(CNC(=O)C=CC2CC2)cc(=O)[n-]1 ZINC000912246063 629883011 /nfs/dbraw/zinc/88/30/11/629883011.db2.gz BGPZHNYBQUOBCN-SNAWJCMRSA-N -1 1 265.338 1.487 10 0 CDAEMM C[C@]1(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C[C@H]2C[C@H]2C1 ZINC000913438727 630481120 /nfs/dbraw/zinc/48/11/20/630481120.db2.gz TZVDEJGAYYYSML-RSUWNVLCSA-N -1 1 297.362 1.842 10 0 CDAEMM O=C(c1ccc([O-])c(F)c1)N1CCN[C@@H](c2cn[nH]c2)C1 ZINC000913451514 630484705 /nfs/dbraw/zinc/48/47/05/630484705.db2.gz NWARQHJYWRGIPF-GFCCVEGCSA-N -1 1 290.298 1.041 10 0 CDAEMM O=C(c1cscc1Cl)N1CCOC[C@H]1c1nn[n-]n1 ZINC000913494364 630500919 /nfs/dbraw/zinc/50/09/19/630500919.db2.gz XJYJYEPJEDUZCX-QMMMGPOBSA-N -1 1 299.743 1.128 10 0 CDAEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000923998858 630799687 /nfs/dbraw/zinc/79/96/87/630799687.db2.gz PAYAVTTVIAWZON-AOOOYVTPSA-N -1 1 291.376 1.495 10 0 CDAEMM CCCc1cc(=O)[n-]c(S[C@@H]2CCN(OC)C2=O)n1 ZINC000915652201 631785726 /nfs/dbraw/zinc/78/57/26/631785726.db2.gz BYDMGWWIOOFMMH-SECBINFHSA-N -1 1 283.353 1.389 10 0 CDAEMM COc1ncc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)s1 ZINC000917389281 632207544 /nfs/dbraw/zinc/20/75/44/632207544.db2.gz MECAUOZQYFFRNX-QMMMGPOBSA-N -1 1 298.336 1.475 10 0 CDAEMM Cc1ccc(S(=O)(=O)[N-]CC2(Br)CC2)o1 ZINC000920058338 632715608 /nfs/dbraw/zinc/71/56/08/632715608.db2.gz SRGFQONELXLXON-UHFFFAOYSA-N -1 1 294.170 1.794 10 0 CDAEMM Cc1nc[nH]c(=O)c1CCC(=O)Nc1c([O-])cccc1F ZINC001648907860 1158608905 /nfs/dbraw/zinc/60/89/05/1158608905.db2.gz MRTQSOZAUPWXPN-UHFFFAOYSA-N -1 1 291.282 1.907 10 0 CDAEMM CNC(=O)CCCNC(=O)c1cc(Cl)ccc1[O-] ZINC000398122041 1159626751 /nfs/dbraw/zinc/62/67/51/1159626751.db2.gz QROTVENJGYRUKG-UHFFFAOYSA-N -1 1 270.716 1.302 10 0 CDAEMM Cn1ccc([N-]C(=O)C(=O)c2ccc(Cl)cc2)nc1=O ZINC001611487557 1165496885 /nfs/dbraw/zinc/49/68/85/1165496885.db2.gz WUZJDLIOXJHTET-UHFFFAOYSA-N -1 1 291.694 1.089 10 0 CDAEMM C[C@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2nccn21 ZINC001624154480 1165823634 /nfs/dbraw/zinc/82/36/34/1165823634.db2.gz YZHIVCPRXDWSNP-CABZTGNLSA-N -1 1 285.303 1.594 10 0 CDAEMM CCN(CC(=O)N(C)C)C(=O)c1cccc([O-])c1F ZINC001627351370 1165990840 /nfs/dbraw/zinc/99/08/40/1165990840.db2.gz BOAVGXRMOKXIPT-UHFFFAOYSA-N -1 1 268.288 1.082 10 0 CDAEMM C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Cl)ccc1[O-] ZINC000042439115 1166067137 /nfs/dbraw/zinc/06/71/37/1166067137.db2.gz BDYUIWYLAZLMQG-DTWKUNHWSA-N -1 1 296.754 1.772 10 0 CDAEMM COC(=O)CC(C)(C)NC(=O)c1ccc(F)c([O-])c1 ZINC001628501402 1166078239 /nfs/dbraw/zinc/07/82/39/1166078239.db2.gz NFNYBTPFFDYTCV-UHFFFAOYSA-N -1 1 269.272 1.603 10 0 CDAEMM Cc1nncn1-c1cccc(NC(=O)c2cnncc2[O-])c1 ZINC001631938132 1166317070 /nfs/dbraw/zinc/31/70/70/1166317070.db2.gz IPUGUCOVWFOYQI-UHFFFAOYSA-N -1 1 296.290 1.324 10 0 CDAEMM CCC[C@H](C)[C@H](CO)NC(=O)c1ccc([O-])cn1 ZINC001631994279 1166322694 /nfs/dbraw/zinc/32/26/94/1166322694.db2.gz KWNUAPCCYBLMLZ-CABZTGNLSA-N -1 1 252.314 1.314 10 0 CDAEMM O=C(Nc1cccc(F)c1[O-])c1csc(CO)n1 ZINC001632182830 1166333964 /nfs/dbraw/zinc/33/39/64/1166333964.db2.gz RXKDLKHBUQUDNZ-UHFFFAOYSA-N -1 1 268.269 1.732 10 0 CDAEMM NC(=O)c1ccc(C(=O)Nc2cccc(F)c2[O-])nc1 ZINC001632178630 1166334181 /nfs/dbraw/zinc/33/41/81/1166334181.db2.gz HYVVZVGBBDIXCZ-UHFFFAOYSA-N -1 1 275.239 1.278 10 0 CDAEMM CC[C@H](Nc1cccnc1Cl)C(=O)Nc1nnn[n-]1 ZINC001634297571 1166487875 /nfs/dbraw/zinc/48/78/75/1166487875.db2.gz UAGYABWCUOCHKY-LURJTMIESA-N -1 1 281.707 1.077 10 0 CDAEMM CC[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])[C@@H](C)O ZINC001636474200 1166677341 /nfs/dbraw/zinc/67/73/41/1166677341.db2.gz KNOGPWYVCUMVLD-BXKDBHETSA-N -1 1 265.309 1.402 10 0 CDAEMM Cc1[n-][nH]c(=O)c1NC(=O)c1cn(C)nc1Cl ZINC001637958651 1166806303 /nfs/dbraw/zinc/80/63/03/1166806303.db2.gz ZDPBJLSCQQYJOG-UHFFFAOYSA-N -1 1 255.665 1.063 10 0 CDAEMM O=C(Nc1ccncc1[O-])c1nccc2cccnc21 ZINC001638304761 1166837708 /nfs/dbraw/zinc/83/77/08/1166837708.db2.gz WWSBETVOIJRGRB-UHFFFAOYSA-N -1 1 266.260 1.405 10 0 CDAEMM Cc1cnc(Cl)c(C(=O)Nc2c[n-][nH]c2=O)c1 ZINC001638740585 1166870091 /nfs/dbraw/zinc/87/00/91/1166870091.db2.gz MMAZEFNFMMHBHQ-UHFFFAOYSA-N -1 1 252.661 1.724 10 0 CDAEMM CCn1nc(C(=O)Nc2cc(F)cc(F)c2[O-])ccc1=O ZINC001639452206 1166940721 /nfs/dbraw/zinc/94/07/21/1166940721.db2.gz ZVCCSMXHWBLZAP-UHFFFAOYSA-N -1 1 295.245 1.499 10 0 CDAEMM O=C(N[C@@H](CO)C1CCC1)c1cccc([O-])c1F ZINC001640357226 1167018817 /nfs/dbraw/zinc/01/88/17/1167018817.db2.gz MTGVHHWJUJRSNE-JTQLQIEISA-N -1 1 253.273 1.422 10 0 CDAEMM COC1(OC)CC(NC(=O)c2ccc(F)c([O-])c2)C1 ZINC001643116528 1167227730 /nfs/dbraw/zinc/22/77/30/1167227730.db2.gz IAEGEGDKMUKGGT-UHFFFAOYSA-N -1 1 269.272 1.413 10 0 CDAEMM CS[C@@H](C)CCC(=O)NC1(c2nn[n-]n2)CCC1 ZINC001643871443 1167276606 /nfs/dbraw/zinc/27/66/06/1167276606.db2.gz LEMJXVRCZVKXRJ-QMMMGPOBSA-N -1 1 269.374 1.227 10 0 CDAEMM Nc1nnc(CC(=O)Nc2c([O-])cccc2F)s1 ZINC001645071325 1167363671 /nfs/dbraw/zinc/36/36/71/1167363671.db2.gz NNCZSDOPLPWNKL-UHFFFAOYSA-N -1 1 268.273 1.146 10 0 CDAEMM Cc1ccncc1CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC001645092901 1167364992 /nfs/dbraw/zinc/36/49/92/1167364992.db2.gz YEKFDANJFMCCFB-UHFFFAOYSA-N -1 1 284.315 1.637 10 0 CDAEMM O=C(NC[C@@H]1COc2ccccc2O1)c1ccc([O-])cn1 ZINC001361622380 1167516382 /nfs/dbraw/zinc/51/63/82/1167516382.db2.gz DALZGFHAKHEQHZ-LLVKDONJSA-N -1 1 286.287 1.357 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)NCCO[C@H]2CCOC2)c1 ZINC001646304251 1167760929 /nfs/dbraw/zinc/76/09/29/1167760929.db2.gz BKKQBQVSLPHQMA-LBPRGKRZSA-N -1 1 293.319 1.048 10 0 CDAEMM C[C@H](CC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)C1CC1 ZINC001646995654 1168334605 /nfs/dbraw/zinc/33/46/05/1168334605.db2.gz WSINAPVUVDRFBT-GHMZBOCLSA-N -1 1 277.372 1.417 10 0 CDAEMM CC(C)(CNCc1cn(CC(=O)[O-])nn1)[C@H]1CCCCO1 ZINC001647411048 1168658536 /nfs/dbraw/zinc/65/85/36/1168658536.db2.gz IJBCXXHCJKRLGS-GFCCVEGCSA-N -1 1 296.371 1.048 10 0 CDAEMM O=C(Nc1cn(-c2ccccc2)nn1)c1cnncc1[O-] ZINC001648256826 1169111313 /nfs/dbraw/zinc/11/13/13/1169111313.db2.gz IXDQVBAKQOSQDQ-UHFFFAOYSA-N -1 1 282.263 1.015 10 0 CDAEMM CC[C@@H](F)C(=O)NC(C)(C)c1ncc(OC)c(=O)[n-]1 ZINC001649349264 1169227861 /nfs/dbraw/zinc/22/78/61/1169227861.db2.gz ONQQKYYYIMCBTE-SSDOTTSWSA-N -1 1 271.292 1.290 10 0 CDAEMM CCCCCc1cc(C(=O)N(C)Cc2nc(=O)o[n-]2)n[nH]1 ZINC001570743757 1170263584 /nfs/dbraw/zinc/26/35/84/1170263584.db2.gz UWHJDSFNYDKOPA-UHFFFAOYSA-N -1 1 293.327 1.091 10 0 CDAEMM CC(=Cc1ccncc1)C(=O)Nc1ccncc1[O-] ZINC001650783532 1171255498 /nfs/dbraw/zinc/25/54/98/1171255498.db2.gz PIGAJFLQBYYOSY-CSKARUKUSA-N -1 1 255.277 1.646 10 0 CDAEMM C[C@H]1CCCN(C(=O)c2ccc(CN)o2)[C@@H]1C(=O)[O-] ZINC000235624195 1178239329 /nfs/dbraw/zinc/23/93/29/1178239329.db2.gz FLGARMUJXQNVGZ-KWQFWETISA-N -1 1 266.297 1.064 10 0 CDAEMM O=C(NCCCCCCO)c1ccc([O-])cc1F ZINC000165752840 1181032818 /nfs/dbraw/zinc/03/28/18/1181032818.db2.gz HDTBVBGLAOHFPP-UHFFFAOYSA-N -1 1 255.289 1.814 10 0 CDAEMM Cc1coc(C(=O)N2CCC[C@@H](Cc3nn[n-]n3)C2)c1 ZINC001772464151 1187244088 /nfs/dbraw/zinc/24/40/88/1187244088.db2.gz RGTBJFUWKIXQSJ-JTQLQIEISA-N -1 1 275.312 1.196 10 0 CDAEMM CC(C)NC(=O)CN(C)C(=O)c1ccc(F)c([O-])c1 ZINC001135839631 1164180877 /nfs/dbraw/zinc/18/08/77/1164180877.db2.gz MTTYMYNERDTDIQ-UHFFFAOYSA-N -1 1 268.288 1.128 10 0 CDAEMM Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(C)(C)C)nn1 ZINC000867533741 1164835659 /nfs/dbraw/zinc/83/56/59/1164835659.db2.gz RCLFCLQLLNCQHK-UHFFFAOYSA-N -1 1 293.339 1.745 10 0 CDAEMM Nc1nc([O-])c(CC(=O)N[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000079743250 751546962 /nfs/dbraw/zinc/54/69/62/751546962.db2.gz HEVHPXIIVIQHAN-HBNTYKKESA-N -1 1 289.360 1.006 10 0 CDAEMM C[C@@H](COc1ccccc1)C(=O)[N-]OC(C)(C)CO ZINC000836804563 751949833 /nfs/dbraw/zinc/94/98/33/751949833.db2.gz DGRRABOTDSAJSW-NSHDSACASA-N -1 1 267.325 1.520 10 0 CDAEMM CCn1cc(Cl)c(C(=O)[N-]c2nc(C)no2)n1 ZINC001610006924 1165182549 /nfs/dbraw/zinc/18/25/49/1165182549.db2.gz VPAYBPXSLVFACK-UHFFFAOYSA-N -1 1 255.665 1.500 10 0 CDAEMM O=C(CC[C@H]1CCCCO1)N1CCC[C@@H]1c1nn[n-]n1 ZINC000095125391 752041071 /nfs/dbraw/zinc/04/10/71/752041071.db2.gz RFUDXQQAMPRMGW-GHMZBOCLSA-N -1 1 279.344 1.213 10 0 CDAEMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000848467690 752186781 /nfs/dbraw/zinc/18/67/81/752186781.db2.gz TZKQWKPRJUWFQC-CYBMUJFWSA-N -1 1 299.348 1.109 10 0 CDAEMM CNC(=O)NC[C@H]1CCCCN1c1cc(Cl)[n-]c(=O)n1 ZINC000866074696 749633295 /nfs/dbraw/zinc/63/32/95/749633295.db2.gz DXCCXKGXNGSRNQ-MRVPVSSYSA-N -1 1 299.762 1.124 10 0 CDAEMM O=C([O-])C[C@H](CNC(=O)c1ccc2cncn2c1)C1CC1 ZINC000851704825 749735754 /nfs/dbraw/zinc/73/57/54/749735754.db2.gz CQRMNWAXUFGTKM-GFCCVEGCSA-N -1 1 287.319 1.565 10 0 CDAEMM O=C(CCc1nn[n-]n1)Nc1cc2c(cn1)CCCC2 ZINC000868488814 749816578 /nfs/dbraw/zinc/81/65/78/749816578.db2.gz JADJVLHPKPLTTC-UHFFFAOYSA-N -1 1 272.312 1.045 10 0 CDAEMM CCc1cc(=O)n2[n-]c(NC(=O)C(F)=C3CCC3)nc2n1 ZINC000857683577 749914745 /nfs/dbraw/zinc/91/47/45/749914745.db2.gz FAZXJHUGVWHRHY-UHFFFAOYSA-N -1 1 291.286 1.326 10 0 CDAEMM CCc1cc(=O)n2[nH]c([N-]C(=O)C(F)=C3CCC3)nc2n1 ZINC000857683577 749914754 /nfs/dbraw/zinc/91/47/54/749914754.db2.gz FAZXJHUGVWHRHY-UHFFFAOYSA-N -1 1 291.286 1.326 10 0 CDAEMM Cn1[n-]cc2c(=NC(=O)N3CC(CC4CC4)C3)ccnc1-2 ZINC000856863493 750338801 /nfs/dbraw/zinc/33/88/01/750338801.db2.gz OLDDPTLSHWMVSA-UHFFFAOYSA-N -1 1 285.351 1.606 10 0 CDAEMM COc1cccc2c(C(=O)O[C@H]3CCCNC3=O)[nH]nc21 ZINC000808675218 750685216 /nfs/dbraw/zinc/68/52/16/750685216.db2.gz ZRDIZGSGKRGCSE-JTQLQIEISA-N -1 1 289.291 1.007 10 0 CDAEMM CC(C)(C)CC(=O)[N-]OCC(=O)N1CCOC[C@H]1C1CC1 ZINC000842062123 750742731 /nfs/dbraw/zinc/74/27/31/750742731.db2.gz YFHSZDUXEIAALQ-LBPRGKRZSA-N -1 1 298.383 1.108 10 0 CDAEMM CCNC(=O)N1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000804890469 750769619 /nfs/dbraw/zinc/76/96/19/750769619.db2.gz QGKARSRHWRMROS-CIUDSAMLSA-N -1 1 295.305 1.493 10 0 CDAEMM O=C([O-])[C@H](CC1CC1)NC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000797724377 750840846 /nfs/dbraw/zinc/84/08/46/750840846.db2.gz KZDFASBSFHXAER-MNOVXSKESA-N -1 1 292.339 1.340 10 0 CDAEMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCn3ccnc32)sn1 ZINC000867317294 750876284 /nfs/dbraw/zinc/87/62/84/750876284.db2.gz LQMJOHXDXIMPCK-MRVPVSSYSA-N -1 1 284.366 1.071 10 0 CDAEMM CC(C)(C)n1nnc(C(=O)Nc2nc(Cl)ccc2[O-])n1 ZINC000834297574 750960629 /nfs/dbraw/zinc/96/06/29/750960629.db2.gz AOBIEPVCWTXYOI-UHFFFAOYSA-N -1 1 296.718 1.434 10 0 CDAEMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)F)nc1Cl ZINC000867575763 751017174 /nfs/dbraw/zinc/01/71/74/751017174.db2.gz BYCKFCQVZVPKRZ-UHFFFAOYSA-N -1 1 269.729 1.100 10 0 CDAEMM CC[C@@H]1C[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000837976797 751086936 /nfs/dbraw/zinc/08/69/36/751086936.db2.gz 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/nfs/dbraw/zinc/26/09/45/1167260945.db2.gz BGEKPZCTCMKMKC-UHFFFAOYSA-N -1 1 262.240 1.671 10 0 CDAEMM Cc1nc2c(cccc2C(=O)NC2(c3nn[n-]n3)CCC2)[nH]1 ZINC001643872064 1167276420 /nfs/dbraw/zinc/27/64/20/1167276420.db2.gz UFDRJRGHBZMBFQ-UHFFFAOYSA-N -1 1 297.322 1.194 10 0 CDAEMM CCc1nc(C(=O)[N-]c2csnc2OC)co1 ZINC001643891818 1167279188 /nfs/dbraw/zinc/27/91/88/1167279188.db2.gz MJVGUATYJAAFCW-UHFFFAOYSA-N -1 1 253.283 1.954 10 0 CDAEMM Cc1cc(CN)oc1C(=O)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001646056763 1167627046 /nfs/dbraw/zinc/62/70/46/1167627046.db2.gz USJFVAIVCXZKMX-LDYMZIIASA-N -1 1 280.324 1.230 10 0 CDAEMM CN(C(=O)C/C=C/Cc1ccccc1)c1nn[n-]n1 ZINC001647844302 1169066035 /nfs/dbraw/zinc/06/60/35/1169066035.db2.gz HZAQDIRQMRAOBY-AATRIKPKSA-N -1 1 257.297 1.352 10 0 CDAEMM Cn1cc(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)nn1 ZINC001649872252 1169454409 /nfs/dbraw/zinc/45/44/09/1169454409.db2.gz SWTKLZSMXMHSRP-AGIUHOORSA-N -1 1 278.356 1.280 10 0 CDAEMM CO[C@](C)([C@@H](C)NC(=O)c1ccc([O-])cn1)C1CC1 ZINC001570331518 1170133179 /nfs/dbraw/zinc/13/31/79/1170133179.db2.gz URLHHDVNXKODAV-YMTOWFKASA-N -1 1 264.325 1.721 10 0 CDAEMM Cn1c(CNC(=O)Cc2ccccc2)n[n-]c1=S ZINC000066626048 1171397181 /nfs/dbraw/zinc/39/71/81/1171397181.db2.gz KLJLYUDZHGKVIP-UHFFFAOYSA-N -1 1 262.338 1.337 10 0 CDAEMM CCCC(=O)NCCCN(CC)C(=O)c1ncccc1[O-] ZINC001577445813 1171673996 /nfs/dbraw/zinc/67/39/96/1171673996.db2.gz JDYQWTIHUPGCDI-UHFFFAOYSA-N -1 1 293.367 1.556 10 0 CDAEMM Cc1nc2ccc(O)cc2cc1C(=O)N(C)c1nn[n-]n1 ZINC001585911126 1172922373 /nfs/dbraw/zinc/92/23/73/1172922373.db2.gz UVFSQSAJHIGHCA-UHFFFAOYSA-N -1 1 284.279 1.039 10 0 CDAEMM CC(=Cc1cccc(Cl)c1)C(=O)N(C)c1nn[n-]n1 ZINC001586262346 1172938557 /nfs/dbraw/zinc/93/85/57/1172938557.db2.gz NOBZXTHANUWUCT-VURMDHGXSA-N -1 1 277.715 1.919 10 0 CDAEMM CC[C@](C)(CCO)NC(=O)c1ccc(F)c([O-])c1 ZINC001598421860 1174315749 /nfs/dbraw/zinc/31/57/49/1174315749.db2.gz YHWUBTNLEHZFBI-CYBMUJFWSA-N -1 1 255.289 1.812 10 0 CDAEMM CCOc1n[nH]c(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000228784835 1178116507 /nfs/dbraw/zinc/11/65/07/1178116507.db2.gz ZKDQPSQRXGTPEQ-UHFFFAOYSA-N -1 1 266.232 1.300 10 0 CDAEMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)OCc1nn[n-]n1 ZINC001772366966 1187200216 /nfs/dbraw/zinc/20/02/16/1187200216.db2.gz VWYGBOQUKCSRHB-RQJHMYQMSA-N -1 1 294.233 1.133 10 0 CDAEMM CCOc1ccccc1NC(=O)c1cnncc1[O-] ZINC001629214467 1166122969 /nfs/dbraw/zinc/12/29/69/1166122969.db2.gz MUYAEJJKTDEISZ-UHFFFAOYSA-N -1 1 259.265 1.833 10 0 CDAEMM O=C(c1ccc([O-])cn1)N1CC[C@]2(C1)CCCOC2 ZINC001629308811 1166126893 /nfs/dbraw/zinc/12/68/93/1166126893.db2.gz LKRSGZPUPWBRTF-AWEZNQCLSA-N -1 1 262.309 1.430 10 0 CDAEMM COC(=O)CC(C)(C)N(C)C(=O)c1ccc([O-])cn1 ZINC001632459762 1166349696 /nfs/dbraw/zinc/34/96/96/1166349696.db2.gz SXMREKVCFOYUES-UHFFFAOYSA-N -1 1 266.297 1.201 10 0 CDAEMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2cnccn2)c1 ZINC001634103402 1166469730 /nfs/dbraw/zinc/46/97/30/1166469730.db2.gz OPTASZDWQALWNH-UHFFFAOYSA-N -1 1 285.303 1.575 10 0 CDAEMM CCN1C[C@H](COC(=O)c2ccc([O-])cc2F)OC1=O ZINC000848739008 843153356 /nfs/dbraw/zinc/15/33/56/843153356.db2.gz MNTZWDKBFKLBQX-SECBINFHSA-N -1 1 283.255 1.529 10 0 CDAEMM Cc1cc(C(=O)N2CCC[C@@H]2c2nn[n-]n2)sc1C ZINC000720651311 843400863 /nfs/dbraw/zinc/40/08/63/843400863.db2.gz XYFFPWDWCBVRRU-SECBINFHSA-N -1 1 277.353 1.855 10 0 CDAEMM Cc1cc(C)c2cc(NC(=O)CCc3nn[n-]n3)ccc2n1 ZINC000925092414 843421960 /nfs/dbraw/zinc/42/19/60/843421960.db2.gz GUDXYHUBSAKOQM-UHFFFAOYSA-N -1 1 296.334 1.936 10 0 CDAEMM O=C(OCCC[N-]C(=O)C(F)(F)F)[C@@H]1CC12CC2 ZINC000817230238 843697837 /nfs/dbraw/zinc/69/78/37/843697837.db2.gz HCYXBGRZEKMZKM-ZETCQYMHSA-N -1 1 265.231 1.398 10 0 CDAEMM C[C@@H](C(=O)N1CCC[C@H]1c1nn[n-]n1)C(C)(F)F ZINC000720626196 843853646 /nfs/dbraw/zinc/85/36/46/843853646.db2.gz CHNRAHCBXJSGAO-BQBZGAKWSA-N -1 1 259.260 1.155 10 0 CDAEMM CCCCC[C@@H](O)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000826046816 843872153 /nfs/dbraw/zinc/87/21/53/843872153.db2.gz COMGZJITCNYETL-SNVBAGLBSA-N -1 1 281.360 1.026 10 0 CDAEMM O=C(N[C@@H]1CCCN2CCSC[C@H]12)c1ccccc1O ZINC000720395614 844649391 /nfs/dbraw/zinc/64/93/91/844649391.db2.gz JVDCGZQOGANXHW-CHWSQXEVSA-N -1 1 292.404 1.702 10 0 CDAEMM CC(C)Oc1ccc(NC([O-])=NO[C@H]2CCCCO2)nn1 ZINC000794307579 844655113 /nfs/dbraw/zinc/65/51/13/844655113.db2.gz AGBJXDVRCCUCLE-LBPRGKRZSA-N -1 1 296.327 1.844 10 0 CDAEMM CC(C)Oc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)nn1 ZINC000794307579 844655120 /nfs/dbraw/zinc/65/51/20/844655120.db2.gz AGBJXDVRCCUCLE-LBPRGKRZSA-N -1 1 296.327 1.844 10 0 CDAEMM C[C@@H](NC(=O)NCc1ccc(F)c(CN(C)C)c1)C(=O)[O-] ZINC000780577651 844905347 /nfs/dbraw/zinc/90/53/47/844905347.db2.gz QRMONHZVONCKKI-SECBINFHSA-N -1 1 297.330 1.160 10 0 CDAEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)nc2F)[C@@H](C)O1 ZINC000867608899 845002364 /nfs/dbraw/zinc/00/23/64/845002364.db2.gz GGGSPNVMTDCQCR-BWZBUEFSSA-N -1 1 292.307 1.204 10 0 CDAEMM O=C(CCCc1cccs1)N1CCC[C@H]1c1nn[n-]n1 ZINC000720630426 845101815 /nfs/dbraw/zinc/10/18/15/845101815.db2.gz 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845750069 /nfs/dbraw/zinc/75/00/69/845750069.db2.gz UNCBHWWXQHZIPR-GMTAPVOTSA-N -1 1 277.372 1.588 10 0 CDAEMM CC(C)(NC(=O)CCc1nn[n-]n1)c1ccc(F)cc1F ZINC000924580119 846066205 /nfs/dbraw/zinc/06/62/05/846066205.db2.gz HKHPFHRBFOSBCD-UHFFFAOYSA-N -1 1 295.293 1.462 10 0 CDAEMM Cn1[n-]c(COC(=O)C2(C)CCC(F)(F)CC2)nc1=O ZINC000860191134 846133929 /nfs/dbraw/zinc/13/39/29/846133929.db2.gz CESFDRSQKCLBLA-UHFFFAOYSA-N -1 1 289.282 1.367 10 0 CDAEMM CC[C@@H](CNC(=O)[C@@H](N)c1ccc(C)cc1)C(=O)[O-] ZINC000230801068 846181831 /nfs/dbraw/zinc/18/18/31/846181831.db2.gz YQDVHDUODHAFIN-JQWIXIFHSA-N -1 1 264.325 1.222 10 0 CDAEMM O=C(c1sccc1F)N1CCC[C@@H]1c1nn[n-]n1 ZINC000720627807 846234621 /nfs/dbraw/zinc/23/46/21/846234621.db2.gz MBMDVWMUEAXYJL-SSDOTTSWSA-N -1 1 267.289 1.378 10 0 CDAEMM COCCO[N-]C(=O)C1(CC(=O)OC(C)(C)C)CCC1 ZINC000843815619 846370752 /nfs/dbraw/zinc/37/07/52/846370752.db2.gz WFOIXOAGPAFDCQ-UHFFFAOYSA-N -1 1 287.356 1.583 10 0 CDAEMM Cc1nonc1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000076279011 846499726 /nfs/dbraw/zinc/49/97/26/846499726.db2.gz YQNVHPGJTJXLLT-UHFFFAOYSA-N -1 1 288.292 1.544 10 0 CDAEMM C[C@@H]1C(=O)N(CCc2c(F)cc([O-])cc2F)C(=O)N1C ZINC000925459840 846548035 /nfs/dbraw/zinc/54/80/35/846548035.db2.gz DXQNQNUEPMXUEJ-SSDOTTSWSA-N -1 1 284.262 1.495 10 0 CDAEMM CC[C@@H](CC(C)C)C(=O)N1CCC[C@H]1c1nn[n-]n1 ZINC000720658140 846781809 /nfs/dbraw/zinc/78/18/09/846781809.db2.gz ZASLVXPJJGMRAQ-QWRGUYRKSA-N -1 1 265.361 1.936 10 0 CDAEMM CCCS(=O)(=O)[N-]c1cn(C)nc1Br ZINC000849335934 846832646 /nfs/dbraw/zinc/83/26/46/846832646.db2.gz DGFHAKJPGGTAPZ-UHFFFAOYSA-N -1 1 282.163 1.334 10 0 CDAEMM Cn1nccc1[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000928368826 846937805 /nfs/dbraw/zinc/93/78/05/846937805.db2.gz HXIYOEKLXWGSFT-ZDUSSCGKSA-N -1 1 272.308 1.498 10 0 CDAEMM CC(F)(F)C(C)(C)C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000720610348 847056498 /nfs/dbraw/zinc/05/64/98/847056498.db2.gz ITBGQLKIULLBHU-UHFFFAOYSA-N -1 1 287.314 1.587 10 0 CDAEMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1ccns1 ZINC000717794198 847192488 /nfs/dbraw/zinc/19/24/88/847192488.db2.gz UHXDDCGBBIWKJR-QMMMGPOBSA-N -1 1 278.399 1.219 10 0 CDAEMM CC(=Cc1ccccn1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000847725612 847272936 /nfs/dbraw/zinc/27/29/36/847272936.db2.gz OJYJZHIQHYYXET-RJCSOLBVSA-N -1 1 286.339 1.260 10 0 CDAEMM C[C@H](CN(C)Cc1cn(C)nn1)C(=O)c1ccc([O-])cc1 ZINC000931016387 847375832 /nfs/dbraw/zinc/37/58/32/847375832.db2.gz RYVHOOPUOYELCX-LLVKDONJSA-N -1 1 288.351 1.472 10 0 CDAEMM COC(=O)c1c[n-]c(SC[C@H](OC)[C@@H]2CCOC2)n1 ZINC000849890796 847613579 /nfs/dbraw/zinc/61/35/79/847613579.db2.gz AFSGJEZLZDEEQM-SCZZXKLOSA-N -1 1 286.353 1.340 10 0 CDAEMM Cn1cc(NC(=O)c2ccc(O)cc2[O-])c(C2CC2)n1 ZINC000794527175 847645898 /nfs/dbraw/zinc/64/58/98/847645898.db2.gz GFHJUEMYZMOSIF-UHFFFAOYSA-N -1 1 273.292 1.961 10 0 CDAEMM CO[C@@H]1CC[C@H]2OCCN(c3cc(Cl)[n-]c(=O)n3)[C@H]2C1 ZINC000858457694 847694688 /nfs/dbraw/zinc/69/46/88/847694688.db2.gz SMUNOCGYHYCMIP-KXUCPTDWSA-N -1 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CCC1(CC)CCCN(C(=O)CCc2nn[n-]n2)C1 ZINC000633630911 378616270 /nfs/dbraw/zinc/61/62/70/378616270.db2.gz QMWKUXGMSGKHPB-UHFFFAOYSA-N -1 1 265.361 1.561 10 0 CDAEMM CNC(=O)c1c(C)[n-][nH]c1=NC(=O)[C@]1(C)CC=C(C)CC1 ZINC000633690997 378693739 /nfs/dbraw/zinc/69/37/39/378693739.db2.gz JUTNRWCVEMLNMU-OAHLLOKOSA-N -1 1 290.367 1.575 10 0 CDAEMM CO[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@](C)(CO)C1 ZINC000634065997 379010368 /nfs/dbraw/zinc/01/03/68/379010368.db2.gz WFKNMWAUXLLICQ-IINYFYTJSA-N -1 1 299.754 1.658 10 0 CDAEMM O=C(c1cncc([O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000111739699 296290064 /nfs/dbraw/zinc/29/00/64/296290064.db2.gz CJPIRPUHDVOFPJ-STQMWFEESA-N -1 1 262.309 1.571 10 0 CDAEMM CCc1ccc(CN(C)[C@@H]2CCN(CC(=O)[O-])C2=O)cc1 ZINC000662201904 412932253 /nfs/dbraw/zinc/93/22/53/412932253.db2.gz VNLONGBAACHSBK-CQSZACIVSA-N -1 1 290.363 1.366 10 0 CDAEMM Cc1nnsc1C(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000489786037 253011096 /nfs/dbraw/zinc/01/10/96/253011096.db2.gz AZMBGGYKSCMHMG-UHFFFAOYSA-N -1 1 266.330 1.445 10 0 CDAEMM O=c1nc(C2CCN(C/C(Cl)=C/Cl)CC2)[nH][n-]1 ZINC000289398430 197328113 /nfs/dbraw/zinc/32/81/13/197328113.db2.gz KTDLEIJGXMLQQA-YVMONPNESA-N -1 1 277.155 1.596 10 0 CDAEMM O=C1NCc2ccc([O-])c(I)c21 ZINC000089211290 296386328 /nfs/dbraw/zinc/38/63/28/296386328.db2.gz QWNXIILCWSMQPX-UHFFFAOYSA-N -1 1 275.045 1.240 10 0 CDAEMM O=C(NC1(c2nn[n-]n2)CCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000530824636 390325659 /nfs/dbraw/zinc/32/56/59/390325659.db2.gz WUPKIPBGSTUQBN-URLYPYJESA-N -1 1 275.356 1.521 10 0 CDAEMM COC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000133185524 390902389 /nfs/dbraw/zinc/90/23/89/390902389.db2.gz JUJRWTXHRFTMDH-NSHDSACASA-N -1 1 281.283 1.699 10 0 CDAEMM C[C@@H]1CN(Cc2nc(=O)[n-][nH]2)C[C@@H](c2ccc(F)cc2)O1 ZINC000271653243 391298880 /nfs/dbraw/zinc/29/88/80/391298880.db2.gz VOLYQJHHMIMRLI-SKDRFNHKSA-N -1 1 292.314 1.199 10 0 CDAEMM Cc1cc(F)ccc1CN[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000417596800 391690562 /nfs/dbraw/zinc/69/05/62/391690562.db2.gz 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/nfs/dbraw/zinc/54/60/37/392546037.db2.gz LJDLUFUQFUSRMW-UHFFFAOYSA-N -1 1 278.287 1.022 10 0 CDAEMM COC(=O)CCc1nnc([N-]C(=O)c2cc(C)on2)s1 ZINC000134431752 393260838 /nfs/dbraw/zinc/26/08/38/393260838.db2.gz IWAPYKAMCFQHGZ-UHFFFAOYSA-N -1 1 296.308 1.192 10 0 CDAEMM O=C(NCCC[C@@H]1CCCC[C@H]1O)c1ncccc1[O-] ZINC000134485558 139879894 /nfs/dbraw/zinc/87/98/94/139879894.db2.gz XORKORGYXCORRL-NWDGAFQWSA-N -1 1 278.352 1.848 10 0 CDAEMM COCc1nc(C(=O)[N-]c2ncn(C(C)C)n2)co1 ZINC000650284810 397852933 /nfs/dbraw/zinc/85/29/33/397852933.db2.gz ZPLYESUTAQOZJX-UHFFFAOYSA-N -1 1 265.273 1.246 10 0 CDAEMM Cc1ccc(C)c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000095321672 147113571 /nfs/dbraw/zinc/11/35/71/147113571.db2.gz PHZHEASOJOCRNL-GFCCVEGCSA-N -1 1 285.351 1.836 10 0 CDAEMM Cc1ccc2c([O-])c(C(=O)NCCn3cccn3)cnc2n1 ZINC000107347479 147245281 /nfs/dbraw/zinc/24/52/81/147245281.db2.gz GGAWHHKKKQRYKC-UHFFFAOYSA-N -1 1 297.318 1.270 10 0 CDAEMM Cc1ccc2c(=O)c(C(=O)NCCn3cccn3)c[n-]c2n1 ZINC000107347479 147245283 /nfs/dbraw/zinc/24/52/83/147245283.db2.gz GGAWHHKKKQRYKC-UHFFFAOYSA-N -1 1 297.318 1.270 10 0 CDAEMM CCc1cc(C)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)o1 ZINC000183446478 148303036 /nfs/dbraw/zinc/30/30/36/148303036.db2.gz XQWKKOHDKXCZLQ-VIFPVBQESA-N -1 1 277.328 1.539 10 0 CDAEMM O=C(c1cc(F)c[nH]1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000335116196 150303898 /nfs/dbraw/zinc/30/38/98/150303898.db2.gz LMJSUYUXCSTLHT-UHFFFAOYSA-N -1 1 280.259 1.262 10 0 CDAEMM Cc1ccc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)o1 ZINC000335965093 151154294 /nfs/dbraw/zinc/15/42/94/151154294.db2.gz KGAKKISAUSZTTP-SKDRFNHKSA-N -1 1 284.381 1.349 10 0 CDAEMM Cc1nc(SCC(=O)Nc2ccncc2)[n-]c(=O)c1C ZINC000346732242 153288817 /nfs/dbraw/zinc/28/88/17/153288817.db2.gz YITZQOBEPQCLFC-UHFFFAOYSA-N -1 1 290.348 1.347 10 0 CDAEMM COc1ccc(OCCSCc2nc(=O)n(C)[n-]2)cc1 ZINC000354322209 156386377 /nfs/dbraw/zinc/38/63/77/156386377.db2.gz OJIPHRBUOHHXDO-UHFFFAOYSA-N -1 1 295.364 1.429 10 0 CDAEMM Cc1nc(CC2CC2)oc1C(=O)N=c1ccc(O)n[n-]1 ZINC000355877067 157273759 /nfs/dbraw/zinc/27/37/59/157273759.db2.gz FTEPHJPKDBVDNP-UHFFFAOYSA-N -1 1 274.280 1.105 10 0 CDAEMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1nc(=O)n(C)[n-]1 ZINC000362269215 159110894 /nfs/dbraw/zinc/11/08/94/159110894.db2.gz HPVPXJZDZTUYIN-SECBINFHSA-N -1 1 292.387 1.219 10 0 CDAEMM CN1CCO[C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C[C@@H]21 ZINC000284864267 196145939 /nfs/dbraw/zinc/14/59/39/196145939.db2.gz YFGBTMLNJPSSPO-JSGCOSHPSA-N -1 1 294.326 1.076 10 0 CDAEMM O=S(=O)([N-][C@H](CO)C1CCC1)c1cccc(F)c1F ZINC000657056127 413880966 /nfs/dbraw/zinc/88/09/66/413880966.db2.gz KANKTCAHTFYWRF-SNVBAGLBSA-N -1 1 291.319 1.404 10 0 CDAEMM O=C(c1ccc([O-])c(F)c1)N1CCCc2n[nH]cc2C1 ZINC000663191296 414043683 /nfs/dbraw/zinc/04/36/83/414043683.db2.gz JGLBGCKQTZGDKN-UHFFFAOYSA-N -1 1 275.283 1.843 10 0 CDAEMM O=C(c1cc(F)cc2nn[nH]c21)N1CC2(CC2(F)F)C1 ZINC000655188080 414159965 /nfs/dbraw/zinc/15/99/65/414159965.db2.gz PACUSLXLFUJVJE-UHFFFAOYSA-N -1 1 282.225 1.578 10 0 CDAEMM COc1cccc([C@H](C)N[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000662207217 414563064 /nfs/dbraw/zinc/56/30/64/414563064.db2.gz ZYERPCUGJIYMBZ-GXFFZTMASA-N -1 1 292.335 1.031 10 0 CDAEMM O=S(=O)([N-]C[C@@H]1CCCOC1)c1cnc(Cl)s1 ZINC000038110463 174122833 /nfs/dbraw/zinc/12/28/33/174122833.db2.gz FTJPRZJHJLRKGF-ZETCQYMHSA-N -1 1 296.801 1.501 10 0 CDAEMM C[C@H](NC(=O)N1CCN(CC(=O)[O-])CC1)c1ccccc1 ZINC000040522958 174311540 /nfs/dbraw/zinc/31/15/40/174311540.db2.gz VQGDPXUTECMKID-LBPRGKRZSA-N -1 1 291.351 1.159 10 0 CDAEMM C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000040550948 174327840 /nfs/dbraw/zinc/32/78/40/174327840.db2.gz ZRPDKQCMMMHHTO-USWWRNFRSA-N -1 1 294.355 1.283 10 0 CDAEMM C[C@@H]1CCC[C@@H](NC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC000040571893 174338960 /nfs/dbraw/zinc/33/89/60/174338960.db2.gz CFGGTKZZUHMHAJ-FOGDFJRCSA-N -1 1 294.355 1.283 10 0 CDAEMM C[C@H](NC(=O)c1ccc(Cl)s1)c1nn[n-]n1 ZINC000044344945 175164603 /nfs/dbraw/zinc/16/46/03/175164603.db2.gz CVVNOTHCXKTDHA-BYPYZUCNSA-N -1 1 257.706 1.406 10 0 CDAEMM C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1nn[n-]n1 ZINC000044887294 175270462 /nfs/dbraw/zinc/27/04/62/175270462.db2.gz TZCREULCCWJVKR-SNVBAGLBSA-N -1 1 282.307 1.481 10 0 CDAEMM C[C@H](NC(=O)C1(c2ccccc2)CCC1)c1nn[n-]n1 ZINC000044888409 175271386 /nfs/dbraw/zinc/27/13/86/175271386.db2.gz YIOOROMCUBPRNM-JTQLQIEISA-N -1 1 271.324 1.499 10 0 CDAEMM Cc1c2ccccc2sc1C(=O)NCc1nn[n-]n1 ZINC000044928710 175278999 /nfs/dbraw/zinc/27/89/99/175278999.db2.gz PTDOHOMPDXAWNM-UHFFFAOYSA-N -1 1 273.321 1.653 10 0 CDAEMM CCOc1cccc([N-]S(=O)(=O)c2c[nH]ccc2=O)c1 ZINC000071222669 176088033 /nfs/dbraw/zinc/08/80/33/176088033.db2.gz OMBPPAGTRRQXLG-UHFFFAOYSA-N -1 1 294.332 1.574 10 0 CDAEMM CC[C@@H]([N-]S(=O)(=O)c1c[nH]ccc1=O)C(C)C ZINC000071224719 176088951 /nfs/dbraw/zinc/08/89/51/176088951.db2.gz YVWVEGMWEJSJEE-SECBINFHSA-N -1 1 258.343 1.088 10 0 CDAEMM Cc1ccc2nc(CC[N-]C(=O)C(F)(F)F)cn2c1 ZINC000071490662 176190452 /nfs/dbraw/zinc/19/04/52/176190452.db2.gz KHADGSUYTDEREB-UHFFFAOYSA-N -1 1 271.242 1.864 10 0 CDAEMM O=C(NCCc1ccc[nH]1)c1c(F)ccc([O-])c1F ZINC000517057825 270509568 /nfs/dbraw/zinc/50/95/68/270509568.db2.gz UUGPWKCNUZNMLQ-UHFFFAOYSA-N -1 1 266.247 1.971 10 0 CDAEMM C[C@H](Cc1cnc[nH]1)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529700843 271014842 /nfs/dbraw/zinc/01/48/42/271014842.db2.gz LQISQQSIRBXHOA-MRVPVSSYSA-N -1 1 291.380 1.552 10 0 CDAEMM O=C(NCC1COC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000530118549 271112225 /nfs/dbraw/zinc/11/22/25/271112225.db2.gz NNADEMDIUJLYPO-UHFFFAOYSA-N -1 1 292.722 1.970 10 0 CDAEMM CC(C)N(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCOC1 ZINC000292998810 279267952 /nfs/dbraw/zinc/26/79/52/279267952.db2.gz YZRBFPDICGQRIQ-LBPRGKRZSA-N -1 1 277.320 1.601 10 0 CDAEMM O=C(NCC1CC(O)C1)c1ccc(Cl)cc1[O-] ZINC000091525087 279285143 /nfs/dbraw/zinc/28/51/43/279285143.db2.gz CYHVKOWPYLIFIT-UHFFFAOYSA-N -1 1 255.701 1.546 10 0 CDAEMM O=C(Nc1cccc(F)c1[O-])C1(N2CCOCC2)CCC1 ZINC000530004098 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