smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1cn([C@@H]2CCN(C(=O)c3ccco3)C2)nn1 ZINC000675017987 899869887 /nfs/dbraw/zinc/86/98/87/899869887.db2.gz KLBXDVUJXOYCCW-GFCCVEGCSA-N 0 0 290.323 1.495 50 0 CDAARN CCS(=O)(=O)N1CCC[C@@](C)(c2noc(C3CC3)n2)C1 ZINC000675025844 899881666 /nfs/dbraw/zinc/88/16/66/899881666.db2.gz KAQSTHMUMBOSRT-CYBMUJFWSA-N 0 0 299.396 1.650 50 0 CDAARN CC(C)(C)c1nnc(CN2CC[C@](F)(CO)C2)o1 ZINC000585080561 902237671 /nfs/dbraw/zinc/23/76/71/902237671.db2.gz CGCMIOCCXVIPRP-GFCCVEGCSA-N 0 0 257.309 1.273 50 0 CDAARN COc1ccc(-n2ccnc2CN2C[C@@H](O)[C@H](F)C2)cc1 ZINC000952873123 910429746 /nfs/dbraw/zinc/42/97/46/910429746.db2.gz VKOCHCSTWHUGQS-ZIAGYGMSSA-N 0 0 291.326 1.396 50 0 CDAARN CCCN1C[C@H](Nc2ncc(F)c(OC)n2)CC1=O ZINC000822919207 925654904 /nfs/dbraw/zinc/65/49/04/925654904.db2.gz REHBOAVXIQQDKE-MRVPVSSYSA-N 0 0 268.292 1.047 50 0 CDAARN CCn1cc(CN(C)Cc2ncccc2C(=O)[O-])c(C)n1 ZINC000823592412 925706341 /nfs/dbraw/zinc/70/63/41/925706341.db2.gz JGJGTHQTCNFRQF-UHFFFAOYSA-N 0 0 288.351 1.937 50 0 CDAARN COCCC(=O)Nc1ccc(CC(=O)NC2CC2)cc1 ZINC000824371986 925818433 /nfs/dbraw/zinc/81/84/33/925818433.db2.gz UPKJULDCYKXFFO-UHFFFAOYSA-N 0 0 276.336 1.483 50 0 CDAARN CCc1ncc(CN2CCO[C@@H](CCOC)C2)cn1 ZINC000824384174 925819266 /nfs/dbraw/zinc/81/92/66/925819266.db2.gz XUVJJSBDJFKTCE-ZDUSSCGKSA-N 0 0 265.357 1.276 50 0 CDAARN CC(C)c1nccn1CCCNC(=O)c1cc(N)ccn1 ZINC000827577759 925948698 /nfs/dbraw/zinc/94/86/98/925948698.db2.gz FTCDFIVMBALPDA-UHFFFAOYSA-N 0 0 287.367 1.804 50 0 CDAARN O=C1N[C@@H](c2ccccc2)C(=O)N2Cc3ccccc3C[C@H]12 ZINC000828321134 926106969 /nfs/dbraw/zinc/10/69/69/926106969.db2.gz RSRMYQKBARGSQV-CVEARBPZSA-N 0 0 292.338 1.811 50 0 CDAARN Cc1cnc(CCNS(=O)(=O)C(C)C)n1C1CC1 ZINC000581815478 927205360 /nfs/dbraw/zinc/20/53/60/927205360.db2.gz KLGLXJAODTWUDI-UHFFFAOYSA-N 0 0 271.386 1.397 50 0 CDAARN CC1(c2nccc(NC(=O)COC[C@@H]3CCCO3)n2)CC1 ZINC000585079588 930852480 /nfs/dbraw/zinc/85/24/80/930852480.db2.gz OXNXFAHYZQFELD-NSHDSACASA-N 0 0 291.351 1.084 50 0 CDAARN Cc1c[nH]cc1C(=O)NCCC(=O)Nc1ncccc1C ZINC000585087979 930903468 /nfs/dbraw/zinc/90/34/68/930903468.db2.gz FGVIZJYFQFKTKZ-UHFFFAOYSA-N 0 0 286.335 1.785 50 0 CDAARN C[C@@H](CC(=O)N[C@H]1CCNC1=O)Cc1cccc(F)c1 ZINC000585113013 930948331 /nfs/dbraw/zinc/94/83/31/930948331.db2.gz VMHRHCZKVBUGDR-MFKMUULPSA-N 0 0 278.327 1.399 50 0 CDAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ncc[nH]2)c(C)c1 ZINC000585115302 930958362 /nfs/dbraw/zinc/95/83/62/930958362.db2.gz VJCLBPAWDIWRGT-SNVBAGLBSA-N 0 0 295.364 1.766 50 0 CDAARN C[C@](O)(CNC(=O)c1nnc(-c2ccco2)o1)C1CC1 ZINC000585121544 930986347 /nfs/dbraw/zinc/98/63/47/930986347.db2.gz RWDUTVRTCJDNQO-ZDUSSCGKSA-N 0 0 277.280 1.220 50 0 CDAARN Cc1cc(C(=O)N2CC(Oc3nccs3)C2)ns1 ZINC000585130373 931018520 /nfs/dbraw/zinc/01/85/20/931018520.db2.gz OMHHRJPHMOZMIJ-UHFFFAOYSA-N 0 0 281.362 1.811 50 0 CDAARN Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)N(C)C)cc1C ZINC000585131223 931023966 /nfs/dbraw/zinc/02/39/66/931023966.db2.gz PDHUWIZRRKGZSL-UHFFFAOYSA-N 0 0 286.335 1.981 50 0 CDAARN COC(=O)C1(CNC(=O)c2ccc3[nH]cnc3c2F)CC1 ZINC000585131622 931024424 /nfs/dbraw/zinc/02/44/24/931024424.db2.gz BAGHMTQTJBSCBC-UHFFFAOYSA-N 0 0 291.282 1.385 50 0 CDAARN C[C@@H](C(=O)Nc1cnn(C)c1)n1nc(C2CC2)ccc1=O ZINC000585411777 932833302 /nfs/dbraw/zinc/83/33/02/932833302.db2.gz NSTDKZNHVHHEPY-VIFPVBQESA-N 0 0 287.323 1.054 50 0 CDAARN Cc1noc(C)c1CC(=O)N[C@@H]1CCC12CCOCC2 ZINC000585408329 932833811 /nfs/dbraw/zinc/83/38/11/932833811.db2.gz KWTJZDBVCYEBLF-CYBMUJFWSA-N 0 0 278.352 1.909 50 0 CDAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1c[nH]c(=O)[nH]1 ZINC000585312158 932835461 /nfs/dbraw/zinc/83/54/61/932835461.db2.gz JDOSKXNRNIURLT-JTQLQIEISA-N 0 0 291.311 1.133 50 0 CDAARN CN(C)c1nccnc1NCCCNc1cccnc1 ZINC001529114221 968984283 /nfs/dbraw/zinc/98/42/83/968984283.db2.gz MUOIWWXXINIRGH-UHFFFAOYSA-N 0 0 272.356 1.852 50 0 CDAARN COc1cccc([C@@H](C)[N@H+](C)CCn2cnnc2)c1 ZINC001529189140 969009951 /nfs/dbraw/zinc/00/99/51/969009951.db2.gz IGKWRYPIIGXHRA-GFCCVEGCSA-N 0 0 260.341 1.980 50 0 CDAARN O=C(CC1CC1)N1CCO[C@H](CO)[C@H]1c1ccccc1 ZINC001529191838 969010541 /nfs/dbraw/zinc/01/05/41/969010541.db2.gz FVYLXSNICUOYSJ-GDBMZVCRSA-N 0 0 275.348 1.748 50 0 CDAARN CC(=O)NC(C)(C)C[C@H](C)N(C)Cc1nc(C)c[nH]1 ZINC001506396539 975148291 /nfs/dbraw/zinc/14/82/91/975148291.db2.gz KLBYPGBLQIBWEB-NSHDSACASA-N 0 0 266.389 1.843 50 0 CDAARN COCCc1nc(CNC2CSCCSC2)no1 ZINC001506404059 975150355 /nfs/dbraw/zinc/15/03/55/975150355.db2.gz FOMMEGANUDZSIO-UHFFFAOYSA-N 0 0 289.426 1.197 50 0 CDAARN CCN(CCn1cccn1)C(=O)c1cnc(C(C)C)nc1 ZINC001506417460 975155479 /nfs/dbraw/zinc/15/54/79/975155479.db2.gz JKXPCSWZZDIRGV-UHFFFAOYSA-N 0 0 287.367 1.959 50 0 CDAARN CN(Cc1ccc2nsnc2c1)C(=O)c1cccc(N)n1 ZINC001506419375 975156916 /nfs/dbraw/zinc/15/69/16/975156916.db2.gz ZRNGPJUQGFALCG-UHFFFAOYSA-N 0 0 299.359 1.941 50 0 CDAARN C[C@@H](c1cccnc1)N(C)CC(=O)Nc1ccn(C)n1 ZINC001506420088 975158054 /nfs/dbraw/zinc/15/80/54/975158054.db2.gz TWCIJVPCMNFWNS-NSHDSACASA-N 0 0 273.340 1.447 50 0 CDAARN C[C@H](c1cccnc1)N(C)CC(=O)Nc1ccn(C)n1 ZINC001506420087 975158547 /nfs/dbraw/zinc/15/85/47/975158547.db2.gz TWCIJVPCMNFWNS-LLVKDONJSA-N 0 0 273.340 1.447 50 0 CDAARN c1cnc(N2CC[NH+](C3CSCCSC3)CC2)cn1 ZINC001506421973 975158565 /nfs/dbraw/zinc/15/85/65/975158565.db2.gz MIURMXDPVZIKNT-UHFFFAOYSA-N 0 0 296.465 1.447 50 0 CDAARN CNC(=O)[C@H]1CCN(c2nc(C)nc3ccccc32)C1 ZINC001506431709 975163134 /nfs/dbraw/zinc/16/31/34/975163134.db2.gz WGQYZZJFJKABNX-NSHDSACASA-N 0 0 270.336 1.511 50 0 CDAARN COC[C@@H](C)NC(=O)CSc1nncn1C(C)C ZINC000011720195 230370825 /nfs/dbraw/zinc/37/08/25/230370825.db2.gz HDBAALLZZRDSPI-SECBINFHSA-N 0 0 272.374 1.102 50 0 CDAARN Cc1ccc(C)c([C@@H]2CN(CC(N)=O)[C@H](C)CO2)c1 ZINC000098015853 230391130 /nfs/dbraw/zinc/39/11/30/230391130.db2.gz HUZMKKINXGVTQB-OCCSQVGLSA-N 0 0 262.353 1.551 50 0 CDAARN 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ZINC000003284909 230367737 /nfs/dbraw/zinc/36/77/37/230367737.db2.gz MVQDUVNZEGDDJM-UHFFFAOYSA-N 0 0 281.337 1.448 50 0 CDAARN O=C(NC[C@H](O)COCc1ccccc1)c1ccccc1 ZINC000004071766 230368549 /nfs/dbraw/zinc/36/85/49/230368549.db2.gz ANXABNCFLPAOBP-INIZCTEOSA-N 0 0 285.343 1.994 50 0 CDAARN CC1=NO[C@](C)(C(=O)N2CCN(C(=O)CC(C)C)CC2)C1 ZINC000584903150 341986597 /nfs/dbraw/zinc/98/65/97/341986597.db2.gz XFGAAVYRRDURDZ-HNNXBMFYSA-N 0 0 295.383 1.258 50 0 CDAARN CN(CC1(CO)CCC1)C(=O)COC[C@@H]1CCCCO1 ZINC000584902283 341986782 /nfs/dbraw/zinc/98/67/82/341986782.db2.gz FTBCGTQPEMTRGC-ZDUSSCGKSA-N 0 0 285.384 1.193 50 0 CDAARN Cc1nc([C@H](C)NC(=O)c2noc(C)c2CO)cs1 ZINC000584902279 341986842 /nfs/dbraw/zinc/98/68/42/341986842.db2.gz AMWKXXOCKZXCPD-LURJTMIESA-N 0 0 281.337 1.731 50 0 CDAARN Nc1nc(C(=O)N[C@@H]2COC3(C2)CCCCC3)cs1 ZINC000426361940 230415825 /nfs/dbraw/zinc/41/58/25/230415825.db2.gz LNTFGVKAYMZWNM-VIFPVBQESA-N 0 0 281.381 1.777 50 0 CDAARN CN(C)c1ccc(C(=O)N2CCC(F)(F)CC2)nn1 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CC(C)N1CCO[C@H](Cc2nc(-c3cccnn3)no2)C1 ZINC000095526785 185003767 /nfs/dbraw/zinc/00/37/67/185003767.db2.gz IBHIHWYBZGDSLX-LLVKDONJSA-N 0 0 289.339 1.178 50 0 CDAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc(N)nc2)n1 ZINC000222748898 230398659 /nfs/dbraw/zinc/39/86/59/230398659.db2.gz SVPGBSOUKBBTKQ-JTQLQIEISA-N 0 0 273.340 1.296 50 0 CDAARN COCC(=O)N1CCN(c2ccccc2OC(C)C)CC1 ZINC000408516712 230403292 /nfs/dbraw/zinc/40/32/92/230403292.db2.gz QXJNNZYVIBEPLQ-UHFFFAOYSA-N 0 0 292.379 1.769 50 0 CDAARN CS[C@H](C)CCNC(=O)N[C@](C)(CO)C1CC1 ZINC000095966584 295658933 /nfs/dbraw/zinc/65/89/33/295658933.db2.gz GSCDROBXGJVRPJ-BXKDBHETSA-N 0 0 260.403 1.588 50 0 CDAARN COCCn1cnnc1[C@H](C)NC(=O)c1cc[nH]c1C ZINC000584903803 341993958 /nfs/dbraw/zinc/99/39/58/341993958.db2.gz NFPXQNFUOLIRBU-JTQLQIEISA-N 0 0 277.328 1.052 50 0 CDAARN COC(=O)Cc1cc(=O)[nH]c2c(F)ccc(F)c12 ZINC000675081537 539085978 /nfs/dbraw/zinc/08/59/78/539085978.db2.gz HFZNGUYQECNGHN-UHFFFAOYSA-N 0 0 253.204 1.934 50 0 CDAARN 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Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c1 ZINC000002495741 355971783 /nfs/dbraw/zinc/97/17/83/355971783.db2.gz YYPWKYICGKUQJX-INIZCTEOSA-N 0 0 282.299 1.682 50 0 CDAARN COC(=O)c1cc2cc3n[nH]nc3cc2cc1C(=O)OC ZINC000002519675 355972610 /nfs/dbraw/zinc/97/26/10/355972610.db2.gz UMXSNAZVTHHRFP-UHFFFAOYSA-N 0 0 285.259 1.684 50 0 CDAARN Cc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1 ZINC000004487327 356032773 /nfs/dbraw/zinc/03/27/73/356032773.db2.gz GBMYXLSDAUEUHT-UHFFFAOYSA-N 0 0 297.358 1.940 50 0 CDAARN [NH3+][C@H](C(=O)[O-])c1ccccc1I ZINC000003676892 356008613 /nfs/dbraw/zinc/00/86/13/356008613.db2.gz QIGZRXHDPOCVBZ-ZETCQYMHSA-N 0 0 277.061 1.376 50 0 CDAARN O=C(NCCCn1ccnc1)Nc1ccc2c(c1)OCO2 ZINC000004024389 356015647 /nfs/dbraw/zinc/01/56/47/356015647.db2.gz SRFXYLVCSZOYRZ-UHFFFAOYSA-N 0 0 288.307 1.824 50 0 CDAARN Nc1nc2cc(S(=O)(=O)N3CCCC3)ccc2o1 ZINC000004206187 356021999 /nfs/dbraw/zinc/02/19/99/356021999.db2.gz ONZSHSBRNGDIGQ-UHFFFAOYSA-N 0 0 267.310 1.195 50 0 CDAARN Nc1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000004352781 356028543 /nfs/dbraw/zinc/02/85/43/356028543.db2.gz BUBJRDZLVJJKLT-UHFFFAOYSA-N 0 0 262.334 1.747 50 0 CDAARN Cc1cc(C2N=NC(=S)N2C[C@@H]2CCCO2)nn1C ZINC000002790165 356106274 /nfs/dbraw/zinc/10/62/74/356106274.db2.gz QRBBBHNETNSNDE-VIFPVBQESA-N 0 0 279.369 1.455 50 0 CDAARN Cn1nccc1CNC(=S)NCCc1ccccc1 ZINC000002793873 356108332 /nfs/dbraw/zinc/10/83/32/356108332.db2.gz QXMDSXIUGOHKLB-UHFFFAOYSA-N 0 0 274.393 1.627 50 0 CDAARN C[C@@H](C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000003010569 356122071 /nfs/dbraw/zinc/12/20/71/356122071.db2.gz LEKWUAIEPXINPK-NSHDSACASA-N 0 0 286.331 1.684 50 0 CDAARN CCc1nsc(N[C@H](CO)Cc2ccc(O)cc2)n1 ZINC000097373485 356094711 /nfs/dbraw/zinc/09/47/11/356094711.db2.gz SVDFVVNFPPFGBK-JTQLQIEISA-N 0 0 279.365 1.822 50 0 CDAARN O=C1Nc2ccccc2[C@@]12Nc1ccccc1C(=O)N2 ZINC000008739328 356154316 /nfs/dbraw/zinc/15/43/16/356154316.db2.gz BMSQIJFIMYFICP-HNNXBMFYSA-N 0 0 265.272 1.647 50 0 biogenic CDAARN COCCNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000003059907 356130072 /nfs/dbraw/zinc/13/00/72/356130072.db2.gz RVCYAQHPPMKSMI-UHFFFAOYSA-N 0 0 256.689 1.041 50 0 CDAARN CCN1C[C@H](C(=O)N2CCCC3(CCOCC3)C2)CC1=O ZINC000336525236 356202127 /nfs/dbraw/zinc/20/21/27/356202127.db2.gz UVKRCLDYGTXAIW-CYBMUJFWSA-N 0 0 294.395 1.274 50 0 CDAARN CCN(CC)c1ncccc1CNC(=O)Cn1cccn1 ZINC000011878410 356281906 /nfs/dbraw/zinc/28/19/06/356281906.db2.gz GAHNPUMLNBBNJG-UHFFFAOYSA-N 0 0 287.367 1.441 50 0 CDAARN CCCCc1nnc2sc(-c3cnccn3)nn12 ZINC000011278410 356270199 /nfs/dbraw/zinc/27/01/99/356270199.db2.gz SPPPNZCPNPBZIW-UHFFFAOYSA-N 0 0 260.326 1.985 50 0 CDAARN CCS(=O)(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 ZINC000011812948 356279786 /nfs/dbraw/zinc/27/97/86/356279786.db2.gz BYIBCUSIVLWBPA-ZDUSSCGKSA-N 0 0 287.356 1.419 50 0 CDAARN CNC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000009875583 356246493 /nfs/dbraw/zinc/24/64/93/356246493.db2.gz RXMQXNHBFPMDRR-UHFFFAOYSA-N 0 0 253.733 1.801 50 0 CDAARN CC(C)c1nnc(NC(=O)c2ccc[nH]c2=O)s1 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/nfs/dbraw/zinc/26/89/36/171268936.db2.gz YIJUSXZPGBWSHO-UHFFFAOYSA-N 0 0 286.335 1.240 50 0 CDAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3n[nH]cc32)cc1 ZINC000020715095 171269768 /nfs/dbraw/zinc/26/97/68/171269768.db2.gz UGXACBYWCFQAMD-JTQLQIEISA-N 0 0 271.276 1.670 50 0 CDAARN CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1)C(=O)N2 ZINC000020745376 171271391 /nfs/dbraw/zinc/27/13/91/171271391.db2.gz RODCWLCXZAJSGC-SNVBAGLBSA-N 0 0 285.307 1.363 50 0 CDAARN C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020867525 171276963 /nfs/dbraw/zinc/27/69/63/171276963.db2.gz QZMMAACXJPDIAO-FSIBCCDJSA-N 0 0 291.303 1.904 50 0 CDAARN CCC(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000021174121 171298776 /nfs/dbraw/zinc/29/87/76/171298776.db2.gz NEXJARCPDSGMJK-UHFFFAOYSA-N 0 0 261.281 1.771 50 0 CDAARN CC(=O)N[C@H](CC(=O)Nc1nncs1)c1ccccc1 ZINC000021215750 171299715 /nfs/dbraw/zinc/29/97/15/171299715.db2.gz XYNJOTIVUMRSBS-LLVKDONJSA-N 0 0 290.348 1.744 50 0 CDAARN CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](O)C2)c1C ZINC000021411107 171303837 /nfs/dbraw/zinc/30/38/37/171303837.db2.gz ZXOYZCGNJZVLIC-LLVKDONJSA-N 0 0 264.325 1.431 50 0 CDAARN CC(C)(C)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000021897146 171336546 /nfs/dbraw/zinc/33/65/46/171336546.db2.gz HVRAFPPAYTXUAX-UHFFFAOYSA-N 0 0 292.335 1.559 50 0 CDAARN CC1(C)NC(=O)N(CCCC(=O)N2CCCCCC2)C1=O ZINC000021897498 171336731 /nfs/dbraw/zinc/33/67/31/171336731.db2.gz GMVKHMRGWAXQON-UHFFFAOYSA-N 0 0 295.383 1.500 50 0 CDAARN Cc1nc(S(=O)(=O)NCc2ccc(F)cc2)cn1C ZINC000021940724 171338088 /nfs/dbraw/zinc/33/80/88/171338088.db2.gz FTFJKAGGMAZCEE-UHFFFAOYSA-N 0 0 283.328 1.346 50 0 CDAARN Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1 ZINC000022116227 171353627 /nfs/dbraw/zinc/35/36/27/171353627.db2.gz MWKPYVXITDAZLL-UHFFFAOYSA-N 0 0 288.351 1.863 50 0 CDAARN CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000023111264 171412387 /nfs/dbraw/zinc/41/23/87/171412387.db2.gz PYMYPODINNTDOU-CYBMUJFWSA-N 0 0 272.348 1.664 50 0 CDAARN Cc1cnc(C(=O)NCc2ccc3c(c2)OCCO3)cn1 ZINC000023481745 171423118 /nfs/dbraw/zinc/42/31/18/171423118.db2.gz FSVBWWCDQRCIHY-UHFFFAOYSA-N 0 0 285.303 1.486 50 0 CDAARN CN(Cc1cccc(F)c1)c1ccc(S(N)(=O)=O)cn1 ZINC000023674829 171425464 /nfs/dbraw/zinc/42/54/64/171425464.db2.gz PXAJNMIZTOBSMA-UHFFFAOYSA-N 0 0 295.339 1.505 50 0 CDAARN CCCn1cnc2c3c(sc2c1=O)SCC(=O)N3 ZINC000027562721 171523012 /nfs/dbraw/zinc/52/30/12/171523012.db2.gz JRMIUEWUWMEGHO-UHFFFAOYSA-N 0 0 281.362 1.912 50 0 CDAARN COc1ccc(CNS(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000027936683 171540185 /nfs/dbraw/zinc/54/01/85/171540185.db2.gz SFULUYYRENRHKC-LBPRGKRZSA-N 0 0 298.408 1.904 50 0 CDAARN O=C(Nc1nnc2ccccn21)c1ccc2c(c1)CCO2 ZINC000030711530 171622105 /nfs/dbraw/zinc/62/21/05/171622105.db2.gz BARNECSYZYVTRC-UHFFFAOYSA-N 0 0 280.287 1.917 50 0 CDAARN COc1ccc(C)cc1C(=O)NCCC(=O)N1CCCC1 ZINC000032744686 171747406 /nfs/dbraw/zinc/74/74/06/171747406.db2.gz LYXKRFLMXQAKIF-UHFFFAOYSA-N 0 0 290.363 1.746 50 0 CDAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000032796087 171751524 /nfs/dbraw/zinc/75/15/24/171751524.db2.gz GHLAMHWJEMLWGB-TZMCWYRMSA-N 0 0 293.411 1.829 50 0 CDAARN CCCNC(=O)CCNC(=O)/C=C/c1ccco1 ZINC000032817781 171752843 /nfs/dbraw/zinc/75/28/43/171752843.db2.gz PWMRVMKYDWOMGF-AATRIKPKSA-N 0 0 250.298 1.325 50 0 CDAARN C[C@H](C(=O)NC1CC1)n1nnc(-c2cccc(Cl)c2)n1 ZINC000032887562 171757448 /nfs/dbraw/zinc/75/74/48/171757448.db2.gz WUMFVFLPYKZAKJ-MRVPVSSYSA-N 0 0 291.742 1.833 50 0 CDAARN O=C(NCCNC(=O)c1ccccc1)c1cc(Cl)c[nH]1 ZINC000032908225 171760427 /nfs/dbraw/zinc/76/04/27/171760427.db2.gz FDPLYEJQRLFNFH-UHFFFAOYSA-N 0 0 291.738 1.828 50 0 CDAARN Cc1n[nH]c(=O)c(C(=O)N(C)Cc2ccccc2)c1C ZINC000032911623 171760989 /nfs/dbraw/zinc/76/09/89/171760989.db2.gz UADSPUFGXHPYSF-UHFFFAOYSA-N 0 0 271.320 1.659 50 0 CDAARN O=C(CCc1ccco1)NCC(=O)NCc1ccccc1 ZINC000032923037 171762843 /nfs/dbraw/zinc/76/28/43/171762843.db2.gz JXTYYKRTISGINP-UHFFFAOYSA-N 0 0 286.331 1.645 50 0 CDAARN COC(=O)CCNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000032990705 171766852 /nfs/dbraw/zinc/76/68/52/171766852.db2.gz AFMCCGWKRBAVGH-UHFFFAOYSA-N 0 0 264.256 1.600 50 0 CDAARN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(F)cc(F)c1 ZINC000033210882 171774338 /nfs/dbraw/zinc/77/43/38/171774338.db2.gz FJUFZJFCSYXIFR-LBPRGKRZSA-N 0 0 282.290 1.706 50 0 CDAARN C[C@@H](CO)NC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000035204781 172048709 /nfs/dbraw/zinc/04/87/09/172048709.db2.gz TWYLFYVESUHJLU-BDAKNGLRSA-N 0 0 253.367 1.984 50 0 CDAARN CCOC(=O)CNC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000035511364 172242675 /nfs/dbraw/zinc/24/26/75/172242675.db2.gz HYPDEUMRDHPARU-NSHDSACASA-N 0 0 281.312 1.393 50 0 CDAARN CCCc1cc([C@H]2CCCN2C(=O)NCC(=O)OC)no1 ZINC000035511448 172243171 /nfs/dbraw/zinc/24/31/71/172243171.db2.gz RDJUKPQIEYTZNP-GFCCVEGCSA-N 0 0 295.339 1.647 50 0 CDAARN C[C@H]1Cc2c(NC(=O)Cc3ccccc3)nn(C)c2NC1=O ZINC000035597772 172287086 /nfs/dbraw/zinc/28/70/86/172287086.db2.gz QOBGCTXPFRULEU-JTQLQIEISA-N 0 0 298.346 1.732 50 0 CDAARN CCCC(=O)NCCNc1cc(-n2ccnc2C)ncn1 ZINC000035598081 172287349 /nfs/dbraw/zinc/28/73/49/172287349.db2.gz GHXBFIWGHWCYCY-UHFFFAOYSA-N 0 0 288.355 1.299 50 0 CDAARN C[C@@H]1Cc2c(NC(=O)Cc3ccccc3)nn(C)c2NC1=O ZINC000035597771 172287481 /nfs/dbraw/zinc/28/74/81/172287481.db2.gz QOBGCTXPFRULEU-SNVBAGLBSA-N 0 0 298.346 1.732 50 0 CDAARN Cc1cccc(O[C@@H](C)C(=O)N(CCO)C2CC2)c1 ZINC000036130488 172452133 /nfs/dbraw/zinc/45/21/33/172452133.db2.gz DLOTXLMWYDCWRT-LBPRGKRZSA-N 0 0 263.337 1.746 50 0 CDAARN COC(=O)c1ccsc1NC(=O)c1snnc1C ZINC000038828481 174156968 /nfs/dbraw/zinc/15/69/68/174156968.db2.gz LVYXXPOARSRYCP-UHFFFAOYSA-N 0 0 283.334 1.947 50 0 CDAARN CCOC(=O)/C=C/c1ccc(S(C)(=O)=O)cc1 ZINC000039122589 174163169 /nfs/dbraw/zinc/16/31/69/174163169.db2.gz YOUOTKHSWKCRQF-RMKNXTFCSA-N 0 0 254.307 1.666 50 0 CDAARN [NH3+][C@@H](Cc1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC000039712887 174171755 /nfs/dbraw/zinc/17/17/55/174171755.db2.gz IHAMHAXPNFCJJZ-QMMMGPOBSA-N 0 0 251.179 1.799 50 0 CDAARN O=C(C1CCC(Cn2cnnn2)CC1)N1CCSCC1 ZINC000040286450 174219184 /nfs/dbraw/zinc/21/91/84/174219184.db2.gz ZLLLNOWXDZSOHC-UHFFFAOYSA-N 0 0 295.412 1.055 50 0 CDAARN C[NH+](C)CCn1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000040450076 174265806 /nfs/dbraw/zinc/26/58/06/174265806.db2.gz HVGUERNNMJSANR-UHFFFAOYSA-N 0 0 259.309 1.810 50 0 CDAARN CCOC(=O)c1cnn(-c2cc(Cl)ncn2)c1C ZINC000040478744 174283305 /nfs/dbraw/zinc/28/33/05/174283305.db2.gz OQVOWIWEKMQPIK-UHFFFAOYSA-N 0 0 266.688 1.801 50 0 CDAARN O=C(Nc1ccccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000040512883 174305483 /nfs/dbraw/zinc/30/54/83/174305483.db2.gz UJQQRCATSGFRFT-GFCCVEGCSA-N 0 0 296.330 1.464 50 0 CDAARN O=C(Nc1cccnc1)C(F)(F)C(=O)Nc1cccnc1 ZINC000040546318 174325153 /nfs/dbraw/zinc/32/51/53/174325153.db2.gz CCDXQSOQADBPCQ-UHFFFAOYSA-N 0 0 292.245 1.689 50 0 CDAARN CC(=O)N1CCCN(C(=O)CCc2ccccc2F)CC1 ZINC000042001828 174628276 /nfs/dbraw/zinc/62/82/76/174628276.db2.gz DFHDDGJXQSLGAQ-UHFFFAOYSA-N 0 0 292.354 1.839 50 0 CDAARN Cc1ccc(=O)n(CC(=O)Nc2nc3ccccc3[nH]2)n1 ZINC000044394546 175171169 /nfs/dbraw/zinc/17/11/69/175171169.db2.gz BKLRYDYXCXSFAQ-UHFFFAOYSA-N 0 0 283.291 1.067 50 0 CDAARN Cc1noc(CNS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000044454525 175176801 /nfs/dbraw/zinc/17/68/01/175176801.db2.gz YATBAKDMMMVXRC-UHFFFAOYSA-N 0 0 287.728 1.510 50 0 CDAARN O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccnc1 ZINC000047444992 175408091 /nfs/dbraw/zinc/40/80/91/175408091.db2.gz RZFYZKVASYXIPX-UHFFFAOYSA-N 0 0 280.291 1.239 50 0 CDAARN Cn1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1=O ZINC000049035270 175460216 /nfs/dbraw/zinc/46/02/16/175460216.db2.gz FVBISFQQUMRUSS-KGLIPLIRSA-N 0 0 268.316 1.671 50 0 CDAARN Cc1ccnc(C[C@@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c1 ZINC000055041932 175567980 /nfs/dbraw/zinc/56/79/80/175567980.db2.gz JHSNGWDMZSTPKM-LLVKDONJSA-N 0 0 286.335 1.177 50 0 CDAARN CC[C@H](C)NC(=O)c1snc(C(=O)NCC(C)C)c1N ZINC000067334998 175773287 /nfs/dbraw/zinc/77/32/87/175773287.db2.gz BFYOXFWPGIOZPQ-QMMMGPOBSA-N 0 0 298.412 1.639 50 0 CDAARN CC1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000067604893 175778864 /nfs/dbraw/zinc/77/88/64/175778864.db2.gz YZALYBHOLHWBSA-QLFBSQMISA-N 0 0 290.407 1.963 50 0 CDAARN Cc1ccccc1-c1noc(CN(C)S(C)(=O)=O)n1 ZINC000067614028 175779380 /nfs/dbraw/zinc/77/93/80/175779380.db2.gz HZUPJQWRIHUFDC-UHFFFAOYSA-N 0 0 281.337 1.436 50 0 CDAARN CC(C)Cc1ncc2c(n1)CN(C(=O)[C@@H](C)n1cccn1)C2 ZINC000067946376 175803076 /nfs/dbraw/zinc/80/30/76/175803076.db2.gz JNZOWMXPSNQZAV-GFCCVEGCSA-N 0 0 299.378 1.975 50 0 CDAARN Cc1nnnn1-c1cccc(C(=O)NCc2ccco2)c1 ZINC000071282019 176108871 /nfs/dbraw/zinc/10/88/71/176108871.db2.gz AZRVVPXNDRHBPV-UHFFFAOYSA-N 0 0 283.291 1.494 50 0 CDAARN O=C(Nc1nccs1)[C@H](c1ccccc1)n1cnnn1 ZINC000071335138 176127021 /nfs/dbraw/zinc/12/70/21/176127021.db2.gz OEMIDHIDIBNSIX-JTQLQIEISA-N 0 0 286.320 1.358 50 0 CDAARN CC(C)[C@@H]1CN(c2cnccn2)CCC(=O)N1CC1CC1 ZINC000071749994 176259599 /nfs/dbraw/zinc/25/95/99/176259599.db2.gz PQDRHVSXQOZOFJ-AWEZNQCLSA-N 0 0 288.395 1.950 50 0 CDAARN Cc1nc2ncccn2c1C(=O)N1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000071752398 176259982 /nfs/dbraw/zinc/25/99/82/176259982.db2.gz BIANQBLKKUJLLK-FNFFVJSTSA-N 0 0 298.346 1.287 50 0 CDAARN O=C(Cc1ccc(F)cc1)N1CCC2(CC1)OCCO2 ZINC000071855939 176277999 /nfs/dbraw/zinc/27/79/99/176277999.db2.gz SEAZTLBQAHOHKT-UHFFFAOYSA-N 0 0 279.311 1.734 50 0 CDAARN O=C(c1cncc(F)c1)N1CCC[C@]2(CNC(=O)O2)CC1 ZINC000072145713 176325061 /nfs/dbraw/zinc/32/50/61/176325061.db2.gz CNJJYCOOASFMAM-CQSZACIVSA-N 0 0 293.298 1.325 50 0 CDAARN O=C([C@@H](O)Cc1ccccc1)N1CCCn2cncc2C1 ZINC000072167524 176331433 /nfs/dbraw/zinc/33/14/33/176331433.db2.gz HXGGTJBEWHEXNU-HNNXBMFYSA-N 0 0 285.347 1.219 50 0 CDAARN CC(C)Nc1ncc(C(=O)N2CCn3cncc3C2)cn1 ZINC000072171413 176333291 /nfs/dbraw/zinc/33/32/91/176333291.db2.gz ULGCCQRWHPEDLV-UHFFFAOYSA-N 0 0 286.339 1.149 50 0 CDAARN Cc1cc(C(=O)NCc2cccnc2)nc(N2CCCC2)n1 ZINC000072239885 176347595 /nfs/dbraw/zinc/34/75/95/176347595.db2.gz ZWDOHBYBIYVAAI-UHFFFAOYSA-N 0 0 297.362 1.710 50 0 CDAARN Cc1ccn(CC(=O)NCc2csc(C3CC3)n2)n1 ZINC000072252280 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176391254 /nfs/dbraw/zinc/39/12/54/176391254.db2.gz BINGXDNYEQIQGR-LBPRGKRZSA-N 0 0 263.341 1.542 50 0 CDAARN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000075106072 176660373 /nfs/dbraw/zinc/66/03/73/176660373.db2.gz UWDIWTDQXZUBOA-VHDGCEQUSA-N 0 0 299.374 1.335 50 0 CDAARN CC[C@@]1(O)CCN(C(=O)CCc2scnc2C)C[C@H]1O ZINC000077375026 177260128 /nfs/dbraw/zinc/26/01/28/177260128.db2.gz UYVIHFAQNFSODX-TZMCWYRMSA-N 0 0 298.408 1.118 50 0 CDAARN CC[C@H]1COCCN1C(=O)CCC(=O)N1CCCCCC1 ZINC000077521824 177277396 /nfs/dbraw/zinc/27/73/96/177277396.db2.gz QPHRWYOCAXLIPW-AWEZNQCLSA-N 0 0 296.411 1.807 50 0 CDAARN O=C(c1ccc2ncsc2c1)N1CCOC[C@@H](CO)C1 ZINC000077541935 177279787 /nfs/dbraw/zinc/27/97/87/177279787.db2.gz STMZWAQQFKZLDE-SNVBAGLBSA-N 0 0 292.360 1.377 50 0 CDAARN COC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cccc(C)c1 ZINC000045896062 423877806 /nfs/dbraw/zinc/87/78/06/423877806.db2.gz VQJAUXXVUQWQCA-LBPRGKRZSA-N 0 0 285.307 1.443 50 0 CDAARN COc1ncnc2c1CN(C(=O)NOCC(C)C)CC2 ZINC000120876790 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0 CDAARN CC[C@@H](C)NC(=O)C[C@@H]1CSc2nc(C)c(C)c(=O)n21 ZINC000014034823 358841520 /nfs/dbraw/zinc/84/15/20/358841520.db2.gz MLAMHVGXXZAGII-LDYMZIIASA-N 0 0 295.408 1.812 50 0 CDAARN CNC(=O)c1[nH]nc2c1CN(Cc1ccc(Cl)o1)CC2 ZINC000215132317 358876065 /nfs/dbraw/zinc/87/60/65/358876065.db2.gz VTFPTVUEBYWRIK-UHFFFAOYSA-N 0 0 294.742 1.574 50 0 CDAARN O=C([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)n1 ZINC000215518102 358893138 /nfs/dbraw/zinc/89/31/38/358893138.db2.gz JNJRZAMAJLCHMC-LBPRGKRZSA-N 0 0 298.346 1.949 50 0 CDAARN O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)n1 ZINC000215518149 358893432 /nfs/dbraw/zinc/89/34/32/358893432.db2.gz JNJRZAMAJLCHMC-GFCCVEGCSA-N 0 0 298.346 1.949 50 0 CDAARN COc1ccc(S(=O)(=O)NC(C)C)c(OC)c1 ZINC000013938556 366503888 /nfs/dbraw/zinc/50/38/88/366503888.db2.gz COYCFRYZUBIOAL-UHFFFAOYSA-N 0 0 259.327 1.391 50 0 CDAARN O=C(c1ccc[nH]c1=O)N1CC(Oc2ccccc2F)C1 ZINC000216222821 358932931 /nfs/dbraw/zinc/93/29/31/358932931.db2.gz UBUBPBSWODGPHA-UHFFFAOYSA-N 0 0 288.278 1.417 50 0 CDAARN C[C@@H](Cc1cnccn1)NC(=O)c1ccc2n[nH]nc2c1 ZINC000216531513 358949289 /nfs/dbraw/zinc/94/92/89/358949289.db2.gz VIXFCDRCCRWHNF-VIFPVBQESA-N 0 0 282.307 1.109 50 0 CDAARN CCc1c2ccccc2[nH]c1C(=O)N[C@@H]1CCOC[C@H]1O ZINC000219243808 359083962 /nfs/dbraw/zinc/08/39/62/359083962.db2.gz NUKVMBHDTJSONT-ZIAGYGMSSA-N 0 0 288.347 1.610 50 0 CDAARN Cc1nn(C)cc1[C@@H](C)NC(=O)C1(Cn2ccnc2)CC1 ZINC000219592848 359106941 /nfs/dbraw/zinc/10/69/41/359106941.db2.gz NCVSOXORXCNMDY-LLVKDONJSA-N 0 0 287.367 1.583 50 0 CDAARN CC(=O)n1cc([C@@H](C[NH3+])S(=O)(=O)[O-])c2ccccc21 ZINC000003159118 359058359 /nfs/dbraw/zinc/05/83/59/359058359.db2.gz HGOICRCNDTXGTK-GFCCVEGCSA-N 0 0 282.321 1.189 50 0 biogenic CDAARN O=C1c2ccccc2C(=O)N1CSc1cccc[n+]1[O-] ZINC000000163478 359192874 /nfs/dbraw/zinc/19/28/74/359192874.db2.gz RWYGVXBEFBSLDB-UHFFFAOYSA-N 0 0 286.312 1.666 50 0 CDAARN CCCCS(=O)(=O)N(C)Cc1ccnn1CC ZINC000028219243 359149818 /nfs/dbraw/zinc/14/98/18/359149818.db2.gz 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268.288 1.098 50 0 CDAARN Cc1ccc(CNC(=O)CSc2nc(N)n[nH]2)cc1F ZINC000024982768 359331240 /nfs/dbraw/zinc/33/12/40/359331240.db2.gz FSMZIPBGVCLWBZ-UHFFFAOYSA-N 0 0 295.343 1.243 50 0 CDAARN COc1ccc2[nH]c(C(=O)N[C@@H](C)c3nncn3C)cc2c1 ZINC000222277407 359331770 /nfs/dbraw/zinc/33/17/70/359331770.db2.gz JRMQYBZIFNRUCV-VIFPVBQESA-N 0 0 299.334 1.796 50 0 CDAARN COc1cccc(OC2CN(C(=O)Cc3cnccn3)C2)c1 ZINC000223455253 359426833 /nfs/dbraw/zinc/42/68/33/359426833.db2.gz NRZMCBVXEWWBFW-UHFFFAOYSA-N 0 0 299.330 1.318 50 0 CDAARN CC(C)Cc1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000026752430 359437538 /nfs/dbraw/zinc/43/75/38/359437538.db2.gz CUCUVCBEPPZBCA-UHFFFAOYSA-N 0 0 296.392 1.006 50 0 CDAARN CN1Cc2cccn2C[C@H]1CNC(=O)NCc1ccccc1 ZINC000257181502 359395863 /nfs/dbraw/zinc/39/58/63/359395863.db2.gz NGACELLVHARMRP-MRXNPFEDSA-N 0 0 298.390 1.802 50 0 CDAARN COC[C@H](O)CN(C)C(=O)[C@@H](C)c1ccccc1F ZINC000087452255 359518020 /nfs/dbraw/zinc/51/80/20/359518020.db2.gz VERBNVNVXIESKA-WDEREUQCSA-N 0 0 269.316 1.395 50 0 CDAARN CCOc1ccc(NC(=O)c2nc3ncccn3n2)cc1 ZINC000000338980 359538907 /nfs/dbraw/zinc/53/89/07/359538907.db2.gz HZSJFUUFFCEPOT-UHFFFAOYSA-N 0 0 283.291 1.775 50 0 CDAARN CC(C)(C)c1ccc(C[S@@](=O)C[C@H](O)CO)cc1 ZINC000000341140 359542549 /nfs/dbraw/zinc/54/25/49/359542549.db2.gz RNTYIGMBKPLIIN-ACJLOTCBSA-N 0 0 270.394 1.586 50 0 CDAARN Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000000342339 359547647 /nfs/dbraw/zinc/54/76/47/359547647.db2.gz AYPFQTLKOBNBFQ-UHFFFAOYSA-N 0 0 259.313 1.760 50 0 CDAARN Cc1cc(NCc2ccc(N3CCOCC3)nc2)nc(C)n1 ZINC000040051217 359548732 /nfs/dbraw/zinc/54/87/32/359548732.db2.gz JLOFFVYRMSPKBD-UHFFFAOYSA-N 0 0 299.378 1.937 50 0 CDAARN CCCNC(=O)[C@@H]1N(C(C)C)C(=O)C12CCCC2 ZINC000257190040 359531956 /nfs/dbraw/zinc/53/19/56/359531956.db2.gz OIENDCJRKSIDTM-NSHDSACASA-N 0 0 252.358 1.692 50 0 CDAARN O=C(N1CCN(CCO)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000028896391 359592329 /nfs/dbraw/zinc/59/23/29/359592329.db2.gz GKVJCGSAQQJJII-UHFFFAOYSA-N 0 0 292.423 1.339 50 0 CDAARN COCCC(=O)N1CCCCC[C@@H]1CN1CCOCC1 ZINC000257195494 359613561 /nfs/dbraw/zinc/61/35/61/359613561.db2.gz WFUCYXHBGPRVQC-CQSZACIVSA-N 0 0 284.400 1.126 50 0 CDAARN Cn1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)n1 ZINC000024480765 366535193 /nfs/dbraw/zinc/53/51/93/366535193.db2.gz AWPIYBSNIWOELD-UHFFFAOYSA-N 0 0 272.264 1.003 50 0 CDAARN CCOC(=O)c1[nH]c(=O)[nH]c1CSn1nc(C)cc1C ZINC000000380857 359653767 /nfs/dbraw/zinc/65/37/67/359653767.db2.gz YYXPFFJWQYLJOJ-UHFFFAOYSA-N 0 0 296.352 1.390 50 0 CDAARN O=C1O[C@H](Cc2ccccn2)[C@H](O)C1=C1SCCS1 ZINC000000383972 359665316 /nfs/dbraw/zinc/66/53/16/359665316.db2.gz UNTRFVCBFVJQGK-KOLCDFICSA-N 0 0 295.385 1.602 50 0 CDAARN Cc1cccc(Cl)c1N1C(=O)N[C@@H]([C@H](C)O)C1=O ZINC000408517036 359900348 /nfs/dbraw/zinc/90/03/48/359900348.db2.gz SOHHSNHIAJEQAQ-CBAPKCEASA-N 0 0 268.700 1.454 50 0 CDAARN Cc1c(NC(=O)CCc2cnn(C)c2)nc2ccccn12 ZINC000408516723 359900541 /nfs/dbraw/zinc/90/05/41/359900541.db2.gz RVNWTOAAYPXXGO-UHFFFAOYSA-N 0 0 283.335 1.948 50 0 CDAARN CC1(C)N=C(c2cccnc2)N(O)[C@]1(O)c1ccccc1 ZINC000000300178 359904118 /nfs/dbraw/zinc/90/41/18/359904118.db2.gz RKGJTVCSPDBIRY-INIZCTEOSA-N 0 0 283.331 1.566 50 0 biogenic CDAARN Cc1cc(NC(=O)C(F)F)nn1-c1ccc(F)cc1 ZINC000408514888 359904819 /nfs/dbraw/zinc/90/48/19/359904819.db2.gz IEEWEKDTDZEQBW-UHFFFAOYSA-N 0 0 269.226 1.945 50 0 CDAARN O=C(N[C@@H]([C@@H](CO)C1CC1)C1CC1)[C@H]1CCCOC1 ZINC000408519805 359912454 /nfs/dbraw/zinc/91/24/54/359912454.db2.gz GDGRGFYNPHMBLV-MELADBBJSA-N 0 0 267.369 1.326 50 0 CDAARN Cc1cccc(OCCNC(=O)Cn2sccc2=O)c1 ZINC000408518664 359910292 /nfs/dbraw/zinc/91/02/92/359910292.db2.gz SWOVFFCPGUSQJM-UHFFFAOYSA-N 0 0 292.360 1.413 50 0 CDAARN C[C@@H]1CN(c2nc3ccccn3n2)C[C@H](C2CC2)O1 ZINC000408522490 359928858 /nfs/dbraw/zinc/92/88/58/359928858.db2.gz ADOIYQBTMVMHCV-ZYHUDNBSSA-N 0 0 258.325 1.733 50 0 CDAARN CS(=O)(=O)CCN1CCC(=O)Nc2cc(F)ccc21 ZINC000089484290 359932756 /nfs/dbraw/zinc/93/27/56/359932756.db2.gz RKQOMHQMGJZXMT-UHFFFAOYSA-N 0 0 286.328 1.019 50 0 CDAARN O=C(OCC1CC1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000089492688 359939363 /nfs/dbraw/zinc/93/93/63/359939363.db2.gz VWUCJEGJAJDTNC-LBPRGKRZSA-N 0 0 274.320 1.383 50 0 CDAARN O[C@@]1(Cn2ccnn2)CCN(Cc2c(F)cccc2F)C1 ZINC000521394146 359966652 /nfs/dbraw/zinc/96/66/52/359966652.db2.gz BVSCAQWWNKZZTC-AWEZNQCLSA-N 0 0 294.305 1.193 50 0 CDAARN COc1ccc2c(c1)[C@H](C(=O)N(C)Cc1ncon1)CC2 ZINC000277880603 366675108 /nfs/dbraw/zinc/67/51/08/366675108.db2.gz GJQPRWSEWCUERN-GFCCVEGCSA-N 0 0 287.319 1.767 50 0 CDAARN CCN(C(=O)CCc1ccccc1F)[C@@H](C)CO ZINC000067896327 360204169 /nfs/dbraw/zinc/20/41/69/360204169.db2.gz OVTMDMSMMISZGI-NSHDSACASA-N 0 0 253.317 1.988 50 0 CDAARN CCOC(=O)[C@@H](C)Sc1ccc(NC(C)=O)nn1 ZINC000011738600 360263300 /nfs/dbraw/zinc/26/33/00/360263300.db2.gz QSMVWQOENJVJQA-SSDOTTSWSA-N 0 0 269.326 1.479 50 0 CDAARN O=C([C@H]1CCS(=O)(=O)C1)N1CCc2ccccc21 ZINC000013017211 360614356 /nfs/dbraw/zinc/61/43/56/360614356.db2.gz KBVFHCMARNVMPQ-NSHDSACASA-N 0 0 265.334 1.010 50 0 CDAARN C[C@H]1CC[C@@H](C(=O)N2CC(=O)Nc3ccccc32)O1 ZINC000095418348 360584877 /nfs/dbraw/zinc/58/48/77/360584877.db2.gz UNHGRSLKLGVPFJ-CABZTGNLSA-N 0 0 260.293 1.539 50 0 CDAARN Cc1nccn1[C@@H](C)C(=O)NC1(CO)CCCC1 ZINC000426517802 360680181 /nfs/dbraw/zinc/68/01/81/360680181.db2.gz GUUDXUUVZSEWNS-JTQLQIEISA-N 0 0 251.330 1.174 50 0 CDAARN C[C@@H](NC(=O)N1CCNC(=O)C1)c1cc(F)cc(F)c1 ZINC000426545129 360681870 /nfs/dbraw/zinc/68/18/70/360681870.db2.gz UOCNMAXNOPANSM-MRVPVSSYSA-N 0 0 283.278 1.167 50 0 CDAARN CCCO[C@@H]1CCCN(C(=O)NCCc2c[nH]cn2)C1 ZINC000426550454 360683040 /nfs/dbraw/zinc/68/30/40/360683040.db2.gz NROAPCBTVTZRQT-CYBMUJFWSA-N 0 0 280.372 1.553 50 0 CDAARN O=C(c1cc(C(F)F)n[nH]1)N1CC([NH+]2CCCCC2)C1 ZINC000426563461 360684705 /nfs/dbraw/zinc/68/47/05/360684705.db2.gz OHWSDXVBHKFEDV-UHFFFAOYSA-N 0 0 284.310 1.658 50 0 CDAARN O=C(NCC1CCOCC1)c1cc(C(F)F)n[nH]1 ZINC000426597487 360688053 /nfs/dbraw/zinc/68/80/53/360688053.db2.gz ZSFDGNHVNLXOTR-UHFFFAOYSA-N 0 0 259.256 1.504 50 0 CDAARN Cc1c2[nH]cnc2cc(NC(=O)N2CC[C@@H](O)C2)c1C ZINC000426606730 360688100 /nfs/dbraw/zinc/68/81/00/360688100.db2.gz JJQLXYXMQIXHMN-SNVBAGLBSA-N 0 0 274.324 1.778 50 0 CDAARN O=C(NCc1cc(=O)[nH]cn1)c1cc(Cl)c[nH]1 ZINC000426623224 360690791 /nfs/dbraw/zinc/69/07/91/360690791.db2.gz NCOWGSHQRICRRH-UHFFFAOYSA-N 0 0 252.661 1.094 50 0 CDAARN O=C(c1ccc(-c2ccc(=O)[nH]c2)cc1)N1CCOCC1 ZINC000426380655 360661052 /nfs/dbraw/zinc/66/10/52/360661052.db2.gz PTCJLZBTOCWJET-UHFFFAOYSA-N 0 0 284.315 1.927 50 0 CDAARN CCc1nnc(CNC(=O)c2cc(=O)cc(C)[nH]2)s1 ZINC000426405078 360665285 /nfs/dbraw/zinc/66/52/85/360665285.db2.gz CBRHNECQESYQBF-UHFFFAOYSA-N 0 0 278.337 1.027 50 0 CDAARN Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H](C)n1ccnc1 ZINC000426403463 360665326 /nfs/dbraw/zinc/66/53/26/360665326.db2.gz FHFBTGIYLSBETK-ZDUSSCGKSA-N 0 0 289.383 1.875 50 0 CDAARN Cc1nn(CCNC(=O)[C@H](C)n2ccnc2C)c(C)c1C ZINC000426424430 360668340 /nfs/dbraw/zinc/66/83/40/360668340.db2.gz YNMWURHXCHCVGQ-ZDUSSCGKSA-N 0 0 289.383 1.691 50 0 CDAARN 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CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003463642 169889897 /nfs/dbraw/zinc/88/98/97/169889897.db2.gz KIXGYERKSACEQN-UHFFFAOYSA-N 0 0 294.311 1.032 50 0 CDAARN CNC(=O)NC(=O)CSc1ccc(C)c(C)c1 ZINC000003518586 169893546 /nfs/dbraw/zinc/89/35/46/169893546.db2.gz MXXNUXKIPVMUOT-UHFFFAOYSA-N 0 0 252.339 1.851 50 0 CDAARN CCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 ZINC000004101609 169931700 /nfs/dbraw/zinc/93/17/00/169931700.db2.gz RUOXQYPDHRTRBI-LBPRGKRZSA-N 0 0 283.324 1.879 50 0 CDAARN C[C@@](O)(CO)COCc1ccccc1Br ZINC000004106863 169932773 /nfs/dbraw/zinc/93/27/73/169932773.db2.gz NDVLCJVPWSZLCB-LLVKDONJSA-N 0 0 275.142 1.709 50 0 CDAARN O=C(NCCNC(=O)c1ccccc1F)c1ccccn1 ZINC000004487337 169971228 /nfs/dbraw/zinc/97/12/28/169971228.db2.gz JRKRNDWHIXAXLZ-UHFFFAOYSA-N 0 0 287.294 1.381 50 0 CDAARN O[C@@](Cn1cncn1)(c1ccc(F)cc1)c1ccccn1 ZINC000004708827 170003083 /nfs/dbraw/zinc/00/30/83/170003083.db2.gz MMDZEEKWCDQEKV-HNNXBMFYSA-N 0 0 284.294 1.748 50 0 CDAARN 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CCCN(N=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O ZINC000005053383 170061964 /nfs/dbraw/zinc/06/19/64/170061964.db2.gz DOQQUKOHBRODDW-GFCCVEGCSA-N 0 0 291.307 1.721 50 0 CDAARN C[C@H](Sc1nncn1C)C(=O)NC1CCCC1 ZINC000005118747 170067870 /nfs/dbraw/zinc/06/78/70/170067870.db2.gz WRKOTTIFRNPGQS-QMMMGPOBSA-N 0 0 254.359 1.355 50 0 CDAARN COc1ccc(Cc2n[nH]c(=S)[nH]c2=O)cc1OC ZINC000005129316 170069201 /nfs/dbraw/zinc/06/92/01/170069201.db2.gz GPDRWOLGGUTHNC-UHFFFAOYSA-N 0 0 279.321 1.435 50 0 CDAARN COCc1c2ccccc2oc1C(=O)O[C@@H](C)C(N)=O ZINC000005199952 170075573 /nfs/dbraw/zinc/07/55/73/170075573.db2.gz CMJWAPYXBTUPEF-QMMMGPOBSA-N 0 0 277.276 1.610 50 0 CDAARN CCn1nnc2c1ncnc2Nc1ccc2c(c1)OCO2 ZINC000005250583 170079566 /nfs/dbraw/zinc/07/95/66/170079566.db2.gz NSCPFPSAYQSJIJ-UHFFFAOYSA-N 0 0 284.279 1.714 50 0 CDAARN CC(=O)NCCNC(=O)Nc1cn(C)c2ccccc12 ZINC000005265745 170081291 /nfs/dbraw/zinc/08/12/91/170081291.db2.gz CAROATRKLNLRMC-UHFFFAOYSA-N 0 0 274.324 1.436 50 0 CDAARN 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ZINC000076964005 177135726 /nfs/dbraw/zinc/13/57/26/177135726.db2.gz MWTFQWYNOYHJRV-UHFFFAOYSA-N 0 0 286.295 1.053 50 0 CDAARN COC(=O)c1ccc(C(=O)NCC[C@@H](O)C2CC2)cc1 ZINC000077107639 177224445 /nfs/dbraw/zinc/22/44/45/177224445.db2.gz QOOOERZABNGFHH-CYBMUJFWSA-N 0 0 277.320 1.364 50 0 CDAARN Cn1cc(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cn1 ZINC000077303249 177250842 /nfs/dbraw/zinc/25/08/42/177250842.db2.gz KGSNOPMUZQFAMI-JTQLQIEISA-N 0 0 259.313 1.163 50 0 CDAARN COc1ccccc1OC1CN(c2cnccn2)C1 ZINC000077319083 177251950 /nfs/dbraw/zinc/25/19/50/177251950.db2.gz REGMTOZHSLPLLJ-UHFFFAOYSA-N 0 0 257.293 1.753 50 0 CDAARN Cc1cc(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)on1 ZINC000077457315 177270993 /nfs/dbraw/zinc/27/09/93/177270993.db2.gz BYBDPYRJHKGDGC-GFCCVEGCSA-N 0 0 294.351 1.370 50 0 CDAARN Cn1cccc1C(=O)C(=O)N[C@H]1CC[C@@H]2CCC[C@@H]21 ZINC000077518717 177277836 /nfs/dbraw/zinc/27/78/36/177277836.db2.gz ZIEPUKHGRULXQO-SRVKXCTJSA-N 0 0 260.337 1.903 50 0 CDAARN O=C(NCc1ccc(F)cc1)c1cnn2c1OCCC2 ZINC000077889161 177306793 /nfs/dbraw/zinc/30/67/93/177306793.db2.gz GWOXVNOLEPNQGX-UHFFFAOYSA-N 0 0 275.283 1.735 50 0 CDAARN Cn1cnnc1NC(=O)C[C@H]1OCCc2ccccc21 ZINC000097379052 544552973 /nfs/dbraw/zinc/55/29/73/544552973.db2.gz XJILHKUNJQZMNO-GFCCVEGCSA-N 0 0 272.308 1.458 50 0 CDAARN Cc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O ZINC000013549929 292631236 /nfs/dbraw/zinc/63/12/36/292631236.db2.gz SIWQWWDYLADSCY-RNJOBUHISA-N 0 0 255.273 1.438 50 0 CDAARN COc1cccc(NC(=O)COC(=O)C2CCC2)c1 ZINC000005507492 260018467 /nfs/dbraw/zinc/01/84/67/260018467.db2.gz XXQFPCKPLBRJIM-UHFFFAOYSA-N 0 0 263.293 1.977 50 0 CDAARN O=C(NC1(Cc2ccc(F)cc2)CC1)[C@H]1CNC(=O)C1 ZINC000519327168 265394563 /nfs/dbraw/zinc/39/45/63/265394563.db2.gz JGCLKAXQTGVRGV-LLVKDONJSA-N 0 0 276.311 1.153 50 0 CDAARN C[C@@H](C(=O)NCCOC(N)=O)c1ccccc1F ZINC000097371430 265438042 /nfs/dbraw/zinc/43/80/42/265438042.db2.gz KLLYKYYMXKGBAX-MRVPVSSYSA-N 0 0 254.261 1.141 50 0 CDAARN COC[C@]1(C)NC(=O)N(CCCc2cccc(F)c2)C1=O ZINC000097047937 424619024 /nfs/dbraw/zinc/61/90/24/424619024.db2.gz BWWRONHBKKYRAW-HNNXBMFYSA-N 0 0 294.326 1.715 50 0 CDAARN O=c1[nH]c2ccc(-c3cccc4ccnn43)cc2c(=O)o1 ZINC000072133218 275042513 /nfs/dbraw/zinc/04/25/13/275042513.db2.gz DPBZKJIDQKUEMC-UHFFFAOYSA-N 0 0 279.255 1.796 50 0 CDAARN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)[C@@H]1c1ccccc1 ZINC000096441174 287879915 /nfs/dbraw/zinc/87/99/15/287879915.db2.gz OVZJTDBFVPQYFZ-RISCZKNCSA-N 0 0 281.377 1.641 50 0 CDAARN CN1C(=O)COc2cc(NC(=O)c3cscn3)ccc21 ZINC000096749593 277010368 /nfs/dbraw/zinc/01/03/68/277010368.db2.gz DLSDKFXQHWQOLI-UHFFFAOYSA-N 0 0 289.316 1.751 50 0 CDAARN CC(=O)N1NC(C(F)(F)F)=C[C@]1(O)c1ccncc1 ZINC000000324037 277021134 /nfs/dbraw/zinc/02/11/34/277021134.db2.gz MLPWSPDKQYTJBG-JTQLQIEISA-N 0 0 273.214 1.397 50 0 CDAARN COC(=O)[C@@H]1C(=O)N[C@]2(C)C[C@H]1c1cc(Cl)ccc1O2 ZINC000005528631 277343351 /nfs/dbraw/zinc/34/33/51/277343351.db2.gz BPGGFBIZPWGSCZ-CHIMOYNISA-N 0 0 295.722 1.841 50 0 CDAARN CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000089801947 277771220 /nfs/dbraw/zinc/77/12/20/277771220.db2.gz UBDMKPBRPOMEAZ-CQSZACIVSA-N 0 0 285.347 1.765 50 0 CDAARN C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCOC1 ZINC000246354037 277876342 /nfs/dbraw/zinc/87/63/42/277876342.db2.gz GEOFNDXKKIDFQM-OCCSQVGLSA-N 0 0 274.364 1.890 50 0 CDAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccc2)S1 ZINC000000054578 278086505 /nfs/dbraw/zinc/08/65/05/278086505.db2.gz JEFVYQYZCAVNTP-CYBMUJFWSA-N 0 0 277.349 1.862 50 0 in-vitro CDAARN COc1nonc1-n1nnc(C(=O)c2ccccc2)c1C ZINC000000092211 278103444 /nfs/dbraw/zinc/10/34/44/278103444.db2.gz IFENCHXRZBGICG-UHFFFAOYSA-N 0 0 285.263 1.198 50 0 CDAARN CC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000408524050 278226018 /nfs/dbraw/zinc/22/60/18/278226018.db2.gz XFQNCNJXIKNSDD-NEPJUHHUSA-N 0 0 266.341 1.015 50 0 CDAARN CC(=O)[C@@H]1[C@H](c2ccccc2)n2ncnc2N[C@@]1(C)O ZINC000004387850 278232981 /nfs/dbraw/zinc/23/29/81/278232981.db2.gz MBLDMKSKLGOJNN-DYEKYZERSA-N 0 0 272.308 1.207 50 0 CDAARN C[C@H]1CC(=O)c2cn3nc(-c4cccnc4)nc3nc2C1 ZINC000005485637 278322798 /nfs/dbraw/zinc/32/27/98/278322798.db2.gz VEIVDJUAKPYEBF-SECBINFHSA-N 0 0 279.303 1.951 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)CCO2 ZINC000066324409 278383448 /nfs/dbraw/zinc/38/34/48/278383448.db2.gz AFBZDBVIWMIHPG-NSHDSACASA-N 0 0 271.357 1.927 50 0 CDAARN CC(C)(C)OC(=O)N1CCOC[C@@](O)(C(F)(F)F)C1 ZINC000261508658 278402627 /nfs/dbraw/zinc/40/26/27/278402627.db2.gz VOKHXMWJEAGUBN-SNVBAGLBSA-N 0 0 285.262 1.547 50 0 CDAARN CC1=C2[C@@H](CCS2(=O)=O)c2c(O)ccc(O)c2C1 ZINC000004025183 278493438 /nfs/dbraw/zinc/49/34/38/278493438.db2.gz MGDGYSCJMNYPJT-QMMMGPOBSA-N 0 0 266.318 1.830 50 0 biogenic CDAARN Cn1c2ccc(C(=O)N3CCCCC3)cc2[nH]c1=O ZINC000089745622 279266585 /nfs/dbraw/zinc/26/65/85/279266585.db2.gz IETHMRVPBLFSBB-UHFFFAOYSA-N 0 0 259.309 1.493 50 0 CDAARN CC(C)N(C(=O)CN1CCCCCC1=O)C1CC1 ZINC000084597211 279277378 /nfs/dbraw/zinc/27/73/78/279277378.db2.gz ROTRATGWEYPPLF-UHFFFAOYSA-N 0 0 252.358 1.788 50 0 CDAARN CC(C)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O ZINC000004515018 279573939 /nfs/dbraw/zinc/57/39/39/279573939.db2.gz QULKSOUWDZVWRR-QMTHXVAHSA-N 0 0 281.356 1.012 50 0 CDAARN O=C(CN1CCOCC1)N[C@H]1CCCc2ccccc21 ZINC000038334033 279772600 /nfs/dbraw/zinc/77/26/00/279772600.db2.gz VILMIKQLLAMNEA-HNNXBMFYSA-N 0 0 274.364 1.512 50 0 CDAARN CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1C=CCCC1 ZINC000096466089 279935667 /nfs/dbraw/zinc/93/56/67/279935667.db2.gz WRXZNISQTYPUQP-NWDGAFQWSA-N 0 0 265.357 1.261 50 0 CDAARN Cc1cc(-c2ccc(F)cc2)nc2cc(C(N)=O)nn21 ZINC000001517083 280284897 /nfs/dbraw/zinc/28/48/97/280284897.db2.gz SYUGUZAQRKHQMF-UHFFFAOYSA-N 0 0 270.267 1.943 50 0 CDAARN O=Cc1c[nH]c2ncc(I)cc12 ZINC000206020765 280333967 /nfs/dbraw/zinc/33/39/67/280333967.db2.gz HLQWQIZDLGNXAS-UHFFFAOYSA-N 0 0 272.045 1.980 50 0 CDAARN CC[C@H](c1ccncc1)N(C)CC(=O)N1CCOCC1 ZINC000095977323 281027032 /nfs/dbraw/zinc/02/70/32/281027032.db2.gz VZPLKJDPNHJCHP-CQSZACIVSA-N 0 0 277.368 1.323 50 0 CDAARN Cc1cnccc1CN1C[C@]2(CCOC2)CCC1=O ZINC000091974167 292978209 /nfs/dbraw/zinc/97/82/09/292978209.db2.gz NXYDTLHDLGSFBE-OAHLLOKOSA-N 0 0 260.337 1.919 50 0 CDAARN Cc1csc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000008273619 293047685 /nfs/dbraw/zinc/04/76/85/293047685.db2.gz UXIFBOQIXZALBJ-VIFPVBQESA-N 0 0 267.354 1.647 50 0 CDAARN CO[C@@H](C)CS(=O)(=O)N1CCCc2ccccc2C1 ZINC000195232236 293450639 /nfs/dbraw/zinc/45/06/39/293450639.db2.gz RRTISTZGWWXDKD-LBPRGKRZSA-N 0 0 283.393 1.800 50 0 CDAARN Nc1cc2c(cc1I)OCO2 ZINC000071257334 295349672 /nfs/dbraw/zinc/34/96/72/295349672.db2.gz QJMNGYVZGVGPQH-UHFFFAOYSA-N 0 0 263.034 1.602 50 0 CDAARN O=C(NC1CCCC1)c1cc2c([nH]c1=O)CCCC2=O ZINC000029568856 295615376 /nfs/dbraw/zinc/61/53/76/295615376.db2.gz XRLJLZMMFWGRIO-UHFFFAOYSA-N 0 0 274.320 1.566 50 0 CDAARN C[C@H]1[C@H](c2ccccc2)OCN1CN1C(=O)CCC1=O ZINC000071772872 300711014 /nfs/dbraw/zinc/71/10/14/300711014.db2.gz ZRWHGPSWWJXUMK-XHDPSFHLSA-N 0 0 274.320 1.512 50 0 CDAARN Cc1ccc2nc(C)c(C)c(C(=O)N[C@H]3CCNC3=O)c2c1 ZINC000095513079 301924984 /nfs/dbraw/zinc/92/49/84/301924984.db2.gz YCELJOHNDZYCTC-AWEZNQCLSA-N 0 0 297.358 1.778 50 0 CDAARN Cc1ccccc1N1C(=S)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000007995071 302104469 /nfs/dbraw/zinc/10/44/69/302104469.db2.gz JWFDWHSXMQGKMY-MNOVXSKESA-N 0 0 299.442 1.999 50 0 CDAARN Cc1nc(NC(=O)[C@H](C)N2CCO[C@H](C)C2)sc1C ZINC000026911239 302608516 /nfs/dbraw/zinc/60/85/16/302608516.db2.gz RCSPEIYUVRGMQX-SCZZXKLOSA-N 0 0 283.397 1.808 50 0 CDAARN Cc1cccc(C)c1C(=O)N1CCn2nnc(CO)c2C1 ZINC000577214754 317287046 /nfs/dbraw/zinc/28/70/46/317287046.db2.gz KPWLSIGIQUTEBU-UHFFFAOYSA-N 0 0 286.335 1.043 50 0 CDAARN CC(C)C[C@H](NC(=O)C1CCOCC1)c1ncnn1C ZINC000534586965 328315763 /nfs/dbraw/zinc/31/57/63/328315763.db2.gz APGFZLRIJYFZDW-LBPRGKRZSA-N 0 0 280.372 1.445 50 0 CDAARN CCn1nc(C)cc1S(=O)(=O)N[C@H](C)c1cccnc1 ZINC000534589109 328317329 /nfs/dbraw/zinc/31/73/29/328317329.db2.gz FVGCAUNSEIQPNN-LLVKDONJSA-N 0 0 294.380 1.646 50 0 CDAARN Cn1ccnc1CCNC(=O)c1ccc2c(c1)CCC2 ZINC000534645970 328331899 /nfs/dbraw/zinc/33/18/99/328331899.db2.gz KVYWAJQMAUMJCP-UHFFFAOYSA-N 0 0 269.348 1.881 50 0 CDAARN C[C@@H](NC(=O)c1[nH]ncc1Cl)c1nc(C2CC2)no1 ZINC000534652500 328338316 /nfs/dbraw/zinc/33/83/16/328338316.db2.gz OPYBHICEGYRIKF-RXMQYKEDSA-N 0 0 281.703 1.815 50 0 CDAARN Cc1cccc([C@H](C)NC(=O)CCc2ccnn2C)n1 ZINC000534659585 328342099 /nfs/dbraw/zinc/34/20/99/328342099.db2.gz IXPSWSITFBMNRB-LBPRGKRZSA-N 0 0 272.352 1.934 50 0 CDAARN CC[C@@H](NC(=O)c1cc(OC)ccn1)c1ncnn1C ZINC000534659719 328342529 /nfs/dbraw/zinc/34/25/29/328342529.db2.gz PIFASWNOPXNYNK-SNVBAGLBSA-N 0 0 275.312 1.100 50 0 CDAARN Cc1cc(-c2cc(C(=O)N3CCN(C)CC3)ccn2)n[nH]1 ZINC000534670806 328347207 /nfs/dbraw/zinc/34/72/07/328347207.db2.gz ISXJMRPNTCKXHY-UHFFFAOYSA-N 0 0 285.351 1.168 50 0 CDAARN CCOC(=O)N1CC[C@H](NCc2cc(C3CC3)on2)C1 ZINC000534672329 328348151 /nfs/dbraw/zinc/34/81/51/328348151.db2.gz OUNHNQHIRDTPOJ-NSHDSACASA-N 0 0 279.340 1.872 50 0 CDAARN CCO[C@H]1COC[C@@H]1NC(=O)Cc1sc(C)nc1C ZINC000534676962 328351960 /nfs/dbraw/zinc/35/19/60/328351960.db2.gz TZVTUXFSYCPQNG-QWRGUYRKSA-N 0 0 284.381 1.223 50 0 CDAARN O=c1scnn1Cc1nc(-c2ccsc2)no1 ZINC000097101516 323207322 /nfs/dbraw/zinc/20/73/22/323207322.db2.gz DOSRXUHOSFILBF-UHFFFAOYSA-N 0 0 266.307 1.465 50 0 CDAARN CCCCN(C)C(=O)CS[C@H]1CCN(C)C1=O ZINC000097378320 323208115 /nfs/dbraw/zinc/20/81/15/323208115.db2.gz MOPVUGBGJIDLMD-JTQLQIEISA-N 0 0 258.387 1.209 50 0 CDAARN COc1ccc(C)cc1C[S@@](=O)Cc1nnc(C)n1C ZINC000123537834 323209111 /nfs/dbraw/zinc/20/91/11/323209111.db2.gz ZGHCPAKGWGDSKF-FQEVSTJZSA-N 0 0 293.392 1.889 50 0 CDAARN Cn1c(CNC(=O)C[C@H]2CCCCO2)nnc1C1CCC1 ZINC000129152983 323210232 /nfs/dbraw/zinc/21/02/32/323210232.db2.gz QIHXONREVANGOG-GFCCVEGCSA-N 0 0 292.383 1.658 50 0 CDAARN CC(C)N(CC1CCC1)C(=O)NCC(=O)N1CCCC1 ZINC000193373796 323530777 /nfs/dbraw/zinc/53/07/77/323530777.db2.gz DKYGJILSXQXCGH-UHFFFAOYSA-N 0 0 281.400 1.829 50 0 CDAARN 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CDAARN CN(CCc1ccncc1)C(=O)C[C@@H]1C=CS(=O)(=O)C1 ZINC000215287235 390991970 /nfs/dbraw/zinc/99/19/70/390991970.db2.gz WWNKODOBFRVXEO-ZDUSSCGKSA-N 0 0 294.376 1.031 50 0 CDAARN CN(C)CC(=O)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000188869403 391056070 /nfs/dbraw/zinc/05/60/70/391056070.db2.gz JCKCBHGCPFGWGX-SNVBAGLBSA-N 0 0 258.321 1.655 50 0 CDAARN Cc1n[nH]c(C)c1CCCNC(=O)[C@H](O)c1ccccc1 ZINC000220257403 391081174 /nfs/dbraw/zinc/08/11/74/391081174.db2.gz MHMYXYBAQCAZIS-OAHLLOKOSA-N 0 0 287.363 1.809 50 0 CDAARN COC(=O)[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccnc1 ZINC000096495867 533317427 /nfs/dbraw/zinc/31/74/27/533317427.db2.gz AJBNKFFQCIIHFI-DGCLKSJQSA-N 0 0 274.320 1.768 50 0 CDAARN CCC1(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CCC1 ZINC000174931119 391128729 /nfs/dbraw/zinc/12/87/29/391128729.db2.gz IDRMPKUTEWNDGX-GWCFXTLKSA-N 0 0 282.409 1.889 50 0 CDAARN COC(=O)[C@H](NC(=O)[C@H]1CC=CCC1)c1cccnc1 ZINC000096495863 533320344 /nfs/dbraw/zinc/32/03/44/533320344.db2.gz AJBNKFFQCIIHFI-WCQYABFASA-N 0 0 274.320 1.768 50 0 CDAARN CSC1(CNC(=O)N[C@H]2C[C@H]2C)CCOCC1 ZINC000096439772 533502708 /nfs/dbraw/zinc/50/27/08/533502708.db2.gz UCKLRLRQIQBFGJ-ZJUUUORDSA-N 0 0 258.387 1.606 50 0 CDAARN Cc1nc(NC(=O)[C@@H](C)Oc2ccccc2)n(C)n1 ZINC000183741815 391308678 /nfs/dbraw/zinc/30/86/78/391308678.db2.gz DOCOXLAUCDUICF-SECBINFHSA-N 0 0 260.297 1.530 50 0 CDAARN CCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)[C@@H]2O ZINC000032124013 391366315 /nfs/dbraw/zinc/36/63/15/391366315.db2.gz MBRWLQSQZASSPU-AXTFLNQGSA-N 0 0 294.439 1.680 50 0 biogenic CDAARN Cc1noc(CCCC(=O)Nc2nnc(C)n2C2CC2)n1 ZINC000285800626 391501546 /nfs/dbraw/zinc/50/15/46/391501546.db2.gz QHLVWCWMRHJNCP-UHFFFAOYSA-N 0 0 290.327 1.574 50 0 CDAARN C[C@@H]1COc2ccccc2CN1C(=O)Cc1cncnc1 ZINC000290777793 391629283 /nfs/dbraw/zinc/62/92/83/391629283.db2.gz RWNXWZXUQBTKFU-GFCCVEGCSA-N 0 0 283.331 1.829 50 0 CDAARN O=C(Nc1ncccc1Br)c1cn[nH]n1 ZINC000086558491 391650314 /nfs/dbraw/zinc/65/03/14/391650314.db2.gz BJDLFMTZGZEKMP-UHFFFAOYSA-N 0 0 268.074 1.215 50 0 CDAARN NCC(F)(F)CNC(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000190256893 130081091 /nfs/dbraw/zinc/08/10/91/130081091.db2.gz QRYWYFDAZRUGHX-TZMCWYRMSA-N 0 0 280.318 1.601 50 0 CDAARN COC(=O)[C@]1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCOC1 ZINC000088222493 291982971 /nfs/dbraw/zinc/98/29/71/291982971.db2.gz MVPODEALSXWJNC-IOASZLSFSA-N 0 0 295.379 1.651 50 0 CDAARN NC(=O)Cn1cc(CN2CCCCc3ccccc32)nn1 ZINC000459542676 391856940 /nfs/dbraw/zinc/85/69/40/391856940.db2.gz LHCKTGATILWNFR-UHFFFAOYSA-N 0 0 285.351 1.106 50 0 CDAARN COc1ccc(-c2ccnc3c(C(N)=O)cnn32)c(F)c1 ZINC000032087747 391936758 /nfs/dbraw/zinc/93/67/58/391936758.db2.gz KEELUDQVJTVLSF-UHFFFAOYSA-N 0 0 286.266 1.643 50 0 CDAARN CC(C)n1cc(NC(=O)CN2CCCCC2=O)cn1 ZINC000550445421 392009573 /nfs/dbraw/zinc/00/95/73/392009573.db2.gz DSUASBBJNGWFOD-UHFFFAOYSA-N 0 0 264.329 1.415 50 0 CDAARN CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000008219219 391949506 /nfs/dbraw/zinc/94/95/06/391949506.db2.gz UGSIBNPHKYHQFH-WDEREUQCSA-N 0 0 254.374 1.938 50 0 CDAARN C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H](C)O1 ZINC000008743848 391964033 /nfs/dbraw/zinc/96/40/33/391964033.db2.gz YWHZRZDHVLRNEZ-NXEZZACHSA-N 0 0 263.341 1.538 50 0 CDAARN O=C(CC1CCCC1)N1CCN(C(=O)C2CC2)CC1 ZINC000033028481 391973900 /nfs/dbraw/zinc/97/39/00/391973900.db2.gz GFXUABRFDYLUFK-UHFFFAOYSA-N 0 0 264.369 1.648 50 0 CDAARN CCSc1nc2cc(Cl)ccc2c(=O)n1N ZINC000071768827 392017967 /nfs/dbraw/zinc/01/79/67/392017967.db2.gz ZXVAISBQFXTIHB-UHFFFAOYSA-N 0 0 255.730 1.876 50 0 CDAARN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@H]1COCCN1 ZINC000262628118 131244327 /nfs/dbraw/zinc/24/43/27/131244327.db2.gz LWNRJJMSFBIXKR-BPLDGKMQSA-N 0 0 274.364 1.379 50 0 CDAARN C[C@H]1C[C@H](C(=O)N2CC3(C2)CNC(=O)O3)CC(C)(C)C1 ZINC000496994609 392385526 /nfs/dbraw/zinc/38/55/26/392385526.db2.gz GQYZRCPDHDPHMR-QWRGUYRKSA-N 0 0 280.368 1.770 50 0 CDAARN O=C([C@@H](c1cccnc1)N1CCOCC1)N1CCCC1 ZINC000091288700 304293850 /nfs/dbraw/zinc/29/38/50/304293850.db2.gz RTJKTTXWZSOTDT-CQSZACIVSA-N 0 0 275.352 1.077 50 0 CDAARN O=C(CCn1cnnn1)Nc1cccc2ccccc21 ZINC000524733529 392920108 /nfs/dbraw/zinc/92/01/08/392920108.db2.gz SKFVHRWKYMXFEZ-UHFFFAOYSA-N 0 0 267.292 1.855 50 0 CDAARN C[C@@H]1CC[C@H](C)N1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000130190371 392878140 /nfs/dbraw/zinc/87/81/40/392878140.db2.gz BKSUGWROKOLVGR-PHIMTYICSA-N 0 0 288.413 1.394 50 0 CDAARN CN(C)c1ncc(NC(=O)c2occ3c2CCOC3)cn1 ZINC000376111302 392974667 /nfs/dbraw/zinc/97/46/67/392974667.db2.gz COTJWXYRWXUVJF-UHFFFAOYSA-N 0 0 288.307 1.461 50 0 CDAARN Cc1cc(C(=O)NCCC(=O)Nc2ccccc2)n(C)n1 ZINC000096192436 393168505 /nfs/dbraw/zinc/16/85/05/393168505.db2.gz ZGTDVJFHLQOIMC-UHFFFAOYSA-N 0 0 286.335 1.487 50 0 CDAARN COC(=O)C1CCN(C(=O)/C=C\c2csc(C)n2)CC1 ZINC000096157833 393163350 /nfs/dbraw/zinc/16/33/50/393163350.db2.gz ANJLYNCMRKBHTF-ARJAWSKDSA-N 0 0 294.376 1.876 50 0 CDAARN Cn1cccc1C(=O)NCCCOC[C@H]1CCOC1 ZINC000096418886 393185070 /nfs/dbraw/zinc/18/50/70/393185070.db2.gz GHXPGRQVSCYCBE-GFCCVEGCSA-N 0 0 266.341 1.198 50 0 CDAARN O=C(COc1cccnc1Cl)NC[C@H]1CCCO1 ZINC000096418750 393185201 /nfs/dbraw/zinc/18/52/01/393185201.db2.gz VWFSRMGMWRBIJS-SECBINFHSA-N 0 0 270.716 1.409 50 0 CDAARN Cc1c(Cl)cccc1N1CCCN(CC(N)=O)CC1 ZINC000284704088 393193120 /nfs/dbraw/zinc/19/31/20/393193120.db2.gz IREPNACYZCCHFE-UHFFFAOYSA-N 0 0 281.787 1.646 50 0 CDAARN CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)N(c2ncnc3[nH]ccc32)C1 ZINC000284661552 393194012 /nfs/dbraw/zinc/19/40/12/393194012.db2.gz XVPZVJPJCMGWDQ-KOLCDFICSA-N 0 0 299.338 1.351 50 0 CDAARN OCCO[C@@H]1CCCN(c2ccncc2Cl)C1 ZINC000195535316 393274975 /nfs/dbraw/zinc/27/49/75/393274975.db2.gz LUMLPOVLNUEPGQ-SNVBAGLBSA-N 0 0 256.733 1.713 50 0 CDAARN Cn1cnnc1SCC(=O)N1CCCc2ccccc21 ZINC000000052914 134517934 /nfs/dbraw/zinc/51/79/34/134517934.db2.gz VEJDPDTYTCDFGA-UHFFFAOYSA-N 0 0 288.376 1.887 50 0 CDAARN CCN1C(=O)CCc2cc(NC(=O)COC)ccc21 ZINC000009134216 134528373 /nfs/dbraw/zinc/52/83/73/134528373.db2.gz MGBMDHMLRLARDU-UHFFFAOYSA-N 0 0 262.309 1.571 50 0 CDAARN O=C(c1cc2occc2[nH]1)N1CCN(c2ncccn2)CC1 ZINC000085472901 135037760 /nfs/dbraw/zinc/03/77/60/135037760.db2.gz WNKOAMQKOMFVNX-UHFFFAOYSA-N 0 0 297.318 1.513 50 0 CDAARN Cc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000006430612 292080245 /nfs/dbraw/zinc/08/02/45/292080245.db2.gz QAGZQRQLMQEDGI-UHFFFAOYSA-N 0 0 292.335 1.776 50 0 CDAARN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccnc3C)[C@@H]2C1 ZINC000095438267 285747371 /nfs/dbraw/zinc/74/73/71/285747371.db2.gz RDGMJZLCYRWPDA-BPLDGKMQSA-N 0 0 290.363 1.799 50 0 CDAARN Cc1ccc(S(=O)(=O)N2C[C@@H]3CC(=O)[C@H]3C2)cc1 ZINC000242554693 397601418 /nfs/dbraw/zinc/60/14/18/397601418.db2.gz MTXWWLRSSOSHIC-JQWIXIFHSA-N 0 0 265.334 1.205 50 0 CDAARN CCN1C(=O)C[C@@H](Nc2ccc(SC)cc2)C1=O ZINC000102656223 397867267 /nfs/dbraw/zinc/86/72/67/397867267.db2.gz JTXVDJAYJWJMAK-LLVKDONJSA-N 0 0 264.350 1.968 50 0 CDAARN CC[S@](=O)c1ccccc1C(=O)N[C@H](CO)C(C)C ZINC000097047563 397946642 /nfs/dbraw/zinc/94/66/42/397946642.db2.gz MLODEXISOKDLJM-CWTRNNRKSA-N 0 0 283.393 1.561 50 0 CDAARN Cc1ccc(S(=O)(=O)N(C)CC2(O)CCCC2)s1 ZINC000095978052 147113284 /nfs/dbraw/zinc/11/32/84/147113284.db2.gz PIAPNDMJBXOMOP-UHFFFAOYSA-N 0 0 289.422 1.982 50 0 CDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CCCCC1 ZINC000102266743 147149384 /nfs/dbraw/zinc/14/93/84/147149384.db2.gz YSMDPEALFQHLCZ-BETUJISGSA-N 0 0 292.379 1.564 50 0 CDAARN COc1ccc(Br)cc1S(C)(=O)=O ZINC000082163847 286270470 /nfs/dbraw/zinc/27/04/70/286270470.db2.gz XMGUUWRHYPQTHF-UHFFFAOYSA-N 0 0 265.128 1.861 50 0 CDAARN C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@@H]2[C@H](O)/C=C/C(=O)O1 ZINC000003947487 299743181 /nfs/dbraw/zinc/74/31/81/299743181.db2.gz KQNZDYYTLMIZCT-MQTBDASESA-N 0 0 280.364 1.962 50 0 CDAARN COc1ccc([C@H]2CCCN2CC(=O)NC(N)=O)cc1 ZINC000017288537 286378230 /nfs/dbraw/zinc/37/82/30/286378230.db2.gz ISRHSFRKZQSGNF-GFCCVEGCSA-N 0 0 277.324 1.027 50 0 CDAARN COc1cccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)c1 ZINC000017043359 286462782 /nfs/dbraw/zinc/46/27/82/286462782.db2.gz GXVVQIYIIWDSTO-NSHDSACASA-N 0 0 285.303 1.561 50 0 CDAARN Cc1c(NC(=O)Cn2cc3ccccc3n2)cnn1C ZINC000362687348 159213480 /nfs/dbraw/zinc/21/34/80/159213480.db2.gz BKXRDMZXMCIHKF-UHFFFAOYSA-N 0 0 269.308 1.717 50 0 CDAARN CCc1nn(C)c(Cl)c1CN1CCN2C(=O)OC[C@H]2C1 ZINC000378342919 160641462 /nfs/dbraw/zinc/64/14/62/160641462.db2.gz QRSFOAUBYNAKCP-SECBINFHSA-N 0 0 298.774 1.272 50 0 CDAARN NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000001793737 169757759 /nfs/dbraw/zinc/75/77/59/169757759.db2.gz PQLKEVNOEOGTII-UHFFFAOYSA-N 0 0 259.261 1.146 50 0 biogenic CDAARN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCn2ccnc2C1 ZINC000097201649 287160847 /nfs/dbraw/zinc/16/08/47/287160847.db2.gz UKNOOAABXREFNF-NSHDSACASA-N 0 0 295.346 1.696 50 0 CDAARN COc1ccc(CCNC(=O)C(=O)NCCC(C)C)cc1 ZINC000002291157 169784857 /nfs/dbraw/zinc/78/48/57/169784857.db2.gz DISFIOCTHDXDNN-UHFFFAOYSA-N 0 0 292.379 1.516 50 0 CDAARN COC(=O)[C@@H](NC(=O)NCc1cccs1)C(C)C ZINC000002400002 169791386 /nfs/dbraw/zinc/79/13/86/169791386.db2.gz NIXRZICGPKSOFH-JTQLQIEISA-N 0 0 270.354 1.745 50 0 CDAARN CC(=O)c1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 ZINC000003656429 169906578 /nfs/dbraw/zinc/90/65/78/169906578.db2.gz WCXYBXRQVGFBSM-GFCCVEGCSA-N 0 0 260.293 1.354 50 0 CDAARN O=C(C[C@@H]1CCS(=O)(=O)C1)NCc1ccccc1 ZINC000004194957 169942591 /nfs/dbraw/zinc/94/25/91/169942591.db2.gz LZUJVGJPFTVEGM-LBPRGKRZSA-N 0 0 267.350 1.128 50 0 CDAARN CCCN1C(=O)C[C@@H](Nc2ccc(N(C)C)cc2)C1=O ZINC000004317717 169957337 /nfs/dbraw/zinc/95/73/37/169957337.db2.gz RBTUTAHZJMPQMZ-CYBMUJFWSA-N 0 0 275.352 1.702 50 0 CDAARN Cc1ccc(CCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000004387481 169963693 /nfs/dbraw/zinc/96/36/93/169963693.db2.gz DJNNBIJDHDMUPE-CQSZACIVSA-N 0 0 295.404 1.621 50 0 CDAARN COC(=O)CNC(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000004696285 170000447 /nfs/dbraw/zinc/00/04/47/170000447.db2.gz SNWOGOFXWVRUNC-UHFFFAOYSA-N 0 0 278.308 1.184 50 0 CDAARN COC(=O)CN1C(=O)S/C(=C/c2cccc(C)n2)C1=O ZINC000004703690 170001821 /nfs/dbraw/zinc/00/18/21/170001821.db2.gz CXEHXTYRXARHKP-UXBLZVDNSA-N 0 0 292.316 1.599 50 0 CDAARN Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000004731500 170007178 /nfs/dbraw/zinc/00/71/78/170007178.db2.gz VXWYAWUOLFPCNW-LBPRGKRZSA-N 0 0 299.334 1.725 50 0 CDAARN COC(=O)CCCn1nc(NC(=O)c2ccco2)cc1C ZINC000004770245 170014066 /nfs/dbraw/zinc/01/40/66/170014066.db2.gz HBHJBXGJRPFZBE-UHFFFAOYSA-N 0 0 291.307 1.990 50 0 CDAARN CCOC(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C ZINC000004814315 170022078 /nfs/dbraw/zinc/02/20/78/170022078.db2.gz FXYXWTBHSVPEJX-UHFFFAOYSA-N 0 0 292.335 1.717 50 0 CDAARN COc1cc2c(cc1OC)C[N@H+](CC(=O)[O-])CC2 ZINC000004866171 170032787 /nfs/dbraw/zinc/03/27/87/170032787.db2.gz KOKCWVXXMLKNQC-UHFFFAOYSA-N 0 0 251.282 1.147 50 0 biogenic CDAARN CCC(=O)Oc1ccc(C(=O)N2CCOCC2)cc1 ZINC000004868433 170034137 /nfs/dbraw/zinc/03/41/37/170034137.db2.gz UBFYVBYQDFYPDH-UHFFFAOYSA-N 0 0 263.293 1.474 50 0 CDAARN COCCNC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000004921324 170041112 /nfs/dbraw/zinc/04/11/12/170041112.db2.gz WVVWOMABVGXIRP-UHFFFAOYSA-N 0 0 293.298 1.571 50 0 CDAARN Cc1nc2ncnn2c(C)c1CCC(=O)NCCC(C)C ZINC000004935956 170042408 /nfs/dbraw/zinc/04/24/08/170042408.db2.gz IGJAVXTXNYOXJR-UHFFFAOYSA-N 0 0 289.383 1.836 50 0 CDAARN CC(C)OC[C@H](O)C[S@@](=O)Cc1ccccc1 ZINC000004948505 170044618 /nfs/dbraw/zinc/04/46/18/170044618.db2.gz RGRKFEQYNLZNMK-SUMWQHHRSA-N 0 0 256.367 1.721 50 0 CDAARN COc1ccc(CNc2nc3c(c(=O)[nH]2)CCC3)cc1 ZINC000005009591 170054856 /nfs/dbraw/zinc/05/48/56/170054856.db2.gz DNEHMERLBXRCHX-UHFFFAOYSA-N 0 0 271.320 1.879 50 0 CDAARN COc1cc(CNc2nn[nH]n2)cc(Cl)c1OC ZINC000005019216 170056607 /nfs/dbraw/zinc/05/66/07/170056607.db2.gz JBEIRRFYPHHSOM-UHFFFAOYSA-N 0 0 269.692 1.482 50 0 CDAARN COc1ccc(C2=NO[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000005029158 170058075 /nfs/dbraw/zinc/05/80/75/170058075.db2.gz LSEWKOKJGGTZDP-AWEZNQCLSA-N 0 0 274.320 1.811 50 0 CDAARN CCOC(=O)CNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000005054307 170061828 /nfs/dbraw/zinc/06/18/28/170061828.db2.gz SYWLYACRXKZMHQ-UHFFFAOYSA-N 0 0 296.323 1.101 50 0 CDAARN CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)OC)n1 ZINC000005154785 170071493 /nfs/dbraw/zinc/07/14/93/170071493.db2.gz ZMGZQYLHHOWVNL-ZETCQYMHSA-N 0 0 256.327 1.376 50 0 CDAARN Cc1ccccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000005237889 170078416 /nfs/dbraw/zinc/07/84/16/170078416.db2.gz JHZQTWJCSGCSGG-UHFFFAOYSA-N 0 0 290.348 1.391 50 0 CDAARN Cn1nnc2c1ncnc2NCCc1c[nH]c2ccccc12 ZINC000005250371 170079290 /nfs/dbraw/zinc/07/92/90/170079290.db2.gz ITBNNUQZJSWCHS-UHFFFAOYSA-N 0 0 293.334 1.894 50 0 CDAARN Cc1cc(C)n2nc(C(=O)NCc3ccccn3)nc2n1 ZINC000005351058 170088725 /nfs/dbraw/zinc/08/87/25/170088725.db2.gz GSLBFECYMBINOP-UHFFFAOYSA-N 0 0 282.307 1.066 50 0 CDAARN CC(=O)c1cccc(Nc2ncnc3c2nnn3C)c1 ZINC000005381254 170092046 /nfs/dbraw/zinc/09/20/46/170092046.db2.gz JAKUTEOBDQMOGY-UHFFFAOYSA-N 0 0 268.280 1.705 50 0 CDAARN CC(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000005461087 170101419 /nfs/dbraw/zinc/10/14/19/170101419.db2.gz FGEXMHYVLSJWIS-UHFFFAOYSA-N 0 0 262.309 1.646 50 0 CDAARN CCOc1ccc(C(=O)NCCOC)cc1OCC ZINC000005466480 170101912 /nfs/dbraw/zinc/10/19/12/170101912.db2.gz QPLFVQWUEJPONC-UHFFFAOYSA-N 0 0 267.325 1.860 50 0 CDAARN CCOc1ccc(C(=O)NN2CCOCC2)cc1 ZINC000005475511 170102693 /nfs/dbraw/zinc/10/26/93/170102693.db2.gz VIXMSHOARZSZKC-UHFFFAOYSA-N 0 0 250.298 1.062 50 0 CDAARN CC(=O)c1ccc(-c2ccc(C(=O)OCC(N)=O)o2)cc1 ZINC000005540820 170110660 /nfs/dbraw/zinc/11/06/60/170110660.db2.gz KZXPRCYFXYXQPY-UHFFFAOYSA-N 0 0 287.271 1.791 50 0 CDAARN CCNC(=O)CCc1nc(-c2cccc(OC)c2)no1 ZINC000005561724 170114260 /nfs/dbraw/zinc/11/42/60/170114260.db2.gz PVBXWIZYVKGINN-UHFFFAOYSA-N 0 0 275.308 1.814 50 0 CDAARN CC(C)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000005859521 170147695 /nfs/dbraw/zinc/14/76/95/170147695.db2.gz ZVECDTDKLHPPGC-UHFFFAOYSA-N 0 0 285.365 1.782 50 0 CDAARN CC[C@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC ZINC000005875140 170149564 /nfs/dbraw/zinc/14/95/64/170149564.db2.gz ACAWEZODERXNEU-ZETCQYMHSA-N 0 0 293.245 1.120 50 0 CDAARN CC(C)CNC(=O)COc1ncnc2sccc21 ZINC000006051620 170172141 /nfs/dbraw/zinc/17/21/41/170172141.db2.gz HRWFYCMJRHYECV-UHFFFAOYSA-N 0 0 265.338 1.842 50 0 CDAARN NC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000006084480 170174695 /nfs/dbraw/zinc/17/46/95/170174695.db2.gz DXEVFTCYKRMWND-CYBMUJFWSA-N 0 0 275.352 1.325 50 0 CDAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(N)n[nH]1 ZINC000006260776 170186102 /nfs/dbraw/zinc/18/61/02/170186102.db2.gz AWIQAUBRNUVIBZ-HTQZYQBOSA-N 0 0 269.374 1.174 50 0 CDAARN NC(=O)CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000006303331 170189440 /nfs/dbraw/zinc/18/94/40/170189440.db2.gz CRGHBMORFZDUOK-UHFFFAOYSA-N 0 0 295.389 1.441 50 0 CDAARN C/C=C/C=C\C(=O)OCC(=O)NC(=O)NCc1ccco1 ZINC000006502427 170207614 /nfs/dbraw/zinc/20/76/14/170207614.db2.gz PGSSXJSVVLMXBS-SWBALALESA-N 0 0 292.291 1.281 50 0 CDAARN O=C(CSc1nnc(C2CC2)o1)NC[C@H]1CCCO1 ZINC000006579529 170215199 /nfs/dbraw/zinc/21/51/99/170215199.db2.gz RSGDEOOVAGGZER-SECBINFHSA-N 0 0 283.353 1.334 50 0 CDAARN O=C(CSc1nnc(C2CC2)o1)NC[C@@H]1CCCO1 ZINC000006579531 170215442 /nfs/dbraw/zinc/21/54/42/170215442.db2.gz RSGDEOOVAGGZER-VIFPVBQESA-N 0 0 283.353 1.334 50 0 CDAARN COc1ccc(NC(=O)COC(=O)[C@@H]2C[C@H]2C)cc1OC ZINC000006641747 170221339 /nfs/dbraw/zinc/22/13/39/170221339.db2.gz NMZSBZNTQPGAKX-MWLCHTKSSA-N 0 0 293.319 1.842 50 0 CDAARN COC(=O)Cc1cc(=O)[nH]c(SC[C@H]2CCCCO2)n1 ZINC000006653985 170222836 /nfs/dbraw/zinc/22/28/36/170222836.db2.gz TUVZENIHSYKICU-SNVBAGLBSA-N 0 0 298.364 1.147 50 0 CDAARN O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000006702532 170229611 /nfs/dbraw/zinc/22/96/11/170229611.db2.gz BMEUKMAHPWJQSR-LLVKDONJSA-N 0 0 287.768 1.186 50 0 CDAARN CCc1nnc(SCC(=O)NC2CC2)n1CC ZINC000006725514 170232363 /nfs/dbraw/zinc/23/23/63/170232363.db2.gz MGFBUMWMXWMWBU-UHFFFAOYSA-N 0 0 254.359 1.231 50 0 CDAARN C[C@@H]1CCc2c(sc(NC(=O)CN(C)C)c2C(N)=O)C1 ZINC000006726974 170233502 /nfs/dbraw/zinc/23/35/02/170233502.db2.gz CYJNPMLOLNHEAK-MRVPVSSYSA-N 0 0 295.408 1.472 50 0 CDAARN COC(=O)c1ccc(COC(=O)c2cc[n+]([O-])cc2)cc1 ZINC000006735118 170236670 /nfs/dbraw/zinc/23/66/70/170236670.db2.gz JKOHFQJSKNOCAX-UHFFFAOYSA-N 0 0 287.271 1.464 50 0 CDAARN Cn1c(SCC(=O)NC2CC2)nnc1C1CC1 ZINC000006741391 170237236 /nfs/dbraw/zinc/23/72/36/170237236.db2.gz NHBHLCHWOUEADB-UHFFFAOYSA-N 0 0 252.343 1.063 50 0 CDAARN CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000006744550 170238842 /nfs/dbraw/zinc/23/88/42/170238842.db2.gz OZFUMQJEHVNFGR-MRVPVSSYSA-N 0 0 261.318 1.911 50 0 CDAARN CC(C)CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000006766170 170242138 /nfs/dbraw/zinc/24/21/38/170242138.db2.gz BCEMZVLUSFHLFR-UHFFFAOYSA-N 0 0 296.392 1.395 50 0 CDAARN Cc1nn(CC(=O)NC(C)C)c(=O)c2cc3occc3n21 ZINC000006807319 170245496 /nfs/dbraw/zinc/24/54/96/170245496.db2.gz BCROTNMVKROUNV-UHFFFAOYSA-N 0 0 288.307 1.075 50 0 CDAARN O=C(/C=C/c1ccccc1F)N[C@@H]1CCSC1=O ZINC000006884401 170252741 /nfs/dbraw/zinc/25/27/41/170252741.db2.gz IKSSZSYYJKDQGJ-MVIFTORASA-N 0 0 265.309 1.987 50 0 CDAARN O=C(NC1CCCCC1)c1cnc2sccn2c1=O ZINC000006886298 170253258 /nfs/dbraw/zinc/25/32/58/170253258.db2.gz AITHHZVDQFVYKJ-UHFFFAOYSA-N 0 0 277.349 1.819 50 0 CDAARN COc1ccc(-c2nnc(SCCO)o2)c(OC)c1 ZINC000007038606 170263127 /nfs/dbraw/zinc/26/31/27/170263127.db2.gz XLFKLJFBLWTITQ-UHFFFAOYSA-N 0 0 282.321 1.838 50 0 CDAARN CNC(=O)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000007197303 170271054 /nfs/dbraw/zinc/27/10/54/170271054.db2.gz MFLSCUXIWCTGTP-CYBMUJFWSA-N 0 0 293.319 1.147 50 0 CDAARN COCCCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000007373966 170279843 /nfs/dbraw/zinc/27/98/43/170279843.db2.gz RFDMMGRTQDVLBV-UHFFFAOYSA-N 0 0 289.353 1.019 50 0 CDAARN COc1ccccc1CCC(=O)OCC(=O)NC(C)C ZINC000007429267 170284459 /nfs/dbraw/zinc/28/44/59/170284459.db2.gz QLAPJJKMOSZRAP-UHFFFAOYSA-N 0 0 279.336 1.696 50 0 CDAARN C[C@@H](C(=O)NC1CC1)N(C)CC(=O)Nc1cccc(F)c1 ZINC000007579171 170291212 /nfs/dbraw/zinc/29/12/12/170291212.db2.gz RKEGYCBCSIYJMR-JTQLQIEISA-N 0 0 293.342 1.363 50 0 CDAARN O=C(OCc1nnc(-c2ccco2)o1)C1=COCCO1 ZINC000007655131 170296112 /nfs/dbraw/zinc/29/61/12/170296112.db2.gz FPBKUHGECNIGIG-UHFFFAOYSA-N 0 0 278.220 1.261 50 0 CDAARN CCOc1ccc(CN(C)CC(=O)N2CCNC2=O)cc1 ZINC000007686849 170297571 /nfs/dbraw/zinc/29/75/71/170297571.db2.gz HRRZXEVDRBGLBW-UHFFFAOYSA-N 0 0 291.351 1.069 50 0 CDAARN CC(C)NC(=O)NC(=O)CN(C)Cc1ccccc1 ZINC000007785351 170302408 /nfs/dbraw/zinc/30/24/08/170302408.db2.gz LJGMHDKTELUMRP-UHFFFAOYSA-N 0 0 263.341 1.353 50 0 CDAARN CCN(CC(=O)NC(C)C)C(=O)COc1cccc(F)c1 ZINC000007813791 170304177 /nfs/dbraw/zinc/30/41/77/170304177.db2.gz XOFNHXJFWKYNNF-UHFFFAOYSA-N 0 0 296.342 1.578 50 0 CDAARN CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCCO2)cc1 ZINC000007846643 170305217 /nfs/dbraw/zinc/30/52/17/170305217.db2.gz VTINJYAVEYRQQH-CYBMUJFWSA-N 0 0 276.336 1.184 50 0 CDAARN C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCCCC1 ZINC000008119013 170319846 /nfs/dbraw/zinc/31/98/46/170319846.db2.gz NUZRMTQKJDXGHP-VIFPVBQESA-N 0 0 281.381 1.660 50 0 CDAARN CNC(=O)NC(=O)[C@@H](C)Sc1ncnc2ccccc21 ZINC000008189486 170323360 /nfs/dbraw/zinc/32/33/60/170323360.db2.gz RHGLWLLEOYHGCS-MRVPVSSYSA-N 0 0 290.348 1.566 50 0 CDAARN CCNC(=O)CSc1nnc(-c2ccccc2F)n1C ZINC000008327627 170331351 /nfs/dbraw/zinc/33/13/51/170331351.db2.gz UIWKBAMTUCEEDG-UHFFFAOYSA-N 0 0 294.355 1.849 50 0 CDAARN O=C(NC[C@H]1COc2ccccc2O1)c1cccnc1 ZINC000008327112 170331463 /nfs/dbraw/zinc/33/14/63/170331463.db2.gz MMZUHYXUYVMQMI-LBPRGKRZSA-N 0 0 270.288 1.651 50 0 CDAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)OC)c1C ZINC000008341545 170332322 /nfs/dbraw/zinc/33/23/22/170332322.db2.gz FOSSXCGZJNXMNN-UHFFFAOYSA-N 0 0 283.280 1.138 50 0 CDAARN COc1ccc(-n2ccnc2S[C@@H](C)C(N)=O)cc1 ZINC000008389483 170334460 /nfs/dbraw/zinc/33/44/60/170334460.db2.gz ZTXMBVDFMZHRAC-VIFPVBQESA-N 0 0 277.349 1.847 50 0 CDAARN COc1ccccc1-c1nn2c(nnc(C)c2=O)s1 ZINC000008394012 170334802 /nfs/dbraw/zinc/33/48/02/170334802.db2.gz UHDJCFBDVDQMPO-UHFFFAOYSA-N 0 0 274.305 1.530 50 0 CDAARN COc1ccc2ccccc2c1CNc1nn[nH]n1 ZINC000008494363 170338037 /nfs/dbraw/zinc/33/80/37/170338037.db2.gz WVEBDMCMDUARAH-UHFFFAOYSA-N 0 0 255.281 1.974 50 0 CDAARN COCCNC(=O)c1ccc(Cn2cccn2)cc1 ZINC000008747822 170353763 /nfs/dbraw/zinc/35/37/63/170353763.db2.gz DMJOPHRTQWXVFW-UHFFFAOYSA-N 0 0 259.309 1.308 50 0 CDAARN Cc1cccc(C)c1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000009111113 170363747 /nfs/dbraw/zinc/36/37/47/170363747.db2.gz HJINWSAHOZUGTD-WDEREUQCSA-N 0 0 296.417 1.957 50 0 CDAARN Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)nn1C ZINC000009122160 170364233 /nfs/dbraw/zinc/36/42/33/170364233.db2.gz HTNPLYGIANXAQL-UHFFFAOYSA-N 0 0 259.265 1.710 50 0 CDAARN CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)C2CC2)cc1 ZINC000009256275 170369076 /nfs/dbraw/zinc/36/90/76/170369076.db2.gz FHHNJUQUOYPMHC-SECBINFHSA-N 0 0 282.365 1.123 50 0 CDAARN Cc1ccc(S(=O)(=O)NCC(=O)NC(C)C)cc1C ZINC000009315964 170371809 /nfs/dbraw/zinc/37/18/09/170371809.db2.gz BWBMTRGJSDQIRB-UHFFFAOYSA-N 0 0 284.381 1.106 50 0 CDAARN CCOC(=O)c1cnc2nc(-c3ccncc3)nn2c1C ZINC000009340551 170373312 /nfs/dbraw/zinc/37/33/12/170373312.db2.gz COLTUMAUXFSUKI-UHFFFAOYSA-N 0 0 283.291 1.671 50 0 CDAARN COc1ccccc1CCNC(=O)c1ccc2n[nH]nc2c1 ZINC000009477038 170377824 /nfs/dbraw/zinc/37/78/24/170377824.db2.gz QMWPKFZRKFDZSO-UHFFFAOYSA-N 0 0 296.330 1.939 50 0 CDAARN O=C(CSc1nc[nH]n1)Nc1c(F)cccc1F ZINC000009476803 170378020 /nfs/dbraw/zinc/37/80/20/170378020.db2.gz KAFGOZSORHBDQD-UHFFFAOYSA-N 0 0 270.264 1.814 50 0 CDAARN CC(=O)N[C@H](C(=O)NCCc1ccccc1C)C(C)C ZINC000009484087 170378703 /nfs/dbraw/zinc/37/87/03/170378703.db2.gz KBDUTQHURLBKLH-HNNXBMFYSA-N 0 0 276.380 1.814 50 0 CDAARN CC(=O)Nc1cccc(C(=O)NCC(=O)NC(C)(C)C)c1 ZINC000009494754 170378909 /nfs/dbraw/zinc/37/89/09/170378909.db2.gz NFLXPTQRHZAIFG-UHFFFAOYSA-N 0 0 291.351 1.290 50 0 CDAARN O=C(NCc1ccco1)[C@H]1CCN(c2ccccc2)C1=O ZINC000009527642 170380493 /nfs/dbraw/zinc/38/04/93/170380493.db2.gz IZMKTIJTHILTRC-CQSZACIVSA-N 0 0 284.315 1.949 50 0 CDAARN CC(C)(C)NC(=O)NC(=O)CNc1ccc(F)cc1 ZINC000009995533 170393571 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COC(=O)c1ccc(C(=O)NC[C@H]2CC=CCC2)cn1 ZINC000122272561 187024088 /nfs/dbraw/zinc/02/40/88/187024088.db2.gz AJMPNVSMLJYNGK-NSHDSACASA-N 0 0 274.320 1.954 50 0 CDAARN CSc1nnc(/C=C/c2ccc(Cl)cc2)c(=O)n1N ZINC000004127638 363192178 /nfs/dbraw/zinc/19/21/78/363192178.db2.gz SVBPXKLXJWTQDH-QPJJXVBHSA-N 0 0 294.767 1.898 50 0 CDAARN O=C(COc1cccc(F)c1)OCC(=O)N1CCCC1 ZINC000005505839 363192242 /nfs/dbraw/zinc/19/22/42/363192242.db2.gz GLDMYMCCZFLZKQ-UHFFFAOYSA-N 0 0 281.283 1.370 50 0 CDAARN COCCn1nc(C)c2cnn(-c3ccccc3)c2c1=O ZINC000013970505 366102283 /nfs/dbraw/zinc/10/22/83/366102283.db2.gz RGTIUAIATUBOHN-UHFFFAOYSA-N 0 0 284.319 1.537 50 0 CDAARN COC(=O)c1cccc(NC(=O)CCn2ccnn2)c1 ZINC000012863551 363269316 /nfs/dbraw/zinc/26/93/16/363269316.db2.gz RCBBGGNOMMDUGU-UHFFFAOYSA-N 0 0 274.280 1.094 50 0 CDAARN COC(=O)CCNC(=O)/C=C\c1ccc(OC)cc1 ZINC000035352716 291036398 /nfs/dbraw/zinc/03/63/98/291036398.db2.gz RTFJGCRGQHULBO-YVMONPNESA-N 0 0 263.293 1.388 50 0 CDAARN Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccon2)on1 ZINC000265752391 363393912 /nfs/dbraw/zinc/39/39/12/363393912.db2.gz FQMMAQHCJKZSII-VIFPVBQESA-N 0 0 264.285 1.430 50 0 CDAARN O=C(NCc1ccncc1)c1cccnc1O[C@@H]1CCOC1 ZINC000239846308 363394415 /nfs/dbraw/zinc/39/44/15/363394415.db2.gz LBKWBQHSOVATRP-CYBMUJFWSA-N 0 0 299.330 1.574 50 0 CDAARN CCOC(=O)CN(C(=O)/C=C/c1cnn(C)c1)C(C)C ZINC000038012831 363428775 /nfs/dbraw/zinc/42/87/75/363428775.db2.gz CFPNUXMYVZZXAN-VOTSOKGWSA-N 0 0 279.340 1.233 50 0 CDAARN C[C@@H]1NC(=O)/C(=C\c2ccccc2Cl)NC1=O ZINC000004811860 358491696 /nfs/dbraw/zinc/49/16/96/358491696.db2.gz MICTYNWYKSEEBB-FSEMZKDTSA-N 0 0 250.685 1.315 50 0 CDAARN CC(C)(C)NC(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000000310025 355903471 /nfs/dbraw/zinc/90/34/71/355903471.db2.gz HAUIPJSLRHXBRV-UHFFFAOYSA-N 0 0 288.347 1.978 50 0 CDAARN COC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O ZINC000000308145 355903686 /nfs/dbraw/zinc/90/36/86/355903686.db2.gz VHNZFXKDCIJJSH-UHFFFAOYSA-N 0 0 262.261 1.831 50 0 biogenic CDAARN 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355880352 /nfs/dbraw/zinc/88/03/52/355880352.db2.gz PLXVOXIPCIVKND-UHFFFAOYSA-N 0 0 263.322 1.478 50 0 CDAARN CCC[C@H](C)C(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000000030904 355880590 /nfs/dbraw/zinc/88/05/90/355880590.db2.gz SRDIUQZKAHGSGB-JTQLQIEISA-N 0 0 284.381 1.386 50 0 CDAARN CC(C)(C)C(=O)CON1C(=O)c2ccccc2C1=O ZINC000000051520 355882427 /nfs/dbraw/zinc/88/24/27/355882427.db2.gz KVJZKVCHNVZXEF-UHFFFAOYSA-N 0 0 261.277 1.829 50 0 CDAARN O=C1NCCC[C@@H]1C1N=NC(=S)N1Cc1ccccc1 ZINC000000066952 355883461 /nfs/dbraw/zinc/88/34/61/355883461.db2.gz YRUUNGGUALOBJO-LLVKDONJSA-N 0 0 288.376 1.609 50 0 CDAARN CC(=O)NC1=NN(C(C)=O)[C@@](C)(c2ccccn2)S1 ZINC000000089920 355885442 /nfs/dbraw/zinc/88/54/42/355885442.db2.gz JALMEGPCCCJTTG-GFCCVEGCSA-N 0 0 278.337 1.257 50 0 CDAARN CCOC(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000000098298 355885853 /nfs/dbraw/zinc/88/58/53/355885853.db2.gz GCIKYDREPOYNKR-UHFFFAOYSA-N 0 0 252.295 1.480 50 0 CDAARN Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1N ZINC000000140578 355890731 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356918258 /nfs/dbraw/zinc/91/82/58/356918258.db2.gz NFNJUMLGNKLWFJ-DGCLKSJQSA-N 0 0 277.368 1.599 50 0 CDAARN CC(C)(C)OC(=O)N1CCC(COCCO)CC1 ZINC000079390491 356988473 /nfs/dbraw/zinc/98/84/73/356988473.db2.gz CJERADZJMWHFHH-UHFFFAOYSA-N 0 0 259.346 1.642 50 0 CDAARN CCOc1ccc(C)cc1S(=O)(=O)N[C@H](CC)CO ZINC000041096349 357022502 /nfs/dbraw/zinc/02/25/02/357022502.db2.gz JUZFYJKTHXTTHX-LLVKDONJSA-N 0 0 287.381 1.443 50 0 CDAARN Cn1c(C(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccccc21 ZINC000048674653 357023228 /nfs/dbraw/zinc/02/32/28/357023228.db2.gz PRNSQNCJCMRQTO-NSHDSACASA-N 0 0 292.360 1.095 50 0 CDAARN CCCNC(=O)c1nc[nH]c1C(=O)NCc1ccccc1 ZINC000033003803 357051910 /nfs/dbraw/zinc/05/19/10/357051910.db2.gz IUXFTZFBDMMUQC-UHFFFAOYSA-N 0 0 286.335 1.480 50 0 CDAARN O=C(CCn1cccn1)NC[C@H]1COc2ccccc2C1 ZINC000042724617 357077834 /nfs/dbraw/zinc/07/78/34/357077834.db2.gz YQDRCGDGRXVTJK-ZDUSSCGKSA-N 0 0 285.347 1.641 50 0 CDAARN C[C@@H]1C[C@@H]1NC(=O)NCCCNC(=O)C1CCC1 ZINC000095407492 357213877 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/nfs/dbraw/zinc/52/75/44/357527544.db2.gz VSRWSMGGTNDVMV-UHFFFAOYSA-N 0 0 285.275 1.751 50 0 CDAARN CCCOc1cccc(C(=O)N2CCN(C)CC2)c1 ZINC000016604659 357529750 /nfs/dbraw/zinc/52/97/50/357529750.db2.gz OYNOXEZSOMPBPM-UHFFFAOYSA-N 0 0 262.353 1.863 50 0 CDAARN CCCc1nc(C)cc(NCCN2CCOCC2)n1 ZINC000065369903 357531868 /nfs/dbraw/zinc/53/18/68/357531868.db2.gz GJWONJRMXLOBGI-UHFFFAOYSA-N 0 0 264.373 1.482 50 0 CDAARN CNc1ccnc(N(C)CCC[C@H]2CCCO2)n1 ZINC000065374752 357533341 /nfs/dbraw/zinc/53/33/41/357533341.db2.gz YMIXLMUMUMAJOS-NSHDSACASA-N 0 0 250.346 1.914 50 0 CDAARN CCN(C)c1ccnc(N(C)Cc2cccnc2)n1 ZINC000065395737 357537046 /nfs/dbraw/zinc/53/70/46/357537046.db2.gz IKBCKGWGAJJMLJ-UHFFFAOYSA-N 0 0 257.341 1.964 50 0 CDAARN O=C([O-])[C@H]1C[C@@H](O)CC[N@@H+]1CCCc1ccccc1 ZINC000065420685 357540444 /nfs/dbraw/zinc/54/04/44/357540444.db2.gz KYCXHONMJYRTCT-UONOGXRCSA-N 0 0 263.337 1.529 50 0 CDAARN Cc1ncsc1CCC(=O)N[C@@H](C)Cc1cnccn1 ZINC000065507546 357545843 /nfs/dbraw/zinc/54/58/43/357545843.db2.gz OXJDTMYWRGMPTM-JTQLQIEISA-N 0 0 290.392 1.922 50 0 CDAARN O=c1c(I)c[nH]c2c1OCCO2 ZINC000066054278 357554311 /nfs/dbraw/zinc/55/43/11/357554311.db2.gz XDMBVVQYAZAKHH-UHFFFAOYSA-N 0 0 279.033 1.163 50 0 CDAARN CCC[C@H]1COCCN1Cc1cnc(OC)nc1 ZINC000067447326 357609416 /nfs/dbraw/zinc/60/94/16/357609416.db2.gz PEZDLSMPPBMORF-LBPRGKRZSA-N 0 0 251.330 1.486 50 0 CDAARN CC(C)c1nccn1CCCNC(=O)c1cnccn1 ZINC000067676432 357617949 /nfs/dbraw/zinc/61/79/49/357617949.db2.gz UUIQGEOBOCCYLP-UHFFFAOYSA-N 0 0 273.340 1.617 50 0 CDAARN CCO[C@H]1COC[C@@H]1NC(=O)c1c(C)nc2sccn21 ZINC000067674338 357617991 /nfs/dbraw/zinc/61/79/91/357617991.db2.gz JGZNHVNWIOGBKH-UWVGGRQHSA-N 0 0 295.364 1.238 50 0 CDAARN Cc1cccnc1[C@H](C)NC(=O)CCN1CCCO1 ZINC000067820430 357630524 /nfs/dbraw/zinc/63/05/24/357630524.db2.gz MAECKHOTKLAMOC-LBPRGKRZSA-N 0 0 263.341 1.595 50 0 CDAARN Cc1n[nH]c(C)c1[C@H](N)C(=O)NCCc1ccccc1F ZINC000067955068 357639811 /nfs/dbraw/zinc/63/98/11/357639811.db2.gz YUCGWTJNBKCJTG-AWEZNQCLSA-N 0 0 290.342 1.524 50 0 CDAARN CCCn1cnnc1CNC1CSCCSC1 ZINC000067974143 357641240 /nfs/dbraw/zinc/64/12/40/357641240.db2.gz AFQXWDUPGLKMAF-UHFFFAOYSA-N 0 0 272.443 1.626 50 0 CDAARN O=C(c1cnn(-c2ccccc2)n1)N1CCCCC1 ZINC000017320360 357701318 /nfs/dbraw/zinc/70/13/18/357701318.db2.gz RTYRUXUJCYVREZ-UHFFFAOYSA-N 0 0 256.309 1.893 50 0 CDAARN O=C(Cc1cncs1)N1CCO[C@@H](c2nccs2)C1 ZINC000187854594 357815074 /nfs/dbraw/zinc/81/50/74/357815074.db2.gz JVHIQFLFVGBZKV-SNVBAGLBSA-N 0 0 295.389 1.742 50 0 CDAARN CCCN1C[C@H](NC(=O)c2ccnc(C(C)C)n2)CC1=O ZINC000071762124 357779151 /nfs/dbraw/zinc/77/91/51/357779151.db2.gz VWTHJYZGXVJWEH-LLVKDONJSA-N 0 0 290.367 1.341 50 0 CDAARN COCc1cc(NCc2ccncc2)n2nccc2n1 ZINC000072427230 357834979 /nfs/dbraw/zinc/83/49/79/357834979.db2.gz PBQIVHQBNZVDLV-UHFFFAOYSA-N 0 0 269.308 1.883 50 0 CDAARN Clc1ccc(N2CCN(Cc3ncc[nH]3)CC2)nc1 ZINC000072447531 357835783 /nfs/dbraw/zinc/83/57/83/357835783.db2.gz JOJSSDQNJVRULS-UHFFFAOYSA-N 0 0 277.759 1.780 50 0 CDAARN CCCO[C@H]1CCCN(C(=O)CSc2n[nH]c(C)n2)C1 ZINC000073102043 357865942 /nfs/dbraw/zinc/86/59/42/357865942.db2.gz KVYKLASZZGCCPL-NSHDSACASA-N 0 0 298.412 1.623 50 0 CDAARN C/C=C/C=C\C(=O)NCc1cccnc1N1CCOCC1 ZINC000097015859 357915049 /nfs/dbraw/zinc/91/50/49/357915049.db2.gz IYIVHSNKKNNGKZ-SWBALALESA-N 0 0 287.363 1.667 50 0 CDAARN O=C(NC[C@@H]1CCCO1)Nc1nc2ccccn2n1 ZINC000097079879 357944106 /nfs/dbraw/zinc/94/41/06/357944106.db2.gz NLOXQVUYHZNKJT-VIFPVBQESA-N 0 0 261.285 1.030 50 0 CDAARN Cc1ncc(Cn2c(C)nn(C(C)(C)C)c2=O)s1 ZINC000097085531 357948813 /nfs/dbraw/zinc/94/88/13/357948813.db2.gz AOBZHWKBDRRQQL-UHFFFAOYSA-N 0 0 266.370 1.921 50 0 CDAARN C[C@H](OC(=O)c1cnccn1)C(=O)c1ccccc1 ZINC000023078609 358012711 /nfs/dbraw/zinc/01/27/11/358012711.db2.gz JHZNNNKBNCYECR-JTQLQIEISA-N 0 0 256.261 1.905 50 0 CDAARN CN(Cc1cccs1)c1ncnc2c1cnn2CCO ZINC000097200114 358030969 /nfs/dbraw/zinc/03/09/69/358030969.db2.gz YMLCAXSCGAAGDS-UHFFFAOYSA-N 0 0 289.364 1.517 50 0 CDAARN COC(=O)C1(C)CN(C(=O)OCc2ccccc2)C1 ZINC000079064849 358059529 /nfs/dbraw/zinc/05/95/29/358059529.db2.gz CWEGURJYRSTPQC-UHFFFAOYSA-N 0 0 263.293 1.818 50 0 CDAARN C[C@@H](C(=O)N(C)CCC(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000299751885 358082698 /nfs/dbraw/zinc/08/26/98/358082698.db2.gz SDIRYMDGHJFXTG-LBPRGKRZSA-N 0 0 290.363 1.366 50 0 CDAARN COCc1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)o1 ZINC000098019263 358090274 /nfs/dbraw/zinc/09/02/74/358090274.db2.gz KFKOICQZHREJPU-NWDGAFQWSA-N 0 0 292.335 1.309 50 0 CDAARN CCOC(=O)Cc1c(F)cnc2ccc(OC)nc21 ZINC000082046907 358145451 /nfs/dbraw/zinc/14/54/51/358145451.db2.gz LTZKURSSIZAWLB-UHFFFAOYSA-N 0 0 264.256 1.883 50 0 CDAARN COCc1cc(CNC(=O)c2cc(C(C)C)nn2C)[nH]n1 ZINC000082097864 358147109 /nfs/dbraw/zinc/14/71/09/358147109.db2.gz WLPWSRBXPBJGMZ-UHFFFAOYSA-N 0 0 291.355 1.343 50 0 CDAARN O=C1CC[C@@]2(CCCN(c3ccccn3)C2)CN1CCO ZINC000082121068 358148166 /nfs/dbraw/zinc/14/81/66/358148166.db2.gz OCIWYLRAHDZEBN-MRXNPFEDSA-N 0 0 289.379 1.283 50 0 CDAARN CCc1nnc2n1C[C@@H](Nc1nccc(OC)n1)CC2 ZINC000097199293 358187497 /nfs/dbraw/zinc/18/74/97/358187497.db2.gz BYTUWSKZFXPXGM-VIFPVBQESA-N 0 0 274.328 1.066 50 0 CDAARN O=C(Nc1cnns1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000192330659 358189903 /nfs/dbraw/zinc/18/99/03/358189903.db2.gz YOQNZIMGDITMRM-MRVPVSSYSA-N 0 0 278.341 1.673 50 0 CDAARN CCCNC(=O)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000024377845 283368208 /nfs/dbraw/zinc/36/82/08/283368208.db2.gz YTUJOMLQPOHMBX-QWRGUYRKSA-N 0 0 295.383 1.259 50 0 CDAARN O=C([C@H](O)c1ccccc1)N(CCO)Cc1ccsc1 ZINC000095441453 358387677 /nfs/dbraw/zinc/38/76/77/358387677.db2.gz KPEVSDFUIWOPRI-CQSZACIVSA-N 0 0 291.372 1.803 50 0 CDAARN Cc1ncsc1C(=O)N1CCOC[C@@]12CCOC2 ZINC000194423309 358516911 /nfs/dbraw/zinc/51/69/11/358516911.db2.gz FSLQTRGSDFIFHR-LBPRGKRZSA-N 0 0 268.338 1.083 50 0 CDAARN CCOC(=O)[C@@H](C)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000195518371 535427753 /nfs/dbraw/zinc/42/77/53/535427753.db2.gz ONZDWZUWZUOBGN-ZYHUDNBSSA-N 0 0 281.356 1.584 50 0 CDAARN COC[C@H](O)CN(C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000195530852 358559201 /nfs/dbraw/zinc/55/92/01/358559201.db2.gz UDDJQEPDSYTOJB-NWDGAFQWSA-N 0 0 298.358 1.400 50 0 CDAARN COCC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000003422547 358537235 /nfs/dbraw/zinc/53/72/35/358537235.db2.gz XCCOLYPZFSGGAJ-UHFFFAOYSA-N 0 0 284.743 1.762 50 0 CDAARN C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCOCC1 ZINC000027974284 358659718 /nfs/dbraw/zinc/65/97/18/358659718.db2.gz GNJNDQJSMQDHIL-JTQLQIEISA-N 0 0 279.292 1.041 50 0 CDAARN CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095356326 358684065 /nfs/dbraw/zinc/68/40/65/358684065.db2.gz DWGBGPSJEIGNKK-AWEZNQCLSA-N 0 0 290.363 1.700 50 0 CDAARN CSCCc1nc(CCc2cccnc2)n(C)n1 ZINC000095367262 358686754 /nfs/dbraw/zinc/68/67/54/358686754.db2.gz SEJWQSRAZMUKQY-UHFFFAOYSA-N 0 0 262.382 1.901 50 0 CDAARN CN(C)C(=O)c1ccc(Cn2ncc3ccccc3c2=O)o1 ZINC000095370584 358687728 /nfs/dbraw/zinc/68/77/28/358687728.db2.gz BVOQHWJUPOOVQJ-UHFFFAOYSA-N 0 0 297.314 1.740 50 0 CDAARN CCc1ncc(C(=O)N(C)Cc2cnc3ccccn23)cn1 ZINC000095371412 358687832 /nfs/dbraw/zinc/68/78/32/358687832.db2.gz YLQVOMDFLRXQLJ-UHFFFAOYSA-N 0 0 295.346 1.959 50 0 CDAARN CN(C)c1nc(N(C)Cc2cnn(C)c2)ncc1F ZINC000095386730 358691090 /nfs/dbraw/zinc/69/10/90/358691090.db2.gz AJMULRGFLIPQDJ-UHFFFAOYSA-N 0 0 264.308 1.052 50 0 CDAARN O=S1(=O)CC[C@H](CNc2nnc(C3CCC3)o2)C1 ZINC000095388931 358692366 /nfs/dbraw/zinc/69/23/66/358692366.db2.gz NDWIVOBULWDMBK-MRVPVSSYSA-N 0 0 271.342 1.184 50 0 CDAARN O=C(Nc1ccc2snnc2c1)N1CCOCC1 ZINC000000095053 358705573 /nfs/dbraw/zinc/70/55/73/358705573.db2.gz ICFKAJPPVVHASJ-UHFFFAOYSA-N 0 0 264.310 1.555 50 0 CDAARN Cc1ccc(-c2noc(-c3n[nH]c4c3C[N@H+](C)CC4)n2)nn1 ZINC000095498481 358695175 /nfs/dbraw/zinc/69/51/75/358695175.db2.gz QTXBXDYPMJODGI-UHFFFAOYSA-N 0 0 297.322 1.213 50 0 CDAARN CSCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(CO)C1 ZINC000095511497 358696409 /nfs/dbraw/zinc/69/64/09/358696409.db2.gz ZPKSUZSSKUVTJU-IUODEOHRSA-N 0 0 293.388 1.347 50 0 CDAARN Cn1nc(I)c2cc(N)cnc21 ZINC000095708162 358699853 /nfs/dbraw/zinc/69/98/53/358699853.db2.gz VFHDTXLRRMAKIV-UHFFFAOYSA-N 0 0 274.065 1.155 50 0 CDAARN O=C(C[C@H]1C=CCC1)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000097107586 358751098 /nfs/dbraw/zinc/75/10/98/358751098.db2.gz HQKSLYWVIWRLME-JTQLQIEISA-N 0 0 271.320 1.829 50 0 CDAARN Cc1nnc2n1[C@H](C)CN(C(=O)Cc1cncs1)C2 ZINC000096151591 358709266 /nfs/dbraw/zinc/70/92/66/358709266.db2.gz OPKIVEJWQBBSFD-MRVPVSSYSA-N 0 0 277.353 1.189 50 0 CDAARN C[C@@]1(O)CCN(C(=O)c2cc(Cl)ccc2F)C[C@@H]1O ZINC000096162161 358710937 /nfs/dbraw/zinc/71/09/37/358710937.db2.gz QHRLGOOZKBKEBM-WCQYABFASA-N 0 0 287.718 1.437 50 0 CDAARN O=C1CCCCN1Cc1nc([C@@H]2CCOC2)no1 ZINC000096162434 358711104 /nfs/dbraw/zinc/71/11/04/358711104.db2.gz UULOQUHOHLGTFP-SECBINFHSA-N 0 0 251.286 1.086 50 0 CDAARN C[C@H]1CCc2[nH]nc(C(=O)N3CCc4[nH]cnc4C3)c2C1 ZINC000096162817 358711794 /nfs/dbraw/zinc/71/17/94/358711794.db2.gz YEOYKBRZMFHMNM-VIFPVBQESA-N 0 0 285.351 1.456 50 0 CDAARN Cc1nn(CC(N)=O)c(C)c1-c1cnn(CCC(C)C)c1 ZINC000096166605 358713228 /nfs/dbraw/zinc/71/32/28/358713228.db2.gz NRFVWDZOTWCTPN-UHFFFAOYSA-N 0 0 289.383 1.895 50 0 CDAARN CCOc1c(=O)c(=O)c1NCc1ccccc1Cl ZINC000100061637 358819899 /nfs/dbraw/zinc/81/98/99/358819899.db2.gz KJBJFEYZAULBOY-UHFFFAOYSA-N 0 0 265.696 1.947 50 0 CDAARN OCCCNc1ncnc2c1Cc1ccccc1OC2 ZINC000097528968 358782636 /nfs/dbraw/zinc/78/26/36/358782636.db2.gz METWCALFTSVUBC-UHFFFAOYSA-N 0 0 271.320 1.754 50 0 CDAARN O=C(N[C@@H]1CCCCNC1=O)c1cccc(-c2ncc[nH]2)c1 ZINC000097546560 358784482 /nfs/dbraw/zinc/78/44/82/358784482.db2.gz LTUVPFNMVXBVDT-CYBMUJFWSA-N 0 0 298.346 1.475 50 0 CDAARN O=C(c1c[nH]c(=O)c2ccccc12)N1CCCC[C@H]1CO ZINC000097572102 358785834 /nfs/dbraw/zinc/78/58/34/358785834.db2.gz LNXDOMYXDRUVLD-NSHDSACASA-N 0 0 286.331 1.515 50 0 CDAARN Cc1cnc(CNC(=O)CCc2[nH]nc3c2CCCC3)cn1 ZINC000097638035 358789280 /nfs/dbraw/zinc/78/92/80/358789280.db2.gz NTXASMUFQBNOSB-UHFFFAOYSA-N 0 0 299.378 1.636 50 0 CDAARN 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170245738 /nfs/dbraw/zinc/24/57/38/170245738.db2.gz CTWGYGZEHNWBTD-RISCZKNCSA-N 0 0 281.352 1.962 50 0 CDAARN O=C1C(=Cc2cccnc2)NC(=S)N1C[C@@H]1CCCO1 ZINC000006829163 170247504 /nfs/dbraw/zinc/24/75/04/170247504.db2.gz NEFHVRBYQKUJDK-ZWIPKHHJSA-N 0 0 289.360 1.318 50 0 CDAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccco1 ZINC000006843454 170248261 /nfs/dbraw/zinc/24/82/61/170248261.db2.gz NLOIYSXIGNVYER-NSHDSACASA-N 0 0 264.281 1.813 50 0 CDAARN Cc1nc2ccc(C(=O)O[C@H](C)C(N)=O)cc2nc1C ZINC000006848519 170248695 /nfs/dbraw/zinc/24/86/95/170248695.db2.gz NGHXUTMQYJDPNU-SECBINFHSA-N 0 0 273.292 1.277 50 0 CDAARN COCCNC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000006872546 170251854 /nfs/dbraw/zinc/25/18/54/170251854.db2.gz QAIWILRRRPJWLL-UHFFFAOYSA-N 0 0 264.256 1.857 50 0 CDAARN O=c1c2ccccc2nnn1CSc1ncccn1 ZINC000006913803 170254907 /nfs/dbraw/zinc/25/49/07/170254907.db2.gz QLJRGIINLSMEDT-UHFFFAOYSA-N 0 0 271.305 1.331 50 0 CDAARN COCCNc1nc2ccc(C)cc2n2nnnc12 ZINC000006941606 170257690 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/nfs/dbraw/zinc/05/56/05/822055605.db2.gz JNJWIDCFFOFKGY-UHFFFAOYSA-N 0 0 271.280 1.267 50 0 CDAARN C/C=C/C=C\C(=O)OCC(=O)NCc1ccccc1OC ZINC000097655722 822224752 /nfs/dbraw/zinc/22/47/52/822224752.db2.gz UWFCCQXDPADXML-STMOGGTPSA-N 0 0 289.331 1.987 50 0 CDAARN Cc1ccccc1[C@@]1(O)CCN(C(=O)c2nccn2C)C1 ZINC000952986987 822275361 /nfs/dbraw/zinc/27/53/61/822275361.db2.gz DAMKJRRXICGQSC-MRXNPFEDSA-N 0 0 285.347 1.462 50 0 CDAARN Cc1nn(C)c(C)c1C(=O)NCC1(OCCO)CCCC1 ZINC000888106997 896352790 /nfs/dbraw/zinc/35/27/90/896352790.db2.gz IDAJIHFNMHJEEG-UHFFFAOYSA-N 0 0 295.383 1.088 50 0 CDAARN O=C(c1cc[nH]c1)N1CCCN(C(=O)c2ccco2)CC1 ZINC000075034989 896769210 /nfs/dbraw/zinc/76/92/10/896769210.db2.gz GUTKKMKWKMCMOW-UHFFFAOYSA-N 0 0 287.319 1.596 50 0 CDAARN Cn1nccc1C(=O)NC[C@H]1CCc2ccccc2O1 ZINC000020599768 899255258 /nfs/dbraw/zinc/25/52/58/899255258.db2.gz BDRXJKSDWKVPBB-GFCCVEGCSA-N 0 0 271.320 1.544 50 0 CDAARN COC1(CNC(=O)c2ccc3n[nH]nc3c2)CCC1 ZINC000180633077 899500701 /nfs/dbraw/zinc/50/07/01/899500701.db2.gz PZJUSKYAEXHKSR-UHFFFAOYSA-N 0 0 260.297 1.257 50 0 CDAARN COc1ccc(C(=O)N2C[C@@H]3[C@H](O)CC[C@@H]3C2)cc1F ZINC000675010517 899864294 /nfs/dbraw/zinc/86/42/94/899864294.db2.gz HIAFLMCGICBICV-NTZNESFSSA-N 0 0 279.311 1.677 50 0 CDAARN Cc1nc(CC[C@@H]2CCN(C(=O)c3cnccn3)C2)no1 ZINC000675023685 899879202 /nfs/dbraw/zinc/87/92/02/899879202.db2.gz HFNPXIDPWVNQBS-LLVKDONJSA-N 0 0 287.323 1.263 50 0 CDAARN CN(Cc1cccc2cccnc21)C(=O)c1c[nH]c(=O)[nH]1 ZINC001189542409 921532313 /nfs/dbraw/zinc/53/23/13/921532313.db2.gz JKHVGSSGKLEMGE-UHFFFAOYSA-N 0 0 282.303 1.936 50 0 CDAARN Cc1cnc(NC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)cn1 ZINC000952879662 910437380 /nfs/dbraw/zinc/43/73/80/910437380.db2.gz KIJQPILLDLLJLI-SMDDNHRTSA-N 0 0 292.339 1.197 50 0 CDAARN O=C(NCC1(Br)CC1)Nc1ccncc1 ZINC000952884213 910459892 /nfs/dbraw/zinc/45/98/92/910459892.db2.gz WBSMGXBKKAFJJS-UHFFFAOYSA-N 0 0 270.130 1.553 50 0 CDAARN Cc1nn(C)cc1C(=O)Nc1ccc2[nH]c([C@H](C)O)nc2c1 ZINC000952974563 910520163 /nfs/dbraw/zinc/52/01/63/910520163.db2.gz JRJXHSFMUGWIFZ-VIFPVBQESA-N 0 0 299.334 1.910 50 0 CDAARN CCc1nc(C)c(CN(C)CCN2CCOCC2)[nH]1 ZINC001203235734 922006540 /nfs/dbraw/zinc/00/65/40/922006540.db2.gz YHLAITUMJCPSJL-UHFFFAOYSA-N 0 0 266.389 1.045 50 0 CDAARN CCCCn1nc(CC(N)=O)nc1-c1scnc1C ZINC000822888657 925654788 /nfs/dbraw/zinc/65/47/88/925654788.db2.gz CJUCNMVUTVAIIZ-UHFFFAOYSA-N 0 0 279.369 1.538 50 0 CDAARN CCc1cnc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)o1 ZINC000823541060 925701834 /nfs/dbraw/zinc/70/18/34/925701834.db2.gz RNRRJCUSEWCDBH-SNVBAGLBSA-N 0 0 279.340 1.680 50 0 CDAARN COCc1nc([C@H]2CCOC2)n(CC(F)(F)F)n1 ZINC000824490572 925827324 /nfs/dbraw/zinc/82/73/24/925827324.db2.gz MBUVIFGSUZOXHI-ZETCQYMHSA-N 0 0 265.235 1.491 50 0 CDAARN COc1ncc(CN(C)Cc2nncn2C(C)C)cn1 ZINC000824851784 925840062 /nfs/dbraw/zinc/84/00/62/925840062.db2.gz GVGYMYBCLXXACP-UHFFFAOYSA-N 0 0 276.344 1.290 50 0 CDAARN COc1nc(NCCc2nc(C3CC3)no2)ncc1F ZINC000824845775 925840516 /nfs/dbraw/zinc/84/05/16/925840516.db2.gz JJJMTWHZUHHHSE-UHFFFAOYSA-N 0 0 279.275 1.539 50 0 CDAARN Cc1cc(CNC(=O)[C@H](C)Cn2cncn2)ccc1F ZINC000827627971 925951524 /nfs/dbraw/zinc/95/15/24/925951524.db2.gz CTBNRRQDLUPQQN-LLVKDONJSA-N 0 0 276.315 1.678 50 0 CDAARN C[C@@H](NC(=O)Cc1nc2ccccc2o1)c1nncn1C ZINC000827999844 926015888 /nfs/dbraw/zinc/01/58/88/926015888.db2.gz XEQXMZMWVDUIRL-SECBINFHSA-N 0 0 285.307 1.376 50 0 CDAARN Nc1nc(CNC(=O)CCc2ccncc2)cs1 ZINC000828029640 926025141 /nfs/dbraw/zinc/02/51/41/926025141.db2.gz HXZYGUZRPVMLSQ-UHFFFAOYSA-N 0 0 262.338 1.369 50 0 CDAARN O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cc[nH]c1 ZINC000828147354 926057297 /nfs/dbraw/zinc/05/72/97/926057297.db2.gz UVLBWVLQVYOHFQ-GFCCVEGCSA-N 0 0 287.319 1.642 50 0 CDAARN O=C1C[C@@H](c2ncnn2-c2cccnc2)CN1C1CCCC1 ZINC000828248333 926082396 /nfs/dbraw/zinc/08/23/96/926082396.db2.gz ZDHNVABNTGNWRO-GFCCVEGCSA-N 0 0 297.362 1.921 50 0 CDAARN O=C(CC1CCCCC1)N1CC[C@H](c2noc(CO)n2)C1 ZINC000581795759 927203274 /nfs/dbraw/zinc/20/32/74/927203274.db2.gz TYSFVPFKUKDLBU-LBPRGKRZSA-N 0 0 293.367 1.848 50 0 CDAARN CCNC(=O)N1CCC[C@H](Cn2c(C)cnc2COC)C1 ZINC000581808174 927207713 /nfs/dbraw/zinc/20/77/13/927207713.db2.gz REXADVBUYAYCKK-ZDUSSCGKSA-N 0 0 294.399 1.779 50 0 CDAARN COCCNC(=O)N1CC[C@@H](c2ccsc2)C1 ZINC000670013028 937152975 /nfs/dbraw/zinc/15/29/75/937152975.db2.gz OHGWCPZZUWCJSK-SNVBAGLBSA-N 0 0 254.355 1.893 50 0 CDAARN Cc1nc2ncnn2c(NC[C@@H](O)c2cccnc2)c1C ZINC000584908167 930678103 /nfs/dbraw/zinc/67/81/03/930678103.db2.gz ZIEILPRYUBUMOX-GFCCVEGCSA-N 0 0 284.323 1.282 50 0 CDAARN Cc1nccn1-c1ccc(NCCCOC(C)C)nn1 ZINC000585092980 930924119 /nfs/dbraw/zinc/92/41/19/930924119.db2.gz XCZDZNTZZRBUJU-UHFFFAOYSA-N 0 0 275.356 1.620 50 0 CDAARN CC[S@@](C)(=O)=NS(=O)(=O)Oc1ccc(OC)cc1 ZINC000585115224 930961032 /nfs/dbraw/zinc/96/10/32/930961032.db2.gz ROLCGABNARGGMK-QGZVFWFLSA-N 0 0 293.366 1.437 50 0 CDAARN COc1ccncc1S(=O)(=O)N1CCCC1(C)C ZINC000585115325 930964366 /nfs/dbraw/zinc/96/43/66/930964366.db2.gz WQLDYBLANHEMRJ-UHFFFAOYSA-N 0 0 270.354 1.653 50 0 CDAARN O=C(C[C@@H]1CCCOC1)N1CCOc2ccncc21 ZINC000193458962 932875115 /nfs/dbraw/zinc/87/51/15/932875115.db2.gz VZYPNHDIGQPAPV-NSHDSACASA-N 0 0 262.309 1.624 50 0 CDAARN Cc1nc[nH]c1CSCCn1c(C)cc(O)cc1=O ZINC001547200847 967459855 /nfs/dbraw/zinc/45/98/55/967459855.db2.gz KUQCXKXKSLKQPJ-UHFFFAOYSA-N 0 0 279.365 1.827 50 0 CDAARN C[C@H](CCN(C)c1nc(C(=O)[O-])co1)[NH+]1CCCC1 ZINC001529105479 968980671 /nfs/dbraw/zinc/98/06/71/968980671.db2.gz CCYCVMDZEVASTI-SNVBAGLBSA-N 0 0 267.329 1.683 50 0 CDAARN CNC(=O)c1cccnc1N[C@H](c1nccn1C)C(C)C ZINC001529158468 968997675 /nfs/dbraw/zinc/99/76/75/968997675.db2.gz CXWNTCASQPLMIG-LBPRGKRZSA-N 0 0 287.367 1.984 50 0 CDAARN CC[C@H](C(=O)N(C)C)N(CCO)Cc1ccc(F)cc1 ZINC001529166872 969000648 /nfs/dbraw/zinc/00/06/48/969000648.db2.gz BPGOJLJWHMNGIG-CQSZACIVSA-N 0 0 282.359 1.487 50 0 CDAARN CCn1ncc(C)c1NC(=O)[C@H]1CCCCN1C(C)=O ZINC001529181299 969004165 /nfs/dbraw/zinc/00/41/65/969004165.db2.gz RAQIRBIUMJAPGX-GFCCVEGCSA-N 0 0 278.356 1.551 50 0 CDAARN C[N@H+](CC[C@H]1CCCCO1)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC001529191335 969009293 /nfs/dbraw/zinc/00/92/93/969009293.db2.gz WWODUDBCGYNDIY-LLVKDONJSA-N 0 0 267.329 1.279 50 0 CDAARN Cc1nnc(SCC(=O)NCCCc2ccco2)o1 ZINC001506408864 975153433 /nfs/dbraw/zinc/15/34/33/975153433.db2.gz YFKFGQWEIBBMSN-UHFFFAOYSA-N 0 0 281.337 1.812 50 0 CDAARN CNC(=O)C[C@@H]1CCN(c2ccc(Cl)cn2)C1 ZINC001506413626 975153926 /nfs/dbraw/zinc/15/39/26/975153926.db2.gz JUOURAWSYRGUKJ-VIFPVBQESA-N 0 0 253.733 1.697 50 0 CDAARN COCCn1cncc1CN(C)C1(COC)CC1 ZINC001506417313 975156088 /nfs/dbraw/zinc/15/60/88/975156088.db2.gz PKWQRERFKNRVNI-UHFFFAOYSA-N 0 0 253.346 1.140 50 0 CDAARN CSCCC(=O)N(Cc1cnn(C)c1)C(C)C ZINC001506417814 975156747 /nfs/dbraw/zinc/15/67/47/975156747.db2.gz BTQHDEXRBFXCGT-UHFFFAOYSA-N 0 0 255.387 1.910 50 0 CDAARN C[C@@H]1C(=O)N(C)CCN1C(=O)Cc1nc2ccccc2o1 ZINC001506420921 975158584 /nfs/dbraw/zinc/15/85/84/975158584.db2.gz MLGXQZDZIPSUKC-SNVBAGLBSA-N 0 0 287.319 1.059 50 0 CDAARN Cc1cc(C(C)(C)C)cc(S(=O)(=O)N2CC(O)C2)c1C ZINC001506427056 975160556 /nfs/dbraw/zinc/16/05/56/975160556.db2.gz KESZRAVUMBTPCJ-UHFFFAOYSA-N 0 0 297.420 1.966 50 0 CDAARN CCN(Cc1cnn(CC)c1)C(=O)c1cc(C)[nH]c(=O)c1 ZINC001506427629 975160736 /nfs/dbraw/zinc/16/07/36/975160736.db2.gz YBXAULVAIABDLV-UHFFFAOYSA-N 0 0 288.351 1.974 50 0 CDAARN C[S@@](=O)C[C@@H](NC(=O)c1ccn[nH]1)c1ccccc1 ZINC000096445412 230374451 /nfs/dbraw/zinc/37/44/51/230374451.db2.gz WHTWAYPHYQPKPN-BLVKFPJESA-N 0 0 277.349 1.259 50 0 CDAARN CC(C)c1cc(C(=O)N2CCCC[C@@H]2CO)n(C)n1 ZINC000082120830 177922196 /nfs/dbraw/zinc/92/21/96/177922196.db2.gz INWPCJQMMBYLFE-LLVKDONJSA-N 0 0 265.357 1.531 50 0 CDAARN Cc1cc(F)cc(C(=O)NC[C@@]2(O)CCOC2)c1 ZINC000096484672 230381116 /nfs/dbraw/zinc/38/11/16/230381116.db2.gz BCFOBLYMBCPMMT-ZDUSSCGKSA-N 0 0 253.273 1.015 50 0 CDAARN C[C@H](c1ccccn1)N(C)CC(=O)NCC(F)(F)F ZINC000096485806 230381588 /nfs/dbraw/zinc/38/15/88/230381588.db2.gz KHTMQXQJMPRTTK-SECBINFHSA-N 0 0 275.274 1.753 50 0 CDAARN O=C(NCCCF)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000096494036 230383619 /nfs/dbraw/zinc/38/36/19/230383619.db2.gz OXMUOSHIRYQJCJ-AWEZNQCLSA-N 0 0 280.343 1.999 50 0 CDAARN C[C@H](c1ccccn1)N1CCN(C(=O)C2CC2)CC1 ZINC000082255256 177928569 /nfs/dbraw/zinc/92/85/69/177928569.db2.gz KSBICJACHOHQBR-GFCCVEGCSA-N 0 0 259.353 1.697 50 0 CDAARN COc1cccc(CN2CCN(C)C2=O)c1OC ZINC000095505599 185000360 /nfs/dbraw/zinc/00/03/60/185000360.db2.gz SWJPZZQBIWORLV-UHFFFAOYSA-N 0 0 250.298 1.571 50 0 CDAARN CN(CCn1cccn1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000095507530 185000922 /nfs/dbraw/zinc/00/09/22/185000922.db2.gz RBXHIWBLQMAVSS-AWEZNQCLSA-N 0 0 285.347 1.593 50 0 CDAARN COc1ccnc(CN(C)C(=O)C[C@@H]2CCOC2)c1 ZINC000426504434 230421325 /nfs/dbraw/zinc/42/13/25/230421325.db2.gz FPDSYFIWVSHBJG-NSHDSACASA-N 0 0 264.325 1.475 50 0 CDAARN CCOC(=O)c1csc(=O)n1Cc1ncc(C)s1 ZINC000187987143 342497880 /nfs/dbraw/zinc/49/78/80/342497880.db2.gz DUNGIFKWRNSCAE-UHFFFAOYSA-N 0 0 284.362 1.900 50 0 CDAARN Cc1ccc(C(=O)N2CCC(CC(N)=O)CC2)n1C(F)F ZINC000584903833 341993954 /nfs/dbraw/zinc/99/39/54/341993954.db2.gz FFTWNUIHTBFJAF-UHFFFAOYSA-N 0 0 299.321 1.919 50 0 CDAARN CC(C)[C@H](NC(=O)N[C@H]1C[C@@H]1C)c1nnc2n1CCC2 ZINC000107497635 398149512 /nfs/dbraw/zinc/14/95/12/398149512.db2.gz YUAGPGTYDTXJPV-NHCYSSNCSA-N 0 0 277.372 1.629 50 0 CDAARN Cc1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2F)on1 ZINC000097376609 342003041 /nfs/dbraw/zinc/00/30/41/342003041.db2.gz IBBFBESATZMVKX-LLVKDONJSA-N 0 0 296.273 1.595 50 0 CDAARN C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1nncn1C ZINC000095941257 185035795 /nfs/dbraw/zinc/03/57/95/185035795.db2.gz UGQBMBIXWZWROG-RISCZKNCSA-N 0 0 299.378 1.486 50 0 CDAARN CC1(NC(=O)Nc2ccncc2F)CCOCC1 ZINC000095940258 185036393 /nfs/dbraw/zinc/03/63/93/185036393.db2.gz IIQZKKBKTQSFQJ-UHFFFAOYSA-N 0 0 253.277 1.911 50 0 CDAARN CN1N=C(C(=O)N[C@H]2C[C@@H]2c2ccccc2)CCC1=O ZINC000095954988 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/nfs/dbraw/zinc/91/56/00/355915600.db2.gz ZHKXBELKPQXYEH-UHFFFAOYSA-N 0 0 262.334 1.747 50 0 CDAARN Cc1ccccc1-c1nnn(CC(=O)N2CCCC2)n1 ZINC000000612930 355919284 /nfs/dbraw/zinc/91/92/84/355919284.db2.gz JBRUWQSVNVDLOA-UHFFFAOYSA-N 0 0 271.324 1.271 50 0 CDAARN CCC(=O)c1c(N[C@H](CC)CO)cc(C)oc1=O ZINC000100182464 355921050 /nfs/dbraw/zinc/92/10/50/355921050.db2.gz VMYRSGGUWPPCKY-SECBINFHSA-N 0 0 253.298 1.724 50 0 CDAARN CCc1nnc(NC(=S)NC(=O)c2cccnc2)s1 ZINC000001004476 355925301 /nfs/dbraw/zinc/92/53/01/355925301.db2.gz WFNKOALRXNXRGP-UHFFFAOYSA-N 0 0 293.377 1.622 50 0 CDAARN COc1cccc(C(=O)NC2=NCCS2)c1OC ZINC000001054864 355926685 /nfs/dbraw/zinc/92/66/85/355926685.db2.gz YBRKJYPAHPVSCU-UHFFFAOYSA-N 0 0 266.322 1.536 50 0 CDAARN COC[C@@H](C)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000000030985 355880643 /nfs/dbraw/zinc/88/06/43/355880643.db2.gz APWGJZFMESDRMA-GFCCVEGCSA-N 0 0 271.382 1.925 50 0 CDAARN COc1ccc(C(=O)CSc2nncn2C)cc1 ZINC000000053415 355882253 /nfs/dbraw/zinc/88/22/53/355882253.db2.gz VSKKWDMIDTVZIW-UHFFFAOYSA-N 0 0 263.322 1.799 50 0 CDAARN CC(C)(C)NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000135075 355889460 /nfs/dbraw/zinc/88/94/60/355889460.db2.gz BGPPBQVMSZONFU-UHFFFAOYSA-N 0 0 260.293 1.197 50 0 CDAARN COC(=O)CSCc1n[nH]c(=O)c2ccccc12 ZINC000000170817 355893741 /nfs/dbraw/zinc/89/37/41/355893741.db2.gz MTOQVXDKMWUUAX-UHFFFAOYSA-N 0 0 264.306 1.329 50 0 CDAARN CC(=O)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O ZINC000000194368 355895568 /nfs/dbraw/zinc/89/55/68/355895568.db2.gz MCGDILBNDMXNQR-SECBINFHSA-N 0 0 271.276 1.941 50 0 CDAARN Nc1ccc2c(c1)S(=O)(=O)c1cc(N)ccc1O2 ZINC000000208649 355896101 /nfs/dbraw/zinc/89/61/01/355896101.db2.gz MFMOJDZSLMQCEQ-UHFFFAOYSA-N 0 0 262.290 1.790 50 0 CDAARN NC(=O)C1CCN(C(=S)NC2CCCCC2)CC1 ZINC000000257755 355899404 /nfs/dbraw/zinc/89/94/04/355899404.db2.gz VNXDYDPXHSSLIL-UHFFFAOYSA-N 0 0 269.414 1.391 50 0 CDAARN O=Cc1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 ZINC000000264139 355899882 /nfs/dbraw/zinc/89/98/82/355899882.db2.gz MENDVZRTWVWJCK-ZDUSSCGKSA-N 0 0 286.331 1.749 50 0 CDAARN CCNC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 ZINC000000259759 355900340 /nfs/dbraw/zinc/90/03/40/355900340.db2.gz DBEAIXAKERIBRR-GFCCVEGCSA-N 0 0 260.337 1.738 50 0 CDAARN COc1cc(NC(=O)c2ccco2)cc(-n2cnnn2)c1 ZINC000002743874 355981333 /nfs/dbraw/zinc/98/13/33/355981333.db2.gz LAUVUCCLBJVMAI-UHFFFAOYSA-N 0 0 285.263 1.516 50 0 CDAARN O=c1c(Cl)c(NCCO)ncn1-c1ccccc1 ZINC000002853966 355984495 /nfs/dbraw/zinc/98/44/95/355984495.db2.gz CMUUUHKSXRQNTC-UHFFFAOYSA-N 0 0 265.700 1.290 50 0 CDAARN COCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000002876706 355985506 /nfs/dbraw/zinc/98/55/06/355985506.db2.gz ZJVWJHZXLCVKDO-UHFFFAOYSA-N 0 0 263.746 1.406 50 0 CDAARN CCOC(=O)c1sc2ncnc(NCCO)c2c1C ZINC000002886977 355986241 /nfs/dbraw/zinc/98/62/41/355986241.db2.gz YXQNEKDNLBJLKF-UHFFFAOYSA-N 0 0 281.337 1.581 50 0 CDAARN COC(=O)c1c(F)c(F)c(F)c(F)c1C(=O)OC ZINC000002963048 355988842 /nfs/dbraw/zinc/98/88/42/355988842.db2.gz YKDASBAWJFXNAV-UHFFFAOYSA-N 0 0 266.146 1.816 50 0 CDAARN Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000003061043 355992720 /nfs/dbraw/zinc/99/27/20/355992720.db2.gz XMLXDMOLBWMSQF-NSHDSACASA-N 0 0 262.309 1.229 50 0 CDAARN CCOC(=O)CN(C(C)=O)c1cccc(OC)c1 ZINC000003106145 355994365 /nfs/dbraw/zinc/99/43/65/355994365.db2.gz LAGBLDSZDFBTJE-UHFFFAOYSA-N 0 0 251.282 1.611 50 0 CDAARN COc1cccc2ncn([C@H](CO)CCSC)c(=O)c21 ZINC000584901684 355956192 /nfs/dbraw/zinc/95/61/92/355956192.db2.gz KOGNYFHTKMYRHK-JTQLQIEISA-N 0 0 294.376 1.692 50 0 CDAARN CCCOc1cc(/C=C2\NC(=S)NC2=O)ccc1OC ZINC000002058367 355959315 /nfs/dbraw/zinc/95/93/15/355959315.db2.gz GQBKDFKDFRQMMP-YFHOEESVSA-N 0 0 292.360 1.829 50 0 CDAARN CCOC(=O)C(=O)c1ccc(C(=O)OCC)cc1 ZINC000002245422 355964585 /nfs/dbraw/zinc/96/45/85/355964585.db2.gz PVWAXIMAWDPJQL-UHFFFAOYSA-N 0 0 250.250 1.609 50 0 CDAARN CCc1ccc(NC(=O)C[C@H]2SCCNC2=O)cc1 ZINC000002342023 355967453 /nfs/dbraw/zinc/96/74/53/355967453.db2.gz BHNKSDVKWQRDJT-GFCCVEGCSA-N 0 0 278.377 1.809 50 0 CDAARN CCc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 ZINC000002342021 355967803 /nfs/dbraw/zinc/96/78/03/355967803.db2.gz BHNKSDVKWQRDJT-LBPRGKRZSA-N 0 0 278.377 1.809 50 0 CDAARN COC[C@H](C)NC(=O)c1ccc(OC(C)=O)cc1 ZINC000004524658 356034928 /nfs/dbraw/zinc/03/49/28/356034928.db2.gz KAXUWFOLETVMJU-VIFPVBQESA-N 0 0 251.282 1.377 50 0 CDAARN CCOc1ccc(S(=O)(=O)N(CC)CC)cc1N ZINC000003887165 356011913 /nfs/dbraw/zinc/01/19/13/356011913.db2.gz QENQJFWCKIMCIG-UHFFFAOYSA-N 0 0 272.370 1.698 50 0 CDAARN CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1N ZINC000003887463 356012028 /nfs/dbraw/zinc/01/20/28/356012028.db2.gz YUQIXTAEBMVENX-UHFFFAOYSA-N 0 0 283.397 1.509 50 0 CDAARN CN1CCN(NC(=O)c2ccccc2Br)CC1 ZINC000004113237 356019315 /nfs/dbraw/zinc/01/93/15/356019315.db2.gz NPJUDFOMYDASIA-UHFFFAOYSA-N 0 0 298.184 1.341 50 0 CDAARN CN(C(=O)c1ccccc1)[C@@]1(C)CCS(=O)(=O)C1 ZINC000004196267 356021486 /nfs/dbraw/zinc/02/14/86/356021486.db2.gz ZALNPEYMWWLORG-ZDUSSCGKSA-N 0 0 267.350 1.336 50 0 CDAARN Nc1cccc(S(=O)(=O)NC2CCCCC2)c1 ZINC000004352783 356028688 /nfs/dbraw/zinc/02/86/88/356028688.db2.gz DFMAKCBJDOFYEO-UHFFFAOYSA-N 0 0 254.355 1.880 50 0 CDAARN COCCNC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002749835 356105022 /nfs/dbraw/zinc/10/50/22/356105022.db2.gz FTAIWWGUAVLCCB-UHFFFAOYSA-N 0 0 269.169 1.758 50 0 CDAARN Cc1cccc(NC(=O)N2CCC[C@@H]2c2nncn2C)n1 ZINC000097378762 356106327 /nfs/dbraw/zinc/10/63/27/356106327.db2.gz JQOLMBWZYRNHMH-LLVKDONJSA-N 0 0 286.339 1.888 50 0 CDAARN Cc1ccn(CC2N=NC(=S)N2c2cn(C)nc2C)n1 ZINC000002791049 356106828 /nfs/dbraw/zinc/10/68/28/356106828.db2.gz RGKNPUOLCWINME-UHFFFAOYSA-N 0 0 289.368 1.151 50 0 CDAARN NC(=O)[C@@H](NC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000097380157 356114526 /nfs/dbraw/zinc/11/45/26/356114526.db2.gz FSWRBLGEJCDZKA-RYUDHWBXSA-N 0 0 280.299 1.037 50 0 CDAARN c1snnc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000097373031 356093672 /nfs/dbraw/zinc/09/36/72/356093672.db2.gz RNQBCQIZRUIEIS-LLVKDONJSA-N 0 0 283.397 1.556 50 0 CDAARN Cc1c(C(=O)N2CCN(Cc3ccco3)CC2)cnn1C ZINC000097527657 356181016 /nfs/dbraw/zinc/18/10/16/356181016.db2.gz RHXUXSOKZTURBI-UHFFFAOYSA-N 0 0 288.351 1.280 50 0 CDAARN CN(Cc1cnn(C)c1)S(=O)(=O)c1ccccc1Cl ZINC000032551693 356253089 /nfs/dbraw/zinc/25/30/89/356253089.db2.gz QOWHYQOPCJQPJF-UHFFFAOYSA-N 0 0 299.783 1.894 50 0 CDAARN CCc1ccc(C(=O)COC(=O)C2=NNC(=O)CC2)cc1 ZINC000004334179 356272122 /nfs/dbraw/zinc/27/21/22/356272122.db2.gz HJJIRARHKFQNGB-UHFFFAOYSA-N 0 0 288.303 1.241 50 0 CDAARN Cn1ccc(CC(=O)N[C@@H]2CC(=O)N(CC(C)(C)C)C2)c1 ZINC000011813346 356279932 /nfs/dbraw/zinc/27/99/32/356279932.db2.gz YSVIWMRNICKDEZ-CYBMUJFWSA-N 0 0 291.395 1.331 50 0 CDAARN COc1ncc(-c2cc(-n3cccn3)ncn2)c(OC)n1 ZINC000032573461 356280803 /nfs/dbraw/zinc/28/08/03/356280803.db2.gz AWDFGXFVVPCMTL-UHFFFAOYSA-N 0 0 284.279 1.137 50 0 CDAARN CN(C(=O)COc1nnc2ccccn21)c1ccccc1 ZINC000012788747 356325531 /nfs/dbraw/zinc/32/55/31/356325531.db2.gz GMNCNKHLIQAPPY-UHFFFAOYSA-N 0 0 282.303 1.771 50 0 CDAARN Cc1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)c(C)c1 ZINC000011905188 356283945 /nfs/dbraw/zinc/28/39/45/356283945.db2.gz VJDYGIKKOWGKHT-UHFFFAOYSA-N 0 0 287.319 1.182 50 0 CDAARN COC(=O)c1nc(N)sc1C(=O)c1ccc(OC)cc1 ZINC000011919840 356284115 /nfs/dbraw/zinc/28/41/15/356284115.db2.gz GQTPHKQAWSVZKD-UHFFFAOYSA-N 0 0 292.316 1.752 50 0 CDAARN CC(=O)NCCOc1ccc(Br)cc1 ZINC000012364270 356294936 /nfs/dbraw/zinc/29/49/36/356294936.db2.gz PUKXEBVTXADABW-UHFFFAOYSA-N 0 0 258.115 1.964 50 0 CDAARN CCOC(=O)c1cnc(=S)[nH]c1C(F)(F)F ZINC000012505999 356301964 /nfs/dbraw/zinc/30/19/64/356301964.db2.gz YVOZRBINFRMMKL-UHFFFAOYSA-N 0 0 252.217 1.961 50 0 CDAARN Cc1csc2ncn(Cc3nnc4n3CCC4)c(=O)c12 ZINC000032590425 356307195 /nfs/dbraw/zinc/30/71/95/356307195.db2.gz DBXNBFRDLQNXJC-UHFFFAOYSA-N 0 0 287.348 1.352 50 0 CDAARN Cc1c(Cl)c(C(=O)NCCCn2ccnc2)nn1C ZINC000032610759 356311747 /nfs/dbraw/zinc/31/17/47/356311747.db2.gz DYHUIWDTNKKSKL-UHFFFAOYSA-N 0 0 281.747 1.399 50 0 CDAARN Cn1cc(CNC(=O)c2cc(F)ccc2F)cn1 ZINC000032611064 356312655 /nfs/dbraw/zinc/31/26/55/356312655.db2.gz CWABECXERIAYFX-UHFFFAOYSA-N 0 0 251.236 1.628 50 0 CDAARN O=C1OCC[C@H]1Sc1nnc(-c2ccc(O)cc2)o1 ZINC000013121925 356337994 /nfs/dbraw/zinc/33/79/94/356337994.db2.gz XXAGELAOAWEFIP-SECBINFHSA-N 0 0 278.289 1.850 50 0 CDAARN CC(C)(C)C(=O)OC[C@@]12CC[C@@H](O1)[C@]1(C)C(=O)OC[C@@H]12 ZINC000013139398 356339508 /nfs/dbraw/zinc/33/95/08/356339508.db2.gz FXJNVIAMPIHZFN-UNNXFLIFSA-N 0 0 282.336 1.686 50 0 CDAARN CCCOC[C@H]1C[C@H](CCC2N=NC(=S)N2)C(=O)O1 ZINC000013496575 356348041 /nfs/dbraw/zinc/34/80/41/356348041.db2.gz DLOKVDZZFTXQGI-DTWKUNHWSA-N 0 0 285.369 1.384 50 0 CDAARN Cc1cc(=O)[nH]c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000013547177 356348638 /nfs/dbraw/zinc/34/86/38/356348638.db2.gz SIVLFYBELRNQKK-UHFFFAOYSA-N 0 0 270.210 1.853 50 0 CDAARN O=C(CCNC(=O)c1ccsc1)NCc1ccco1 ZINC000032726821 356352236 /nfs/dbraw/zinc/35/22/36/356352236.db2.gz KRDFFDWACATQHG-UHFFFAOYSA-N 0 0 278.333 1.777 50 0 CDAARN CCCc1cc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)n[nH]1 ZINC000032754495 356362150 /nfs/dbraw/zinc/36/21/50/356362150.db2.gz XDYJSMQFTYVVCS-UHFFFAOYSA-N 0 0 298.302 1.498 50 0 CDAARN NC(=O)CSCCC(=O)NC1CCCCCC1 ZINC000032772269 356366210 /nfs/dbraw/zinc/36/62/10/356366210.db2.gz RWYIQABMPRPUDM-UHFFFAOYSA-N 0 0 258.387 1.434 50 0 CDAARN CN(C(=O)c1cccc(F)c1)[C@]1(C)CCS(=O)(=O)C1 ZINC000004505120 356372321 /nfs/dbraw/zinc/37/23/21/356372321.db2.gz WJFFRLQVNBSZJW-CYBMUJFWSA-N 0 0 285.340 1.475 50 0 CDAARN C[C@H](NC(=O)c1cnccn1)c1ccc(-n2cncn2)cc1 ZINC000014139750 356377379 /nfs/dbraw/zinc/37/73/79/356377379.db2.gz MYGXQGZRJCBGGT-NSHDSACASA-N 0 0 294.318 1.548 50 0 CDAARN COc1ccc(OCCNC(=O)c2cnc(C)cn2)cc1 ZINC000014180663 356378367 /nfs/dbraw/zinc/37/83/67/356378367.db2.gz AZYVAMMJXSZLMW-UHFFFAOYSA-N 0 0 287.319 1.602 50 0 CDAARN CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCC2)o1 ZINC000032827165 356382883 /nfs/dbraw/zinc/38/28/83/356382883.db2.gz JJCVRRNKBOGKSW-UHFFFAOYSA-N 0 0 286.353 1.202 50 0 CDAARN COc1ccc(CN(C)C(=O)c2ccc[nH]c2=O)cc1F ZINC000032819107 356383768 /nfs/dbraw/zinc/38/37/68/356383768.db2.gz VAHNDUZVYRFECV-UHFFFAOYSA-N 0 0 290.294 1.795 50 0 CDAARN CCONC(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC000032848386 356393735 /nfs/dbraw/zinc/39/37/35/356393735.db2.gz UVAANJBNAMQTRH-JTQLQIEISA-N 0 0 278.308 1.258 50 0 CDAARN Cn1nnnc1SCc1ccc(-n2cccn2)cc1 ZINC000014644268 356394262 /nfs/dbraw/zinc/39/42/62/356394262.db2.gz WBVMRLGMFSTRHS-UHFFFAOYSA-N 0 0 272.337 1.688 50 0 CDAARN COc1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 ZINC000014791007 356396398 /nfs/dbraw/zinc/39/63/98/356396398.db2.gz XPWCQNBBBGKLGC-UHFFFAOYSA-N 0 0 296.286 1.890 50 0 CDAARN C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCO1 ZINC000032865163 356397079 /nfs/dbraw/zinc/39/70/79/356397079.db2.gz KVNMRVVTCSATDJ-SNVBAGLBSA-N 0 0 257.293 1.491 50 0 CDAARN NC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000015517160 356417868 /nfs/dbraw/zinc/41/78/68/356417868.db2.gz IALKFFYKUVKTJT-ZDUSSCGKSA-N 0 0 296.326 1.975 50 0 CDAARN CCN(C(=O)/C=C/c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000032902347 356420843 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256784413 /nfs/dbraw/zinc/78/44/13/256784413.db2.gz ZSKOZGRFKDKVQU-UHFFFAOYSA-N 0 0 266.692 1.140 50 0 CDAARN COc1c[nH]c(C(=O)Nc2cc(C)ccn2)cc1=O ZINC000524733979 256784930 /nfs/dbraw/zinc/78/49/30/256784930.db2.gz JXONECFYGLCZCT-UHFFFAOYSA-N 0 0 259.265 1.339 50 0 CDAARN CCCS(=O)(=O)NC[C@H](OC)c1cccc(OC)c1 ZINC000096390158 256791228 /nfs/dbraw/zinc/79/12/28/256791228.db2.gz SHNRCJGWEFIJTR-ZDUSSCGKSA-N 0 0 287.381 1.712 50 0 CDAARN Cc1nnc2n1[C@@H](C)CN(C(=O)Cc1cncs1)C2 ZINC000096151592 256884011 /nfs/dbraw/zinc/88/40/11/256884011.db2.gz OPKIVEJWQBBSFD-QMMMGPOBSA-N 0 0 277.353 1.189 50 0 CDAARN Cc1noc(C)c1CCCNC(=O)Nc1cnns1 ZINC000096180100 256887015 /nfs/dbraw/zinc/88/70/15/256887015.db2.gz RUMHATPFFVKOFK-UHFFFAOYSA-N 0 0 281.341 1.897 50 0 CDAARN O=C(NCCCO)c1[nH]nc2c1COc1ccccc1-2 ZINC000096231566 256887582 /nfs/dbraw/zinc/88/75/82/256887582.db2.gz RIHAROLCDYRKMW-UHFFFAOYSA-N 0 0 273.292 1.081 50 0 CDAARN Cc1ccc(-c2nnn(CC(=O)NC3CCCC3)n2)cc1 ZINC000000794817 169678591 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COCCC(=O)N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000012386326 356296429 /nfs/dbraw/zinc/29/64/29/356296429.db2.gz ODAWTQGJHPDIRA-CYBMUJFWSA-N 0 0 294.326 1.079 50 0 CDAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NN)nc2)C1 ZINC000012504656 356301928 /nfs/dbraw/zinc/30/19/28/356301928.db2.gz RJBRCHSKLLBXKQ-AOOOYVTPSA-N 0 0 284.385 1.034 50 0 CDAARN CCNC(=O)c1cccnc1N(C)CCC1(O)CCCC1 ZINC000032580971 356302816 /nfs/dbraw/zinc/30/28/16/356302816.db2.gz JZRDPBFZOTUUCU-UHFFFAOYSA-N 0 0 291.395 1.963 50 0 CDAARN Cn1ccnc1SCC(=O)Nc1cccc2nonc21 ZINC000032578510 356305536 /nfs/dbraw/zinc/30/55/36/356305536.db2.gz OEVOVOLKRDNLGM-UHFFFAOYSA-N 0 0 289.320 1.687 50 0 CDAARN Cc1ccc(C(=O)NCc2cccnc2N(C)C)o1 ZINC000032685556 356334714 /nfs/dbraw/zinc/33/47/14/356334714.db2.gz SRLNFWBPJBFOQS-UHFFFAOYSA-N 0 0 259.309 1.979 50 0 CDAARN Cc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000013110583 356337557 /nfs/dbraw/zinc/33/75/57/356337557.db2.gz WPFYQSJKOJNEMK-RNJOBUHISA-N 0 0 257.289 1.662 50 0 CDAARN 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CC(C)(C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000082344310 277172011 /nfs/dbraw/zinc/17/20/11/277172011.db2.gz FJUWKMOFTHJAIH-UHFFFAOYSA-N 0 0 290.772 1.516 50 0 CDAARN CNC(=S)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000005936291 277262686 /nfs/dbraw/zinc/26/26/86/277262686.db2.gz WUWXRMXDUHBCSR-LURJTMIESA-N 0 0 283.422 1.888 50 0 CDAARN C[C@@H]1CCc2c(sc3[nH]c(=NN)nc(NN)c23)C1 ZINC000000506273 277804872 /nfs/dbraw/zinc/80/48/72/277804872.db2.gz SBLQCBATCGGKMP-RXMQYKEDSA-N 0 0 264.358 1.387 50 0 CDAARN CC(=O)N[C@@H]1CNC(=O)C1(c1ccccc1)c1ccccc1 ZINC000005226441 278150615 /nfs/dbraw/zinc/15/06/15/278150615.db2.gz SZSGFTRZERGBRP-MRXNPFEDSA-N 0 0 294.354 1.607 50 0 CDAARN CC(C)(C)CS(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000253430901 278330678 /nfs/dbraw/zinc/33/06/78/278330678.db2.gz GDZDGKZZJKQLFZ-YPMHNXCESA-N 0 0 291.413 1.290 50 0 CDAARN Cc1cc(C(=O)N[C@H]2CCc3nc(C)cn3C2)on1 ZINC000097198278 278651753 /nfs/dbraw/zinc/65/17/53/278651753.db2.gz MWWHYJWXESIGES-JTQLQIEISA-N 0 0 260.297 1.233 50 0 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CCSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000015883446 280061047 /nfs/dbraw/zinc/06/10/47/280061047.db2.gz TUNUAFRGAFLFHS-UHFFFAOYSA-N 0 0 293.392 1.868 50 0 CDAARN O=C1C[C@@H]([C@H]2CCCO2)C(=O)N1Cc1ccccc1 ZINC000100570283 280269573 /nfs/dbraw/zinc/26/95/73/280269573.db2.gz NCQDYRZPXZGQQT-QWHCGFSZSA-N 0 0 259.305 1.741 50 0 CDAARN O=S(=O)(c1cccc2cccnc21)N1CCSCC1 ZINC000089808068 280341066 /nfs/dbraw/zinc/34/10/66/280341066.db2.gz QOZNGHOXNWRVQK-UHFFFAOYSA-N 0 0 294.401 1.972 50 0 CDAARN Cc1cc(C(=O)N[C@@H]2CC(=O)Nc3ccccc32)nc(N)n1 ZINC000216501756 280351568 /nfs/dbraw/zinc/35/15/68/280351568.db2.gz QFUTUMUPZCXOCH-LLVKDONJSA-N 0 0 297.318 1.181 50 0 CDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)C[C@@H](C)O1 ZINC000002651909 288241368 /nfs/dbraw/zinc/24/13/68/288241368.db2.gz ZHDKFRBHCZXAJB-NXEZZACHSA-N 0 0 270.354 1.067 50 0 CDAARN Cc1cccc(NC(=O)c2cc(N3CCOCC3)ncn2)n1 ZINC000239578944 281242435 /nfs/dbraw/zinc/24/24/35/281242435.db2.gz DBQGHGGLDOYHJI-UHFFFAOYSA-N 0 0 299.334 1.269 50 0 CDAARN 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O=C1NC(=O)C2(CCC(Nc3ncc(Cl)cn3)CC2)N1 ZINC000286348763 296356801 /nfs/dbraw/zinc/35/68/01/296356801.db2.gz KDHLZRQVVCKXFH-UHFFFAOYSA-N 0 0 295.730 1.063 50 0 CDAARN Cc1cc(C)n(-c2ccc(N3CCOCC3)nn2)n1 ZINC000000091291 291855078 /nfs/dbraw/zinc/85/50/78/291855078.db2.gz GVLONADNZUMIGN-UHFFFAOYSA-N 0 0 259.313 1.116 50 0 CDAARN CC(C)(C)N1C[C@@H](C(=O)N[C@H]2CC[C@H](O)CC2)CC1=O ZINC000512675683 254113306 /nfs/dbraw/zinc/11/33/06/254113306.db2.gz PWSRYCGPNOHKAL-SRVKXCTJSA-N 0 0 282.384 1.053 50 0 CDAARN COCCN1CCN(C(=O)Nc2cncc(F)c2)CC1 ZINC000281269044 195174998 /nfs/dbraw/zinc/17/49/98/195174998.db2.gz AYBKROLMKSJQBF-UHFFFAOYSA-N 0 0 282.319 1.017 50 0 CDAARN O=C(NN1CCOCC1)c1cc2cccc(F)c2o1 ZINC000096435955 256753044 /nfs/dbraw/zinc/75/30/44/256753044.db2.gz SKPMHJVGUIAXFJ-UHFFFAOYSA-N 0 0 264.256 1.549 50 0 CDAARN C[C@@H](Oc1ccc(OCc2ccon2)cc1)C(N)=O ZINC000096428999 256756673 /nfs/dbraw/zinc/75/66/73/256756673.db2.gz LFEZRILFEBFANV-SECBINFHSA-N 0 0 262.265 1.506 50 0 CDAARN C[C@@H](CNS(C)(=O)=O)Oc1cccc(Cl)c1 ZINC000096428620 256757943 /nfs/dbraw/zinc/75/79/43/256757943.db2.gz YXMWQPXBAIXXLE-QMMMGPOBSA-N 0 0 263.746 1.657 50 0 CDAARN CCCS(=O)(=O)NC[C@@H](OC)c1cccc(OC)c1 ZINC000096390159 256791723 /nfs/dbraw/zinc/79/17/23/256791723.db2.gz SHNRCJGWEFIJTR-CYBMUJFWSA-N 0 0 287.381 1.712 50 0 CDAARN CC(C)NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccs1 ZINC000096181134 256795172 /nfs/dbraw/zinc/79/51/72/256795172.db2.gz MIWLGMWGEMZIHW-JOYOIKCWSA-N 0 0 266.366 1.792 50 0 CDAARN COC(=O)[C@H](NC(=O)c1cc(C)n[nH]1)C(C)(C)C ZINC000096411656 256767114 /nfs/dbraw/zinc/76/71/14/256767114.db2.gz OPTCRNKHTVEBSB-VIFPVBQESA-N 0 0 253.302 1.036 50 0 CDAARN CC(C)[C@H](NC(=O)NCC1CC1)c1nnc2n1CCC2 ZINC000096404827 256769769 /nfs/dbraw/zinc/76/97/69/256769769.db2.gz CNDOAOMNSLUYIC-LBPRGKRZSA-N 0 0 277.372 1.631 50 0 CDAARN O=C(C=Cc1ccccc1)NCC(=O)Nc1cc[nH]n1 ZINC000096313832 256773449 /nfs/dbraw/zinc/77/34/49/256773449.db2.gz YSBHRHNZQJXUIC-SREVYHEPSA-N 0 0 270.292 1.178 50 0 CDAARN Cc1ccc(/C=C\C(=O)NCCn2cnnc2C2CC2)o1 ZINC000096297543 256773979 /nfs/dbraw/zinc/77/39/79/256773979.db2.gz GVZAVTIHGHEKPY-SREVYHEPSA-N 0 0 286.335 1.887 50 0 CDAARN CN(C)N1C(=O)C[C@@H](Nc2ccc(Cl)cc2)C1=O ZINC000000857241 169680784 /nfs/dbraw/zinc/68/07/84/169680784.db2.gz MQKAYMHAEFNTBB-SNVBAGLBSA-N 0 0 267.716 1.356 50 0 CDAARN CCOC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000000958841 169683125 /nfs/dbraw/zinc/68/31/25/169683125.db2.gz IXEKBAVRPMJJST-UHFFFAOYSA-N 0 0 293.348 1.295 50 0 CDAARN COC(=O)c1cc2n(n1)CCN(Cc1ccc(C)cc1)C2=O ZINC000001387813 169698628 /nfs/dbraw/zinc/69/86/28/169698628.db2.gz FKLGLCGZEFTSSW-UHFFFAOYSA-N 0 0 299.330 1.634 50 0 CDAARN O=c1c2cccnc2ccn1Cc1noc([C@H]2CCCO2)n1 ZINC000095384343 184961958 /nfs/dbraw/zinc/96/19/58/184961958.db2.gz HZMXTZXUUPFKRW-GFCCVEGCSA-N 0 0 298.302 1.679 50 0 CDAARN C[C@@H](Oc1ncn(-c2ccccc2)n1)c1ccnc(N)n1 ZINC000001389330 169699048 /nfs/dbraw/zinc/69/90/48/169699048.db2.gz CVKFUIBLWSSDLY-SNVBAGLBSA-N 0 0 282.307 1.780 50 0 CDAARN O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(F)cc1 ZINC000004548190 390213874 /nfs/dbraw/zinc/21/38/74/390213874.db2.gz GGTDOKKZQNJLMC-UHFFFAOYSA-N 0 0 290.294 1.873 50 0 CDAARN CCCCN(CCCC)S(=O)(=O)N1CC[C@@H](CO)C1 ZINC000095461877 184993580 /nfs/dbraw/zinc/99/35/80/184993580.db2.gz VROWUUAHRMMJHD-CYBMUJFWSA-N 0 0 292.445 1.448 50 0 CDAARN C[C@@H](Oc1ccc(F)cc1)c1ccnc2nc(N)nn21 ZINC000001400492 169701956 /nfs/dbraw/zinc/70/19/56/169701956.db2.gz GSHODUWAPOEZEU-MRVPVSSYSA-N 0 0 273.271 1.986 50 0 CDAARN CS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1 ZINC000001501325 169710159 /nfs/dbraw/zinc/71/01/59/169710159.db2.gz MLFLNUOEZMMIHB-UHFFFAOYSA-N 0 0 290.344 1.415 50 0 CDAARN C[C@@H]1COCCN1Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000025481163 390247560 /nfs/dbraw/zinc/24/75/60/390247560.db2.gz OCSZISODFJHREP-SNVBAGLBSA-N 0 0 293.758 1.672 50 0 CDAARN CCn1c2nc(C)cc(C(=O)OC)c2c(=O)[nH]c1=S ZINC000047218865 390444463 /nfs/dbraw/zinc/44/44/63/390444463.db2.gz KVMUIGQADKLLJJ-UHFFFAOYSA-N 0 0 279.321 1.569 50 0 CDAARN C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)CSC(C)(C)C)CC1 ZINC000096426662 390517552 /nfs/dbraw/zinc/51/75/52/390517552.db2.gz TYDYFKMJCBVRPB-VXGBXAGGSA-N 0 0 298.452 1.845 50 0 CDAARN Cc1ccc(CCN(C[C@H]2CCCO2)S(C)(=O)=O)cc1 ZINC000096428694 390518052 /nfs/dbraw/zinc/51/80/52/390518052.db2.gz NGOIBLJGEIXFCG-OAHLLOKOSA-N 0 0 297.420 1.978 50 0 CDAARN CCc1ccc([C@@H]2COCCN2CC(=O)NCC(C)C)o1 ZINC000096412986 390511198 /nfs/dbraw/zinc/51/11/98/390511198.db2.gz DQRLLHROPICUJN-AWEZNQCLSA-N 0 0 294.395 1.988 50 0 CDAARN C[C@](O)(CNC(=O)NC1CCC1)c1ccsc1 ZINC000096419925 390514118 /nfs/dbraw/zinc/51/41/18/390514118.db2.gz SIKVNVSLJZARLR-LBPRGKRZSA-N 0 0 254.355 1.807 50 0 CDAARN CCOC(=O)CCN(C(=O)c1ccncc1F)C1CC1 ZINC000096420508 390514425 /nfs/dbraw/zinc/51/44/25/390514425.db2.gz IIADNKDKCDVKTB-UHFFFAOYSA-N 0 0 280.299 1.779 50 0 CDAARN CCN(CC)C(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000096420264 390514445 /nfs/dbraw/zinc/51/44/45/390514445.db2.gz KICBQUUSMHFXDH-UHFFFAOYSA-N 0 0 264.329 1.657 50 0 CDAARN CCCCS(=O)(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000048906209 390464078 /nfs/dbraw/zinc/46/40/78/390464078.db2.gz MFTCTOFKIMLDLL-LBPRGKRZSA-N 0 0 298.412 1.165 50 0 CDAARN CCc1noc(Cn2cc(NC(=O)C(C)(C)C)cn2)n1 ZINC000096435620 390518987 /nfs/dbraw/zinc/51/89/87/390518987.db2.gz QRRFHILONZSNFR-UHFFFAOYSA-N 0 0 277.328 1.861 50 0 CDAARN Cc1[nH]nc2c1[C@H](c1cnn3cccnc13)CC(=O)N2 ZINC000065422035 390551077 /nfs/dbraw/zinc/55/10/77/390551077.db2.gz WPBVUXUUSAGKHG-QMMMGPOBSA-N 0 0 268.280 1.235 50 0 CDAARN COCC1(CNC(=O)N[C@@H](CO)c2ccccc2)CCC1 ZINC000283380053 195848332 /nfs/dbraw/zinc/84/83/32/195848332.db2.gz DCVWJOZZLLRBHB-AWEZNQCLSA-N 0 0 292.379 1.836 50 0 CDAARN Cc1ncn(C[C@H](O)c2ccc(F)c(F)c2)c(=O)c1C ZINC000097082252 390672441 /nfs/dbraw/zinc/67/24/41/390672441.db2.gz XULXXZCDXLVWOD-ZDUSSCGKSA-N 0 0 280.274 1.872 50 0 CDAARN CCc1nnc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)s1 ZINC000097098722 390675740 /nfs/dbraw/zinc/67/57/40/390675740.db2.gz YQOUSGIOYVJGGG-SSDOTTSWSA-N 0 0 294.384 1.885 50 0 CDAARN CNc1snc(C)c1C(=O)OCCc1cnccn1 ZINC000097103757 390791794 /nfs/dbraw/zinc/79/17/94/390791794.db2.gz XSAOHTNFHQHFHQ-UHFFFAOYSA-N 0 0 278.337 1.683 50 0 CDAARN COCC[NH+]1[C@H](C)CN(c2cccc(C)n2)C[C@H]1C ZINC000097163389 390803253 /nfs/dbraw/zinc/80/32/53/390803253.db2.gz IFRIXEXQPVQJTF-ZIAGYGMSSA-N 0 0 263.385 1.935 50 0 CDAARN Fc1ccc2[nH]cc(CCNc3ccc4nnnn4n3)c2c1 ZINC000342430263 391036699 /nfs/dbraw/zinc/03/66/99/391036699.db2.gz QIZWCMIVMQRBEX-UHFFFAOYSA-N 0 0 297.297 1.216 50 0 CDAARN Cc1cccc(C(=O)NCc2nnc3nc(C)cc(C)n23)n1 ZINC000012824771 391037149 /nfs/dbraw/zinc/03/71/49/391037149.db2.gz WDFGLZFEUQNQRI-UHFFFAOYSA-N 0 0 296.334 1.375 50 0 CDAARN O=C(NCc1nnc2n1CCCCC2)c1cncc(F)c1 ZINC000165089257 391072354 /nfs/dbraw/zinc/07/23/54/391072354.db2.gz XBJONIPOFMAOIG-UHFFFAOYSA-N 0 0 289.314 1.469 50 0 CDAARN CC(C)C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)n1cccc1 ZINC000263586987 391089756 /nfs/dbraw/zinc/08/97/56/391089756.db2.gz AQMFYRLOYAVHSW-CHWSQXEVSA-N 0 0 298.408 1.379 50 0 CDAARN COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccncc1F ZINC000096460926 533378911 /nfs/dbraw/zinc/37/89/11/533378911.db2.gz JPFWMIRFJCOLTL-CMPLNLGQSA-N 0 0 280.299 1.682 50 0 CDAARN CCc1nnc(NC(=O)[C@@H](NC(C)=O)C(C)C)s1 ZINC000012771210 391203673 /nfs/dbraw/zinc/20/36/73/391203673.db2.gz XHHJUOLNHMUFSU-VIFPVBQESA-N 0 0 270.358 1.200 50 0 CDAARN COc1cccc(CNC(=O)Nc2cnns2)c1 ZINC000190797755 391331094 /nfs/dbraw/zinc/33/10/94/391331094.db2.gz JGFHNISPEAPLHZ-UHFFFAOYSA-N 0 0 264.310 1.868 50 0 CDAARN COC(=O)C[C@@H]1CN(CCC2CCCC2)CCO1 ZINC000096455375 533644802 /nfs/dbraw/zinc/64/48/02/533644802.db2.gz BXJZNXUKQOTBRF-CYBMUJFWSA-N 0 0 255.358 1.831 50 0 CDAARN C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1 ZINC000032796085 391496044 /nfs/dbraw/zinc/49/60/44/391496044.db2.gz GHLAMHWJEMLWGB-OCCSQVGLSA-N 0 0 293.411 1.829 50 0 CDAARN C[C@H]1CCCCN1S(=O)(=O)NCCc1ccccc1 ZINC000027932312 391605209 /nfs/dbraw/zinc/60/52/09/391605209.db2.gz XOTAEDRLUSOIHK-ZDUSSCGKSA-N 0 0 282.409 1.938 50 0 CDAARN COC[C@H]1CN(C(=O)c2nnc(C)s2)CC(C)(C)O1 ZINC000285204630 285462049 /nfs/dbraw/zinc/46/20/49/285462049.db2.gz WUBNOKZVGPPUDT-SECBINFHSA-N 0 0 285.369 1.113 50 0 CDAARN Cc1nc(-c2cccc(NC(=O)C3=COCCO3)c2)n[nH]1 ZINC000194361569 392172572 /nfs/dbraw/zinc/17/25/72/392172572.db2.gz XCTOPFLRSJBVAQ-UHFFFAOYSA-N 0 0 286.291 1.607 50 0 CDAARN Cc1cc2c(c(=O)[nH]1)[C@H](c1ccncc1)CC(=O)O2 ZINC000085875706 292000853 /nfs/dbraw/zinc/00/08/53/292000853.db2.gz CXOICDVLOYJLEA-JTQLQIEISA-N 0 0 256.261 1.519 50 0 biogenic CDAARN COC[C@@H]1CCCN(C(=O)/C=C\c2cccnc2)C1 ZINC000096405931 393180244 /nfs/dbraw/zinc/18/02/44/393180244.db2.gz KCPNKIHYXSCGSV-LMVHVUTASA-N 0 0 260.337 1.980 50 0 CDAARN O=C(/C=C\c1cccc(F)c1)NCCN1C(=O)CCC1=O ZINC000096406073 393180439 /nfs/dbraw/zinc/18/04/39/393180439.db2.gz IXBNCXIQAKMUFE-PLNGDYQASA-N 0 0 290.294 1.104 50 0 CDAARN Cc1c(Cl)cccc1OCC(=O)N[C@H](C(N)=O)C(C)C ZINC000096412010 393181542 /nfs/dbraw/zinc/18/15/42/393181542.db2.gz OLDOBPVGGBAHPV-ZDUSSCGKSA-N 0 0 298.770 1.653 50 0 CDAARN CSC(C)(C)CNC(=O)Nc1cccn(C)c1=O ZINC000096435120 393186563 /nfs/dbraw/zinc/18/65/63/393186563.db2.gz LLQAUTBBBXLUTI-UHFFFAOYSA-N 0 0 269.370 1.648 50 0 CDAARN Cc1occc1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000195580335 393308299 /nfs/dbraw/zinc/30/82/99/393308299.db2.gz YYQUMJFZLWPIPF-UHFFFAOYSA-N 0 0 280.305 1.410 50 0 CDAARN O=c1[nH]c(=S)c2c(n1[C@@H]1CCS(=O)(=O)C1)CCC2 ZINC000027795178 296489380 /nfs/dbraw/zinc/48/93/80/296489380.db2.gz ZFCMTGMGNKJJBW-SSDOTTSWSA-N 0 0 286.378 1.166 50 0 CDAARN Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)c(C)c1 ZINC000000384479 134526272 /nfs/dbraw/zinc/52/62/72/134526272.db2.gz WOMANGOAKMGTBQ-UHFFFAOYSA-N 0 0 297.424 1.232 50 0 CDAARN CC1CCN(C(=O)CN2CC(=O)Nc3ccccc32)CC1 ZINC000008747109 134669965 /nfs/dbraw/zinc/66/99/65/134669965.db2.gz YLZFHXOQUKSXNT-UHFFFAOYSA-N 0 0 287.363 1.704 50 0 CDAARN O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[S@@](=O)C1 ZINC000078954369 139653012 /nfs/dbraw/zinc/65/30/12/139653012.db2.gz SIBJIJSCZZKOTP-QGHHPUGFSA-N 0 0 272.757 1.983 50 0 CDAARN CCO[C@H]1C[C@@](CO)(NCc2cscn2)C1(C)C ZINC000186587640 140064964 /nfs/dbraw/zinc/06/49/64/140064964.db2.gz FDUGFFKXUPPIER-AAEUAGOBSA-N 0 0 270.398 1.799 50 0 CDAARN O=C1[C@@H](NCc2ccco2)CCCN1c1cccnc1 ZINC000097106930 397605606 /nfs/dbraw/zinc/60/56/06/397605606.db2.gz PCKJNYUOQGABGG-AWEZNQCLSA-N 0 0 271.320 1.960 50 0 CDAARN CCC(CC)Cn1ncc(N2CCOCC2)cc1=O ZINC000072166563 397925383 /nfs/dbraw/zinc/92/53/83/397925383.db2.gz UVQCHJYNDYVKRX-UHFFFAOYSA-N 0 0 265.357 1.516 50 0 CDAARN O[C@@]1(C(F)(F)F)NN=C2C=Cc3ccccc3N21 ZINC000000139995 296576139 /nfs/dbraw/zinc/57/61/39/296576139.db2.gz SQPCKVYAZOFFMY-NSHDSACASA-N 0 0 255.199 1.645 50 0 CDAARN Cc1ccc(NC(=O)N[C@H]2CCc3n[nH]cc3C2)nc1 ZINC000096010672 292154943 /nfs/dbraw/zinc/15/49/43/292154943.db2.gz LMIHQSQLOAKYTM-NSHDSACASA-N 0 0 271.324 1.792 50 0 CDAARN Cc1cc(F)ccc1C(=O)N1C[C@@H](CO)OC[C@@H]1C ZINC000095979140 147114129 /nfs/dbraw/zinc/11/41/29/147114129.db2.gz XPNRWMXLNOEBPL-JQWIXIFHSA-N 0 0 267.300 1.356 50 0 CDAARN CN(C)S(=O)(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000095980886 147114432 /nfs/dbraw/zinc/11/44/32/147114432.db2.gz IGWBRNVAHYOQRI-GFCCVEGCSA-N 0 0 272.345 1.599 50 0 CDAARN CCOCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1C ZINC000097115851 286035899 /nfs/dbraw/zinc/03/58/99/286035899.db2.gz MCRDJOGOHNDGAT-HNNXBMFYSA-N 0 0 290.363 1.421 50 0 CDAARN COc1ccc(C(=O)N2CCN(C)c3ccccc32)nn1 ZINC000096413821 286276272 /nfs/dbraw/zinc/27/62/72/286276272.db2.gz GMRNRJWCKWBVEC-UHFFFAOYSA-N 0 0 284.319 1.582 50 0 CDAARN COCC1(NC(=O)[C@@H]2CCCCn3nnnc32)CCCC1 ZINC000071759088 292251766 /nfs/dbraw/zinc/25/17/66/292251766.db2.gz GKCOQTIQHZFBFV-LLVKDONJSA-N 0 0 293.371 1.016 50 0 CDAARN CC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)OC(C)C)[C@H]3C1=O ZINC000004061232 286778592 /nfs/dbraw/zinc/77/85/92/286778592.db2.gz UXFWYIVYGDXNJJ-ZRTFPUAOSA-N 0 0 293.363 1.519 50 0 biogenic CDAARN Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(N)=O ZINC000002524080 169802166 /nfs/dbraw/zinc/80/21/66/169802166.db2.gz ANBLOZAMXLDOFS-UHFFFAOYSA-N 0 0 296.783 1.637 50 0 CDAARN O=C1C(=Cc2cccnc2)NC(=S)N1C[C@H]1CCCO1 ZINC000002743685 169824373 /nfs/dbraw/zinc/82/43/73/169824373.db2.gz NEFHVRBYQKUJDK-HBZGRHIISA-N 0 0 289.360 1.318 50 0 CDAARN CCOC(=O)CNC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000002741713 169824481 /nfs/dbraw/zinc/82/44/81/169824481.db2.gz PVMHPOMEDCNNTG-UHFFFAOYSA-N 0 0 297.179 1.675 50 0 CDAARN CCCCC(=O)NC(=S)Nc1ccc(C(N)=O)cc1 ZINC000002871875 169839510 /nfs/dbraw/zinc/83/95/10/169839510.db2.gz WJXSKGKVJSHGLX-UHFFFAOYSA-N 0 0 279.365 1.789 50 0 CDAARN COCCCNC(=O)Cc1ccc(OC)c(OC)c1 ZINC000002932741 169844814 /nfs/dbraw/zinc/84/48/14/169844814.db2.gz HUGBRBFVEYVEKR-UHFFFAOYSA-N 0 0 267.325 1.399 50 0 biogenic CDAARN C=COCCNC(=O)C(=O)Nc1ccccc1CC ZINC000002944004 169845635 /nfs/dbraw/zinc/84/56/35/169845635.db2.gz ZUPKYBSZRQMJQH-UHFFFAOYSA-N 0 0 262.309 1.464 50 0 CDAARN COCCCNC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000002966087 169846282 /nfs/dbraw/zinc/84/62/82/169846282.db2.gz RGHMDIQLVLLKBV-UHFFFAOYSA-N 0 0 264.325 1.395 50 0 CDAARN CC(C)(C)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1 ZINC000003436117 169887899 /nfs/dbraw/zinc/88/78/99/169887899.db2.gz SPTIJXRBVOACFM-UHFFFAOYSA-N 0 0 293.323 1.249 50 0 CDAARN CCC(CC)NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000003549908 169896306 /nfs/dbraw/zinc/89/63/06/169896306.db2.gz YKCBLYRFXRDSQI-UHFFFAOYSA-N 0 0 273.336 1.852 50 0 CDAARN O=S1(=O)CC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000003888487 169920762 /nfs/dbraw/zinc/92/07/62/169920762.db2.gz XRLSZXLOVAUTJE-VIFPVBQESA-N 0 0 250.323 1.540 50 0 CDAARN NC(=O)c1cnn(-c2ccccc2)c1NCc1ccncc1 ZINC000004709861 170002993 /nfs/dbraw/zinc/00/29/93/170002993.db2.gz YCHSJUZCIMQSOP-UHFFFAOYSA-N 0 0 293.330 1.978 50 0 CDAARN CCCCOC(=O)c1ccc(NC(=O)C(N)=O)cc1 ZINC000004785605 170016669 /nfs/dbraw/zinc/01/66/69/170016669.db2.gz HILJYRUEBULIIC-UHFFFAOYSA-N 0 0 264.281 1.067 50 0 CDAARN CC(=O)Oc1cccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000004870395 170034943 /nfs/dbraw/zinc/03/49/43/170034943.db2.gz ABBJAMFPUZHSDU-GHMZBOCLSA-N 0 0 277.320 1.861 50 0 CDAARN NC(=O)COC(=O)c1c2c(nc3ccccc31)CCC2 ZINC000004979593 170048077 /nfs/dbraw/zinc/04/80/77/170048077.db2.gz QCHIGBHWDRWEJS-UHFFFAOYSA-N 0 0 270.288 1.366 50 0 CDAARN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2nccs2)C1 ZINC000004983937 170048976 /nfs/dbraw/zinc/04/89/76/170048976.db2.gz WDASWWGRLSJXDV-JTQLQIEISA-N 0 0 297.380 1.357 50 0 CDAARN COCCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000004991535 170051020 /nfs/dbraw/zinc/05/10/20/170051020.db2.gz UQCJJKXEGLYRAI-UHFFFAOYSA-N 0 0 262.309 1.190 50 0 CDAARN CCOc1ccc(CNc2nn[nH]n2)cc1OCC ZINC000005019211 170056461 /nfs/dbraw/zinc/05/64/61/170056461.db2.gz ARRHXRMWYGIQCI-UHFFFAOYSA-N 0 0 263.301 1.609 50 0 CDAARN Cc1ccc2[nH]cc(CCNc3nnc(C)c(=O)n3N)c2c1 ZINC000005274822 170082055 /nfs/dbraw/zinc/08/20/55/170082055.db2.gz CUKAMDYAIKFEKV-UHFFFAOYSA-N 0 0 298.350 1.105 50 0 CDAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1N ZINC000005335541 170086880 /nfs/dbraw/zinc/08/68/80/170086880.db2.gz SQUZMBDOJAVCBS-MRVPVSSYSA-N 0 0 295.368 1.259 50 0 CDAARN CCC(=O)Nc1cccc(N2CCCS2(=O)=O)c1 ZINC000005339198 170087455 /nfs/dbraw/zinc/08/74/55/170087455.db2.gz DUNLDVYZMOLXIR-UHFFFAOYSA-N 0 0 268.338 1.575 50 0 CDAARN COC(=O)[C@@H](C)NC(=O)NCCc1ccc(Cl)cc1 ZINC000005346507 170088129 /nfs/dbraw/zinc/08/81/29/170088129.db2.gz WGXIJHHHXKIECO-SECBINFHSA-N 0 0 284.743 1.743 50 0 CDAARN COC(=O)CCNC(=O)Nc1ccccc1C(=O)OC ZINC000005353053 170088954 /nfs/dbraw/zinc/08/89/54/170088954.db2.gz COAXZWNPGQGMTA-UHFFFAOYSA-N 0 0 280.280 1.158 50 0 CDAARN Cc1nonc1OCCn1nnnc1-c1ccccc1 ZINC000005533403 170110117 /nfs/dbraw/zinc/11/01/17/170110117.db2.gz FTGJDLCUMHUEEE-UHFFFAOYSA-N 0 0 272.268 1.111 50 0 CDAARN C[C@H](OC(=O)/C=C/c1c(F)cccc1Cl)C(N)=O ZINC000005564262 170114083 /nfs/dbraw/zinc/11/40/83/170114083.db2.gz ZNFCRUHGQYMPAM-XPPMVYLVSA-N 0 0 271.675 1.909 50 0 CDAARN O=C(CSc1nc2ccccc2[nH]1)NC(=O)NC1CC1 ZINC000005628186 170122216 /nfs/dbraw/zinc/12/22/16/170122216.db2.gz JMVIEJCHWGBUEL-UHFFFAOYSA-N 0 0 290.348 1.643 50 0 CDAARN CC[C@@H](NC(=O)c1cn(C)nc1C(F)(F)F)C(=O)OC ZINC000005875741 170149589 /nfs/dbraw/zinc/14/95/89/170149589.db2.gz ACAWEZODERXNEU-SSDOTTSWSA-N 0 0 293.245 1.120 50 0 CDAARN C[C@H](Nc1ccc2c(c1)OCO2)C(=O)N1CCCC1 ZINC000005934345 170158076 /nfs/dbraw/zinc/15/80/76/170158076.db2.gz WPVTXNIOJUOCQA-JTQLQIEISA-N 0 0 262.309 1.838 50 0 CDAARN NNc1ccc2nnc(C(F)(F)C(F)(F)F)n2n1 ZINC000005945704 170160167 /nfs/dbraw/zinc/16/01/67/170160167.db2.gz XMWJUWVAJLGGPP-UHFFFAOYSA-N 0 0 268.149 1.064 50 0 CDAARN C[C@H](Sc1nc(N)n[nH]1)C(=O)OC1CCCCC1 ZINC000005961517 170162972 /nfs/dbraw/zinc/16/29/72/170162972.db2.gz FZRQEHGMDPBAOV-ZETCQYMHSA-N 0 0 270.358 1.743 50 0 CDAARN CCCCNC(=S)NN=c1nc(C)cc(C)[nH]1 ZINC000006330781 170192150 /nfs/dbraw/zinc/19/21/50/170192150.db2.gz CABVVRUFHMWSJM-UHFFFAOYSA-N 0 0 253.375 1.685 50 0 CDAARN COC(=O)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 ZINC000006405921 170199068 /nfs/dbraw/zinc/19/90/68/170199068.db2.gz JFICTWCZBLMSGN-ZDUSSCGKSA-N 0 0 293.319 1.147 50 0 CDAARN O=C(CNC(=O)c1ccco1)NCc1ccc(F)cc1 ZINC000006435253 170200795 /nfs/dbraw/zinc/20/07/95/170200795.db2.gz XNCZBIZQBXNQIB-UHFFFAOYSA-N 0 0 276.267 1.465 50 0 CDAARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)NC(N)=O ZINC000006609681 170218653 /nfs/dbraw/zinc/21/86/53/170218653.db2.gz HRFWXPQWPPNQNM-QMMMGPOBSA-N 0 0 292.364 1.732 50 0 CDAARN COC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 ZINC000006697997 170227364 /nfs/dbraw/zinc/22/73/64/170227364.db2.gz SPRGBXNKRUHQAC-OLZOCXBDSA-N 0 0 290.363 1.499 50 0 CDAARN COC(=O)COc1ccc(I)cc1 ZINC000006701324 170229543 /nfs/dbraw/zinc/22/95/43/170229543.db2.gz PPKVJSVJTVHTOY-UHFFFAOYSA-N 0 0 292.072 1.843 50 0 CDAARN CC(C)Oc1cccc(C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000006702731 170230176 /nfs/dbraw/zinc/23/01/76/170230176.db2.gz LHLGXQHFVQWDCS-UHFFFAOYSA-N 0 0 290.363 1.811 50 0 CDAARN CC[C@H](C)NC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797172 170244847 /nfs/dbraw/zinc/24/48/47/170244847.db2.gz WHEOMGMSIXFEOT-NSHDSACASA-N 0 0 298.346 1.564 50 0 CDAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nn[nH]n1 ZINC000006795355 170245036 /nfs/dbraw/zinc/24/50/36/170245036.db2.gz ADJQRCCHYLEHEK-ZCFIWIBFSA-N 0 0 267.676 1.259 50 0 CDAARN CCn1cc(C2=NO[C@@H](C(=O)Nc3cccnc3)C2)c(C)n1 ZINC000006802815 170245201 /nfs/dbraw/zinc/24/52/01/170245201.db2.gz GUYZDOMKFZNUMV-CQSZACIVSA-N 0 0 299.334 1.738 50 0 CDAARN Cc1scc(-c2nnc(SCC(N)=O)n2C)c1C ZINC000006825326 170246731 /nfs/dbraw/zinc/24/67/31/170246731.db2.gz OXOHFJRMWFHHKW-UHFFFAOYSA-N 0 0 282.394 1.738 50 0 CDAARN O=C(CSCC(=O)NC1CC1)Nc1ccccc1F ZINC000006937725 170256980 /nfs/dbraw/zinc/25/69/80/170256980.db2.gz JHQKOAKHVUNAPD-UHFFFAOYSA-N 0 0 282.340 1.776 50 0 CDAARN COC(=O)C(C(=O)OC)[C@@]1(C)CC[C@@H](OC)C1(C)C ZINC000007141076 170268480 /nfs/dbraw/zinc/26/84/80/170268480.db2.gz GBICYKRZPWENOS-YMTOWFKASA-N 0 0 272.341 1.790 50 0 CDAARN O=C(COc1ccc(-n2cnnn2)cc1)NC1CCCC1 ZINC000007251493 170273167 /nfs/dbraw/zinc/27/31/67/170273167.db2.gz FSGKITNDZAUIRD-UHFFFAOYSA-N 0 0 287.323 1.100 50 0 CDAARN O=C(CSc1ncnc2[nH]cnc21)NCc1ccccc1 ZINC000007344247 170278503 /nfs/dbraw/zinc/27/85/03/170278503.db2.gz KVQYNOCQCHZKRG-UHFFFAOYSA-N 0 0 299.359 1.761 50 0 CDAARN CC(C)CCNc1nc(C(=O)OCC(N)=O)cs1 ZINC000007353454 170279214 /nfs/dbraw/zinc/27/92/14/170279214.db2.gz SKCREJYEYPUYJV-UHFFFAOYSA-N 0 0 271.342 1.243 50 0 CDAARN CSCC[C@H](NC(N)=O)C(=O)OCc1ccc(C)cc1 ZINC000007482883 170286595 /nfs/dbraw/zinc/28/65/95/170286595.db2.gz OLIZLVLIVWOYMS-LBPRGKRZSA-N 0 0 296.392 1.828 50 0 CDAARN CCOC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 ZINC000007507840 170287443 /nfs/dbraw/zinc/28/74/43/170287443.db2.gz OYZMSCWITZNDES-ZCFIWIBFSA-N 0 0 274.367 1.215 50 0 CDAARN O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCOCC1 ZINC000007735042 170299304 /nfs/dbraw/zinc/29/93/04/170299304.db2.gz VDRUHXGSUHWWAX-UHFFFAOYSA-N 0 0 296.754 1.319 50 0 CDAARN O=C(NCCc1ccc2c(c1)OCCO2)c1ccncc1 ZINC000007778896 170301544 /nfs/dbraw/zinc/30/15/44/170301544.db2.gz FZGOUCPPLOONSO-UHFFFAOYSA-N 0 0 284.315 1.825 50 0 CDAARN O=C1CN(Cc2ccc(Br)cc2)CCN1 ZINC000007844244 170304860 /nfs/dbraw/zinc/30/48/60/170304860.db2.gz AMKNQSMSXRRRAN-UHFFFAOYSA-N 0 0 269.142 1.381 50 0 CDAARN COCCNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 ZINC000008049558 170316333 /nfs/dbraw/zinc/31/63/33/170316333.db2.gz YTXJRFGXZSAASM-LBPRGKRZSA-N 0 0 251.326 1.833 50 0 CDAARN CC(C)[C@@H](NC(N)=O)C(=O)Nc1cccc2ncccc21 ZINC000008072091 170317224 /nfs/dbraw/zinc/31/72/24/170317224.db2.gz FVFLIFZIUKQVLR-CYBMUJFWSA-N 0 0 286.335 1.866 50 0 CDAARN NC(=O)[C@H]1CCCN(Cc2nnc(-c3ccccc3)o2)C1 ZINC000008171504 170322699 /nfs/dbraw/zinc/32/26/99/170322699.db2.gz SKCPQFMZTRIIIK-LBPRGKRZSA-N 0 0 286.335 1.434 50 0 CDAARN Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(O)c1 ZINC000008242105 170326814 /nfs/dbraw/zinc/32/68/14/170326814.db2.gz VCEFXRUBYNBDLD-JTQLQIEISA-N 0 0 283.349 1.464 50 0 CDAARN CCNc1nnc(S[C@H](C)C(=O)N(C)C)s1 ZINC000008250799 170327115 /nfs/dbraw/zinc/32/71/15/170327115.db2.gz JZOLIEAJWCOUAO-ZCFIWIBFSA-N 0 0 260.388 1.539 50 0 CDAARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1ccccc1Cl ZINC000008273674 170328143 /nfs/dbraw/zinc/32/81/43/170328143.db2.gz KLZULYNULBNACI-SNVBAGLBSA-N 0 0 299.779 1.905 50 0 CDAARN COC(=O)[C@@H](C)Sc1nnnn1-c1ccc(OC)cc1 ZINC000008283792 170328905 /nfs/dbraw/zinc/32/89/05/170328905.db2.gz PNAGJBCJIVTNTB-MRVPVSSYSA-N 0 0 294.336 1.325 50 0 CDAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H]2CCCO2)cc1 ZINC000008312895 170330295 /nfs/dbraw/zinc/33/02/95/170330295.db2.gz GDKDVIAOKKREEQ-CYBMUJFWSA-N 0 0 292.335 1.271 50 0 CDAARN Cn1cc(C(=O)Nc2ccc3c(c2)OCCCO3)cn1 ZINC000008327012 170331378 /nfs/dbraw/zinc/33/13/78/170331378.db2.gz KBNNVPSJPCLVSE-UHFFFAOYSA-N 0 0 273.292 1.834 50 0 CDAARN CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C ZINC000008327628 170331655 /nfs/dbraw/zinc/33/16/55/170331655.db2.gz DYKGJQJEIVLQPM-QMMMGPOBSA-N 0 0 294.355 1.848 50 0 CDAARN CC(C)CCNC(=O)Cn1cnc2sccc2c1=O ZINC000008394850 170334903 /nfs/dbraw/zinc/33/49/03/170334903.db2.gz YTQKQZGGANTVHI-UHFFFAOYSA-N 0 0 279.365 1.620 50 0 CDAARN COc1ccc(-n2nnnc2-c2cnc(N)nc2C)cc1 ZINC000008702027 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CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000020562895 171252679 /nfs/dbraw/zinc/25/26/79/171252679.db2.gz MFMIKAHYRFKDTQ-ZETCQYMHSA-N 0 0 262.762 1.999 50 0 CDAARN CN(Cc1ccon1)C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000020599486 171266351 /nfs/dbraw/zinc/26/63/51/171266351.db2.gz BZPXEECCUSKMCE-UHFFFAOYSA-N 0 0 284.275 1.183 50 0 CDAARN O=C(Nc1ccccc1O)c1ccc(F)cc1-n1cnnn1 ZINC000020744688 171271306 /nfs/dbraw/zinc/27/13/06/171271306.db2.gz NCLMFTCHYXIGBA-UHFFFAOYSA-N 0 0 299.265 1.759 50 0 CDAARN Cn1c(=O)c2ccccc2nc1C(=O)NCc1cccnc1 ZINC000020762106 171272152 /nfs/dbraw/zinc/27/21/52/171272152.db2.gz YKBQQLAFKJFEHX-UHFFFAOYSA-N 0 0 294.314 1.259 50 0 biogenic CDAARN O=C(Cn1ncc2ccsc2c1=O)N1CCCC1 ZINC000020860138 171276415 /nfs/dbraw/zinc/27/64/15/171276415.db2.gz GXRCJUHXDSFLLA-UHFFFAOYSA-N 0 0 263.322 1.080 50 0 CDAARN C[C@H]1CCCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 ZINC000020893363 171278248 /nfs/dbraw/zinc/27/82/48/171278248.db2.gz XFPTZPUUUYUMCW-NSHDSACASA-N 0 0 275.352 1.727 50 0 CDAARN Cc1ccn(CCC(=O)N[C@H](C)Cc2ccco2)n1 ZINC000020989626 171283429 /nfs/dbraw/zinc/28/34/29/171283429.db2.gz QEKLIFHEYAJZNW-GFCCVEGCSA-N 0 0 261.325 1.922 50 0 CDAARN CCOc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1 ZINC000021009570 171286266 /nfs/dbraw/zinc/28/62/66/171286266.db2.gz QHGYHIWXKURZNS-UHFFFAOYSA-N 0 0 276.336 1.436 50 0 CDAARN CCCNC(=O)c1nn(-c2ccc(F)cc2)nc1CO ZINC000021172898 171298918 /nfs/dbraw/zinc/29/89/18/171298918.db2.gz IEEXKNUMFIITPS-UHFFFAOYSA-N 0 0 278.287 1.039 50 0 CDAARN COc1ccc(NC(=O)CN2CCCCCC2=O)cn1 ZINC000021333719 171302617 /nfs/dbraw/zinc/30/26/17/171302617.db2.gz PLWPJTLZUWWTDX-UHFFFAOYSA-N 0 0 277.324 1.431 50 0 CDAARN Cc1ccccc1N1C[C@H](C(=O)N2CCOCC2)CC1=O ZINC000021347293 171302853 /nfs/dbraw/zinc/30/28/53/171302853.db2.gz CIIBPJFFHVSYTC-CYBMUJFWSA-N 0 0 288.347 1.207 50 0 CDAARN CC(C)CNS(=O)(=O)c1ccc(Cl)c(N)c1 ZINC000021516402 171312949 /nfs/dbraw/zinc/31/29/49/171312949.db2.gz ITKQPWFMKRVKCT-UHFFFAOYSA-N 0 0 262.762 1.857 50 0 CDAARN COC(=O)c1cc(S(=O)(=O)NC2CCCC2)cn1C 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/nfs/dbraw/zinc/38/41/64/171384164.db2.gz OGNZLWMLKQAOKQ-ZDUSSCGKSA-N 0 0 260.293 1.467 50 0 CDAARN COCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000022314861 171384757 /nfs/dbraw/zinc/38/47/57/171384757.db2.gz RSHXWTQTNXHGFT-GFCCVEGCSA-N 0 0 276.336 1.340 50 0 CDAARN NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000022503948 171389191 /nfs/dbraw/zinc/38/91/91/171389191.db2.gz UUEYIWCAVXLFIK-UHFFFAOYSA-N 0 0 258.310 1.338 50 0 CDAARN CC(C)CCC[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 ZINC000022512275 171389238 /nfs/dbraw/zinc/38/92/38/171389238.db2.gz ZCDDBSOXHIQZCU-LLVKDONJSA-N 0 0 267.373 1.926 50 0 CDAARN COC(=O)C1(NC(=O)COc2cc(C)on2)CCCCC1 ZINC000022503867 171389323 /nfs/dbraw/zinc/38/93/23/171389323.db2.gz UOJHAGJVCRMHFV-UHFFFAOYSA-N 0 0 296.323 1.354 50 0 CDAARN C[C@@H](C(N)=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022772350 171398905 /nfs/dbraw/zinc/39/89/05/171398905.db2.gz JAUXZUAJSCIFFA-VIFPVBQESA-N 0 0 287.816 1.393 50 0 CDAARN COC(=O)C[C@H](NC(=O)c1cnccn1)c1cccs1 ZINC000025194845 171450733 /nfs/dbraw/zinc/45/07/33/171450733.db2.gz XZJBTXIZQZUFPK-VIFPVBQESA-N 0 0 291.332 1.572 50 0 CDAARN CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000025772625 171465918 /nfs/dbraw/zinc/46/59/18/171465918.db2.gz XIACPDBBGDSHNM-JTQLQIEISA-N 0 0 296.392 1.431 50 0 CDAARN Cc1ccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)cc1 ZINC000025969102 171468325 /nfs/dbraw/zinc/46/83/25/171468325.db2.gz RERACWWLGLRRCF-CYBMUJFWSA-N 0 0 288.347 1.207 50 0 CDAARN CCOC(=O)N[C@H](O)C(=O)c1ccc(Cl)cc1 ZINC000026963749 171504179 /nfs/dbraw/zinc/50/41/79/171504179.db2.gz DUTQBHNSHVEXMT-SNVBAGLBSA-N 0 0 257.673 1.587 50 0 CDAARN Cc1noc(CN2CCC[C@H]2C(=O)NCc2ccco2)n1 ZINC000027144430 171508674 /nfs/dbraw/zinc/50/86/74/171508674.db2.gz RRAKGJFXRVSQSA-LBPRGKRZSA-N 0 0 290.323 1.252 50 0 CDAARN CN(C)S(=O)(=O)NCC1(c2ccccc2)CCCC1 ZINC000027966850 171540427 /nfs/dbraw/zinc/54/04/27/171540427.db2.gz YNGPUBBSJCKRBO-UHFFFAOYSA-N 0 0 282.409 1.894 50 0 CDAARN CCc1noc(CN2CCN(C(=O)c3ccoc3)CC2)n1 ZINC000028978151 171582941 /nfs/dbraw/zinc/58/29/41/171582941.db2.gz LKOQYEJMIFLUGN-UHFFFAOYSA-N 0 0 290.323 1.183 50 0 CDAARN CS[C@@H](C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000031728712 171645275 /nfs/dbraw/zinc/64/52/75/171645275.db2.gz WKXUNUYTMSOZLX-VIFPVBQESA-N 0 0 262.338 1.957 50 0 CDAARN COc1ccc(-n2nnc(C(=O)NC(C)C)c2C)cc1 ZINC000032632768 171741170 /nfs/dbraw/zinc/74/11/70/171741170.db2.gz WWFQDFDBESDDKL-UHFFFAOYSA-N 0 0 274.324 1.723 50 0 CDAARN Cc1occc1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000032923058 171762828 /nfs/dbraw/zinc/76/28/28/171762828.db2.gz FRIVWXWEFFUNKQ-UHFFFAOYSA-N 0 0 276.336 1.719 50 0 CDAARN O=C(/C=C\c1cccc(F)c1)OCC(=O)NC1CC1 ZINC000034856230 171889365 /nfs/dbraw/zinc/88/93/65/171889365.db2.gz RLTOFKYUJDDNFR-DAXSKMNVSA-N 0 0 263.268 1.661 50 0 CDAARN Cc1noc([C@H]2CCCN(S(=O)(=O)c3ccoc3)C2)n1 ZINC000285037824 196183508 /nfs/dbraw/zinc/18/35/08/196183508.db2.gz CAARDBHRBXQCIM-JTQLQIEISA-N 0 0 297.336 1.539 50 0 CDAARN CC(C)NC(=O)CNCc1cnn(-c2ccccc2)c1 ZINC000035137741 172005224 /nfs/dbraw/zinc/00/52/24/172005224.db2.gz UBORAMCJZDIECZ-UHFFFAOYSA-N 0 0 272.352 1.487 50 0 CDAARN COC(=O)CNC(=O)CCOc1ccc(C)c(C)c1 ZINC000035220825 172062654 /nfs/dbraw/zinc/06/26/54/172062654.db2.gz IOCFIJOARCFPHO-UHFFFAOYSA-N 0 0 265.309 1.362 50 0 CDAARN CCC[C@](C)(NC(=O)c1ccc2c(c1)OCO2)C(=O)OC ZINC000035249501 172080164 /nfs/dbraw/zinc/08/01/64/172080164.db2.gz ZQJQASWNRBWASW-HNNXBMFYSA-N 0 0 293.319 1.877 50 0 CDAARN CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 ZINC000035301383 172115306 /nfs/dbraw/zinc/11/53/06/172115306.db2.gz XPQWBZRDTMWQCS-LLVKDONJSA-N 0 0 293.342 1.317 50 0 CDAARN NC(=O)[C@@H]1Cc2ccccc2CN1CCOc1ccccc1 ZINC000035355249 172146404 /nfs/dbraw/zinc/14/64/04/172146404.db2.gz WKWFHWRFPZZQAU-KRWDZBQOSA-N 0 0 296.370 1.978 50 0 CDAARN CC1(C)c2ccccc2N(CC(=O)N2CCCC2)C1=O ZINC000035398830 172176885 /nfs/dbraw/zinc/17/68/85/172176885.db2.gz JSWYMHJOEGHIMN-UHFFFAOYSA-N 0 0 272.348 1.933 50 0 CDAARN NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000035506085 172239364 /nfs/dbraw/zinc/23/93/64/172239364.db2.gz VDDJBKGGWMWBPD-UHFFFAOYSA-N 0 0 284.344 1.974 50 0 CDAARN O=C([O-])C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000035680286 172351405 /nfs/dbraw/zinc/35/14/05/172351405.db2.gz OJRNHEQHPBODNJ-UHFFFAOYSA-N 0 0 296.754 1.111 50 0 CDAARN Cc1noc(C)c1C(=O)NCc1ccc(C(N)=O)cc1 ZINC000036727787 172661359 /nfs/dbraw/zinc/66/13/59/172661359.db2.gz AVGBQSPQSWHNJH-UHFFFAOYSA-N 0 0 273.292 1.320 50 0 CDAARN O=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCOC1)C1CC1 ZINC000037503681 173238956 /nfs/dbraw/zinc/23/89/56/173238956.db2.gz VJZJJTNCQZGCAL-SNVBAGLBSA-N 0 0 262.309 1.016 50 0 CDAARN CCn1nccc1CNCc1c(C(F)(F)F)cnn1C ZINC000663349866 414173811 /nfs/dbraw/zinc/17/38/11/414173811.db2.gz ULUJKFOJIFYNJR-UHFFFAOYSA-N 0 0 287.289 1.945 50 0 CDAARN Cn1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1=O ZINC000038103942 174119725 /nfs/dbraw/zinc/11/97/25/174119725.db2.gz RDYNGBLPDBBPOI-UHFFFAOYSA-N 0 0 282.296 1.325 50 0 CDAARN CCNS(=O)(=O)c1cncc(Br)c1 ZINC000038537113 174144956 /nfs/dbraw/zinc/14/49/56/174144956.db2.gz ILGAHUKGIGEEMU-UHFFFAOYSA-N 0 0 265.132 1.142 50 0 CDAARN Cc1occc(=O)c1OCC(=O)NC1Cc2ccccc2C1 ZINC000044903119 175274680 /nfs/dbraw/zinc/27/46/80/175274680.db2.gz BSHPZRARCJLALL-UHFFFAOYSA-N 0 0 299.326 1.611 50 0 CDAARN O=C(C1CCC(Cn2cnnn2)CC1)N1CCCC1 ZINC000044918380 175276788 /nfs/dbraw/zinc/27/67/88/175276788.db2.gz MFPFGFZVIQMIMG-UHFFFAOYSA-N 0 0 263.345 1.102 50 0 CDAARN CN(C)S(=O)(=O)c1ccc2[nH]cc(C=O)c2c1 ZINC000045795926 175383851 /nfs/dbraw/zinc/38/38/51/175383851.db2.gz HNUWCNMXPWIDOC-UHFFFAOYSA-N 0 0 252.295 1.231 50 0 CDAARN CCOC(=O)c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 ZINC000045796110 175384179 /nfs/dbraw/zinc/38/41/79/175384179.db2.gz COGAASGYPTYMIX-UHFFFAOYSA-N 0 0 296.304 1.317 50 0 CDAARN Cc1nnc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)s1 ZINC000047988716 175417778 /nfs/dbraw/zinc/41/77/78/175417778.db2.gz TVUVEVUJQSUTFP-SECBINFHSA-N 0 0 297.384 1.179 50 0 CDAARN CC1(C)CCCN1C(=O)c1cc(CN2CCOCC2)on1 ZINC000067678673 175784092 /nfs/dbraw/zinc/78/40/92/175784092.db2.gz WKHVLLXXBJOPGU-UHFFFAOYSA-N 0 0 293.367 1.521 50 0 CDAARN C[C@H]1c2cccn2CCN1C(=O)CCC1=NNC(=O)CC1 ZINC000067833837 175795302 /nfs/dbraw/zinc/79/53/02/175795302.db2.gz YGNLKTYUGYRYNZ-NSHDSACASA-N 0 0 288.351 1.438 50 0 CDAARN CC(C)n1[nH]c(=O)c2c1NC(=O)C[C@@H]2c1cnn(C)c1 ZINC000071279381 176108233 /nfs/dbraw/zinc/10/82/33/176108233.db2.gz BWLXCFMMRXTXTE-SECBINFHSA-N 0 0 275.312 1.614 50 0 CDAARN COC(=O)c1cnc2c(-c3ccc(OC)cc3)cnn2c1N ZINC000071283414 176109248 /nfs/dbraw/zinc/10/92/48/176109248.db2.gz MQBAWDSGGUZIQP-UHFFFAOYSA-N 0 0 298.302 1.774 50 0 CDAARN Cc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000071285802 176109773 /nfs/dbraw/zinc/10/97/73/176109773.db2.gz POSQLGIPRBQONG-NSHDSACASA-N 0 0 284.319 1.358 50 0 CDAARN Cc1nnnn1-c1ccc(C(=O)NCc2ccncc2)cc1 ZINC000071285088 176109790 /nfs/dbraw/zinc/10/97/90/176109790.db2.gz RCXSMALPAPJGNO-UHFFFAOYSA-N 0 0 294.318 1.296 50 0 CDAARN OCc1ccc(-c2nccn2C[C@@H]2COCCO2)o1 ZINC000071746493 176258302 /nfs/dbraw/zinc/25/83/02/176258302.db2.gz YMDUOPKFELZOOE-LLVKDONJSA-N 0 0 264.281 1.051 50 0 CDAARN O=C([O-])c1ccccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000071747395 176258934 /nfs/dbraw/zinc/25/89/34/176258934.db2.gz XDCJPVMVDPHRIC-PYHGIMPFSA-N 0 0 273.332 1.994 50 0 CDAARN CCC[C@@H]1COCCN1S(=O)(=O)NCc1ccccc1 ZINC000071747919 176259005 /nfs/dbraw/zinc/25/90/05/176259005.db2.gz LVVYBYGTOVUSLC-CQSZACIVSA-N 0 0 298.408 1.522 50 0 CDAARN CCC[C@@H]1COCCN1C(=O)c1cnn2cc[nH]c12 ZINC000071758971 176260935 /nfs/dbraw/zinc/26/09/35/176260935.db2.gz AGOHFOVDFZAKSR-SNVBAGLBSA-N 0 0 262.313 1.304 50 0 CDAARN CC(C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000072115927 176318863 /nfs/dbraw/zinc/31/88/63/176318863.db2.gz PVRIXCJJLGGIRX-UHFFFAOYSA-N 0 0 270.354 1.677 50 0 CDAARN COc1cccc(C(=O)N2CCn3cncc3C2)c1C ZINC000072150365 176326217 /nfs/dbraw/zinc/32/62/17/176326217.db2.gz WQYDYTDWVKUGGT-UHFFFAOYSA-N 0 0 271.320 1.856 50 0 CDAARN COc1cccc(F)c1C(=O)N1CCn2cncc2C1 ZINC000072153516 176327995 /nfs/dbraw/zinc/32/79/95/176327995.db2.gz YCJIJULMTCYXND-UHFFFAOYSA-N 0 0 275.283 1.687 50 0 CDAARN CCOC(=O)[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000072267268 176352520 /nfs/dbraw/zinc/35/25/20/176352520.db2.gz AAUQYAVYRMDOAX-ZANVPECISA-N 0 0 255.314 1.807 50 0 CDAARN CS(=O)(=O)N1CCC[C@H]1c1nccnc1Cl ZINC000072343945 176372743 /nfs/dbraw/zinc/37/27/43/176372743.db2.gz WFOLYMUSEIQIOE-ZETCQYMHSA-N 0 0 261.734 1.227 50 0 CDAARN O=C(NCCc1nnc(-c2cccnc2)[nH]1)[C@@H]1CC=CCC1 ZINC000072373548 176384622 /nfs/dbraw/zinc/38/46/22/176384622.db2.gz RKEFNPYLZUDUMU-GFCCVEGCSA-N 0 0 297.362 1.882 50 0 CDAARN OC[C@]1(O)CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072407233 176397650 /nfs/dbraw/zinc/39/76/50/176397650.db2.gz RYNNQDZKDFUYRO-AWEZNQCLSA-N 0 0 299.754 1.388 50 0 CDAARN COC(=O)CC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000077011634 177147345 /nfs/dbraw/zinc/14/73/45/177147345.db2.gz WSZRBHLROKLBBT-JTQLQIEISA-N 0 0 285.340 1.766 50 0 CDAARN CCn1c(N)nc2cc(C(=O)NCC(F)(F)F)cnc21 ZINC000077303633 177250781 /nfs/dbraw/zinc/25/07/81/177250781.db2.gz RWKSGHHJPLGCFL-UHFFFAOYSA-N 0 0 287.245 1.326 50 0 CDAARN Cc1cc(C(=O)N2C[C@@H](O)CO2)c2ccc(C)c(C)c2n1 ZINC000077321666 177252756 /nfs/dbraw/zinc/25/27/56/177252756.db2.gz QMRGWNSKTVTCDB-GFCCVEGCSA-N 0 0 286.331 1.908 50 0 CDAARN CC(=O)c1ccc(NC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 ZINC000077901208 177309092 /nfs/dbraw/zinc/30/90/92/177309092.db2.gz IXIGAZYQHHYQPJ-ZDUSSCGKSA-N 0 0 289.335 1.632 50 0 CDAARN O=C(NCCc1c[nH]cn1)c1ccc(Cn2cccn2)o1 ZINC000078741171 177380101 /nfs/dbraw/zinc/38/01/01/177380101.db2.gz ONIYCCAVWKKFDK-UHFFFAOYSA-N 0 0 285.307 1.220 50 0 CDAARN Cn1cnnc1NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000097379039 544553285 /nfs/dbraw/zinc/55/32/85/544553285.db2.gz RKPGYDDITNQECD-UHFFFAOYSA-N 0 0 286.270 1.392 50 0 CDAARN Cc1ccc2c(cc(C(=O)N3CCN(C)CC3)n2C)c1 ZINC000019991276 260115584 /nfs/dbraw/zinc/11/55/84/260115584.db2.gz YWBITZVFJRAJSC-UHFFFAOYSA-N 0 0 271.364 1.874 50 0 CDAARN CCO[C@H](C)c1nccn1CC(=O)Nc1cc(C)on1 ZINC000089521374 260237437 /nfs/dbraw/zinc/23/74/37/260237437.db2.gz FCEGVMSVLQTYJE-SNVBAGLBSA-N 0 0 278.312 1.916 50 0 CDAARN Cc1csc(CN2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)n1 ZINC000521396519 262587029 /nfs/dbraw/zinc/58/70/29/262587029.db2.gz OFCFQEUFFAIKOY-OUAUKWLOSA-N 0 0 267.398 1.891 50 0 CDAARN CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)N(C)C1=S ZINC000000567240 276355793 /nfs/dbraw/zinc/35/57/93/276355793.db2.gz YYLMVMKRSUUASI-POHAHGRESA-N 0 0 290.344 1.835 50 0 CDAARN CC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O ZINC000008920931 276938958 /nfs/dbraw/zinc/93/89/58/276938958.db2.gz PBQXRIWOSLXXTP-NSHDSACASA-N 0 0 260.293 1.741 50 0 CDAARN CC(=O)N1CCN(c2cc(C)ccc2C)C(=O)[C@@H]1C ZINC000037263309 276996892 /nfs/dbraw/zinc/99/68/92/276996892.db2.gz YNIYPXFMFIPLMH-LBPRGKRZSA-N 0 0 260.337 1.887 50 0 CDAARN CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000000228178 277092040 /nfs/dbraw/zinc/09/20/40/277092040.db2.gz OIESRANVJLFLRM-LURJTMIESA-N 0 0 252.339 1.930 50 0 CDAARN CC(C)(C)C1=NN(C(N)=O)[C@@]2(O)c3ccccc3C(=O)[C@@H]12 ZINC000005187138 277133191 /nfs/dbraw/zinc/13/31/91/277133191.db2.gz SVGBVVRWWJBFPY-ZUZCIYMTSA-N 0 0 287.319 1.441 50 0 CDAARN COC(=O)c1nc2c(cc1Cl)SCC(=O)N2 ZINC000082046916 277172642 /nfs/dbraw/zinc/17/26/42/277172642.db2.gz AFIHSFFRLJYZAX-UHFFFAOYSA-N 0 0 258.686 1.566 50 0 CDAARN CC(C)(C)OC(=O)N1CCc2cnc(N)nc2C1 ZINC000095705134 277194717 /nfs/dbraw/zinc/19/47/17/277194717.db2.gz NAGPTLKYUQPBNW-UHFFFAOYSA-N 0 0 250.302 1.352 50 0 CDAARN CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](CO)C1 ZINC000091303714 277196494 /nfs/dbraw/zinc/19/64/94/277196494.db2.gz KAKGPQPJSNUNBV-JTQLQIEISA-N 0 0 267.329 1.242 50 0 CDAARN CC(C)(C)[C@H]1CN(C=O)[C@@H](C(C)(C)C)CN1C=O ZINC000000332331 277260398 /nfs/dbraw/zinc/26/03/98/277260398.db2.gz GBBYRLWKDUXXGO-VXGBXAGGSA-N 0 0 254.374 1.746 50 0 CDAARN CC(=O)N1CCCC[C@@H]1C(=O)Nc1cnn(C)c1C ZINC000408073668 277992225 /nfs/dbraw/zinc/99/22/25/277992225.db2.gz RANPJFDSYPDOSC-GFCCVEGCSA-N 0 0 264.329 1.068 50 0 CDAARN C[C@@H]1[C@H](N2CCOCC2)CCN1Cc1nccs1 ZINC000377733687 278101171 /nfs/dbraw/zinc/10/11/71/278101171.db2.gz YFIIRHPUKMTTBA-VXGBXAGGSA-N 0 0 267.398 1.438 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(CCNC(=O)C2)CC1 ZINC000095933581 278384270 /nfs/dbraw/zinc/38/42/70/278384270.db2.gz NICATZPYVMNDQX-UHFFFAOYSA-N 0 0 268.357 1.914 50 0 CDAARN Cc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)[C@@H](C)O2 ZINC000001362156 278879593 /nfs/dbraw/zinc/87/95/93/278879593.db2.gz IKRWMMCDTXSAAI-GFCCVEGCSA-N 0 0 288.347 1.731 50 0 CDAARN Cc1nn(C)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000066091458 279203088 /nfs/dbraw/zinc/20/30/88/279203088.db2.gz VKYJNBMDTOJUER-SNVBAGLBSA-N 0 0 285.303 1.931 50 0 CDAARN CCN(Cc1c(Cl)cncc1Cl)[C@H]1COC[C@@H]1O ZINC000215296587 279233393 /nfs/dbraw/zinc/23/33/93/279233393.db2.gz OVIXXVVNBIOYNC-RYUDHWBXSA-N 0 0 291.178 1.970 50 0 CDAARN Cn1cc(NC(=O)c2ccn[nH]2)cc(Br)c1=O ZINC000084314346 279345156 /nfs/dbraw/zinc/34/51/56/279345156.db2.gz HXQNPDDYVIIXHS-UHFFFAOYSA-N 0 0 297.112 1.123 50 0 CDAARN Cn1nc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)ccc1=O ZINC000098018861 279396795 /nfs/dbraw/zinc/39/67/95/279396795.db2.gz RBMPSHXLVAAVOS-GHMZBOCLSA-N 0 0 261.325 1.043 50 0 CDAARN O=C(C[C@H]1CSc2nccc(=O)n21)Nc1nccs1 ZINC000012236306 279797041 /nfs/dbraw/zinc/79/70/41/279797041.db2.gz QAHKWIXHFLLSNG-ZETCQYMHSA-N 0 0 294.361 1.375 50 0 CDAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000006698086 288199404 /nfs/dbraw/zinc/19/94/04/288199404.db2.gz TUWLXLVDRXDNQB-LBPRGKRZSA-N 0 0 296.392 1.739 50 0 CDAARN CC[C@H](C(=O)N1C[C@H](C)OC[C@H]1C)N1CCCC1=O ZINC000245603462 280223694 /nfs/dbraw/zinc/22/36/94/280223694.db2.gz GYMOHCHAQNDJBK-GRYCIOLGSA-N 0 0 268.357 1.023 50 0 CDAARN O=C1c2ccccc2N[C@H]2c3ccccc3S(=O)(=O)N12 ZINC000221275307 280332514 /nfs/dbraw/zinc/33/25/14/280332514.db2.gz AQUBCEYHEGARJF-CYBMUJFWSA-N 0 0 286.312 1.955 50 0 CDAARN O=C1c2ccccc2[C@]2(O)OC(=O)c3ccccc3N12 ZINC000000100939 280332613 /nfs/dbraw/zinc/33/26/13/280332613.db2.gz WIBNFFCZZQJGET-HNNXBMFYSA-N 0 0 267.240 1.620 50 0 biogenic CDAARN O=c1[nH]c2ccc(I)cc2c(=O)o1 ZINC000001635485 280387094 /nfs/dbraw/zinc/38/70/94/280387094.db2.gz JHQFCSRQZPCIHR-UHFFFAOYSA-N 0 0 289.028 1.086 50 0 CDAARN O=S(=O)(NCC[C@@H]1CCCOC1)N1CCCCCC1 ZINC000528449850 281234335 /nfs/dbraw/zinc/23/43/35/281234335.db2.gz NDNVYNDFDXOIHV-ZDUSSCGKSA-N 0 0 290.429 1.514 50 0 CDAARN CC1(C)CNC(=O)c2[nH]c([C@H]3CCCOC3)nc2C1 ZINC000095388223 281278643 /nfs/dbraw/zinc/27/86/43/281278643.db2.gz WBUVOTPFWYNHJM-VIFPVBQESA-N 0 0 263.341 1.616 50 0 CDAARN CN(C)C(=O)c1ccc(N(C)C[C@H]2CCCO2)nc1 ZINC000267214726 282005150 /nfs/dbraw/zinc/00/51/50/282005150.db2.gz MLCTVLYJJRKFRE-GFCCVEGCSA-N 0 0 263.341 1.399 50 0 CDAARN C[C@@]1(NC(=O)c2cc(F)cc3cccnc32)CCOC1=O ZINC000291420123 289198692 /nfs/dbraw/zinc/19/86/92/289198692.db2.gz KHVKEUHXTFBQCG-OAHLLOKOSA-N 0 0 288.278 1.809 50 0 CDAARN C[C@@]1(c2ccccc2Br)NC(=O)NC1=O ZINC000003374691 289217245 /nfs/dbraw/zinc/21/72/45/289217245.db2.gz YSQLGMDDAXPBON-JTQLQIEISA-N 0 0 269.098 1.504 50 0 CDAARN CNC(=O)CCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C ZINC000095518099 290393921 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/nfs/dbraw/zinc/67/40/15/367674015.db2.gz DYCPITVBZYRDHD-GRYCIOLGSA-N 0 0 274.430 1.788 50 0 CDAARN O=C(CNC(=O)c1cccs1)Nc1ncccc1O ZINC000012527886 367689206 /nfs/dbraw/zinc/68/92/06/367689206.db2.gz WVBCKNGXVUHXPZ-UHFFFAOYSA-N 0 0 277.305 1.217 50 0 CDAARN CO[C@H]1CCN(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000282730721 368012228 /nfs/dbraw/zinc/01/22/28/368012228.db2.gz UZHAAPRBGYPENS-QMMMGPOBSA-N 0 0 299.377 1.101 50 0 CDAARN Cn1cc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cn1 ZINC000012532069 368100991 /nfs/dbraw/zinc/10/09/91/368100991.db2.gz YDKMLQUCAXXZKU-CQSZACIVSA-N 0 0 295.346 1.857 50 0 CDAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)n[nH]1 ZINC000252549503 368154543 /nfs/dbraw/zinc/15/45/43/368154543.db2.gz RJOLKCUEKZNUBR-CABZTGNLSA-N 0 0 253.346 1.670 50 0 CDAARN CO[C@@H]1CCCC[C@H]1OC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000252584844 368161887 /nfs/dbraw/zinc/16/18/87/368161887.db2.gz DFBNFRNARKKRMX-QJPTWQEYSA-N 0 0 284.356 1.278 50 0 CDAARN O=C(NCCO)c1cccc(NC[C@H]2CCC=CO2)c1 ZINC000241368004 369046070 /nfs/dbraw/zinc/04/60/70/369046070.db2.gz MJGVHAIEHORECX-CQSZACIVSA-N 0 0 276.336 1.513 50 0 CDAARN O=C(NCCCc1cnc2ncnn2c1)c1cccc(F)c1 ZINC000225644887 189760738 /nfs/dbraw/zinc/76/07/38/189760738.db2.gz UTAKAQSSEWBYLA-UHFFFAOYSA-N 0 0 299.309 1.626 50 0 CDAARN Cc1nc2[nH]c(NC(=O)C3CCCCC3)nn2c(=O)c1C ZINC000100650758 291462359 /nfs/dbraw/zinc/46/23/59/291462359.db2.gz WIOUACLEPWGJFI-UHFFFAOYSA-N 0 0 289.339 1.553 50 0 CDAARN CC1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000012591777 370966001 /nfs/dbraw/zinc/96/60/01/370966001.db2.gz XTRCGCWOWJVFLW-UHFFFAOYSA-N 0 0 297.380 1.598 50 0 CDAARN COC[C@@H]1C[C@H](OC)CN1C(=O)c1cc(O)ccc1Cl ZINC000290934828 370103533 /nfs/dbraw/zinc/10/35/33/370103533.db2.gz PGCZNAQBZQIPJR-ONGXEEELSA-N 0 0 299.754 1.922 50 0 CDAARN CC[C@@H](Cn1ccnc1)NC(=O)Nc1nc(C)ns1 ZINC000063848680 370121016 /nfs/dbraw/zinc/12/10/16/370121016.db2.gz ULFZAKUZAGVMEJ-VIFPVBQESA-N 0 0 280.357 1.643 50 0 CDAARN C[C@@]1(c2ccccc2)CN(C(=O)c2cc[nH]n2)CCO1 ZINC000089919548 370196294 /nfs/dbraw/zinc/19/62/94/370196294.db2.gz GZYMKQUHCYCYEG-HNNXBMFYSA-N 0 0 271.320 1.798 50 0 CDAARN Cc1nc(C2=C(N)N(C[C@@H](C)O)CC2=O)sc1C ZINC000102120461 370395124 /nfs/dbraw/zinc/39/51/24/370395124.db2.gz RSBABPHPHOJAEE-ZCFIWIBFSA-N 0 0 267.354 1.703 50 0 CDAARN NC(=O)[C@@H]1CCCN1c1ncccc1C(F)(F)F ZINC000575607954 370623347 /nfs/dbraw/zinc/62/33/47/370623347.db2.gz USNIHOPGOZHIIE-QMMMGPOBSA-N 0 0 259.231 1.555 50 0 CDAARN O=C(N[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1)C1CCC1 ZINC000012594640 371056634 /nfs/dbraw/zinc/05/66/34/371056634.db2.gz NOWNBEBGWRYCAB-CQSZACIVSA-N 0 0 290.338 1.843 50 0 CDAARN c1nnc2ccc(N3CCO[C@@H](Cc4ccccc4)C3)nn12 ZINC000294931285 371107089 /nfs/dbraw/zinc/10/70/89/371107089.db2.gz JBFNBLPOTWJCCJ-AWEZNQCLSA-N 0 0 295.346 1.572 50 0 CDAARN O=C(NC[C@H](OCCO)c1ccsc1)c1ccco1 ZINC000575621793 372062620 /nfs/dbraw/zinc/06/26/20/372062620.db2.gz URNNGTNBXKPXIL-LBPRGKRZSA-N 0 0 281.333 1.821 50 0 CDAARN CN(CCNC(=O)c1ccc(=O)[nH]c1)c1ccccc1 ZINC000012611833 372066376 /nfs/dbraw/zinc/06/63/76/372066376.db2.gz VYSLHFCTYSOHIH-UHFFFAOYSA-N 0 0 271.320 1.241 50 0 CDAARN CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@H]1C[C@H](C)OC1=O ZINC000252678621 372227731 /nfs/dbraw/zinc/22/77/31/372227731.db2.gz GKCAGQWZLZMQEY-CRWXNKLISA-N 0 0 296.411 1.563 50 0 CDAARN Cc1cc(C(=O)NCc2cccc(CO)n2)ns1 ZINC000580724272 372279002 /nfs/dbraw/zinc/27/90/02/372279002.db2.gz XABLTJIQVPIZBU-UHFFFAOYSA-N 0 0 263.322 1.269 50 0 CDAARN COC(=O)c1nc(Br)cnc1Cl ZINC000087493334 372359242 /nfs/dbraw/zinc/35/92/42/372359242.db2.gz ZDLDHAIWCZRNOT-UHFFFAOYSA-N 0 0 251.467 1.679 50 0 CDAARN CC(C)c1nc(CNC(=O)CCCn2cnnn2)cs1 ZINC000299765736 372748574 /nfs/dbraw/zinc/74/85/74/372748574.db2.gz CKZPPYRXQPMNNB-UHFFFAOYSA-N 0 0 294.384 1.350 50 0 CDAARN CSCCN1CCN(C(=O)c2cc(=O)cc(C)o2)CC1 ZINC000299768431 372750446 /nfs/dbraw/zinc/75/04/46/372750446.db2.gz KTEDVFVQFCLXDQ-UHFFFAOYSA-N 0 0 296.392 1.069 50 0 CDAARN Cc1nc(CN2CCN(C(=O)c3ccco3)CC2)[nH]c1C ZINC000299774258 372753159 /nfs/dbraw/zinc/75/31/59/372753159.db2.gz BAVGKCVYJNQFCJ-UHFFFAOYSA-N 0 0 288.351 1.578 50 0 CDAARN CNC(=O)[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000299786094 372761681 /nfs/dbraw/zinc/76/16/81/372761681.db2.gz RAOCNYWFJRAACT-VIFPVBQESA-N 0 0 281.743 1.940 50 0 CDAARN CCCc1noc([C@H](C)NC(=O)c2nccn2C)n1 ZINC000299794371 372766734 /nfs/dbraw/zinc/76/67/34/372766734.db2.gz JRHDZJTYCYZBQH-QMMMGPOBSA-N 0 0 263.301 1.247 50 0 CDAARN O=C(CCc1ccsc1)N1CCN(c2nc[nH]n2)CC1 ZINC000299796265 372769420 /nfs/dbraw/zinc/76/94/20/372769420.db2.gz NNKRLINWBMMCOL-UHFFFAOYSA-N 0 0 291.380 1.148 50 0 CDAARN CCc1ocnc1C(=O)N1CC[C@@H](c2nc(C)no2)C1 ZINC000299800292 372771321 /nfs/dbraw/zinc/77/13/21/372771321.db2.gz VOQGGTZRAUICPM-SECBINFHSA-N 0 0 276.296 1.558 50 0 CDAARN Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)C1CC=CC1 ZINC000241126160 189903830 /nfs/dbraw/zinc/90/38/30/189903830.db2.gz JJYCCOKFUDZBSB-AAEUAGOBSA-N 0 0 261.325 1.333 50 0 CDAARN Cn1cc([C@@H](O)C(=O)OCCOc2ccccc2F)cn1 ZINC000240333306 189902515 /nfs/dbraw/zinc/90/25/15/189902515.db2.gz FCXSLYLKMIWBIY-CYBMUJFWSA-N 0 0 294.282 1.215 50 0 CDAARN Cc1cncc(CNC(=O)N[C@H]2CCO[C@H]2C2CC2)c1 ZINC000242292523 189905609 /nfs/dbraw/zinc/90/56/09/189905609.db2.gz YMXMLNLQPOIIAY-KBPBESRZSA-N 0 0 275.352 1.757 50 0 CDAARN CCSCCC(=O)N(CC)Cc1nc(C)no1 ZINC000244764172 189911852 /nfs/dbraw/zinc/91/18/52/189911852.db2.gz PCOYACPKPPNTKK-UHFFFAOYSA-N 0 0 257.359 1.870 50 0 CDAARN CN1c2ccccc2[C@]2(C)C(=O)C(=O)N[C@@]12c1ccccc1 ZINC000004114187 373329392 /nfs/dbraw/zinc/32/93/92/373329392.db2.gz USDCEIGBOLFOKD-MSOLQXFVSA-N 0 0 292.338 1.946 50 0 CDAARN COC[C@@H]1CN(C(=O)c2cccn2C)C[C@H]1c1ccccn1 ZINC000253412731 373720583 /nfs/dbraw/zinc/72/05/83/373720583.db2.gz RVBCSPGVWBYJGH-UONOGXRCSA-N 0 0 299.374 1.922 50 0 CDAARN CC(C)(C)OC(=O)CN1CCN(CC(F)(F)F)C(=O)C1 ZINC000253417504 373726015 /nfs/dbraw/zinc/72/60/15/373726015.db2.gz HOBAVRDDMKPLNL-UHFFFAOYSA-N 0 0 296.289 1.035 50 0 CDAARN Cc1nscc1C(=O)O[C@@]1(C)CCS(=O)(=O)C1 ZINC000253424715 373731716 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358913612 /nfs/dbraw/zinc/91/36/12/358913612.db2.gz VSOFPWDVJDXMDH-UHFFFAOYSA-N 0 0 299.378 1.285 50 0 CDAARN C[NH+](C)C[C@@]1(O)CCCN(Cc2ccccc2C(=O)[O-])C1 ZINC000215221364 358879704 /nfs/dbraw/zinc/87/97/04/358879704.db2.gz SSDVOLKSIYHVER-INIZCTEOSA-N 0 0 292.379 1.273 50 0 CDAARN O=C([C@H]1CCCCO1)N1CCN(Cc2ccco2)CC1 ZINC000216101437 358925127 /nfs/dbraw/zinc/92/51/27/358925127.db2.gz CXRMPOJLHAFGQK-CQSZACIVSA-N 0 0 278.352 1.493 50 0 CDAARN CCCO[C@H]1CCCN(C(=O)c2ncccc2O)C1 ZINC000042425315 358945585 /nfs/dbraw/zinc/94/55/85/358945585.db2.gz MERNFBPQFGZIEW-NSHDSACASA-N 0 0 264.325 1.818 50 0 CDAARN COc1ccc(F)c(F)c1CN1CCC[C@@](O)(CO)C1 ZINC000216478390 358946383 /nfs/dbraw/zinc/94/63/83/358946383.db2.gz UOSKNEJQGAUQRF-AWEZNQCLSA-N 0 0 287.306 1.293 50 0 CDAARN COC[C@@H]1[C@H](NC(=O)Cc2ccsc2)[C@@H]2CCO[C@H]12 ZINC000218925925 359071238 /nfs/dbraw/zinc/07/12/38/359071238.db2.gz NCDUFFIPYNACNA-UNJBNNCHSA-N 0 0 281.377 1.457 50 0 CDAARN CC[C@H](NC(=O)c1ccc(O)cc1F)C1CC(O)C1 ZINC000218982409 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O=C(NC[C@H](OCCO)c1cccs1)c1ccoc1 ZINC000575621819 372062340 /nfs/dbraw/zinc/06/23/40/372062340.db2.gz VEHAIJPUAPBRCF-NSHDSACASA-N 0 0 281.333 1.821 50 0 CDAARN CSC[C@@H](C)C(=O)Nc1cc(CCO)ccn1 ZINC000580783530 372692085 /nfs/dbraw/zinc/69/20/85/372692085.db2.gz JDUGAGQZRTXZOT-SECBINFHSA-N 0 0 254.355 1.554 50 0 CDAARN COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3ccccc32)CN1 ZINC000299760313 372746481 /nfs/dbraw/zinc/74/64/81/372746481.db2.gz FLIANXOPYVIZFN-WFASDCNBSA-N 0 0 298.342 1.473 50 0 CDAARN CCCn1cc(NC(=O)N[C@@H](CC)COC)nn1 ZINC000299758347 372746499 /nfs/dbraw/zinc/74/64/99/372746499.db2.gz LWALQNKCJSIOCO-VIFPVBQESA-N 0 0 255.322 1.235 50 0 CDAARN CCc1csc(CCNC(=O)[C@H](O)CCSC)n1 ZINC000299758869 372746521 /nfs/dbraw/zinc/74/65/21/372746521.db2.gz DUICCPRKFPUFAP-SNVBAGLBSA-N 0 0 288.438 1.478 50 0 CDAARN CCCNC(=O)[C@H](C)N1CC(Oc2cccc(OC)c2)C1 ZINC000299768785 372750982 /nfs/dbraw/zinc/75/09/82/372750982.db2.gz KOAIYJPZRLXXDQ-LBPRGKRZSA-N 0 0 292.379 1.673 50 0 CDAARN CCCn1ncnc1[C@@H](C)NC(=O)c1csc(C)n1 ZINC000299790365 372765311 /nfs/dbraw/zinc/76/53/11/372765311.db2.gz BLUFQBIBOGAWJY-MRVPVSSYSA-N 0 0 279.369 1.944 50 0 CDAARN CC(C)(C)c1cc(CNC(=O)[C@@H]2CCCCO2)[nH]n1 ZINC000299773349 372752042 /nfs/dbraw/zinc/75/20/42/372752042.db2.gz FITNWYGWQNUCMQ-NSHDSACASA-N 0 0 265.357 1.893 50 0 CDAARN Cc1cc(CNC(=O)CN2CCCCCC2=O)cnc1C ZINC000299776524 372754520 /nfs/dbraw/zinc/75/45/20/372754520.db2.gz CMTRLIKNLGVMQO-UHFFFAOYSA-N 0 0 289.379 1.717 50 0 CDAARN CC(C)[N@@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)[O-])C1 ZINC000299778950 372757315 /nfs/dbraw/zinc/75/73/15/372757315.db2.gz QWOIRIQWRDOGDI-UONOGXRCSA-N 0 0 284.400 1.282 50 0 CDAARN Cc1cc(C(=O)NCCc2nncn2C(C)C)nc(C)n1 ZINC000299783965 372760511 /nfs/dbraw/zinc/76/05/11/372760511.db2.gz YBGMOZIUEHYGNM-UHFFFAOYSA-N 0 0 288.355 1.238 50 0 CDAARN Cc1nn[nH]c1C(=O)N[C@@H](C)Cc1ncccc1C ZINC000299793186 372766839 /nfs/dbraw/zinc/76/68/39/372766839.db2.gz GXNFXMXGPZIYQK-VIFPVBQESA-N 0 0 259.313 1.178 50 0 CDAARN COc1cccc(Nc2cc(C)nc3ncnn32)c1 ZINC000102491745 373098366 /nfs/dbraw/zinc/09/83/66/373098366.db2.gz ZXACWALACOLMBB-SFQUDFHCSA-N 0 0 255.281 1.607 50 0 CDAARN Cc1cc(CCNC(=O)Cc2ccsc2)nn1C ZINC000253407581 373704967 /nfs/dbraw/zinc/70/49/67/373704967.db2.gz WPNMAAYTXQBDNR-UHFFFAOYSA-N 0 0 263.366 1.691 50 0 CDAARN COC[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1c1ccncc1 ZINC000253412108 373721112 /nfs/dbraw/zinc/72/11/12/373721112.db2.gz PXHGLDFCWZBSTN-STQMWFEESA-N 0 0 286.335 1.307 50 0 CDAARN Cc1noc([C@@H]2CC(F)(F)CN2C(=O)c2nccn2C)n1 ZINC000253412211 373721790 /nfs/dbraw/zinc/72/17/90/373721790.db2.gz QFDIEDKRVWZLCQ-QMMMGPOBSA-N 0 0 297.265 1.334 50 0 CDAARN COc1ccc(C(=O)N2CCC(F)(F)[C@@H](CO)C2)cn1 ZINC000253413871 373723274 /nfs/dbraw/zinc/72/32/74/373723274.db2.gz VWTXQNRPFPBPJV-SNVBAGLBSA-N 0 0 286.278 1.180 50 0 CDAARN O=C(c1ccc(Cl)s1)N1CCOC[C@H]1c1ncon1 ZINC000253426573 373733786 /nfs/dbraw/zinc/73/37/86/373733786.db2.gz XUQMSAFDZYQRAX-ZETCQYMHSA-N 0 0 299.739 1.998 50 0 CDAARN CCc1nc2sc3c(c2c(=O)n1CCO)CCC3 ZINC000002311759 373754795 /nfs/dbraw/zinc/75/47/95/373754795.db2.gz SGLFEOJPAJFHKD-UHFFFAOYSA-N 0 0 264.350 1.501 50 0 CDAARN CC[C@H](CNC(=O)[C@H]1CSCN1)Oc1ccccc1C ZINC000121837758 373839470 /nfs/dbraw/zinc/83/94/70/373839470.db2.gz UZQLTTQKMYZHRD-CHWSQXEVSA-N 0 0 294.420 1.931 50 0 CDAARN CN(C)c1cccc(C(=O)N2CC[C@@H](c3ncon3)C2)c1 ZINC000253471086 373798595 /nfs/dbraw/zinc/79/85/95/373798595.db2.gz AZIAIDVSMCAFCL-GFCCVEGCSA-N 0 0 286.335 1.765 50 0 CDAARN COC(=O)[C@@H](NCCCn1ccnc1)c1ccccc1 ZINC000047979083 373979986 /nfs/dbraw/zinc/97/99/86/373979986.db2.gz VDWDXSLEBUIPMM-AWEZNQCLSA-N 0 0 273.336 1.777 50 0 CDAARN Cc1c(C(=O)NCc2ccco2)nnn1-c1nccs1 ZINC000049032388 373981620 /nfs/dbraw/zinc/98/16/20/373981620.db2.gz PVLAHSLUOQYMIN-UHFFFAOYSA-N 0 0 289.320 1.555 50 0 CDAARN CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccccc1 ZINC000013001873 374085779 /nfs/dbraw/zinc/08/57/79/374085779.db2.gz VJJUKSDMEKHHDK-UHFFFAOYSA-N 0 0 282.343 1.987 50 0 CDAARN COc1ncc(NC(=O)c2ccco2)c(N(C)C)n1 ZINC000206729464 374179327 /nfs/dbraw/zinc/17/93/27/374179327.db2.gz LELCEGZRFODPDM-UHFFFAOYSA-N 0 0 262.269 1.397 50 0 CDAARN C[C@@H](Oc1ccccc1)C(=O)NCCn1ccn2nccc12 ZINC000206742806 374198772 /nfs/dbraw/zinc/19/87/72/374198772.db2.gz RMEBACRKJKKSKF-CYBMUJFWSA-N 0 0 298.346 1.720 50 0 CDAARN C[C@H](NS(=O)(=O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000028326674 374464510 /nfs/dbraw/zinc/46/45/10/374464510.db2.gz LUEYHLONMUVGGT-CABZTGNLSA-N 0 0 273.329 1.672 50 0 CDAARN O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CCOC1 ZINC000019770550 374786493 /nfs/dbraw/zinc/78/64/93/374786493.db2.gz IBKIXGXQBQTJRM-CQSZACIVSA-N 0 0 289.375 1.888 50 0 CDAARN COc1ccc(C(=O)N[C@@H](C)Cn2nc(C)cc2C)o1 ZINC000019782099 374788196 /nfs/dbraw/zinc/78/81/96/374788196.db2.gz CZYBUXMOHQZQFQ-JTQLQIEISA-N 0 0 277.324 1.920 50 0 CDAARN COC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000252538709 189981130 /nfs/dbraw/zinc/98/11/30/189981130.db2.gz NERYXAZSHAQKSM-SNVBAGLBSA-N 0 0 271.338 1.323 50 0 CDAARN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000252538718 189981205 /nfs/dbraw/zinc/98/12/05/189981205.db2.gz NFWPXIRHGFSMDY-NOZJJQNGSA-N 0 0 265.357 1.188 50 0 CDAARN OC[C@@H](O)CSCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000095412682 374916938 /nfs/dbraw/zinc/91/69/38/374916938.db2.gz YVUQUHAHMORWRX-GFCCVEGCSA-N 0 0 299.783 1.507 50 0 CDAARN NC(=O)[C@H]1CCCC[C@H]1Nc1ccc2nccnc2n1 ZINC000095415870 374917585 /nfs/dbraw/zinc/91/75/85/374917585.db2.gz GGWORVCWLADHLG-VHSXEESVSA-N 0 0 271.324 1.481 50 0 CDAARN Cc1ccc2oc(N3C[C@H](CO)OC[C@@H]3C)nc2c1 ZINC000095421453 374923008 /nfs/dbraw/zinc/92/30/08/374923008.db2.gz QNPSEIUJDAKTNJ-WDEREUQCSA-N 0 0 262.309 1.722 50 0 CDAARN O=C(N[C@@H]1CCOC1)c1csc(NC2CC2)n1 ZINC000095434893 374935956 /nfs/dbraw/zinc/93/59/56/374935956.db2.gz KNRHXODQEXLHNH-MRVPVSSYSA-N 0 0 253.327 1.236 50 0 CDAARN O=C(CC1(O)CCCCC1)NCCC1=CCOCC1 ZINC000095436348 374937564 /nfs/dbraw/zinc/93/75/64/374937564.db2.gz UVCWAMMBOSCGOS-UHFFFAOYSA-N 0 0 267.369 1.925 50 0 CDAARN Cc1ccc(Cl)c(OC[C@H](O)CN2CCOCC2)c1 ZINC000095439019 374938869 /nfs/dbraw/zinc/93/88/69/374938869.db2.gz DKVCGAVATQOXKA-GFCCVEGCSA-N 0 0 285.771 1.720 50 0 CDAARN CC(C)n1nnc(-c2ccc(C(=O)Nc3nc[nH]n3)cc2)n1 ZINC000095479442 374969979 /nfs/dbraw/zinc/96/99/79/374969979.db2.gz YCRQENOXMFJCMS-UHFFFAOYSA-N 0 0 298.310 1.291 50 0 CDAARN CS[C@@H](CO)[C@H](C)NS(=O)(=O)Cc1ccccc1 ZINC000095443845 374944170 /nfs/dbraw/zinc/94/41/70/374944170.db2.gz HVQOMSCALARCOH-JQWIXIFHSA-N 0 0 289.422 1.218 50 0 CDAARN CCOCC(=O)Nc1cccc(-n2cnnc2C)c1 ZINC000095450793 374950356 /nfs/dbraw/zinc/95/03/56/374950356.db2.gz JHRLBVADNQDRRU-UHFFFAOYSA-N 0 0 260.297 1.551 50 0 CDAARN COC[C@@](C)(NCc1ccc(F)cc1)C(=O)OC ZINC000095454704 374952099 /nfs/dbraw/zinc/95/20/99/374952099.db2.gz MDYUYOQKSPCEOX-CYBMUJFWSA-N 0 0 255.289 1.493 50 0 CDAARN CC(C)(CCCO)CNC(=O)NCc1cccnc1 ZINC000095458694 374956038 /nfs/dbraw/zinc/95/60/38/374956038.db2.gz LDOOPLZOFDTPKJ-UHFFFAOYSA-N 0 0 265.357 1.680 50 0 CDAARN CCc1nc(CN2CCCC[C@@H]2Cn2ccnn2)no1 ZINC000095459737 374958416 /nfs/dbraw/zinc/95/84/16/374958416.db2.gz BFDDCNHBFQWTJF-LLVKDONJSA-N 0 0 276.344 1.278 50 0 CDAARN Cc1cc(C(=O)N2CCC(c3cc(C)n[nH]3)CC2)[nH]n1 ZINC000095464794 374959699 /nfs/dbraw/zinc/95/96/99/374959699.db2.gz IVWJSNMVRSVTAZ-UHFFFAOYSA-N 0 0 273.340 1.769 50 0 CDAARN O=C(Nc1n[nH]c2cccc(F)c21)c1ccc2nnnn2c1 ZINC000095475334 374968069 /nfs/dbraw/zinc/96/80/69/374968069.db2.gz XGSAPAZRCJLUKZ-UHFFFAOYSA-N 0 0 297.253 1.392 50 0 CDAARN C[C@@H]1CCN(C(=O)NCC(C)(C)S(C)(=O)=O)[C@@H](C)C1 ZINC000095407396 374909289 /nfs/dbraw/zinc/90/92/89/374909289.db2.gz DIWHOQXYZNGIDH-MNOVXSKESA-N 0 0 290.429 1.640 50 0 CDAARN COc1nnc(NC(=O)NCCc2ccc(O)cc2)s1 ZINC000282904775 375104556 /nfs/dbraw/zinc/10/45/56/375104556.db2.gz UOGJCNTZERLLKR-UHFFFAOYSA-N 0 0 294.336 1.617 50 0 CDAARN Cc1cc(N2CCN(C(=O)Cc3ccccn3)CC2)ncn1 ZINC000095973028 375045011 /nfs/dbraw/zinc/04/50/11/375045011.db2.gz SFFQPFUQDVEIGO-UHFFFAOYSA-N 0 0 297.362 1.071 50 0 CDAARN CC(C)[C@H](NC(=O)NC1CC1)c1nc(-c2nc[nH]n2)no1 ZINC000095972966 375045708 /nfs/dbraw/zinc/04/57/08/375045708.db2.gz SGAXIOATFNHGTP-QMMMGPOBSA-N 0 0 291.315 1.013 50 0 CDAARN CN(Cc1nnc2n1CCC2)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000095987298 375048624 /nfs/dbraw/zinc/04/86/24/375048624.db2.gz DASBTRUGNFYNKV-CJNGLKHVSA-N 0 0 284.363 1.314 50 0 CDAARN CCN(C)S(=O)(=O)c1c(C)nn(CCCOC)c1C ZINC000097114845 375149460 /nfs/dbraw/zinc/14/94/60/375149460.db2.gz HRSBMBKPVPOGIK-UHFFFAOYSA-N 0 0 289.401 1.177 50 0 CDAARN Cn1cc(C(=O)N2CC[C@@H](Oc3ccc(F)cc3)C2)cn1 ZINC000097108000 375149498 /nfs/dbraw/zinc/14/94/98/375149498.db2.gz OOKDWVZFLIPKCT-CQSZACIVSA-N 0 0 289.310 1.853 50 0 CDAARN COc1ccc(CCC(=O)N[C@@H]2CCc3nccn3C2)cc1 ZINC000097197588 375152661 /nfs/dbraw/zinc/15/26/61/375152661.db2.gz PEBRRVBMDKVWOH-CQSZACIVSA-N 0 0 299.374 1.956 50 0 CDAARN C[C@@H]1CN(C(=O)N(C)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000253397941 189988391 /nfs/dbraw/zinc/98/83/91/189988391.db2.gz HFCJQDCHJDMKDN-IUODEOHRSA-N 0 0 282.384 1.861 50 0 CDAARN Cc1nn(CC(=O)Nc2ccon2)c(C)c1Br ZINC000027981806 375168038 /nfs/dbraw/zinc/16/80/38/375168038.db2.gz GYQVLDMEQPACIL-UHFFFAOYSA-N 0 0 299.128 1.889 50 0 CDAARN O=C(NC[C@H](O)c1cccc2ccccc21)N1CCNC1=O ZINC000225617983 375172634 /nfs/dbraw/zinc/17/26/34/375172634.db2.gz YTFXJOZSSYYALL-AWEZNQCLSA-N 0 0 299.330 1.608 50 0 CDAARN O=C(CN1C(=O)C(=O)c2ccccc21)Nc1ccccc1F ZINC000002502891 375174329 /nfs/dbraw/zinc/17/43/29/375174329.db2.gz DMTLMTSSWHVWCY-UHFFFAOYSA-N 0 0 298.273 1.994 50 0 CDAARN CCn1cc([C@@H]2OCC[C@@H]2CN[C@H]2C[C@@H](C)OC2=O)cn1 ZINC000299754205 375211248 /nfs/dbraw/zinc/21/12/48/375211248.db2.gz SFKLBHGTEOEJHA-MHDGFBEUSA-N 0 0 293.367 1.274 50 0 CDAARN O=C(COC(=O)C1CC1)NCCCc1ccccc1 ZINC000002625727 375276385 /nfs/dbraw/zinc/27/63/85/375276385.db2.gz JHTRZTPIBWCFAR-UHFFFAOYSA-N 0 0 261.321 1.689 50 0 CDAARN COc1ccccc1CNC(=O)c1nnsc1C ZINC000028576707 375281744 /nfs/dbraw/zinc/28/17/44/375281744.db2.gz YVFUJCLZGIBKEP-UHFFFAOYSA-N 0 0 263.322 1.785 50 0 CDAARN O=c1[nH]c2ccc(NC(=S)NC[C@H]3CCCO3)cc2[nH]1 ZINC000002642881 375284112 /nfs/dbraw/zinc/28/41/12/375284112.db2.gz HMVMSNJUHNDISY-SECBINFHSA-N 0 0 292.364 1.322 50 0 CDAARN CCOC(=O)N1CCN(C(=O)Cc2ccsc2)CC1 ZINC000002659515 375290645 /nfs/dbraw/zinc/29/06/45/375290645.db2.gz MRYKTNIPACAHFU-UHFFFAOYSA-N 0 0 282.365 1.591 50 0 CDAARN Cc1nn(C)cc1NC(=O)c1c(Cl)cnn1C ZINC000002781513 375326788 /nfs/dbraw/zinc/32/67/88/375326788.db2.gz KFEUCRBYUPBCHK-UHFFFAOYSA-N 0 0 253.693 1.368 50 0 CDAARN CNC(=S)NCCCn1nc(C(F)(F)F)cc1C ZINC000002775090 375323380 /nfs/dbraw/zinc/32/33/80/375323380.db2.gz OPCPVKVNWWVNLH-UHFFFAOYSA-N 0 0 280.319 1.694 50 0 CDAARN COc1cccc(CC(=O)N2CC[C@@H](c3ncon3)C2)c1 ZINC000253472040 189993182 /nfs/dbraw/zinc/99/31/82/189993182.db2.gz ILRCVQAWHANRCI-GFCCVEGCSA-N 0 0 287.319 1.637 50 0 CDAARN COc1ccc(/C=C/C(=O)O[C@@H]2CCOC2=O)cc1 ZINC000002617036 375273240 /nfs/dbraw/zinc/27/32/40/375273240.db2.gz FVKLYTDJZXSMHV-RPTYSRGTSA-N 0 0 262.261 1.567 50 0 CDAARN CC(C)C[C@@H](N)c1nnc(SCC(=O)N(C)C)o1 ZINC000001245966 375353695 /nfs/dbraw/zinc/35/36/95/375353695.db2.gz WGTXOTYYNIENOM-MRVPVSSYSA-N 0 0 272.374 1.296 50 0 CDAARN O=C(COC(=O)c1ccccc1O)N1CCCCC1 ZINC000003235023 375597678 /nfs/dbraw/zinc/59/76/78/375597678.db2.gz YSVRTHNMDUYMAD-UHFFFAOYSA-N 0 0 263.293 1.562 50 0 CDAARN CC[C@@]1(C)CN(C(=O)N[C@@H](COC)C2CC2)CCO1 ZINC000188224989 375647397 /nfs/dbraw/zinc/64/73/97/375647397.db2.gz GZEOZMNTFQTNSQ-JSGCOSHPSA-N 0 0 270.373 1.622 50 0 CDAARN O=C(c1ccncc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000257184855 190008274 /nfs/dbraw/zinc/00/82/74/190008274.db2.gz VLCLHHMEWIGIOM-AWEZNQCLSA-N 0 0 269.304 1.770 50 0 CDAARN COCCNC(=O)Cn1ccc2cccc(OC)c21 ZINC000032074899 375630722 /nfs/dbraw/zinc/63/07/22/375630722.db2.gz QCDWUAGKMLKYPM-UHFFFAOYSA-N 0 0 262.309 1.413 50 0 CDAARN Cc1ccc(NC(=O)CSc2cnn(C)c2)nc1 ZINC000257173651 190005954 /nfs/dbraw/zinc/00/59/54/190005954.db2.gz UHVHDXVVQKGALI-UHFFFAOYSA-N 0 0 262.338 1.854 50 0 CDAARN Cn1cc(SCC(=O)N2CCSCC2)cn1 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281365776 /nfs/dbraw/zinc/36/57/76/281365776.db2.gz XDSMEKKNIBDSOI-JTQLQIEISA-N 0 0 285.409 1.506 50 0 CDAARN CN(C)S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000098009379 289252101 /nfs/dbraw/zinc/25/21/01/289252101.db2.gz ZVJSUMBHJWKSTH-UHFFFAOYSA-N 0 0 260.403 1.839 50 0 CDAARN CNC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(C)cc1 ZINC000000307252 290353861 /nfs/dbraw/zinc/35/38/61/290353861.db2.gz LOQMZFAIGCOSJK-LBPRGKRZSA-N 0 0 275.377 1.534 50 0 CDAARN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)s1 ZINC000095451782 290572433 /nfs/dbraw/zinc/57/24/33/290572433.db2.gz IMIIEVPNYDXISP-ZJUUUORDSA-N 0 0 266.366 1.701 50 0 CDAARN C[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@@H](C)CC1=O ZINC000004142378 297065586 /nfs/dbraw/zinc/06/55/86/297065586.db2.gz QGFPVFDOXWBCCC-MNOVXSKESA-N 0 0 267.350 1.675 50 0 CDAARN NC(=O)[C@H]1CCCN1C(=O)Nc1cccc2cccnc21 ZINC000095350792 295150351 /nfs/dbraw/zinc/15/03/51/295150351.db2.gz WGWVQFOPMDICGL-GFCCVEGCSA-N 0 0 284.319 1.716 50 0 CDAARN NC(=O)c1cc2nc(N)oc2c(Br)c1 ZINC000097757427 295174597 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/nfs/dbraw/zinc/87/33/67/482873367.db2.gz UCEATOKKJKNJNF-LBPRGKRZSA-N 0 0 290.754 1.985 50 0 CDAARN CCN(CC)C(=O)c1ccc(OCC(=O)OC)c(OC)c1 ZINC000670421058 482942801 /nfs/dbraw/zinc/94/28/01/482942801.db2.gz CTPFRUDASSGQGF-UHFFFAOYSA-N 0 0 295.335 1.729 50 0 CDAARN Cc1nonc1CN(C)Cc1noc(C2CCC2)n1 ZINC000670435095 482971545 /nfs/dbraw/zinc/97/15/45/482971545.db2.gz SGDBGCOTYXINNY-UHFFFAOYSA-N 0 0 263.301 1.661 50 0 CDAARN CC1(C)C[C@@H](O)CCN(C(=O)CN2CCCCC2=O)C1 ZINC000670447792 483002371 /nfs/dbraw/zinc/00/23/71/483002371.db2.gz FIIALVLYMNNAQZ-LBPRGKRZSA-N 0 0 282.384 1.008 50 0 CDAARN O=C(CCCN1CCOCC1)N1C[C@@H]2CC[C@@H](C2)C1 ZINC000670458565 483039667 /nfs/dbraw/zinc/03/96/67/483039667.db2.gz FNXYNVLRWDJNLQ-OKILXGFUSA-N 0 0 266.385 1.357 50 0 CDAARN O=c1c2ccncc2ncn1Cc1cc(C2CC2)on1 ZINC000670465071 483055279 /nfs/dbraw/zinc/05/52/79/483055279.db2.gz LCQPAUZJJHOHSY-UHFFFAOYSA-N 0 0 268.276 1.705 50 0 CDAARN COC[C@H](O)CN(C)c1ccc2ccc(F)cc2n1 ZINC000083858982 483211555 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/nfs/dbraw/zinc/20/79/40/323207940.db2.gz OJNMBAPWZMYLJU-VIFPVBQESA-N 0 0 262.231 1.006 50 0 CDAARN Cn1cnnc1C[S@](=O)Cc1cccc(Cl)c1 ZINC000123441243 323209115 /nfs/dbraw/zinc/20/91/15/323209115.db2.gz SSGCDFMBJBSFPC-KRWDZBQOSA-N 0 0 269.757 1.917 50 0 CDAARN CC(=O)c1ccc(C(=O)N(C)C[C@@H](O)C(F)(F)F)cc1 ZINC000181546670 323238463 /nfs/dbraw/zinc/23/84/63/323238463.db2.gz UTHUXEFBWRTBJY-LLVKDONJSA-N 0 0 289.253 1.884 50 0 CDAARN Cc1nc(NC(=O)N[C@@]2(CO)CCOC2)sc1C ZINC000183053455 323316663 /nfs/dbraw/zinc/31/66/63/323316663.db2.gz WKQSAHJIRHDTOH-LLVKDONJSA-N 0 0 271.342 1.033 50 0 CDAARN COC(=O)c1cccc(S(=O)(=O)N2CCCCCO2)c1 ZINC000390834452 323820079 /nfs/dbraw/zinc/82/00/79/323820079.db2.gz ZCKTXORVAUVXRG-UHFFFAOYSA-N 0 0 299.348 1.579 50 0 CDAARN CCOc1ccccc1NC(=O)CN1CSCC1=O ZINC000007310740 326821163 /nfs/dbraw/zinc/82/11/63/326821163.db2.gz KMYBRRRDCZIMGJ-UHFFFAOYSA-N 0 0 280.349 1.557 50 0 CDAARN COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C)cc1F ZINC000030337886 326886678 /nfs/dbraw/zinc/88/66/78/326886678.db2.gz MYYIKQAKWZHIBK-VIFPVBQESA-N 0 0 289.328 1.244 50 0 CDAARN CCC(=O)N1CCC(NC(=O)N(CC)CC)CC1 ZINC000169898214 328738484 /nfs/dbraw/zinc/73/84/84/328738484.db2.gz FGVOVCSYQVZBBN-UHFFFAOYSA-N 0 0 255.362 1.439 50 0 CDAARN CC(C)c1cc(C[N@@H+]2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)no1 ZINC001772704703 1159439041 /nfs/dbraw/zinc/43/90/41/1159439041.db2.gz OXFOHYGCWJTXCJ-ABAIWWIYSA-N 0 0 294.351 1.721 50 0 CDAARN OC[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C[C@@H]1O ZINC000072145642 482451441 /nfs/dbraw/zinc/45/14/41/482451441.db2.gz LIOVCASSUHQMEV-HIFRSBDPSA-N 0 0 285.347 1.323 50 0 CDAARN O=C(N[C@@H](CO)C1CC1)c1nc(C2CC2)n2ccccc12 ZINC000091082736 482537492 /nfs/dbraw/zinc/53/74/92/482537492.db2.gz FANRGGTUIANUAX-LBPRGKRZSA-N 0 0 285.347 1.712 50 0 CDAARN Cc1ccc2c(c1)CCN2C(=O)CCS(=O)(=O)N(C)C ZINC000091103930 482539856 /nfs/dbraw/zinc/53/98/56/482539856.db2.gz UXGDDSPXFZNAGZ-UHFFFAOYSA-N 0 0 296.392 1.166 50 0 CDAARN O=C(c1ncc[nH]1)N1CCO[C@@H](c2ccccc2)C1 ZINC000022318956 482679777 /nfs/dbraw/zinc/67/97/77/482679777.db2.gz XEWWFYDVXWIYPP-GFCCVEGCSA-N 0 0 257.293 1.623 50 0 CDAARN Cc1ccc(-n2cc(CN3CCOCC3)nn2)cc1 ZINC000585091476 482825591 /nfs/dbraw/zinc/82/55/91/482825591.db2.gz DXEYETRRUFFQFZ-UHFFFAOYSA-N 0 0 258.325 1.408 50 0 CDAARN Nc1nc(N)c2c(n1)NC(=O)C[C@H]2c1cccc(F)c1 ZINC000670416072 482927648 /nfs/dbraw/zinc/92/76/48/482927648.db2.gz FXXIJGVLSKOXOT-QMMMGPOBSA-N 0 0 273.271 1.254 50 0 CDAARN CCc1[nH]nc2c1CN(Cc1cc(=O)c(OC)co1)CC2 ZINC000670436558 482973543 /nfs/dbraw/zinc/97/35/43/482973543.db2.gz JJRVPHNYEJYNJV-UHFFFAOYSA-N 0 0 289.335 1.492 50 0 CDAARN CC[C@H](Cn1ccnc1)NC(=O)c1cc(=O)c(OC)co1 ZINC000670437256 482976302 /nfs/dbraw/zinc/97/63/02/482976302.db2.gz NCMKLILQFXARID-SNVBAGLBSA-N 0 0 291.307 1.054 50 0 CDAARN Cc1n[nH]c(CN2CCN(C(=O)C3CCC3)CC2)c1Cl ZINC000670442304 482990360 /nfs/dbraw/zinc/99/03/60/482990360.db2.gz FYBWWYXDLDUWFQ-UHFFFAOYSA-N 0 0 296.802 1.816 50 0 CDAARN CCS(=O)(=O)NC[C@H](C)N(C)Cc1cc(C)cc(C)n1 ZINC000670445425 482993323 /nfs/dbraw/zinc/99/33/23/482993323.db2.gz PBTKEVYHHXFLJB-ZDUSSCGKSA-N 0 0 299.440 1.458 50 0 CDAARN Cc1nonc1CN(C)Cc1cnc2ccccc2n1 ZINC000670446604 482997985 /nfs/dbraw/zinc/99/79/85/482997985.db2.gz WAAXUIDHOQSVLL-UHFFFAOYSA-N 0 0 269.308 1.953 50 0 CDAARN NC(=O)C1(NC(=O)[C@H]2CC23CC3)CCCCCC1 ZINC000670448001 483005867 /nfs/dbraw/zinc/00/58/67/483005867.db2.gz OHJFBJWFCWECDY-SNVBAGLBSA-N 0 0 250.342 1.481 50 0 CDAARN Cc1cc(C)n(CCC(=O)N[C@@H]2CCc3c[nH]nc3C2)n1 ZINC000670449201 483006794 /nfs/dbraw/zinc/00/67/94/483006794.db2.gz WIIINEBBNZIPQT-CYBMUJFWSA-N 0 0 287.367 1.287 50 0 CDAARN COCCn1cncc1CNC(=O)c1cc(C(C)C)no1 ZINC000670453148 483022545 /nfs/dbraw/zinc/02/25/45/483022545.db2.gz AFDODQWHDPUIPH-UHFFFAOYSA-N 0 0 292.339 1.571 50 0 CDAARN Cc1cc(CNC(=O)Cc2cccnc2)cnc1C ZINC000670454627 483027865 /nfs/dbraw/zinc/02/78/65/483027865.db2.gz LYCMDOZKAVGLGW-UHFFFAOYSA-N 0 0 255.321 1.952 50 0 CDAARN Cc1nonc1CN1CCN(C2CCCCC2)C(=O)C1 ZINC000670459542 483040811 /nfs/dbraw/zinc/04/08/11/483040811.db2.gz MVWWKVLNPXAHDW-UHFFFAOYSA-N 0 0 278.356 1.355 50 0 CDAARN Cc1nn(CCO)c(C)c1CN1CCc2nocc2C1 ZINC000670468743 483062093 /nfs/dbraw/zinc/06/20/93/483062093.db2.gz AHMKEVVGYCNCFL-UHFFFAOYSA-N 0 0 276.340 1.039 50 0 CDAARN c1ncn(CCN2CCC[C@H]2c2noc(C3CC3)n2)n1 ZINC000084618662 483299366 /nfs/dbraw/zinc/29/93/66/483299366.db2.gz REMZPEGYFMNUAJ-NSHDSACASA-N 0 0 274.328 1.376 50 0 CDAARN COC(=O)C[C@@H](C)NC(=O)c1nc2ccccc2[nH]1 ZINC000084636924 483302346 /nfs/dbraw/zinc/30/23/46/483302346.db2.gz WRIXWMSBKFOAGW-MRVPVSSYSA-N 0 0 261.281 1.244 50 0 CDAARN CCC(=O)OCC(COC(=O)CC)OC(=O)CC ZINC000001669521 574411363 /nfs/dbraw/zinc/41/13/63/574411363.db2.gz YZWRNSARCRTXDS-UHFFFAOYSA-N 0 0 260.286 1.215 50 0 endogenous,in-man CDAARN CC(=O)N[C@@H](C)Cc1nc(C)nn1Cc1ccc(F)cc1 ZINC000821477569 1161924252 /nfs/dbraw/zinc/92/42/52/1161924252.db2.gz FUQMYXLZZCEBEH-JTQLQIEISA-N 0 0 290.342 1.841 50 0 CDAARN COc1ccccc1-c1nc2[nH]c(C)cc(=O)n2n1 ZINC000100632908 533920596 /nfs/dbraw/zinc/92/05/96/533920596.db2.gz PTCIPMJQFRALSH-UHFFFAOYSA-N 0 0 256.265 1.402 50 0 CDAARN COc1ccc(F)cc1CN(CC(N)=O)C(C)C ZINC000007461348 533930169 /nfs/dbraw/zinc/93/01/69/533930169.db2.gz ZDNNYZCYDNPACC-UHFFFAOYSA-N 0 0 254.305 1.530 50 0 CDAARN C[C@H](Cc1ccsc1)N(C)S(=O)(=O)c1cnn(C)c1 ZINC000096449269 534155522 /nfs/dbraw/zinc/15/55/22/534155522.db2.gz SMPDRTIQTMSIMX-SNVBAGLBSA-N 0 0 299.421 1.733 50 0 CDAARN C[C@@H]1SCCN(C(=O)NCc2cnn(C)c2)[C@H]1C ZINC000098010550 534219315 /nfs/dbraw/zinc/21/93/15/534219315.db2.gz XFWLTLVMSPXENR-UWVGGRQHSA-N 0 0 268.386 1.456 50 0 CDAARN O=C(OCCN1CCCC1=O)c1cccc2cc[nH]c21 ZINC000096441947 534557114 /nfs/dbraw/zinc/55/71/14/534557114.db2.gz QYZFFQKMFOAGQT-UHFFFAOYSA-N 0 0 272.304 1.947 50 0 CDAARN O=C(NC[C@@H]1CCCS1)c1cccc(-n2cccn2)n1 ZINC000096462146 534585650 /nfs/dbraw/zinc/58/56/50/534585650.db2.gz VYYMEVBDFCDWED-NSHDSACASA-N 0 0 288.376 1.893 50 0 CDAARN COc1ccccc1OCC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000006741184 524662031 /nfs/dbraw/zinc/66/20/31/524662031.db2.gz IZAIHEFCVRLZQK-NWDGAFQWSA-N 0 0 279.336 1.758 50 0 CDAARN CS(=O)(=O)N1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000049332364 525177172 /nfs/dbraw/zinc/17/71/72/525177172.db2.gz RJUFGJPNHIWQQW-OAHLLOKOSA-N 0 0 294.420 1.641 50 0 CDAARN CSCC[C@H](C)NC(=O)NC[C@H]1CCC[C@H]1O ZINC000241653352 525566388 /nfs/dbraw/zinc/56/63/88/525566388.db2.gz PUKWPAVKKJDCJS-HBNTYKKESA-N 0 0 260.403 1.588 50 0 CDAARN O=C(Cc1ccc2c(c1)OCO2)NCC(F)(F)F ZINC000048771659 527252168 /nfs/dbraw/zinc/25/21/68/527252168.db2.gz QHRWXCHQIUUNBS-UHFFFAOYSA-N 0 0 261.199 1.636 50 0 CDAARN CC(C)C(=O)NCCNC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000096437647 527502063 /nfs/dbraw/zinc/50/20/63/527502063.db2.gz KBJXDSKBQGURAL-CHWSQXEVSA-N 0 0 281.400 1.733 50 0 CDAARN CCNC(=O)c1ccccc1NC(=O)/C=C\C(=O)OC ZINC000096585936 528272531 /nfs/dbraw/zinc/27/25/31/528272531.db2.gz YAMPEABFHGZKSC-HJWRWDBZSA-N 0 0 276.292 1.104 50 0 CDAARN CC(C)C[C@@H]1COCCN1C(=O)Nc1cnn(C)c1 ZINC000098014229 528391641 /nfs/dbraw/zinc/39/16/41/528391641.db2.gz WPXQSUIFOINKBQ-GFCCVEGCSA-N 0 0 266.345 1.699 50 0 CDAARN CC(C)C[C@H](NC(=O)c1ccnn1C(C)C)C(N)=O ZINC000426517762 528569449 /nfs/dbraw/zinc/56/94/49/528569449.db2.gz CUEYOCUDWOSDPP-JTQLQIEISA-N 0 0 266.345 1.094 50 0 CDAARN CCCNC(=S)N1CCN(c2ccccc2O)CC1 ZINC000007528935 535156128 /nfs/dbraw/zinc/15/61/28/535156128.db2.gz UPAPGQMTBGMZQH-UHFFFAOYSA-N 0 0 279.409 1.799 50 0 CDAARN COCCNC(=S)N1CCN(c2ccc(O)cc2)CC1 ZINC000006331538 536892444 /nfs/dbraw/zinc/89/24/44/536892444.db2.gz LUCTZGZTVVEQBX-UHFFFAOYSA-N 0 0 295.408 1.035 50 0 CDAARN Cc1ccc(CNC(=O)N2CCOC[C@H]2C[C@H](C)O)s1 ZINC000097161948 545522228 /nfs/dbraw/zinc/52/22/28/545522228.db2.gz NZAUNEZNIDBOJX-CMPLNLGQSA-N 0 0 298.408 1.738 50 0 CDAARN Cc1ncsc1C(=O)NCCC1(C)OCCO1 ZINC000097115774 538437197 /nfs/dbraw/zinc/43/71/97/538437197.db2.gz FKYBHGWBJQDQKC-UHFFFAOYSA-N 0 0 256.327 1.334 50 0 CDAARN COC(=O)CCCC(=O)N1CCC[C@@H]1c1cnn(C)c1C ZINC000097142004 567905053 /nfs/dbraw/zinc/90/50/53/567905053.db2.gz VGHZPANGNYSSRF-CYBMUJFWSA-N 0 0 293.367 1.735 50 0 CDAARN CCC(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000097164206 567905619 /nfs/dbraw/zinc/90/56/19/567905619.db2.gz DXSXIGIUOSCYTC-NSHDSACASA-N 0 0 269.366 1.683 50 0 CDAARN CC(C)[C@@H]1C=CCN1C(=O)CCC(=O)Nc1nncs1 ZINC000952973147 614154051 /nfs/dbraw/zinc/15/40/51/614154051.db2.gz YHJDGPJZRFBASA-JTQLQIEISA-N 0 0 294.380 1.680 50 0 CDAARN CC(C)c1nnsc1CNC(=O)[C@H](C)Cn1cncn1 ZINC000952970048 614339798 /nfs/dbraw/zinc/33/97/98/614339798.db2.gz PTFLGBRSHINPCM-SECBINFHSA-N 0 0 294.384 1.206 50 0 CDAARN CC1=C(C(=O)N2CCC[C@H](Cn3ccnc3)C2)OCCO1 ZINC000952988074 614942975 /nfs/dbraw/zinc/94/29/75/614942975.db2.gz AOWLVYJFZHTXTG-CYBMUJFWSA-N 0 0 291.351 1.400 50 0 CDAARN O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N[C@H]1CCOC1=O ZINC000888095425 617755986 /nfs/dbraw/zinc/75/59/86/617755986.db2.gz FAMUDLIZNWANRN-DRZSPHRISA-N 0 0 292.310 1.686 50 0 CDAARN C/C(=C/c1ccc(C)cc1)C(=O)NC(C)(CO)CO ZINC000120637258 620282419 /nfs/dbraw/zinc/28/24/19/620282419.db2.gz NQZCCKTYKDQHPC-WQLSENKSSA-N 0 0 263.337 1.258 50 0 CDAARN C=CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000848979056 631410992 /nfs/dbraw/zinc/41/09/92/631410992.db2.gz KCSUYYHEYNYTMU-UHFFFAOYSA-N 0 0 262.284 1.183 50 0 CDAARN COCCn1ccc(NC(=O)N2CC(OC(C)C)C2)n1 ZINC000874435412 632390797 /nfs/dbraw/zinc/39/07/97/632390797.db2.gz RSDUJHZDDPZSRE-UHFFFAOYSA-N 0 0 282.344 1.171 50 0 CDAARN CCOC(=O)C[C@@H]1N=C(OC)[C@@H](C(C)C)N=C1OC ZINC000213010536 1158939152 /nfs/dbraw/zinc/93/91/52/1158939152.db2.gz UCQCSFFJFJBLQE-GXSJLCMTSA-N 0 0 270.329 1.436 50 0 CDAARN CCn1nc(C2CCOCC2)nc1CN1CCOCC1 ZINC000096166415 1159397761 /nfs/dbraw/zinc/39/77/61/1159397761.db2.gz GEVFNYLNZZSCED-UHFFFAOYSA-N 0 0 280.372 1.024 50 0 CDAARN Cc1cc(C)n([C@H](C)CNc2nnc(CN(C)C)o2)n1 ZINC001772701709 1159437764 /nfs/dbraw/zinc/43/77/64/1159437764.db2.gz GZOOMWMMOUQAEE-LLVKDONJSA-N 0 0 278.360 1.618 50 0 CDAARN CO[C@@H]1C[C@H](C(=O)N(C)Cc2ccccn2)CC[C@@H]1O ZINC001772703995 1159439682 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C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H](C)C1CCC1 ZINC000252477291 367544776 /nfs/dbraw/zinc/54/47/76/367544776.db2.gz LKUJHVMUFRZARL-WZRBSPASSA-N 0 0 270.373 1.668 50 0 CDAARN C[C@H](NC(=O)CCCc1ccccc1)c1nnnn1C ZINC000252499292 367648429 /nfs/dbraw/zinc/64/84/29/367648429.db2.gz RYHANWLGJCOQRN-NSHDSACASA-N 0 0 273.340 1.410 50 0 CDAARN CS(=O)(=O)N1CCC[C@H]1c1noc(C2CCC2)n1 ZINC000252532946 367787462 /nfs/dbraw/zinc/78/74/62/367787462.db2.gz FMPCTMSWLMJWTC-VIFPVBQESA-N 0 0 271.342 1.434 50 0 CDAARN C[C@H](C(=O)N1CCC[C@@H]2CCCC[C@@H]21)N1C(=O)CCC1=O ZINC000073532138 370890088 /nfs/dbraw/zinc/89/00/88/370890088.db2.gz PWYWKCFOKNSSPU-AGIUHOORSA-N 0 0 292.379 1.705 50 0 CDAARN CC(C)(C)[C@@H](O)CCNS(=O)(=O)c1ccccc1 ZINC000075157782 367947581 /nfs/dbraw/zinc/94/75/81/367947581.db2.gz SDMXMQKXTFYEJS-LBPRGKRZSA-N 0 0 271.382 1.762 50 0 CDAARN O=C(Nc1nccs1)c1ccc(O[C@@H]2CCOC2)nc1 ZINC000225709132 368094963 /nfs/dbraw/zinc/09/49/63/368094963.db2.gz NCJUUXRSRLJMON-SNVBAGLBSA-N 0 0 291.332 1.958 50 0 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C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccn1C ZINC000003361909 369488485 /nfs/dbraw/zinc/48/84/85/369488485.db2.gz ZMNCMANFIZOHFR-VXGBXAGGSA-N 0 0 278.352 1.877 50 0 CDAARN CN1CCO[C@H](C(=O)N2CCCC(C)(C)CC2)C1 ZINC000081455131 369962122 /nfs/dbraw/zinc/96/21/22/369962122.db2.gz STLXLVYACDXYCU-LBPRGKRZSA-N 0 0 254.374 1.356 50 0 CDAARN NC(=O)[C@H]1CCCN1c1ncccc1C(F)(F)F ZINC000575607951 370623595 /nfs/dbraw/zinc/62/35/95/370623595.db2.gz USNIHOPGOZHIIE-MRVPVSSYSA-N 0 0 259.231 1.555 50 0 CDAARN O=C(NCC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC=CCC1 ZINC000575608959 370626614 /nfs/dbraw/zinc/62/66/14/370626614.db2.gz WYBFYCPKBJGDSK-HZPDHXFCSA-N 0 0 292.423 1.960 50 0 CDAARN Cc1ccc(-n2nnnc2S[C@H]2C[C@H](C)OC2=O)cc1 ZINC000012592786 371019497 /nfs/dbraw/zinc/01/94/97/371019497.db2.gz PVQNGKFEQAJZDP-ONGXEEELSA-N 0 0 290.348 1.767 50 0 CDAARN O=C(N[C@H]1CCn2nccc2C1)c1cc(-c2ccco2)on1 ZINC000240122428 284243463 /nfs/dbraw/zinc/24/34/63/284243463.db2.gz VZHMSIWVQPOOQJ-JTQLQIEISA-N 0 0 298.302 1.876 50 0 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CCn1cc(NC(=O)N[C@@H]2COc3ccccc3C2)nn1 ZINC000299776828 372754677 /nfs/dbraw/zinc/75/46/77/372754677.db2.gz MGGGXPLKJWVFNF-NSHDSACASA-N 0 0 287.323 1.423 50 0 CDAARN CC(C)n1cc(NC(=O)NCC(F)(F)F)nn1 ZINC000299780482 372756998 /nfs/dbraw/zinc/75/69/98/372756998.db2.gz AOUJUFALGAZYRA-UHFFFAOYSA-N 0 0 251.212 1.543 50 0 CDAARN C[C@@]1(C(=O)NCc2cc(-c3cccnc3)no2)CCCO1 ZINC000299784026 372758905 /nfs/dbraw/zinc/75/89/05/372758905.db2.gz RZLDRILPSRBFLN-HNNXBMFYSA-N 0 0 287.319 1.922 50 0 CDAARN CC[C@@H](NC(=O)c1[nH]nnc1C)c1ccc(C)cn1 ZINC000299789985 372764141 /nfs/dbraw/zinc/76/41/41/372764141.db2.gz AEQMKLIJOZILIN-SNVBAGLBSA-N 0 0 259.313 1.698 50 0 CDAARN Cc1nonc1CC(=O)NCCc1nc2c(s1)CCC2 ZINC000299795951 372769947 /nfs/dbraw/zinc/76/99/47/372769947.db2.gz MUHHKIOIUXPDHW-UHFFFAOYSA-N 0 0 292.364 1.225 50 0 CDAARN CC(C)c1nnc([C@@H](C)NC(=O)C(=O)c2ccco2)o1 ZINC000299800541 372771574 /nfs/dbraw/zinc/77/15/74/372771574.db2.gz SYDWJVYOOFSAPP-MRVPVSSYSA-N 0 0 277.280 1.846 50 0 CDAARN CC(C)n1cnc(C(=O)Nc2nnc3n2CCCC3)c1 ZINC000241435215 189903888 /nfs/dbraw/zinc/90/38/88/189903888.db2.gz NLTJTYMLDGCZTN-UHFFFAOYSA-N 0 0 274.328 1.644 50 0 CDAARN CNS(=O)(=O)c1ccccc1NCCCOC(C)C ZINC000383479560 373122929 /nfs/dbraw/zinc/12/29/29/373122929.db2.gz UCQUGCZYZGRKIH-UHFFFAOYSA-N 0 0 286.397 1.822 50 0 CDAARN Cc1cc(CCNC(=O)Cc2ccc(F)cc2)nn1C ZINC000244947608 189914865 /nfs/dbraw/zinc/91/48/65/189914865.db2.gz DSZBWIWRFUWJJI-UHFFFAOYSA-N 0 0 275.327 1.769 50 0 CDAARN O=C(c1cc[nH]c(=O)c1)N1CCc2ccc(F)cc21 ZINC000084459445 373666454 /nfs/dbraw/zinc/66/64/54/373666454.db2.gz OLTACEJQMXYTHN-UHFFFAOYSA-N 0 0 258.252 1.717 50 0 CDAARN COCCO[C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC000253392170 373681620 /nfs/dbraw/zinc/68/16/20/373681620.db2.gz MRHNWTCRTFVGHF-QWHCGFSZSA-N 0 0 271.357 1.067 50 0 CDAARN Cc1cccnc1C(=O)N1C[C@@H](CO)[C@H](c2ccccn2)C1 ZINC000253414045 373723641 /nfs/dbraw/zinc/72/36/41/373723641.db2.gz WHUGMUFGVNGKPQ-UONOGXRCSA-N 0 0 297.358 1.633 50 0 CDAARN O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)CC(F)(F)F ZINC000253420837 373730589 /nfs/dbraw/zinc/73/05/89/373730589.db2.gz MPUBCSQCQLWPKH-QMMMGPOBSA-N 0 0 279.258 1.619 50 0 CDAARN Cc1nc([C@@H](C)Sc2nc(N)cc(N)n2)no1 ZINC000253430958 373743460 /nfs/dbraw/zinc/74/34/60/373743460.db2.gz GFWNYKVEODFNBE-SCSAIBSYSA-N 0 0 252.303 1.186 50 0 CDAARN Cc1cc(C(=O)NCCn2ccc3ccoc3c2=O)[nH]n1 ZINC000253471279 373798581 /nfs/dbraw/zinc/79/85/81/373798581.db2.gz BRJZRECGIPUCFJ-UHFFFAOYSA-N 0 0 286.291 1.056 50 0 CDAARN O=C(N[C@H]1CC[C@H](O)CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000253531000 373879550 /nfs/dbraw/zinc/87/95/50/373879550.db2.gz QAVXDFGTGNQMEO-MGCOHNPYSA-N 0 0 287.319 1.369 50 0 CDAARN C[C@H](O)CCNC(=O)c1c[nH]c(=O)c2ccccc12 ZINC000253536911 373892307 /nfs/dbraw/zinc/89/23/07/373892307.db2.gz OKJHBLUOYNOOPC-VIFPVBQESA-N 0 0 260.293 1.441 50 0 CDAARN Cc1cc(S(=O)(=O)NCc2ccon2)c(F)cc1F ZINC000084675211 374062771 /nfs/dbraw/zinc/06/27/71/374062771.db2.gz AMDXNYBEGUQFBS-UHFFFAOYSA-N 0 0 288.275 1.740 50 0 CDAARN O=C(c1ccoc1)N1CCC(N2C(=O)CSC2=O)CC1 ZINC000206982935 374183133 /nfs/dbraw/zinc/18/31/33/374183133.db2.gz SFNDSZOSYCXBNQ-UHFFFAOYSA-N 0 0 294.332 1.580 50 0 CDAARN CO[C@@H](CNC(=O)Cc1c(C)noc1C)c1ccco1 ZINC000206862061 374200966 /nfs/dbraw/zinc/20/09/66/374200966.db2.gz CNHJGACCYJBPDG-ZDUSSCGKSA-N 0 0 278.308 1.931 50 0 CDAARN Cn1ccc2c1cccc2OCC(=O)N1CCN(C)CC1 ZINC000253399794 374275007 /nfs/dbraw/zinc/27/50/07/374275007.db2.gz DHMPSEQLVWQFPU-UHFFFAOYSA-N 0 0 287.363 1.331 50 0 CDAARN COC(=O)c1ccc(N)c(I)c1O ZINC000052537266 374233895 /nfs/dbraw/zinc/23/38/95/374233895.db2.gz HIVTWXRLWGNGNS-UHFFFAOYSA-N 0 0 293.060 1.366 50 0 CDAARN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc[nH]n1 ZINC000113073860 374238330 /nfs/dbraw/zinc/23/83/30/374238330.db2.gz NQAJLBMSLPUALG-GXSJLCMTSA-N 0 0 296.396 1.086 50 0 CDAARN COc1ccc(-n2nnnc2SC[C@@H]2CCCO2)cc1 ZINC000013023547 374242847 /nfs/dbraw/zinc/24/28/47/374242847.db2.gz FMNYUPSGHNWXPT-LBPRGKRZSA-N 0 0 292.364 1.942 50 0 CDAARN COc1cc(=O)n2c(c1C(=O)N1CCC[C@@H](C)C1)CCC2 ZINC000245070559 374246914 /nfs/dbraw/zinc/24/69/14/374246914.db2.gz QOXFZMUXQYEDBA-LLVKDONJSA-N 0 0 290.363 1.675 50 0 CDAARN O=C1CS[C@@H](c2ccncc2)N1C[C@@H]1CCCO1 ZINC000027754900 374282150 /nfs/dbraw/zinc/28/21/50/374282150.db2.gz WUPLROOENYUKEP-AAEUAGOBSA-N 0 0 264.350 1.835 50 0 CDAARN C[C@H](NS(=O)(=O)c1cccc(F)c1)[C@H]1CCCO1 ZINC000028326682 374464135 /nfs/dbraw/zinc/46/41/35/374464135.db2.gz LUEYHLONMUVGGT-JOYOIKCWSA-N 0 0 273.329 1.672 50 0 CDAARN C[C@@H](CCc1ccco1)N(C)S(=O)(=O)N(C)C ZINC000002449603 374563134 /nfs/dbraw/zinc/56/31/34/374563134.db2.gz YZJRWOBGMVJYMQ-JTQLQIEISA-N 0 0 260.359 1.339 50 0 CDAARN CC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000036383597 374560120 /nfs/dbraw/zinc/56/01/20/374560120.db2.gz GZWYIBLYNYYSFV-CYBMUJFWSA-N 0 0 289.379 1.486 50 0 CDAARN Cc1ccccc1OCCN(C)C(=O)c1nccnc1N ZINC000012816453 374589571 /nfs/dbraw/zinc/58/95/71/374589571.db2.gz AZQHRFYUGPMXPP-UHFFFAOYSA-N 0 0 286.335 1.518 50 0 CDAARN 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/nfs/dbraw/zinc/39/45/93/230394593.db2.gz VKGGTOUNMRWLAS-UHFFFAOYSA-N 0 0 298.100 1.223 50 0 CDAARN Cc1nc(CN2C(=O)CC3(CCCC3)CC2=O)n(C)n1 ZINC000095523426 185003955 /nfs/dbraw/zinc/00/39/55/185003955.db2.gz QOMFRQYRPJVTCB-UHFFFAOYSA-N 0 0 276.340 1.333 50 0 CDAARN CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CSC ZINC000106779335 349484160 /nfs/dbraw/zinc/48/41/60/349484160.db2.gz HZEMVQINCDJNGJ-NWDGAFQWSA-N 0 0 256.415 1.825 50 0 CDAARN CCc1cc(C(=O)N(C)[C@@H](CO)C(C)(C)C)[nH]n1 ZINC000097374951 342002817 /nfs/dbraw/zinc/00/28/17/342002817.db2.gz DARGQCUSXXFKMZ-NSHDSACASA-N 0 0 253.346 1.451 50 0 CDAARN CCOC(=O)CC1(F)CN(C(=O)OC(C)(C)C)C1 ZINC000095740507 185024943 /nfs/dbraw/zinc/02/49/43/185024943.db2.gz VNQGDAJWTASOMT-UHFFFAOYSA-N 0 0 261.293 1.899 50 0 CDAARN Cc1ccc(NCCCNC(=O)[C@H]2CCOC2)nc1 ZINC000172363707 365527319 /nfs/dbraw/zinc/52/73/19/365527319.db2.gz RHEVPPYYCVUDHO-LBPRGKRZSA-N 0 0 263.341 1.345 50 0 CDAARN CC(=O)N1CSC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000084752689 539086416 /nfs/dbraw/zinc/08/64/16/539086416.db2.gz RRNPENZZNSMVGN-CQSZACIVSA-N 0 0 290.388 1.493 50 0 CDAARN c1csc(NC[C@]2(N3CCOCC3)CCSC2)n1 ZINC000095949200 185039103 /nfs/dbraw/zinc/03/91/03/185039103.db2.gz DUONQYSKSYBMDI-GFCCVEGCSA-N 0 0 285.438 1.763 50 0 CDAARN CO[C@@H](C(=O)Nc1ccc(=O)n(C)c1)c1ccccc1 ZINC000095954076 185040900 /nfs/dbraw/zinc/04/09/00/185040900.db2.gz RWRBJYMAPXATPQ-CQSZACIVSA-N 0 0 272.304 1.712 50 0 CDAARN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000095963316 185044205 /nfs/dbraw/zinc/04/42/05/185044205.db2.gz HUFFNYAQQPIHNZ-BARDWOONSA-N 0 0 296.411 1.818 50 0 CDAARN O=C(Nc1ccccc1)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000095964036 185044489 /nfs/dbraw/zinc/04/44/89/185044489.db2.gz NQXYWGJXFIBNGO-HNNXBMFYSA-N 0 0 298.342 1.865 50 0 CDAARN Cc1nnnn1CC(=O)c1cc(C)c(F)cc1Cl ZINC000095966005 185046040 /nfs/dbraw/zinc/04/60/40/185046040.db2.gz UFHBANVJZYHCNA-UHFFFAOYSA-N 0 0 268.679 1.965 50 0 CDAARN NC(=O)[C@H]1CCCC[C@H]1Nc1ncc(Cl)cn1 ZINC000095972173 185049237 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NKCLWXFIHXMGKX-LBPRGKRZSA-N 0 0 269.308 1.524 50 0 CDAARN CC(C)O[C@H]1CN(C(=O)c2cncc(Cl)c2)C[C@@H]1O ZINC000584900272 349362092 /nfs/dbraw/zinc/36/20/92/349362092.db2.gz SILJWAWEPSELSQ-RYUDHWBXSA-N 0 0 284.743 1.345 50 0 CDAARN O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)[C@H]1CCCO1 ZINC000090613875 180014128 /nfs/dbraw/zinc/01/41/28/180014128.db2.gz RZTWOOOMVCVBTQ-CYBMUJFWSA-N 0 0 285.303 1.554 50 0 CDAARN Cc1cc(OC(F)(F)F)ccc1C[C@@H]([NH3+])C(=O)[O-] ZINC000091252347 180114843 /nfs/dbraw/zinc/11/48/43/180114843.db2.gz POJFIIFTOPDUEM-SECBINFHSA-N 0 0 263.215 1.848 50 0 CDAARN CN(C)[C@@H](C(=O)NCCCCO)c1cccc(F)c1 ZINC000091365308 180142680 /nfs/dbraw/zinc/14/26/80/180142680.db2.gz YHDUCNIYPSOCAT-CYBMUJFWSA-N 0 0 268.332 1.317 50 0 CDAARN c1ccc([C@@H](CNc2ncccn2)N2CCOCC2)nc1 ZINC000091434458 180154190 /nfs/dbraw/zinc/15/41/90/180154190.db2.gz LUSCIRQUDOVBNL-CQSZACIVSA-N 0 0 285.351 1.357 50 0 CDAARN O=C(NCC1(O)CCOCC1)c1ccc2ncsc2c1 ZINC000091438211 180155072 /nfs/dbraw/zinc/15/50/72/180155072.db2.gz 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FC(F)(F)CCc1ccnc(NCc2nc[nH]n2)n1 ZINC000071759972 176261312 /nfs/dbraw/zinc/26/13/12/176261312.db2.gz LABDPWKVQJRXDC-UHFFFAOYSA-N 0 0 272.234 1.702 50 0 CDAARN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc2ccnn21 ZINC000072137125 176322670 /nfs/dbraw/zinc/32/26/70/176322670.db2.gz DWAIXTSJZMYYPV-NSHDSACASA-N 0 0 298.346 1.075 50 0 CDAARN Nc1nc(CCC(=O)N2CC(c3cccnc3)C2)cs1 ZINC000072143736 176324397 /nfs/dbraw/zinc/32/43/97/176324397.db2.gz XRVZQSYFPUWKNL-UHFFFAOYSA-N 0 0 288.376 1.679 50 0 CDAARN Cc1ccc(Cl)cc1C(=O)N1CC[C@H](O)[C@@H](O)C1 ZINC000072154910 176328352 /nfs/dbraw/zinc/32/83/52/176328352.db2.gz OGBNOGQBSZWOGE-RYUDHWBXSA-N 0 0 269.728 1.216 50 0 CDAARN Cc1cc(C[C@@H](C)NC(=O)c2cccc3ccnn32)[nH]n1 ZINC000072154900 176328703 /nfs/dbraw/zinc/32/87/03/176328703.db2.gz JWZTVWLZQDOKLR-SNVBAGLBSA-N 0 0 283.335 1.727 50 0 CDAARN CC(=O)NCC[C@H]1CCCCN1Cc1nc(C)cc(C)n1 ZINC000072157200 176328790 /nfs/dbraw/zinc/32/87/90/176328790.db2.gz SXUKQNAAELLHOJ-OAHLLOKOSA-N 0 0 290.411 1.974 50 0 CDAARN O=C(c1ccc2ncsc2c1)N1CCC[C@](O)(CO)C1 ZINC000072165232 176331268 /nfs/dbraw/zinc/33/12/68/176331268.db2.gz DAMXGXVFHYPGRN-CQSZACIVSA-N 0 0 292.360 1.256 50 0 CDAARN O=c1ccc(-c2ccco2)nn1CN1CCSCC1 ZINC000072403246 176397442 /nfs/dbraw/zinc/39/74/42/176397442.db2.gz UZJPTARNGREMQB-UHFFFAOYSA-N 0 0 277.349 1.510 50 0 CDAARN CCc1nnc(N2CCC3(CC(=O)N(CC)C3)CC2)s1 ZINC000072421561 176401107 /nfs/dbraw/zinc/40/11/07/176401107.db2.gz AGGDZFWLCWOABK-UHFFFAOYSA-N 0 0 294.424 1.939 50 0 CDAARN CSCC[C@](C)(O)CNC(=O)c1ccccn1 ZINC000075157390 176668124 /nfs/dbraw/zinc/66/81/24/176668124.db2.gz GFCNLCPRUDEWAK-LBPRGKRZSA-N 0 0 254.355 1.316 50 0 CDAARN CCOCCC(=O)N[C@H](C)Cn1nc(C)cc1C ZINC000076848637 177119846 /nfs/dbraw/zinc/11/98/46/177119846.db2.gz WJWXKBSHUORUIP-LLVKDONJSA-N 0 0 253.346 1.431 50 0 CDAARN COc1ccc(CCNC(=O)NCC[C@@H](O)C2CC2)cc1 ZINC000077108769 177225106 /nfs/dbraw/zinc/22/51/06/177225106.db2.gz MTGFQNNIRCPYPW-OAHLLOKOSA-N 0 0 292.379 1.698 50 0 CDAARN O=C(c1cc[nH]n1)N1CCCN(c2ccc(F)cc2)CC1 ZINC000077456888 177271203 /nfs/dbraw/zinc/27/12/03/177271203.db2.gz OXLMRZMDKDASCL-UHFFFAOYSA-N 0 0 288.326 1.901 50 0 CDAARN OC[C@H]1COCCN(Cc2ccc(Cl)s2)C1 ZINC000077470664 177271955 /nfs/dbraw/zinc/27/19/55/177271955.db2.gz LFDIMFRJQRUBOX-VIFPVBQESA-N 0 0 261.774 1.842 50 0 CDAARN CC[C@H]1COCCN1C(=O)COCc1ccccc1 ZINC000077472248 177272572 /nfs/dbraw/zinc/27/25/72/177272572.db2.gz XDZFLWIPUUBQOT-AWEZNQCLSA-N 0 0 263.337 1.841 50 0 CDAARN O=C(NCCc1c[nH]cn1)c1cc2ccccc2[nH]1 ZINC000078723430 177376089 /nfs/dbraw/zinc/37/60/89/177376089.db2.gz DNGILHJPWLNHDR-UHFFFAOYSA-N 0 0 254.293 1.864 50 0 biogenic CDAARN CCc1[nH]c(C(=O)NC2CC2)c(C)c1C(=O)OC ZINC000014121563 260078070 /nfs/dbraw/zinc/07/80/70/260078070.db2.gz YCCVKJHLJYBUFN-UHFFFAOYSA-N 0 0 250.298 1.564 50 0 CDAARN O=C(O[C@@H]1CCOC1=O)c1ccc(Cn2cccn2)cc1 ZINC000014149600 260078691 /nfs/dbraw/zinc/07/86/91/260078691.db2.gz VUWMNQKUNQXOKY-CYBMUJFWSA-N 0 0 286.287 1.404 50 0 CDAARN Cc1cnc(NC(=O)CN(C)C(=O)c2ccco2)s1 ZINC000024758241 260128140 /nfs/dbraw/zinc/12/81/40/260128140.db2.gz AAXFGLGOVGWLHX-UHFFFAOYSA-N 0 0 279.321 1.755 50 0 CDAARN Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c(C)n1C(C)C ZINC000089575555 260188386 /nfs/dbraw/zinc/18/83/86/260188386.db2.gz AIQLVAVNKAUYOR-OCCSQVGLSA-N 0 0 294.395 1.908 50 0 CDAARN Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c(C)n1C(C)C ZINC000089575549 260445649 /nfs/dbraw/zinc/44/56/49/260445649.db2.gz AIQLVAVNKAUYOR-GXTWGEPZSA-N 0 0 294.395 1.908 50 0 CDAARN CCc1nccn1CCC(=O)NCc1cn2ccccc2n1 ZINC000215004893 262338680 /nfs/dbraw/zinc/33/86/80/262338680.db2.gz VWBXZXSHZHQHCT-UHFFFAOYSA-N 0 0 297.362 1.800 50 0 CDAARN CN(CCCCc1ccccc1)C(=O)[C@@H]1CNC(=O)N1 ZINC000089340335 424502360 /nfs/dbraw/zinc/50/23/60/424502360.db2.gz YYJKFJJMQNHXQM-ZDUSSCGKSA-N 0 0 275.352 1.149 50 0 CDAARN CCn1c(C)nnc1COn1nnc2ccc(Cl)cc21 ZINC000097047886 424618865 /nfs/dbraw/zinc/61/88/65/424618865.db2.gz HFGKAYPIAOAMOK-UHFFFAOYSA-N 0 0 292.730 1.633 50 0 CDAARN O=C(c1n[nH]c2c1CCCC2)N1CCC(C2(O)CC2)CC1 ZINC000652667991 424619224 /nfs/dbraw/zinc/61/92/24/424619224.db2.gz KCXABNODCDOHSD-UHFFFAOYSA-N 0 0 289.379 1.666 50 0 CDAARN CC(C)n1ncc2cc(NC(=O)C3=COCCO3)cnc21 ZINC000012770000 276091361 /nfs/dbraw/zinc/09/13/61/276091361.db2.gz UKKHNQNUZFQMRM-UHFFFAOYSA-N 0 0 288.307 1.839 50 0 CDAARN CC(=O)N[C@@H]1c2cc(Br)ccc2N(C)C1=O ZINC000100261669 277050037 /nfs/dbraw/zinc/05/00/37/277050037.db2.gz RYRSYLBEXKGAGV-SNVBAGLBSA-N 0 0 283.125 1.603 50 0 CDAARN COC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000045996024 277123482 /nfs/dbraw/zinc/12/34/82/277123482.db2.gz FQCHJYDXCLWNPX-QMMMGPOBSA-N 0 0 298.136 1.975 50 0 CDAARN COC(=O)[C@H]1Cc2c(Br)cccc2CN1 ZINC000012650692 277139772 /nfs/dbraw/zinc/13/97/72/277139772.db2.gz FCAFKZZXSROWTA-SNVBAGLBSA-N 0 0 270.126 1.636 50 0 CDAARN COc1ccc2c(c1OC)C(=O)N(c1cc(C)[nH]n1)C2=O ZINC000008782438 277447601 /nfs/dbraw/zinc/44/76/01/277447601.db2.gz FCKVQKJONTUTHL-UHFFFAOYSA-N 0 0 287.275 1.536 50 0 CDAARN CC(C)c1nnsc1CN1CCc2nc[nH]c2C1 ZINC000244633711 278110958 /nfs/dbraw/zinc/11/09/58/278110958.db2.gz GIGVOOJKPCXOSK-UHFFFAOYSA-N 0 0 263.370 1.943 50 0 CDAARN Cn1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1=O ZINC000030769453 279138516 /nfs/dbraw/zinc/13/85/16/279138516.db2.gz OLDIWEQQXVJQBV-HNNXBMFYSA-N 0 0 298.342 1.599 50 0 CDAARN C[C@H]1c2cccn2CCN1C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000032787035 279139197 /nfs/dbraw/zinc/13/91/97/279139197.db2.gz QWHKXXGFLGJYAK-RYUDHWBXSA-N 0 0 287.363 1.402 50 0 CDAARN CCN1CCn2c3ccc(NC(C)=O)cc3nc2C1 ZINC000013690454 279433791 /nfs/dbraw/zinc/43/37/91/279433791.db2.gz BIWPXUCGKZZDMW-UHFFFAOYSA-N 0 0 258.325 1.830 50 0 CDAARN Nc1ncnc(N2CCc3cc[nH]c(=O)c3C2)c1Cl ZINC000277888275 279711861 /nfs/dbraw/zinc/71/18/61/279711861.db2.gz SVAYDHSFYIUUBO-UHFFFAOYSA-N 0 0 277.715 1.376 50 0 CDAARN C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000194728857 280051751 /nfs/dbraw/zinc/05/17/51/280051751.db2.gz UDEFAICGHRCHPH-NEPJUHHUSA-N 0 0 275.352 1.469 50 0 CDAARN O=C(c1ccc(Cl)cc1)[C@@H]1[C@H]2C(=O)[C@@H]3OC[C@@H](O3)[C@@H]12 ZINC000004779387 280183791 /nfs/dbraw/zinc/18/37/91/280183791.db2.gz PQKCJNCEYJTPAS-ADADXYTCSA-N 0 0 278.691 1.709 50 0 CDAARN O=C1C=C(Br)C(=O)N1c1ccccc1 ZINC000001605526 280247932 /nfs/dbraw/zinc/24/79/32/280247932.db2.gz XPWBLMOTTABVDZ-UHFFFAOYSA-N 0 0 252.067 1.839 50 0 CDAARN Cc1cc(-c2nnc3sc(-c4cccnc4)nn32)[nH]n1 ZINC000022501995 280289100 /nfs/dbraw/zinc/28/91/00/280289100.db2.gz OXURHXWGQMQWHN-UHFFFAOYSA-N 0 0 283.320 1.946 50 0 CDAARN O=C1Nc2ccccc2[C@H]1[C@]1(O)C(=O)Nc2ccc(F)cc21 ZINC000000613731 280304960 /nfs/dbraw/zinc/30/49/60/280304960.db2.gz GWARABSOJONSBW-CJNGLKHVSA-N 0 0 298.273 1.701 50 0 CDAARN Cc1cc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c(=O)[nH]c1C ZINC000091997180 280354446 /nfs/dbraw/zinc/35/44/46/280354446.db2.gz XTSZRHUNUAIJTQ-LLVKDONJSA-N 0 0 286.335 1.002 50 0 CDAARN C[C@@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)[C@@H](C)CO1 ZINC000110595404 288239084 /nfs/dbraw/zinc/23/90/84/288239084.db2.gz LOYICEDIEFQLBR-VHSXEESVSA-N 0 0 295.364 1.361 50 0 CDAARN C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N2CCNC(=O)C2)o1 ZINC000252388528 280523760 /nfs/dbraw/zinc/52/37/60/280523760.db2.gz FAPJYPJCDYEVHJ-SIIXBRRKSA-N 0 0 274.320 1.375 50 0 CDAARN Cc1cccc(C(=O)N[C@H]2CCc3nccn3C2)n1 ZINC000097197345 281195704 /nfs/dbraw/zinc/19/57/04/281195704.db2.gz BCPDSYDDKDLTDY-NSHDSACASA-N 0 0 256.309 1.331 50 0 CDAARN CN(C)C(=O)[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC000032904088 289017239 /nfs/dbraw/zinc/01/72/39/289017239.db2.gz KKJNGRIBNXLCLK-NWDGAFQWSA-N 0 0 250.342 1.422 50 0 CDAARN CN1CCC[C@]2(CCN(c3nccs3)C2)C1=O ZINC000067934367 290005846 /nfs/dbraw/zinc/00/58/46/290005846.db2.gz XGQFRSJDEVFCFF-GFCCVEGCSA-N 0 0 251.355 1.592 50 0 CDAARN CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020677056 290055827 /nfs/dbraw/zinc/05/58/27/290055827.db2.gz YVYFTDHKPZAHPQ-AWEZNQCLSA-N 0 0 291.326 1.680 50 0 CDAARN Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000095353098 293289827 /nfs/dbraw/zinc/28/98/27/293289827.db2.gz JSLFFBOGQSDQQH-BETUJISGSA-N 0 0 286.379 1.889 50 0 CDAARN Cc1nn(-c2ccccc2)[n+]([O-])c1Br ZINC000019909891 293683232 /nfs/dbraw/zinc/68/32/32/293683232.db2.gz BJXASIYIEFOXPQ-UHFFFAOYSA-N 0 0 254.087 1.577 50 0 CDAARN NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000002585388 295287513 /nfs/dbraw/zinc/28/75/13/295287513.db2.gz BFZLQNCZBMUSRS-UHFFFAOYSA-N 0 0 270.535 1.750 50 0 CDAARN COc1cccc2c1OCCCN(C(=O)[C@H]1CCCO1)C2 ZINC000216272785 295339879 /nfs/dbraw/zinc/33/98/79/295339879.db2.gz AVHLRXWTWKVJJI-CQSZACIVSA-N 0 0 291.347 1.985 50 0 CDAARN Nc1ncnc2ccc(I)cc12 ZINC000091301951 295375591 /nfs/dbraw/zinc/37/55/91/295375591.db2.gz YUEFBUYEPRXDBB-UHFFFAOYSA-N 0 0 271.061 1.817 50 0 CDAARN COc1ncc2c(n1)CCN(C(=O)OC(C)(C)C)C2 ZINC000049582347 295459434 /nfs/dbraw/zinc/45/94/34/295459434.db2.gz ZCQWTDGQUOIOEF-UHFFFAOYSA-N 0 0 265.313 1.778 50 0 CDAARN Cc1ccc(S(=O)(=O)[C@@H]2C(C)=CC(C)(C)NC2=O)cc1 ZINC000001408447 301698949 /nfs/dbraw/zinc/69/89/49/301698949.db2.gz LOCHJRDZTSRAQT-CYBMUJFWSA-N 0 0 293.388 1.992 50 0 CDAARN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000005487763 303232829 /nfs/dbraw/zinc/23/28/29/303232829.db2.gz OEZVVQVCLQACTI-ZJUUUORDSA-N 0 0 286.353 1.479 50 0 CDAARN CC[C@@H](NC(=O)c1cccn1C)c1ncnn1CC ZINC000534578192 328310809 /nfs/dbraw/zinc/31/08/09/328310809.db2.gz XXGVHMSSIWCAIU-SNVBAGLBSA-N 0 0 261.329 1.518 50 0 CDAARN CC(C)C(=O)N1CCC[C@H](Nc2ncccc2C(N)=O)C1 ZINC000534590835 328318046 /nfs/dbraw/zinc/31/80/46/328318046.db2.gz DEGDNJUQYWUJSB-NSHDSACASA-N 0 0 290.367 1.239 50 0 CDAARN Cc1noc(C)c1CC(=O)N[C@H](c1ncnn1C)C(C)C ZINC000534590827 328318143 /nfs/dbraw/zinc/31/81/43/328318143.db2.gz NTTDYRRSWTVQLQ-ZDUSSCGKSA-N 0 0 291.355 1.476 50 0 CDAARN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCC(=O)[O-])C1 ZINC000534633618 328332667 /nfs/dbraw/zinc/33/26/67/328332667.db2.gz WBSCAXDTFMUBON-NSHDSACASA-N 0 0 270.373 1.478 50 0 CDAARN CCN1C[C@H](NC(=O)c2ccc(C(C)=O)s2)[C@@H](OC)C1 ZINC000534637677 328334469 /nfs/dbraw/zinc/33/44/69/328334469.db2.gz CCFVXAJJFFKTFY-QWRGUYRKSA-N 0 0 296.392 1.400 50 0 CDAARN CC(C)n1cc(CN(C)C(=O)NCC2(CO)CCC2)cn1 ZINC000534637868 328334487 /nfs/dbraw/zinc/33/44/87/328334487.db2.gz RPGKAEYLNAWSJJ-UHFFFAOYSA-N 0 0 294.399 1.768 50 0 CDAARN CO[C@H]1COC[C@@H]1Nc1ncc(F)c(N2CCCC2)n1 ZINC000534637835 328334701 /nfs/dbraw/zinc/33/47/01/328334701.db2.gz MAJPOGQYHSFDNS-QWRGUYRKSA-N 0 0 282.319 1.042 50 0 CDAARN CN(Cc1ccc2nsnc2c1)C(=O)NCCCCO ZINC000534648729 328343542 /nfs/dbraw/zinc/34/35/42/328343542.db2.gz NXNHHLIQDNHTME-UHFFFAOYSA-N 0 0 294.380 1.605 50 0 CDAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)COc1ccc(F)cc1 ZINC000534667093 328345773 /nfs/dbraw/zinc/34/57/73/328345773.db2.gz PXITZAQMAWLVTK-CHWSQXEVSA-N 0 0 292.310 1.141 50 0 CDAARN CNc1ncccc1C[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000534667743 328346234 /nfs/dbraw/zinc/34/62/34/328346234.db2.gz RLAUAYXGAOWVMN-UHFFFAOYSA-N 0 0 263.341 1.810 50 0 CDAARN CC[C@H](NC(=O)CCCn1cnnn1)c1ncccc1C ZINC000534669362 328346775 /nfs/dbraw/zinc/34/67/75/328346775.db2.gz DAWHGIAUSYWGIL-LBPRGKRZSA-N 0 0 288.355 1.424 50 0 CDAARN Cc1noc([C@@H](C)NC(=O)c2c3c(nn2C)CCCC3)n1 ZINC000534673893 328349184 /nfs/dbraw/zinc/34/91/84/328349184.db2.gz VFJAIEXZHYBRRO-MRVPVSSYSA-N 0 0 289.339 1.481 50 0 CDAARN C[C@H](Nc1cnn(CC(F)F)c1)C(=O)NC(C)(C)C ZINC000097377263 323208329 /nfs/dbraw/zinc/20/83/29/323208329.db2.gz BXNRVGQCJDSXCY-QMMMGPOBSA-N 0 0 274.315 1.863 50 0 CDAARN CCCNC(=O)[C@H](C)Nc1cnn(C(C)(C)C)c1 ZINC000186261302 323404797 /nfs/dbraw/zinc/40/47/97/323404797.db2.gz LFLPENOWWBFTOE-JTQLQIEISA-N 0 0 252.362 1.965 50 0 CDAARN Cc1noc(C[C@@H](NC(=O)c2cn[nH]c2)c2ccccc2)n1 ZINC000390835289 323820121 /nfs/dbraw/zinc/82/01/21/323820121.db2.gz JLSTVHJCZOZTFT-CYBMUJFWSA-N 0 0 297.318 1.815 50 0 CDAARN Cc1ccc(C(=O)NCCCN(C)S(C)(=O)=O)s1 ZINC000032915145 326898342 /nfs/dbraw/zinc/89/83/42/326898342.db2.gz KSXYVMPAZDJYKS-UHFFFAOYSA-N 0 0 290.410 1.068 50 0 CDAARN CC(C)OCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000011662321 329292081 /nfs/dbraw/zinc/29/20/81/329292081.db2.gz PIWSTNYEVNSRAZ-ZDUSSCGKSA-N 0 0 296.411 1.709 50 0 CDAARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CO ZINC000135962153 1159307637 /nfs/dbraw/zinc/30/76/37/1159307637.db2.gz QKKCKGJAVRSJDM-UHFFFAOYSA-N 0 0 253.261 1.453 50 0 CDAARN CS(=O)(=O)[C@H]1CCCN(c2ccc(F)cn2)CC1 ZINC000672276784 482534590 /nfs/dbraw/zinc/53/45/90/482534590.db2.gz RCGAFQKATKJSDU-NSHDSACASA-N 0 0 272.345 1.624 50 0 CDAARN O=C(N[C@H](CO)C1CC1)c1nc(C2CC2)n2ccccc12 ZINC000091082737 482537351 /nfs/dbraw/zinc/53/73/51/482537351.db2.gz FANRGGTUIANUAX-GFCCVEGCSA-N 0 0 285.347 1.712 50 0 CDAARN Cn1cc(CCCN(CCO)c2ccccc2)cn1 ZINC000085822875 482655835 /nfs/dbraw/zinc/65/58/35/482655835.db2.gz FZASPTFANUSROA-UHFFFAOYSA-N 0 0 259.353 1.852 50 0 CDAARN CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1cc(F)ccc1OC ZINC000585086011 482823061 /nfs/dbraw/zinc/82/30/61/482823061.db2.gz ZIUVXIVFZFKYBQ-CQSZACIVSA-N 0 0 294.370 1.929 50 0 CDAARN Cc1cc(N2CCC(c3nc(N)n[nH]3)CC2)nc(C)n1 ZINC000585092844 482827386 /nfs/dbraw/zinc/82/73/86/482827386.db2.gz QDJQSTZRVUKOFJ-UHFFFAOYSA-N 0 0 273.344 1.008 50 0 CDAARN Cc1nnc(CN(C)Cc2noc(C3CC3)n2)s1 ZINC000585094434 482828963 /nfs/dbraw/zinc/82/89/63/482828963.db2.gz CXDNDPRFBGGJDV-UHFFFAOYSA-N 0 0 265.342 1.739 50 0 CDAARN Cc1noc(C)c1CCC(=O)NCc1cnc2cnccn12 ZINC000670437038 482974973 /nfs/dbraw/zinc/97/49/73/482974973.db2.gz GKYMPEZUYJIBHB-UHFFFAOYSA-N 0 0 299.334 1.583 50 0 CDAARN CC(C)Cc1cc(C(=O)NCc2cnc3cnccn23)no1 ZINC000670444914 482994456 /nfs/dbraw/zinc/99/44/56/482994456.db2.gz KKLYPAGGVUKFGO-UHFFFAOYSA-N 0 0 299.334 1.846 50 0 CDAARN COCc1nc(CNC(C)=O)n(-c2cc(C)ccc2C)n1 ZINC000670450298 483008915 /nfs/dbraw/zinc/00/89/15/483008915.db2.gz ZIHQMWUUPPYEJA-UHFFFAOYSA-N 0 0 288.351 1.667 50 0 CDAARN Cc1nn(CCNC(=O)C[C@H]2CCOC2)c(C)c1C ZINC000670456634 483035736 /nfs/dbraw/zinc/03/57/36/483035736.db2.gz DKFRYVXVCQNKSI-CYBMUJFWSA-N 0 0 265.357 1.351 50 0 CDAARN COc1nc(N(C)CCCn2cccn2)ncc1F ZINC000670456245 483036038 /nfs/dbraw/zinc/03/60/38/483036038.db2.gz CMMBFVYXBSIIAH-UHFFFAOYSA-N 0 0 265.292 1.347 50 0 CDAARN COc1nc(N(C)CC2(CO)CCC2)ncc1F ZINC000670461343 483045420 /nfs/dbraw/zinc/04/54/20/483045420.db2.gz BTHRXJGTCMMRGJ-UHFFFAOYSA-N 0 0 255.293 1.223 50 0 CDAARN FC(F)(F)Cn1ncnc1C1(Cn2ccnc2)CC1 ZINC000670461966 483050893 /nfs/dbraw/zinc/05/08/93/483050893.db2.gz GJWDKUCLRIHYSX-UHFFFAOYSA-N 0 0 271.246 1.769 50 0 CDAARN CCn1ncc(CN(C)CC(=O)Nc2ccn(C)n2)c1C ZINC000670463007 483053528 /nfs/dbraw/zinc/05/35/28/483053528.db2.gz TTZIHMQLRWELKR-UHFFFAOYSA-N 0 0 290.371 1.015 50 0 CDAARN COCCc1nc([C@H]2CCCO2)n(-c2cccnc2)n1 ZINC000670468355 483059736 /nfs/dbraw/zinc/05/97/36/483059736.db2.gz SZHBRVJLKPOEBP-GFCCVEGCSA-N 0 0 274.324 1.703 50 0 CDAARN Cc1[nH]nc2c1C[N@H+](CCC(=O)NC1CCCCC1)CC2 ZINC000670468966 483061087 /nfs/dbraw/zinc/06/10/87/483061087.db2.gz PJRYQFVRLXDRGP-UHFFFAOYSA-N 0 0 290.411 1.915 50 0 CDAARN CCCc1nc(N2CCN(C(=O)C3CCC3)CC2)no1 ZINC000670470867 483073480 /nfs/dbraw/zinc/07/34/80/483073480.db2.gz YYGMEIQLJOMAGY-UHFFFAOYSA-N 0 0 278.356 1.471 50 0 CDAARN CN(C[C@@H]1Cc2ccccc2O1)c1ncnc2nc[nH]c21 ZINC000670473666 483083596 /nfs/dbraw/zinc/08/35/96/483083596.db2.gz FHYFNVKRPCRGCJ-NSHDSACASA-N 0 0 281.319 1.793 50 0 CDAARN Cc1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCc2ccccc21 ZINC000084044498 483235913 /nfs/dbraw/zinc/23/59/13/483235913.db2.gz YGCIQZGCLCDGAM-CYBMUJFWSA-N 0 0 298.346 1.471 50 0 CDAARN N#CN(CCOCCO)c1ccc(F)c(Cl)c1 ZINC000084344520 483272940 /nfs/dbraw/zinc/27/29/40/483272940.db2.gz LCTNXGOPVXADDS-UHFFFAOYSA-N 0 0 258.680 1.775 50 0 CDAARN CC(C)COC[C@H](C)NC(=O)CCCn1cccn1 ZINC000084544401 483286486 /nfs/dbraw/zinc/28/64/86/483286486.db2.gz HNMZGKPDXMKWQS-ZDUSSCGKSA-N 0 0 267.373 1.841 50 0 CDAARN C[C@H]1C[C@@H](OC(=O)c2cc(-c3ccco3)[nH]n2)C(=O)O1 ZINC000084686080 483312495 /nfs/dbraw/zinc/31/24/95/483312495.db2.gz KCOFABIBKUSERF-WRWORJQWSA-N 0 0 276.248 1.531 50 0 CDAARN CCCNC(=O)NC(=O)CSc1nccc(C)n1 ZINC000084756548 483324117 /nfs/dbraw/zinc/32/41/17/483324117.db2.gz INBIZFDDEMLDTL-UHFFFAOYSA-N 0 0 268.342 1.113 50 0 CDAARN CCN(C)c1ccc(-c2noc(Cn3cnnn3)n2)cc1 ZINC000084760915 483325063 /nfs/dbraw/zinc/32/50/63/483325063.db2.gz ITXCAYXNDKNYQC-UHFFFAOYSA-N 0 0 285.311 1.228 50 0 CDAARN CCN1N=C(C(=O)N[C@@H]2CCc3ccccc3C2)CCC1=O ZINC000084779851 483326555 /nfs/dbraw/zinc/32/65/55/483326555.db2.gz JCWISCNANBJQCX-CQSZACIVSA-N 0 0 299.374 1.658 50 0 CDAARN C=CC(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000791387718 1160767724 /nfs/dbraw/zinc/76/77/24/1160767724.db2.gz LLTRQCZAXWHDBQ-JTQLQIEISA-N 0 0 266.247 1.372 50 0 CDAARN O=c1[n-]c(N2CCC([NH+]3CCSCC3)CC2)ncc1F ZINC000032553316 1161074709 /nfs/dbraw/zinc/07/47/09/1161074709.db2.gz NQYSTQZDMLQNQZ-UHFFFAOYSA-N 0 0 298.387 1.339 50 0 CDAARN CCCS(=O)(=O)N1CCC2(C[C@H]2c2noc(C)n2)CC1 ZINC000581814243 1161982358 /nfs/dbraw/zinc/98/23/58/1161982358.db2.gz OPCOBZXMSBJBCN-NSHDSACASA-N 0 0 299.396 1.687 50 0 CDAARN C[C@]1(C(=O)NCc2cnc3c(c2)CCC3)CCCO1 ZINC000426488105 534166354 /nfs/dbraw/zinc/16/63/54/534166354.db2.gz DEHPHYDEJWOHDG-OAHLLOKOSA-N 0 0 260.337 1.756 50 0 CDAARN COC(=O)[C@@H](NCc1ccc(C(N)=O)cc1)C(C)(C)C ZINC000096473788 534280245 /nfs/dbraw/zinc/28/02/45/534280245.db2.gz XOVIYFBXGZRXLB-GFCCVEGCSA-N 0 0 278.352 1.463 50 0 CDAARN CC(C)C(=O)NCCNC(=O)c1c[nH]c2ccccc12 ZINC000012297079 519499601 /nfs/dbraw/zinc/49/96/01/519499601.db2.gz MSQNVNAVEXMMST-UHFFFAOYSA-N 0 0 273.336 1.670 50 0 biogenic CDAARN CCO[C@@H]1C[C@H]1C(=O)NCCN1c2ccccc2C[C@H]1C ZINC000252679496 520446147 /nfs/dbraw/zinc/44/61/47/520446147.db2.gz NJATWDBYMPYPHZ-XNRPHZJLSA-N 0 0 288.391 1.979 50 0 CDAARN Cc1cnc(C(=O)NCCOc2ccc(Cl)cn2)cn1 ZINC000096473253 534527280 /nfs/dbraw/zinc/52/72/80/534527280.db2.gz OPTCJVNBQFAYHO-UHFFFAOYSA-N 0 0 292.726 1.642 50 0 CDAARN COC(=O)C(C)(C)CNC(=O)NC1Cc2ccccc2C1 ZINC000186622671 522781938 /nfs/dbraw/zinc/78/19/38/522781938.db2.gz WATQMTCKYQDXAG-UHFFFAOYSA-N 0 0 290.363 1.652 50 0 CDAARN CSc1nc(C(=O)NC2=NCCS2)c2ccccn21 ZINC000193923541 526210643 /nfs/dbraw/zinc/21/06/43/526210643.db2.gz VDAUXNHOOALKNB-UHFFFAOYSA-N 0 0 292.389 1.889 50 0 CDAARN CC(=O)N(C)CCc1nc(-c2cc(C(N)=O)co2)cs1 ZINC000096483968 526468811 /nfs/dbraw/zinc/46/88/11/526468811.db2.gz JUVRXTFBGRZLOJ-UHFFFAOYSA-N 0 0 293.348 1.523 50 0 CDAARN O=C(CCNC(=O)c1ccco1)NCc1ccccc1F ZINC000006260580 526507974 /nfs/dbraw/zinc/50/79/74/526507974.db2.gz VUEGEJKOQKTBPP-UHFFFAOYSA-N 0 0 290.294 1.855 50 0 CDAARN O=C(CCO)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000223163990 526516955 /nfs/dbraw/zinc/51/69/55/526516955.db2.gz DGOMVMYYTFWZAK-LLVKDONJSA-N 0 0 266.316 1.151 50 0 CDAARN O=C(c1ccccc1)N1CCCN(Cc2ncc[nH]2)CC1 ZINC000111198749 526793104 /nfs/dbraw/zinc/79/31/04/526793104.db2.gz WAZFGGXNLOMIAE-UHFFFAOYSA-N 0 0 284.363 1.758 50 0 CDAARN CC(C)CC[C@](C)(O)CNC(=O)[C@H](C)n1cccn1 ZINC000096441024 527863072 /nfs/dbraw/zinc/86/30/72/527863072.db2.gz OIWSPOHDJDBEMB-JSGCOSHPSA-N 0 0 267.373 1.748 50 0 CDAARN CC(C)OCCS(=O)(=O)N(C)Cc1ccco1 ZINC000096444899 527985378 /nfs/dbraw/zinc/98/53/78/527985378.db2.gz FYMFELRFPWJYQA-UHFFFAOYSA-N 0 0 261.343 1.466 50 0 CDAARN CCNC(=O)N1CC[C@H](NC(=O)N2CCC[C@H](C)CC2)C1 ZINC000096474268 528147954 /nfs/dbraw/zinc/14/79/54/528147954.db2.gz XGNVXSOYVMNUHD-STQMWFEESA-N 0 0 296.415 1.622 50 0 CDAARN CC(C)Oc1cncc(C(=O)N(C)Cc2nccn2C)c1 ZINC000096476750 528270031 /nfs/dbraw/zinc/27/00/31/528270031.db2.gz JVJJDHISVDIDSJ-UHFFFAOYSA-N 0 0 288.351 1.875 50 0 CDAARN CC(C)C[C@H](NC(=O)C1CC=CC1)C(=O)Nc1cc[nH]n1 ZINC000096449552 528562217 /nfs/dbraw/zinc/56/22/17/528562217.db2.gz QZJOAWYHOWHTNR-LBPRGKRZSA-N 0 0 290.367 1.845 50 0 CDAARN CC(C)N1C(=O)C[C@H](NC(=O)/C=C/c2ccsc2)C1=O ZINC000096453161 528975991 /nfs/dbraw/zinc/97/59/91/528975991.db2.gz SXJJVCAPSDENRZ-UFFNRZRYSA-N 0 0 292.360 1.413 50 0 CDAARN CC(C)NC(=O)COC(=O)c1cnc2ccsc2c1 ZINC000096442057 529133167 /nfs/dbraw/zinc/13/31/67/529133167.db2.gz KAPRXBBQOLEQFD-UHFFFAOYSA-N 0 0 278.333 1.978 50 0 CDAARN CCCCC(=O)N1CCN(c2ccc(C)nn2)CC1 ZINC000035597926 534932339 /nfs/dbraw/zinc/93/23/39/534932339.db2.gz XXTOYBZYIIBOFP-UHFFFAOYSA-N 0 0 262.357 1.624 50 0 CDAARN CCc1cc2c([nH]c(N3CCN(C)CC3)nc2=O)s1 ZINC000000387967 536158713 /nfs/dbraw/zinc/15/87/13/536158713.db2.gz ROXZSXNJZUFWFB-UHFFFAOYSA-N 0 0 278.381 1.299 50 0 CDAARN COCCN(C)CC(=O)NC1(c2ccccc2)CC1 ZINC000243892355 536775704 /nfs/dbraw/zinc/77/57/04/536775704.db2.gz AGRWOGJNRLUFSH-UHFFFAOYSA-N 0 0 262.353 1.370 50 0 CDAARN COc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000018066035 538224564 /nfs/dbraw/zinc/22/45/64/538224564.db2.gz CBGKZEAGCJUUAT-TXEJJXNPSA-N 0 0 299.392 1.802 50 0 CDAARN O=C(NC1CCCCC1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000097162334 545522188 /nfs/dbraw/zinc/52/21/88/545522188.db2.gz UDQMHZCMTMXIGC-CYBMUJFWSA-N 0 0 294.399 1.518 50 0 CDAARN CC(C)CC(=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC000041396255 538324730 /nfs/dbraw/zinc/32/47/30/538324730.db2.gz YHZKMFVQDCDIKH-UHFFFAOYSA-N 0 0 266.385 1.894 50 0 CDAARN COC(=O)N1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000098013546 545574757 /nfs/dbraw/zinc/57/47/57/545574757.db2.gz JTHBVBGZZZDLDQ-GFCCVEGCSA-N 0 0 268.357 1.914 50 0 CDAARN Cc1nscc1C(=O)OCCCn1cccn1 ZINC000097138780 567904429 /nfs/dbraw/zinc/90/44/29/567904429.db2.gz FNGGWKSJNGIWAV-UHFFFAOYSA-N 0 0 251.311 1.895 50 0 CDAARN C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818482470 597151755 /nfs/dbraw/zinc/15/17/55/597151755.db2.gz XXVBMQMKWDKQND-LBPRGKRZSA-N 0 0 262.309 1.095 50 0 CDAARN CC[C@@H](C(=O)[O-])[NH+]1CCN(Cc2cscn2)CC1 ZINC000262485603 599753605 /nfs/dbraw/zinc/75/36/05/599753605.db2.gz YNJZFPCPKJFVEI-NSHDSACASA-N 0 0 269.370 1.124 50 0 CDAARN CO[C@@H](C(=O)N1CC[C@H](c2ncon2)C1)c1ccccc1 ZINC000952994808 617124174 /nfs/dbraw/zinc/12/41/74/617124174.db2.gz UYQDHLKQRJLQMN-QWHCGFSZSA-N 0 0 287.319 1.773 50 0 CDAARN Cc1nn(C)c(C)c1CNc1ncc2cccnc2n1 ZINC000888095602 617755824 /nfs/dbraw/zinc/75/58/24/617755824.db2.gz UGFLTKSRDYNXNB-UHFFFAOYSA-N 0 0 268.324 1.987 50 0 CDAARN CN(CCO)C(=O)Nc1ccsc1Br ZINC000888099753 617761018 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278184177 /nfs/dbraw/zinc/18/41/77/278184177.db2.gz YKAGSNJBOLPVNW-MRXNPFEDSA-N 0 0 266.300 1.767 50 0 CDAARN CC(=O)n1cc(-c2c(C)[nH][nH]c2=O)c2ccccc21 ZINC000100671264 278254344 /nfs/dbraw/zinc/25/43/44/278254344.db2.gz LWAAWXPHUVBIOH-CYBMUJFWSA-N 0 0 255.277 1.891 50 0 CDAARN CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O ZINC000002179536 278906377 /nfs/dbraw/zinc/90/63/77/278906377.db2.gz XXBXHIZBGAKJAP-UHFFFAOYSA-N 0 0 290.429 1.353 50 0 CDAARN Cc1nn(C)cc1C(=O)N1CCc2ccccc2C1 ZINC000012015551 279211595 /nfs/dbraw/zinc/21/15/95/279211595.db2.gz AKVNFYNLMIUSIL-UHFFFAOYSA-N 0 0 255.321 1.927 50 0 CDAARN O=C(c1cccnc1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000089793924 279267021 /nfs/dbraw/zinc/26/70/21/279267021.db2.gz DJTLVMQRIWYZHO-NSHDSACASA-N 0 0 288.269 1.857 50 0 CDAARN Cn1c(C(=O)N2CCCC2)cc2c1nc1ccccn1c2=O ZINC000002916946 279305437 /nfs/dbraw/zinc/30/54/37/279305437.db2.gz VSXNFQDCALCHCU-UHFFFAOYSA-N 0 0 296.330 1.422 50 0 CDAARN CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000001599070 279508266 /nfs/dbraw/zinc/50/82/66/279508266.db2.gz CEPUEFFXFOOTDZ-UHFFFAOYSA-N 0 0 264.144 1.747 50 0 CDAARN CCOC(=O)N1C[C@@H](C)N(C(=O)OCC)C[C@H]1C ZINC000000214532 279575503 /nfs/dbraw/zinc/57/55/03/279575503.db2.gz SWGPJPNOQKWDKT-NXEZZACHSA-N 0 0 258.318 1.694 50 0 CDAARN C[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)nn1 ZINC000096097810 279647597 /nfs/dbraw/zinc/64/75/97/279647597.db2.gz LZDYBBLTDPOUFQ-JTQLQIEISA-N 0 0 272.312 1.072 50 0 CDAARN O=C(Nc1ccncc1)c1cc2c([nH]c1=O)CCCC2 ZINC000068234473 280045171 /nfs/dbraw/zinc/04/51/71/280045171.db2.gz RSCYFQYCOFBUPM-UHFFFAOYSA-N 0 0 269.304 1.901 50 0 CDAARN C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000194728813 280051609 /nfs/dbraw/zinc/05/16/09/280051609.db2.gz UDEFAICGHRCHPH-NWDGAFQWSA-N 0 0 275.352 1.469 50 0 CDAARN O=C1OCC[C@@H]1n1nnc(-c2ccc(Cl)cc2)n1 ZINC000023890614 280307143 /nfs/dbraw/zinc/30/71/43/280307143.db2.gz NMRDIJLTGHITKA-VIFPVBQESA-N 0 0 264.672 1.482 50 0 CDAARN Cc1cc(NC(=O)c2cnn(-c3ccccc3)n2)no1 ZINC000009218762 280624267 /nfs/dbraw/zinc/62/42/67/280624267.db2.gz XGSYUWUSBWWPNO-UHFFFAOYSA-N 0 0 269.264 1.816 50 0 CDAARN Cc1ccc2c(c1)N(CC(=O)N1CCCC1)C(=O)[C@H](C)O2 ZINC000001362158 281077723 /nfs/dbraw/zinc/07/77/23/281077723.db2.gz IKRWMMCDTXSAAI-LBPRGKRZSA-N 0 0 288.347 1.731 50 0 CDAARN CC[C@H]1CN(C(=O)C(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000084735580 281127710 /nfs/dbraw/zinc/12/77/10/281127710.db2.gz NPONPKDCWREBMG-STQMWFEESA-N 0 0 268.401 1.602 50 0 CDAARN Cc1ccccc1OCCN(C)C(=O)[C@H]1CSCN1 ZINC000037802490 281352700 /nfs/dbraw/zinc/35/27/00/281352700.db2.gz ZRSBXXCCUOAEND-GFCCVEGCSA-N 0 0 280.393 1.495 50 0 CDAARN CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccsc1 ZINC000101706628 281399088 /nfs/dbraw/zinc/39/90/88/281399088.db2.gz UFCZKWZFRPCEBW-MRVPVSSYSA-N 0 0 263.318 1.941 50 0 CDAARN CC1(C)SC[C@H]2C(=O)N3[C@H](CSC3(C)C)C(=O)N21 ZINC000000227642 281434057 /nfs/dbraw/zinc/43/40/57/281434057.db2.gz VVHDYXKIFLVWSV-OCAPTIKFSA-N 0 0 286.422 1.360 50 0 biogenic CDAARN Cc1c[nH]c(NC(=O)[C@H]2CSc3ccccc32)n1 ZINC000095429544 289062804 /nfs/dbraw/zinc/06/28/04/289062804.db2.gz ZPUAKJYEDWGVIX-JTQLQIEISA-N 0 0 259.334 1.968 50 0 CDAARN Cc1csc(N2CCN([C@@H]3C[C@H](C)OC3=O)C[C@H]2C)n1 ZINC000106867935 293034812 /nfs/dbraw/zinc/03/48/12/293034812.db2.gz VFEBIGUUWYUGJD-GRYCIOLGSA-N 0 0 295.408 1.666 50 0 CDAARN Cc1csc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)n1 ZINC000004392294 293041768 /nfs/dbraw/zinc/04/17/68/293041768.db2.gz GRUBVTGETTWXGN-QMMMGPOBSA-N 0 0 274.367 1.215 50 0 CDAARN Cc1[nH]nc2c1[C@H](c1cccnc1)C1C(=O)OCC1=N2 ZINC000020086358 293128076 /nfs/dbraw/zinc/12/80/76/293128076.db2.gz SWYZQPXGGSDSGM-NSHDSACASA-N 0 0 268.276 1.481 50 0 CDAARN CON(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000016697238 293357088 /nfs/dbraw/zinc/35/70/88/293357088.db2.gz USINQMZZDNKSQW-VIFPVBQESA-N 0 0 288.344 1.378 50 0 CDAARN Cn1ccc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000075911445 294362447 /nfs/dbraw/zinc/36/24/47/294362447.db2.gz RRVLNFPOTNWZDZ-GFCCVEGCSA-N 0 0 292.360 1.095 50 0 CDAARN NC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCCC[C@H]3C2)C1 ZINC000246336759 295064751 /nfs/dbraw/zinc/06/47/51/295064751.db2.gz KZWAFLFYZLHKMB-AVGNSLFASA-N 0 0 279.384 1.426 50 0 CDAARN COc1ccc(OC)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000032674529 295174589 /nfs/dbraw/zinc/17/45/89/295174589.db2.gz ZKFUSQBUEQSMTG-GHMZBOCLSA-N 0 0 279.336 1.953 50 0 CDAARN Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000000037791 295353835 /nfs/dbraw/zinc/35/38/35/295353835.db2.gz IWWZCFFYGZRVHR-UHFFFAOYSA-N 0 0 257.131 1.868 50 0 CDAARN COc1ccccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000005515973 295367910 /nfs/dbraw/zinc/36/79/10/295367910.db2.gz MWAMRBVRNSVVKD-KOLCDFICSA-N 0 0 298.389 1.349 50 0 CDAARN O=C(C1CCOCC1)N1CC(=O)Nc2ccccc21 ZINC000032731281 295450406 /nfs/dbraw/zinc/45/04/06/295450406.db2.gz GBIYMHZGWDURQP-UHFFFAOYSA-N 0 0 260.293 1.398 50 0 CDAARN O=C(CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccccc1 ZINC000004018928 295495396 /nfs/dbraw/zinc/49/53/96/295495396.db2.gz LAFKZPDITZBAJG-JLUCKKNBSA-N 0 0 298.342 1.656 50 0 CDAARN O=C1NC(=S)NC1=Cc1ccc(Br)s1 ZINC000015930280 304658339 /nfs/dbraw/zinc/65/83/39/304658339.db2.gz QYPWTJFZSHMSHJ-HYXAFXHYSA-N 0 0 289.179 1.856 50 0 CDAARN Cc1cc(C)nc(-c2nc3c([nH]2)C(=O)NCC(C)(C)C3)n1 ZINC000095355188 301260261 /nfs/dbraw/zinc/26/02/61/301260261.db2.gz OPDPWLXTDVKKQO-UHFFFAOYSA-N 0 0 285.351 1.796 50 0 CDAARN Cc1ccc(C(=O)[O-])c(N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000067883923 301532316 /nfs/dbraw/zinc/53/23/16/301532316.db2.gz KINAVFJMDRBWIB-UHFFFAOYSA-N 0 0 275.352 1.668 50 0 CDAARN Cc1nnc(CN(C(=O)[C@H]2OCC[C@@H]2C)C(C)(C)C)o1 ZINC000095449750 302809802 /nfs/dbraw/zinc/80/98/02/302809802.db2.gz GVUGXFUXPQKSJC-CABZTGNLSA-N 0 0 281.356 1.930 50 0 CDAARN Cn1cc([C@@H]2CSCCN2C(=O)[C@H]2CCCO2)cn1 ZINC000191997875 302926552 /nfs/dbraw/zinc/92/65/52/302926552.db2.gz HPTWSBOBVDMDMP-NWDGAFQWSA-N 0 0 281.381 1.216 50 0 CDAARN CCO[C@H]1C[C@](O)(CNC(=O)c2ccoc2C)C1(C)C ZINC000191692037 327874070 /nfs/dbraw/zinc/87/40/70/327874070.db2.gz VZVLRGUIWKQMQG-WFASDCNBSA-N 0 0 281.352 1.884 50 0 CDAARN Cc1nnsc1C(=O)Nc1cnn(C(C)C)c1 ZINC000577319153 317306348 /nfs/dbraw/zinc/30/63/48/317306348.db2.gz WQTUIEJESKMQMS-UHFFFAOYSA-N 0 0 251.315 1.876 50 0 CDAARN CCCn1ncnc1[C@H](C)NC(=O)c1nn(C)cc1Cl ZINC000534576803 328310234 /nfs/dbraw/zinc/31/02/34/328310234.db2.gz VOHXLGBZMHMDDN-QMMMGPOBSA-N 0 0 296.762 1.566 50 0 CDAARN Cc1cc(-c2nccc(N3CCC(O)CC3)n2)n[nH]1 ZINC000534587904 328316217 /nfs/dbraw/zinc/31/62/17/328316217.db2.gz YXXIHXJWNBZUDN-UHFFFAOYSA-N 0 0 259.313 1.136 50 0 CDAARN O=C(NCC[C@@H]1CCCOC1)c1cnc(C2CC2)[nH]c1=O ZINC000534642894 328329122 /nfs/dbraw/zinc/32/91/22/328329122.db2.gz FKKPXTFMKKIESG-JTQLQIEISA-N 0 0 291.351 1.606 50 0 CDAARN Cc1nc(SCC(=O)NCc2nccn2C(C)C)n[nH]1 ZINC000534643812 328329585 /nfs/dbraw/zinc/32/95/85/328329585.db2.gz DDTXKWUMFBQNJV-UHFFFAOYSA-N 0 0 294.384 1.299 50 0 CDAARN CCCc1nc(CNC(=O)CCc2nncn2C)cs1 ZINC000534631093 328331345 /nfs/dbraw/zinc/33/13/45/328331345.db2.gz VMHGHSBBIJSRAD-UHFFFAOYSA-N 0 0 293.396 1.473 50 0 CDAARN COC[C@H](NC(=O)c1nn(C)cc1Cl)c1ccccn1 ZINC000534636364 328333692 /nfs/dbraw/zinc/33/36/92/328333692.db2.gz INBXUZWUYCGCEO-NSHDSACASA-N 0 0 294.742 1.586 50 0 CDAARN Cc1cc(=O)cc(C(=O)N[C@H](C)c2ncccc2C)[nH]1 ZINC000534638536 328334961 /nfs/dbraw/zinc/33/49/61/328334961.db2.gz XNELZVYTCZETPD-LLVKDONJSA-N 0 0 271.320 1.878 50 0 CDAARN C[C@@H]1[N@H+](Cc2cnc(N(C)CC(=O)[O-])nc2)CCC1(C)C ZINC000534652508 328338175 /nfs/dbraw/zinc/33/81/75/328338175.db2.gz UQXTUDYJXJWNIB-NSHDSACASA-N 0 0 292.383 1.618 50 0 CDAARN CCNc1nc(C)c(C(=O)N[C@@H](C)c2nc(C)c[nH]2)s1 ZINC000534658781 328341262 /nfs/dbraw/zinc/34/12/62/328341262.db2.gz KNJHQLPALYWYKN-VIFPVBQESA-N 0 0 293.396 1.828 50 0 CDAARN CCCn1ncnc1[C@@H](C)NC(=O)c1ccn(C)c1C ZINC000534666949 328345674 /nfs/dbraw/zinc/34/56/74/328345674.db2.gz QYOOWIGFOWEYJI-SNVBAGLBSA-N 0 0 275.356 1.826 50 0 CDAARN CN1CCN(C(=O)c2ccnc(-c3ccoc3)c2)CC1 ZINC000534676272 328351765 /nfs/dbraw/zinc/35/17/65/328351765.db2.gz AAIWKWZWXVQOQL-UHFFFAOYSA-N 0 0 271.320 1.729 50 0 CDAARN O=C(NC[C@@H]1CCCO1)c1ccc(-c2cncc(=O)[nH]2)cc1 ZINC000534675437 328356115 /nfs/dbraw/zinc/35/61/15/328356115.db2.gz URXFZIDPGUILFY-ZDUSSCGKSA-N 0 0 299.330 1.758 50 0 CDAARN CCO[C@H](C)c1nccn1Cc1nnnn1C(C)C ZINC000097378337 323208349 /nfs/dbraw/zinc/20/83/49/323208349.db2.gz WOSWQVDDCXVPDS-SNVBAGLBSA-N 0 0 264.333 1.596 50 0 CDAARN O=C(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000001326078 326794228 /nfs/dbraw/zinc/79/42/28/326794228.db2.gz IHSVKIQLCNMTQO-UHFFFAOYSA-N 0 0 293.330 1.635 50 0 biogenic CDAARN C[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@H](C)O1 ZINC000029922407 326885455 /nfs/dbraw/zinc/88/54/55/326885455.db2.gz RXJUVKKCTTWUFO-UWVGGRQHSA-N 0 0 263.297 1.939 50 0 CDAARN COCCN1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC1=O ZINC000032796699 329516535 /nfs/dbraw/zinc/51/65/35/329516535.db2.gz XFEZQIABFVMINW-NSHDSACASA-N 0 0 292.335 1.129 50 0 CDAARN C[C@@H]1CCN(c2noc(-c3ccccc3)n2)C[C@H]1O ZINC000253369491 329962618 /nfs/dbraw/zinc/96/26/18/329962618.db2.gz DCQOCNKAEUIDRP-ZYHUDNBSSA-N 0 0 259.309 1.944 50 0 CDAARN COc1ncc(C(=O)NCc2snnc2C(C)C)cn1 ZINC000426544764 330511683 /nfs/dbraw/zinc/51/16/83/330511683.db2.gz MJBCALACUQUMFE-UHFFFAOYSA-N 0 0 293.352 1.390 50 0 CDAARN Ic1cccc2c1N1CCN2CC1 ZINC000000236758 336185634 /nfs/dbraw/zinc/18/56/34/336185634.db2.gz XAJAZEGOKNWPLB-UHFFFAOYSA-N 0 0 286.116 1.931 50 0 CDAARN CCc1csc(CNc2nnc(CNC)o2)n1 ZINC001772708645 1159443042 /nfs/dbraw/zinc/44/30/42/1159443042.db2.gz JWXRLTYAODVHHN-UHFFFAOYSA-N 0 0 253.331 1.420 50 0 CDAARN COCc1nnc(N(C)Cc2[nH]nc3c2CCCCC3)o1 ZINC001772710616 1159444016 /nfs/dbraw/zinc/44/40/16/1159444016.db2.gz QKQLKOZPPKNHGZ-UHFFFAOYSA-N 0 0 291.355 1.844 50 0 CDAARN COC(=O)c1ccncc1I ZINC000002525006 482201558 /nfs/dbraw/zinc/20/15/58/482201558.db2.gz XZUYSNLMTTZFDY-UHFFFAOYSA-N 0 0 263.034 1.473 50 0 CDAARN CN(CC(=O)N1CCCC1)C(=O)c1cccc(F)c1 ZINC000012927527 482767624 /nfs/dbraw/zinc/76/76/24/482767624.db2.gz IIDDJJURXICISZ-UHFFFAOYSA-N 0 0 264.300 1.520 50 0 CDAARN CN(Cc1ncc[nH]1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000585086392 482822893 /nfs/dbraw/zinc/82/28/93/482822893.db2.gz QMUPZDUGNFTIJL-UHFFFAOYSA-N 0 0 288.307 1.845 50 0 CDAARN COC[C@@H](NS(=O)(=O)C1CC1)c1cccc(OC)c1 ZINC000585091988 482826512 /nfs/dbraw/zinc/82/65/12/482826512.db2.gz ZQAQXWNBLUULQE-CYBMUJFWSA-N 0 0 285.365 1.465 50 0 CDAARN CC(C)(C)c1ccc(CNC(=O)NC[C@@H](O)CO)cc1 ZINC000670440848 482985328 /nfs/dbraw/zinc/98/53/28/482985328.db2.gz YOESNUSPZIBBSX-CYBMUJFWSA-N 0 0 280.368 1.137 50 0 CDAARN COc1c(F)cccc1CN(C)Cc1nncn1C ZINC000670445411 482993704 /nfs/dbraw/zinc/99/37/04/482993704.db2.gz ZNLWKFMMZKKXBN-UHFFFAOYSA-N 0 0 264.304 1.595 50 0 CDAARN CC(C)Cc1nc(CN2CCc3nocc3C2)no1 ZINC000670449771 483010166 /nfs/dbraw/zinc/01/01/66/483010166.db2.gz FRHYCHAYTOEJQT-UHFFFAOYSA-N 0 0 262.313 1.814 50 0 CDAARN Cn1c(CO)nnc1[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000670453410 483023525 /nfs/dbraw/zinc/02/35/25/483023525.db2.gz HMESOSJGUHLNHU-AWEZNQCLSA-N 0 0 290.411 1.987 50 0 CDAARN CC(C)(O)[C@@H]1CCN(C(=O)CCC(=O)NC2CCCC2)C1 ZINC000670462328 483048839 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/nfs/dbraw/zinc/79/87/87/175798787.db2.gz GXZXUMRTXFGZTN-UHFFFAOYSA-N 0 0 287.319 1.505 50 0 CDAARN O=C(N[C@@H]1C=CS(=O)(=O)C1)c1cnc2ccccc2c1 ZINC000067934546 175802116 /nfs/dbraw/zinc/80/21/16/175802116.db2.gz CTFKIVPOAGNKPS-GFCCVEGCSA-N 0 0 288.328 1.275 50 0 CDAARN Cc1nnnn1-c1cccc(C(=O)NCc2ccncc2)c1 ZINC000071286130 176109679 /nfs/dbraw/zinc/10/96/79/176109679.db2.gz DDMHGZFKLCKJLF-UHFFFAOYSA-N 0 0 294.318 1.296 50 0 CDAARN CC(=O)N=c1sccn1CC(=O)c1cccs1 ZINC000071771511 176262233 /nfs/dbraw/zinc/26/22/33/176262233.db2.gz VHUVQKJDONXCTM-QXMHVHEDSA-N 0 0 266.347 1.941 50 0 CDAARN Cc1cc(=O)c(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)c[nH]1 ZINC000072123968 176320235 /nfs/dbraw/zinc/32/02/35/176320235.db2.gz IHMNGCHFVHHLEV-WVKUQDAKSA-N 0 0 272.348 1.801 50 0 CDAARN Cc1ccc(F)cc1NC(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC000072145841 176324865 /nfs/dbraw/zinc/32/48/65/176324865.db2.gz OKOCCKMRHOBGAX-ZWNOBZJWSA-N 0 0 282.315 1.341 50 0 CDAARN c1cc2c(ncnc2N2CC(c3cccnc3)C2)[nH]1 ZINC000072169643 176332317 /nfs/dbraw/zinc/33/23/17/176332317.db2.gz HFUGOHVQDQCCEO-UHFFFAOYSA-N 0 0 251.293 1.957 50 0 CDAARN COC[C@@H]1CCCN1Cc1cn(-c2ccccc2)nn1 ZINC000072172437 176333102 /nfs/dbraw/zinc/33/31/02/176333102.db2.gz OERLOWAWVVLRDC-HNNXBMFYSA-N 0 0 272.352 1.878 50 0 CDAARN COC(=O)C[C@H](c1ccco1)c1c(O)cc(C)[nH]c1=O ZINC000072403911 176397432 /nfs/dbraw/zinc/39/74/32/176397432.db2.gz DOXJSUSLUPOHAR-SECBINFHSA-N 0 0 277.276 1.677 50 0 CDAARN Cc1nc2ccccc2n(CC(=O)Nc2cccnc2)c1=O ZINC000072404755 176397554 /nfs/dbraw/zinc/39/75/54/176397554.db2.gz JJWZCAIJPAWLAB-UHFFFAOYSA-N 0 0 294.314 1.739 50 0 CDAARN Cc1cc(C(=O)N2CCN(Cc3ncccc3C)CC2)[nH]n1 ZINC000072407707 176397715 /nfs/dbraw/zinc/39/77/15/176397715.db2.gz BYPSJJAVSCHVCQ-UHFFFAOYSA-N 0 0 299.378 1.380 50 0 CDAARN CCc1ccc(OC)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000074935067 176637551 /nfs/dbraw/zinc/63/75/51/176637551.db2.gz UOCLCXYCSNGIEA-GFCCVEGCSA-N 0 0 299.392 1.715 50 0 CDAARN O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCC[C@H](O)C1 ZINC000075156897 176667891 /nfs/dbraw/zinc/66/78/91/176667891.db2.gz ZNHRNDVREKKWIJ-HOQBHHMFSA-N 0 0 281.377 1.880 50 0 CDAARN Cc1ccc(NC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1C ZINC000077108289 177224949 /nfs/dbraw/zinc/22/49/49/177224949.db2.gz ISHKCHJABWUCTL-CQSZACIVSA-N 0 0 290.363 1.519 50 0 CDAARN NC(=O)NCC(=O)N1CCCC[C@@H]1CCc1ccccc1 ZINC000077320789 177252356 /nfs/dbraw/zinc/25/23/56/177252356.db2.gz PMBNOOKMPMITKJ-CQSZACIVSA-N 0 0 289.379 1.669 50 0 CDAARN CC(C)CN1CCN(C(=O)c2ccon2)[C@@H](C)C1=O ZINC000077323102 177253055 /nfs/dbraw/zinc/25/30/55/177253055.db2.gz HLLQUPMDSJPLOK-JTQLQIEISA-N 0 0 265.313 1.004 50 0 CDAARN Cn1ccc2c1nccc2-c1ccc(S(N)(=O)=O)s1 ZINC000077340454 177254250 /nfs/dbraw/zinc/25/42/50/177254250.db2.gz ADAYOBKZBIVWSQ-UHFFFAOYSA-N 0 0 293.373 1.949 50 0 CDAARN COCCC[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000077453459 177270312 /nfs/dbraw/zinc/27/03/12/177270312.db2.gz LLBSUBGWGMNGEJ-LBPRGKRZSA-N 0 0 265.357 1.997 50 0 CDAARN COC(=O)c1cc(I)c(F)cc1N ZINC000306383836 260122239 /nfs/dbraw/zinc/12/22/39/260122239.db2.gz AQKDYPGTTAXJRF-UHFFFAOYSA-N 0 0 295.051 1.799 50 0 CDAARN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000026207350 260130804 /nfs/dbraw/zinc/13/08/04/260130804.db2.gz XZAFVBLKZOIMHS-LBPRGKRZSA-N 0 0 276.336 1.658 50 0 CDAARN CC[C@H](CO)NC(=O)c1cc(OC)ccc1OC ZINC000032802058 260145826 /nfs/dbraw/zinc/14/58/26/260145826.db2.gz RRCUCGRCFAHHIA-SECBINFHSA-N 0 0 253.298 1.205 50 0 CDAARN CCCn1cnnc1[C@@H](C)NC(=O)c1cc(OC)ccn1 ZINC000426538395 260863818 /nfs/dbraw/zinc/86/38/18/260863818.db2.gz OTITUZFWOVFZTO-SNVBAGLBSA-N 0 0 289.339 1.583 50 0 CDAARN CC(C)CC1(C(=O)NCC2N=NC(=S)N2C)CCC1 ZINC000119085790 423947641 /nfs/dbraw/zinc/94/76/41/423947641.db2.gz SPSGIWJNUICYGP-UHFFFAOYSA-N 0 0 282.413 1.936 50 0 CDAARN O=C(NC1(Cc2ccc(F)cc2)CC1)[C@@H]1CNC(=O)C1 ZINC000519327169 265393950 /nfs/dbraw/zinc/39/39/50/265393950.db2.gz JGCLKAXQTGVRGV-NSHDSACASA-N 0 0 276.311 1.153 50 0 CDAARN CN1C(=O)C(=O)N(c2cccc(Br)c2)C1=O ZINC000002836657 277006161 /nfs/dbraw/zinc/00/61/61/277006161.db2.gz WHNGXESTBGFLSV-UHFFFAOYSA-N 0 0 283.081 1.374 50 0 CDAARN CC(=O)N1NC(C(F)(F)F)=C[C@]1(O)c1cccnc1 ZINC000000062762 277021092 /nfs/dbraw/zinc/02/10/92/277021092.db2.gz CZWHCLGUZSQMPW-JTQLQIEISA-N 0 0 273.214 1.397 50 0 CDAARN CC(=O)Nc1c2[nH]onc-2c(Br)cc1=O ZINC000000200583 277062069 /nfs/dbraw/zinc/06/20/69/277062069.db2.gz BPEAUCQHFNJRES-UHFFFAOYSA-N 0 0 272.058 1.649 50 0 CDAARN CC(C)(C)OC(=O)N1CCc2ncc(C=O)n2CC1 ZINC000091303758 277194726 /nfs/dbraw/zinc/19/47/26/277194726.db2.gz JILQEJQCJIJDDT-UHFFFAOYSA-N 0 0 265.313 1.489 50 0 CDAARN COC[C@@H](C)NC(=O)Nc1cscc1C(=O)OC ZINC000095456096 277244942 /nfs/dbraw/zinc/24/49/42/277244942.db2.gz AAKPAVPVGAHMPE-SSDOTTSWSA-N 0 0 272.326 1.691 50 0 CDAARN COc1ccc(-c2nc3[nH]c4c(c(=O)n3n2)CCCC4)cc1 ZINC000100250530 277397416 /nfs/dbraw/zinc/39/74/16/277397416.db2.gz VQZALXSLLGUMCS-UHFFFAOYSA-N 0 0 296.330 1.972 50 0 CDAARN COc1ccc(Cl)c2c1N(C)C(=O)[C@@H]2NC(C)=O ZINC000006662821 277414992 /nfs/dbraw/zinc/41/49/92/277414992.db2.gz NHRKFZYVIXARNT-SNVBAGLBSA-N 0 0 268.700 1.502 50 0 CDAARN CC(=O)CN1c2ccccc2N(C(C)=O)CCC1=O ZINC000000384188 277946308 /nfs/dbraw/zinc/94/63/08/277946308.db2.gz NRLSKIUOKBTDJG-UHFFFAOYSA-N 0 0 260.293 1.365 50 0 CDAARN COc1cccc(-n2nnc3c2nc[nH]c3=S)c1 ZINC000019723970 278006902 /nfs/dbraw/zinc/00/69/02/278006902.db2.gz OZHOQVOHDRAENL-UHFFFAOYSA-N 0 0 259.294 1.882 50 0 CDAARN C[C@@H]1Cc2ccccc2N1C(=O)C1=NNC(=O)CC1 ZINC000035127466 278040601 /nfs/dbraw/zinc/04/06/01/278040601.db2.gz AIQMSPBSZGTIIJ-SECBINFHSA-N 0 0 257.293 1.230 50 0 CDAARN CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)[O-])cc1 ZINC000408525768 278049202 /nfs/dbraw/zinc/04/92/02/278049202.db2.gz OVPXDNZBEMTQHN-LLVKDONJSA-N 0 0 250.298 1.011 50 0 CDAARN CSc1nc2oc3c(c2c2nnnn21)CC(C)(C)OC3 ZINC000000197414 278180531 /nfs/dbraw/zinc/18/05/31/278180531.db2.gz QBZWKCOLAUYDNQ-UHFFFAOYSA-N 0 0 291.336 1.839 50 0 CDAARN CC(=O)OC(OC(C)=O)(c1ccncc1)c1ncccn1 ZINC000012364496 278217749 /nfs/dbraw/zinc/21/77/49/278217749.db2.gz QHJXRZMQIOKIKJ-UHFFFAOYSA-N 0 0 287.275 1.199 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC000040448758 278384133 /nfs/dbraw/zinc/38/41/33/278384133.db2.gz CYBYEGNEBRILCO-UHFFFAOYSA-N 0 0 270.329 1.886 50 0 CDAARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccco2)N1 ZINC000000330982 278510145 /nfs/dbraw/zinc/51/01/45/278510145.db2.gz CNOZOOHUFWDWDQ-SECBINFHSA-N 0 0 262.187 1.752 50 0 CDAARN C[C@H]1Oc2ccc(NC(=O)c3cnccn3)cc2NC1=O ZINC000013004417 278528180 /nfs/dbraw/zinc/52/81/80/278528180.db2.gz VDSGYBIHJZWSGA-MRVPVSSYSA-N 0 0 284.275 1.448 50 0 CDAARN CC1CCN(S(=O)(=O)N2CCn3cccc3[C@H]2C)CC1 ZINC000023017517 278549624 /nfs/dbraw/zinc/54/96/24/278549624.db2.gz DFUCGYZZTOARJZ-CYBMUJFWSA-N 0 0 297.424 1.841 50 0 CDAARN CC(C)CCNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000024441158 278767402 /nfs/dbraw/zinc/76/74/02/278767402.db2.gz XOENQQSIHFXWSX-GWCFXTLKSA-N 0 0 270.398 1.603 50 0 CDAARN CN1C[C@@H](C(=O)N2CCC(c3ccccc3)CC2)CC1=O ZINC000032367634 279139298 /nfs/dbraw/zinc/13/92/98/279139298.db2.gz UYFPPAUBUZINNZ-HNNXBMFYSA-N 0 0 286.375 1.871 50 0 CDAARN C[C@H](C(=O)N(C)C)N(C)Cc1cccn1-c1ncccn1 ZINC000065526078 279181769 /nfs/dbraw/zinc/18/17/69/279181769.db2.gz DOMBKJMDRVLANP-GFCCVEGCSA-N 0 0 287.367 1.176 50 0 CDAARN O=C([C@@H]1CCCCO1)N1CCc2ccccc2[C@H]1CO ZINC000185677465 280083311 /nfs/dbraw/zinc/08/33/11/280083311.db2.gz OUTCYBRBNNBUPF-CABCVRRESA-N 0 0 275.348 1.674 50 0 CDAARN O=C1NC(=O)[C@@H](c2ccc(Br)cc2)N1 ZINC000001067394 280279747 /nfs/dbraw/zinc/27/97/47/280279747.db2.gz JMRHMDVCJFYNGR-SSDOTTSWSA-N 0 0 255.071 1.330 50 0 CDAARN CCN1C[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)CC1=O ZINC000246746015 280302073 /nfs/dbraw/zinc/30/20/73/280302073.db2.gz JHVMCSHURDZSOJ-JHJVBQTASA-N 0 0 264.369 1.646 50 0 CDAARN C[C@@H]1CN(c2cnn(C)c(=O)c2Cl)C[C@@H](C)O1 ZINC000013627334 288272911 /nfs/dbraw/zinc/27/29/11/288272911.db2.gz APOJSLBBRJIMKM-HTQZYQBOSA-N 0 0 257.721 1.047 50 0 CDAARN Cc1ccc([C@@H](C(=O)NC2CCOCC2)N(C)C)cc1 ZINC000095352674 280936635 /nfs/dbraw/zinc/93/66/35/280936635.db2.gz MZQBCUSZXVCTOB-HNNXBMFYSA-N 0 0 276.380 1.893 50 0 CDAARN CC(C)c1cc(NC[C@H](CO)Cc2ccco2)ncn1 ZINC000521919636 281078463 /nfs/dbraw/zinc/07/84/63/281078463.db2.gz UAVDAFGGTCRLMU-GFCCVEGCSA-N 0 0 275.352 1.878 50 0 CDAARN CC1(C)OC(=O)C(=C2[C@H]3[C@H]4[C@H]5[C@@H]3C[C@@H]3[C@H]5C[C@H]4[C@H]23)C(=O)O1 ZINC000245227150 281398498 /nfs/dbraw/zinc/39/84/98/281398498.db2.gz COXGRXDNDZYQON-VGEDYCIUSA-N 0 0 286.327 1.897 50 0 CDAARN NC(=O)N1CCC[C@H]1C(=O)NCc1cc2ccccc2o1 ZINC000530614787 281558332 /nfs/dbraw/zinc/55/83/32/281558332.db2.gz UTPOLRCJLAVLFE-LBPRGKRZSA-N 0 0 287.319 1.592 50 0 CDAARN CC12CN3CC(C)(CN(C1)C3C1CCCC1)C2O ZINC000019330146 281611792 /nfs/dbraw/zinc/61/17/92/281611792.db2.gz ORHGFILRNAPJHY-UHFFFAOYSA-N 0 0 250.386 1.521 50 0 biogenic CDAARN CCn1cc(Cl)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)n1 ZINC000002777750 281624028 /nfs/dbraw/zinc/62/40/28/281624028.db2.gz UJGNBHNBMUEFKS-IUCAKERBSA-N 0 0 271.748 1.806 50 0 CDAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000032768022 288815689 /nfs/dbraw/zinc/81/56/89/288815689.db2.gz SNGKGDSQPMUPEK-ZYHUDNBSSA-N 0 0 279.361 1.399 50 0 CDAARN Cc1ccc(CNC(=O)c2cccc(=O)n2C)cc1 ZINC000095440968 289062775 /nfs/dbraw/zinc/06/27/75/289062775.db2.gz IFHDHKGYCFXQEU-UHFFFAOYSA-N 0 0 256.305 1.624 50 0 CDAARN CC(C)[C@@H]1CN(C(=O)c2cn3cccnc3n2)CCS1 ZINC000095403689 289062853 /nfs/dbraw/zinc/06/28/53/289062853.db2.gz NOZQQGUCBNNDTG-LBPRGKRZSA-N 0 0 290.392 1.943 50 0 CDAARN CN1CCN(C(=O)[C@@H]2CCCOC2)Cc2ccccc21 ZINC000089382831 290020504 /nfs/dbraw/zinc/02/05/04/290020504.db2.gz VIYMHJVPWDDFKE-CQSZACIVSA-N 0 0 274.364 1.892 50 0 CDAARN Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2ccccc2C1 ZINC000006948226 293104765 /nfs/dbraw/zinc/10/47/65/293104765.db2.gz KRMQGGRFSLKKLX-UHFFFAOYSA-N 0 0 291.376 1.774 50 0 CDAARN Cc1nc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c(C)s1 ZINC000220551862 293192500 /nfs/dbraw/zinc/19/25/00/293192500.db2.gz ZDNLIYFAHQGBJZ-UTLUCORTSA-N 0 0 252.339 1.667 50 0 CDAARN 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C[C@H]1CN(S(C)(=O)=O)c2ccccc2N(C)C1=O ZINC000097002791 300291224 /nfs/dbraw/zinc/29/12/24/300291224.db2.gz NMDPUWOAUDNUKT-VIFPVBQESA-N 0 0 268.338 1.065 50 0 CDAARN Cc1c([C@@H]2CC(=O)Nc3c2c(=O)[nH]n3C(C)C)cnn1C ZINC000071281697 300993001 /nfs/dbraw/zinc/99/30/01/300993001.db2.gz JKUHEPHXAVYRQE-VIFPVBQESA-N 0 0 289.339 1.923 50 0 CDAARN Cc1ccc(C)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000005516343 301547514 /nfs/dbraw/zinc/54/75/14/301547514.db2.gz SEQZVUSMCLJQNZ-NEPJUHHUSA-N 0 0 296.417 1.957 50 0 CDAARN Cc1nc2ccccc2nc1CN1C(=O)[C@H]2CCCN2C1=O ZINC000009515392 302667484 /nfs/dbraw/zinc/66/74/84/302667484.db2.gz NSSZHFMRGIPITR-CQSZACIVSA-N 0 0 296.330 1.865 50 0 CDAARN Cc1n[nH]cc1-c1ccc([C@H](O)CN2CCOCC2)cc1 ZINC000534578155 328310807 /nfs/dbraw/zinc/31/08/07/328310807.db2.gz SBZWXQWUILSKDN-MRXNPFEDSA-N 0 0 287.363 1.751 50 0 CDAARN CC[NH+]1CCN(C(C)(C)CN=c2[n-]nc(C)s2)CC1 ZINC000534585011 328315110 /nfs/dbraw/zinc/31/51/10/328315110.db2.gz MZHFQZVDZIVAFL-UHFFFAOYSA-N 0 0 283.445 1.096 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Cc1cc(C)nc(N[C@H](C)c2nnc3n2CCC3)n1 ZINC000095465983 358927314 /nfs/dbraw/zinc/92/73/14/358927314.db2.gz JTAASNDVJWJVSV-SNVBAGLBSA-N 0 0 258.329 1.804 50 0 CDAARN COC(=O)Cn1cnc2c3ccccc3[nH]c2c1=O ZINC000000526269 366521840 /nfs/dbraw/zinc/52/18/40/366521840.db2.gz OJJJNJREOLVSPS-UHFFFAOYSA-N 0 0 257.249 1.051 50 0 biogenic CDAARN Cc1nc([C@@H]2CCCN(Cc3cncn3C)C2)no1 ZINC000216302459 358936198 /nfs/dbraw/zinc/93/61/98/358936198.db2.gz SMYIUOFSTHLWIZ-LLVKDONJSA-N 0 0 261.329 1.491 50 0 CDAARN CN1CCN(C(=O)c2cccc(N)n2)C[C@@H]1c1ccccc1 ZINC000216341438 358938525 /nfs/dbraw/zinc/93/85/25/358938525.db2.gz KQWKBTQDTDSHFC-OAHLLOKOSA-N 0 0 296.374 1.793 50 0 CDAARN CCCOc1cc(/C=C2/NC(=S)NC2=O)ccc1OC ZINC000033399311 359003571 /nfs/dbraw/zinc/00/35/71/359003571.db2.gz GQBKDFKDFRQMMP-JXMROGBWSA-N 0 0 292.360 1.829 50 0 CDAARN CCCc1cc(N2C[C@H](O)[C@@H](OCC)C2)nc(C)n1 ZINC000219287890 359086395 /nfs/dbraw/zinc/08/63/95/359086395.db2.gz HGXNCCVFHXBNGJ-STQMWFEESA-N 0 0 265.357 1.324 50 0 CDAARN 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/nfs/dbraw/zinc/21/45/17/180214517.db2.gz UGKREQKLHSBKAO-RNCFNFMXSA-N 0 0 283.397 1.048 50 0 CDAARN CNC(=O)c1ccc(Cn2cc(C[C@H](C)SC)nn2)o1 ZINC000091664961 180220885 /nfs/dbraw/zinc/22/08/85/180220885.db2.gz SFZAFDPWXWMSLT-VIFPVBQESA-N 0 0 294.380 1.573 50 0 CDAARN CS(=O)(=O)N1CCCC[C@H]1CCNc1ccncn1 ZINC000091713414 180231175 /nfs/dbraw/zinc/23/11/75/180231175.db2.gz GHSQHUJXIXBXKY-NSHDSACASA-N 0 0 284.385 1.093 50 0 CDAARN COCC1(CNC(=O)c2cc(CC(C)C)nn2C)CC1 ZINC000091724715 180242417 /nfs/dbraw/zinc/24/24/17/180242417.db2.gz KTMKAFCZOYRXMV-UHFFFAOYSA-N 0 0 279.384 1.775 50 0 CDAARN Cc1cc(CC(=O)N2CCC[C@@]3(CCOC3)C2)on1 ZINC000091746142 180245482 /nfs/dbraw/zinc/24/54/82/180245482.db2.gz DUHKOSPGLDZNGC-CQSZACIVSA-N 0 0 264.325 1.555 50 0 CDAARN CCn1nccc1C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000013699156 365961587 /nfs/dbraw/zinc/96/15/87/365961587.db2.gz ZMIBWOGJPPQSTK-UHFFFAOYSA-N 0 0 284.275 1.039 50 0 CDAARN Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1CCC(=O)N1 ZINC000108347725 186212470 /nfs/dbraw/zinc/21/24/70/186212470.db2.gz FUXDKVFUELFSIC-SNVBAGLBSA-N 0 0 278.356 1.226 50 0 CDAARN CC(=O)Oc1ccc(/C=C\C(N)=O)cc1OC(C)=O ZINC000108646259 186225294 /nfs/dbraw/zinc/22/52/94/186225294.db2.gz DUWHMOBTGPUYEL-XQRVVYSFSA-N 0 0 263.249 1.036 50 0 biogenic CDAARN CCCc1nnc([C@@H]2CN(C[C@H]3CCCO3)CCO2)[nH]1 ZINC000257366002 350964413 /nfs/dbraw/zinc/96/44/13/350964413.db2.gz FRHLNHMVDWVYBE-NEPJUHHUSA-N 0 0 280.372 1.310 50 0 CDAARN c1cncc(CN2CCn3nc4c(c3C2)CCC4)c1 ZINC000238910228 363003300 /nfs/dbraw/zinc/00/33/00/363003300.db2.gz SDMVKFBEOHILTQ-UHFFFAOYSA-N 0 0 254.337 1.783 50 0 CDAARN COCC[C@H]1COCCN1C(=O)CCc1nccs1 ZINC000291213006 197956605 /nfs/dbraw/zinc/95/66/05/197956605.db2.gz OHTJUYBOCCGGPW-NSHDSACASA-N 0 0 284.381 1.340 50 0 CDAARN CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CCCS1 ZINC000259855613 351187337 /nfs/dbraw/zinc/18/73/37/351187337.db2.gz MVTRSHZLRSZPIN-VHSXEESVSA-N 0 0 289.422 1.389 50 0 CDAARN O=c1c2nccnc2[nH]c(=S)n1Cc1cccs1 ZINC000020131856 351372284 /nfs/dbraw/zinc/37/22/84/351372284.db2.gz NETDNWQWPPBNGS-UHFFFAOYSA-N 0 0 276.346 1.585 50 0 CDAARN Cn1ccc([C@@H]2CCCN(C(=O)c3ccc[n+]([O-])c3)C2)n1 ZINC000390828873 351373575 /nfs/dbraw/zinc/37/35/75/351373575.db2.gz CANLKQREPFYQFZ-GFCCVEGCSA-N 0 0 286.335 1.073 50 0 CDAARN O=C(NCc1cn[nH]c1)c1nc2cccnc2s1 ZINC000194739804 363049421 /nfs/dbraw/zinc/04/94/21/363049421.db2.gz JVSTZXYTKGSSLQ-UHFFFAOYSA-N 0 0 259.294 1.344 50 0 CDAARN Cn1cc([C@H]2CCN(C(=O)Nc3ccc(F)cn3)C2)cn1 ZINC000122613652 187041240 /nfs/dbraw/zinc/04/12/40/187041240.db2.gz UFCHPNFWGCIKRV-JTQLQIEISA-N 0 0 289.314 1.976 50 0 CDAARN Cc1cc(NC(=O)COC(=O)c2c(C)noc2C)n(C)n1 ZINC000011381075 358467339 /nfs/dbraw/zinc/46/73/39/358467339.db2.gz RLIGDGFXNWLRJX-UHFFFAOYSA-N 0 0 292.295 1.129 50 0 CDAARN C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@H](C)C1 ZINC000012861594 363251404 /nfs/dbraw/zinc/25/14/04/363251404.db2.gz OUQVUNYTQWLXGF-UWVGGRQHSA-N 0 0 264.377 1.313 50 0 CDAARN O=C(NCCCF)Nc1ccc(N2CCOCC2)cn1 ZINC000194925128 363265301 /nfs/dbraw/zinc/26/53/01/363265301.db2.gz ONKLRNPBAAWRAT-UHFFFAOYSA-N 0 0 282.319 1.399 50 0 CDAARN COc1ccc(C(=O)C2CCN([C@H](C)C(N)=O)CC2)cc1 ZINC000014325770 366161877 /nfs/dbraw/zinc/16/18/77/366161877.db2.gz MDSSYEIHFWDPKG-LLVKDONJSA-N 0 0 290.363 1.464 50 0 CDAARN N#CCCCCCNC=C1SC(=S)NC1=O ZINC000006184845 366167057 /nfs/dbraw/zinc/16/70/57/366167057.db2.gz ZUFYRSWUQIRZIA-FPLPWBNLSA-N 0 0 255.368 1.649 50 0 CDAARN C[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000037104635 363378000 /nfs/dbraw/zinc/37/80/00/363378000.db2.gz IZUBSDRGMWPBNH-AGIUHOORSA-N 0 0 294.420 1.894 50 0 CDAARN COC(=O)CCc1csc(CCN2CCCC2=O)n1 ZINC000195230229 363405023 /nfs/dbraw/zinc/40/50/23/363405023.db2.gz ZIIDNRJJSZPARM-UHFFFAOYSA-N 0 0 282.365 1.414 50 0 CDAARN CCc1ccnc(C(=O)N2CCC(O)(COC)CC2)c1 ZINC000271799977 191336014 /nfs/dbraw/zinc/33/60/14/191336014.db2.gz PEBHNUPAGBXPJU-UHFFFAOYSA-N 0 0 278.352 1.258 50 0 CDAARN C[C@@H](C(=O)NCc1ccoc1)n1nnnc1C(C)(C)C ZINC000272260548 191618203 /nfs/dbraw/zinc/61/82/03/191618203.db2.gz QHWDAKXENQHQNH-VIFPVBQESA-N 0 0 277.328 1.441 50 0 CDAARN CC(C)(C)[C@]1(C)NC(=O)N(Cc2nccs2)C1=O ZINC000193744844 358496713 /nfs/dbraw/zinc/49/67/13/358496713.db2.gz VJSMSPCOBIMUJF-GFCCVEGCSA-N 0 0 267.354 2.000 50 0 CDAARN CCOC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000000318521 355904364 /nfs/dbraw/zinc/90/43/64/355904364.db2.gz WXUDFHFVAHSFFS-UHFFFAOYSA-N 0 0 292.335 1.366 50 0 CDAARN CSCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1=O ZINC000095350387 355904643 /nfs/dbraw/zinc/90/46/43/355904643.db2.gz MVABUMBLRJOZBW-LURJTMIESA-N 0 0 270.276 1.612 50 0 CDAARN COC(=O)C1=NC(=O)N[C@@H](c2ccc(OC)cc2)C1C ZINC000000340060 355905194 /nfs/dbraw/zinc/90/51/94/355905194.db2.gz LNNXHXRNSBCWAS-LLVKDONJSA-N 0 0 276.292 1.496 50 0 CDAARN O=C(CCn1nnc2ccccc2c1=O)NCc1ccco1 ZINC000000425479 355911099 /nfs/dbraw/zinc/91/10/99/355911099.db2.gz RIVYPLPDWTYFIT-UHFFFAOYSA-N 0 0 298.302 1.091 50 0 CDAARN CCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000473953 355913299 /nfs/dbraw/zinc/91/32/99/355913299.db2.gz NKPUITIYLMUURW-UHFFFAOYSA-N 0 0 288.800 1.812 50 0 CDAARN COc1cccc(-n2cnc(=O)c3cccnc32)c1 ZINC000000481287 355913856 /nfs/dbraw/zinc/91/38/56/355913856.db2.gz CRFYDBPGXHJDEL-UHFFFAOYSA-N 0 0 253.261 1.789 50 0 CDAARN O=C(NC1CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010277278 355937212 /nfs/dbraw/zinc/93/72/12/355937212.db2.gz RWXRXKLMNCSYPL-UHFFFAOYSA-N 0 0 275.276 1.575 50 0 CDAARN OCC1(O)CCN(c2nc3ccccc3s2)CC1 ZINC000067560484 355885806 /nfs/dbraw/zinc/88/58/06/355885806.db2.gz QMPYLDGZHVIBMO-UHFFFAOYSA-N 0 0 264.350 1.620 50 0 CDAARN Cc1nn(CC(=O)N2CCCCC2)c(=O)c2ccccc12 ZINC000000127642 355889861 /nfs/dbraw/zinc/88/98/61/355889861.db2.gz HGJUCZITHKHOMV-UHFFFAOYSA-N 0 0 285.347 1.717 50 0 CDAARN CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000000209899 355896476 /nfs/dbraw/zinc/89/64/76/355896476.db2.gz OMMUGDBUZDSUMN-UHFFFAOYSA-N 0 0 255.339 1.270 50 0 CDAARN COc1coc(CSC(=S)N(C)C)cc1=O ZINC000000229979 355898460 /nfs/dbraw/zinc/89/84/60/355898460.db2.gz ZAFZLQBOIMTQRE-UHFFFAOYSA-N 0 0 259.352 1.728 50 0 CDAARN COc1cc(C=O)cc(OC(C)=O)c1OC(C)=O ZINC000002574686 355976362 /nfs/dbraw/zinc/97/63/62/355976362.db2.gz IPTDMULUNWUWBW-UHFFFAOYSA-N 0 0 252.222 1.358 50 0 CDAARN C[NH+]1CCC2(CC1)N=C(c1ccc(F)cc1)C(=S)N2 ZINC000002715863 355980336 /nfs/dbraw/zinc/98/03/36/355980336.db2.gz VAGKDDNUHCEWEH-UHFFFAOYSA-N 0 0 277.368 1.967 50 0 CDAARN C[C@]1(C(=O)NC2=NCCS2)CC1(Cl)Cl ZINC000002770658 355981934 /nfs/dbraw/zinc/98/19/34/355981934.db2.gz UZKSHOJTJYDUDY-SSDOTTSWSA-N 0 0 253.154 1.789 50 0 CDAARN CCOC(=O)CNC(=S)NCc1ccc(Cl)cc1 ZINC000002852354 355985028 /nfs/dbraw/zinc/98/50/28/355985028.db2.gz USDQKYZBBQDFJK-UHFFFAOYSA-N 0 0 286.784 1.867 50 0 CDAARN COCCCNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000002967782 355989205 /nfs/dbraw/zinc/98/92/05/355989205.db2.gz JLUZHYITAJXSFB-UHFFFAOYSA-N 0 0 270.716 1.431 50 0 CDAARN O=C(NCc1cccnc1)C(=O)NC1CCCCC1 ZINC000003061954 355993095 /nfs/dbraw/zinc/99/30/95/355993095.db2.gz WBYBTRUZGKYVQA-UHFFFAOYSA-N 0 0 261.325 1.147 50 0 CDAARN O=C(Cc1nc2ccccc2[nH]1)NCc1ccccn1 ZINC000003267967 355996883 /nfs/dbraw/zinc/99/68/83/355996883.db2.gz QEHRWWCXCHKMJM-UHFFFAOYSA-N 0 0 266.304 1.817 50 0 CDAARN CCc1cc2c(ncn(CC(=O)N(CC)CC)c2=O)s1 ZINC000001980777 355957459 /nfs/dbraw/zinc/95/74/59/355957459.db2.gz HOOOXWFHUMYMKH-UHFFFAOYSA-N 0 0 293.392 1.889 50 0 CDAARN CCOc1ccc(N(C)C(=O)[C@H]([C@H](C)O)N(C)C)cc1 ZINC000002039715 355958175 /nfs/dbraw/zinc/95/81/75/355958175.db2.gz MCLMACLXARTOSR-FZMZJTMJSA-N 0 0 280.368 1.359 50 0 CDAARN CCOCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000002191130 355963697 /nfs/dbraw/zinc/96/36/97/355963697.db2.gz YJKGLXJLKONYNQ-UHFFFAOYSA-N 0 0 251.282 1.838 50 0 CDAARN CCCCNC(=O)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000002501401 355971754 /nfs/dbraw/zinc/97/17/54/355971754.db2.gz XUGMVGFFHYXMTC-AWEZNQCLSA-N 0 0 290.363 1.333 50 0 CDAARN O=C(COc1ccc2c(c1)OCO2)NCc1ccccn1 ZINC000004414126 356031007 /nfs/dbraw/zinc/03/10/07/356031007.db2.gz ZXRCXDWXVLBILX-UHFFFAOYSA-N 0 0 286.287 1.506 50 0 CDAARN COC[C@@H](C)NC(=O)c1ccc(NC(C)=O)cc1 ZINC000004524655 356035068 /nfs/dbraw/zinc/03/50/68/356035068.db2.gz HCVHFWOCAFAGEP-SECBINFHSA-N 0 0 250.298 1.410 50 0 CDAARN CCC[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000004677278 356039385 /nfs/dbraw/zinc/03/93/85/356039385.db2.gz GCZCXZOTWZWXDK-NSHDSACASA-N 0 0 298.408 1.429 50 0 biogenic CDAARN COCc1cc(O)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000004385478 356029161 /nfs/dbraw/zinc/02/91/61/356029161.db2.gz SAHOTZFEIPEMDD-UHFFFAOYSA-N 0 0 271.276 1.154 50 0 CDAARN COc1ccc(NC(=O)CSc2cn[nH]n2)c(OC)c1 ZINC000004386611 356029573 /nfs/dbraw/zinc/02/95/73/356029573.db2.gz XNYOFXMWBXEFSQ-UHFFFAOYSA-N 0 0 294.336 1.553 50 0 CDAARN CN1CCN(NC(=O)/C=C/c2c(F)cccc2Cl)CC1 ZINC000002773264 356107030 /nfs/dbraw/zinc/10/70/30/356107030.db2.gz VRNQGDGGTMDZKI-AATRIKPKSA-N 0 0 297.761 1.771 50 0 CDAARN Cc1nn(C)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000006700297 356082081 /nfs/dbraw/zinc/08/20/81/356082081.db2.gz NZVBCPQDVHOCPZ-SECBINFHSA-N 0 0 257.359 1.292 50 0 CDAARN CCc1nnc(SCCCn2ccnc2)n1C ZINC000097375651 356098204 /nfs/dbraw/zinc/09/82/04/356098204.db2.gz XYIIPYGMIUMWSZ-UHFFFAOYSA-N 0 0 251.359 1.756 50 0 CDAARN CC(C)CC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000002734798 356103626 /nfs/dbraw/zinc/10/36/26/356103626.db2.gz JBBKKBMLVKRTRC-CYBMUJFWSA-N 0 0 266.385 1.894 50 0 CDAARN CCc1ncc(C(=O)NCCN(C)c2ccccc2)cn1 ZINC000097514291 356185145 /nfs/dbraw/zinc/18/51/45/356185145.db2.gz LAQFIUHMNSZSKU-UHFFFAOYSA-N 0 0 284.363 1.905 50 0 CDAARN COCCN(CC(C)C)c1cc(-n2ccnc2)ncn1 ZINC000195544185 363460069 /nfs/dbraw/zinc/46/00/69/363460069.db2.gz BHLYNOKVUQLRNE-UHFFFAOYSA-N 0 0 275.356 1.771 50 0 CDAARN CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010323941 356256874 /nfs/dbraw/zinc/25/68/74/356256874.db2.gz RUHWOQSQMSZYTD-SECBINFHSA-N 0 0 282.365 1.147 50 0 CDAARN CC(C)CC(=O)Nc1nnc(SCC(N)=O)s1 ZINC000004328328 356261523 /nfs/dbraw/zinc/26/15/23/356261523.db2.gz YEVHHSDAHOEACZ-UHFFFAOYSA-N 0 0 274.371 1.100 50 0 CDAARN COc1ccc(S(=O)(=O)N2CCCC2)cc1N 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Cc1ccc(CN(C)C(=O)CNC(=O)N(C)C)s1 ZINC000223183676 359406335 /nfs/dbraw/zinc/40/63/35/359406335.db2.gz FXIJTGHPFXMKIY-UHFFFAOYSA-N 0 0 269.370 1.286 50 0 CDAARN Cc1n[nH]cc1S(=O)(=O)N1CCOc2ccccc21 ZINC000037731195 359455065 /nfs/dbraw/zinc/45/50/65/359455065.db2.gz BHZUJRJOVOOREA-UHFFFAOYSA-N 0 0 279.321 1.306 50 0 CDAARN Cn1nccc1C(=O)n1cc(Br)cn1 ZINC000000303540 359458149 /nfs/dbraw/zinc/45/81/49/359458149.db2.gz VZDDQRKJQQFUAY-UHFFFAOYSA-N 0 0 255.075 1.068 50 0 CDAARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(-c2cc[nH]n2)cc1 ZINC000223897664 359468570 /nfs/dbraw/zinc/46/85/70/359468570.db2.gz OLTPVAZRZHKRRE-SNPRPXQTSA-N 0 0 283.331 1.984 50 0 CDAARN C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccnc(C3CC3)n2)CC1=O ZINC000572453122 359493638 /nfs/dbraw/zinc/49/36/38/359493638.db2.gz IJYGJBWQONQPFP-JLLWLGSASA-N 0 0 272.352 1.197 50 0 CDAARN O=C(COC(=O)COc1ccccc1)NCc1ccccc1 ZINC000002658628 359497042 /nfs/dbraw/zinc/49/70/42/359497042.db2.gz OXJZENRUUHYKCH-UHFFFAOYSA-N 0 0 299.326 1.925 50 0 CDAARN COc1cc(Br)c(C[C@H](O)CO)cc1OC ZINC000000402357 359520054 /nfs/dbraw/zinc/52/00/54/359520054.db2.gz DKKMRWYOVILIGM-QMMMGPOBSA-N 0 0 291.141 1.362 50 0 CDAARN COc1ncccc1CNS(=O)(=O)c1ccc(F)cc1 ZINC000028041478 359521251 /nfs/dbraw/zinc/52/12/51/359521251.db2.gz NXLUJPNKUPNBRL-UHFFFAOYSA-N 0 0 296.323 1.708 50 0 CDAARN CCOCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000011692311 359487399 /nfs/dbraw/zinc/48/73/99/359487399.db2.gz ANHAVEDRZMNSKO-ZDUSSCGKSA-N 0 0 294.351 1.106 50 0 CDAARN COCCO[C@H]1CCC12CCN(C(=O)c1cn[nH]c1)CC2 ZINC000257188687 359529393 /nfs/dbraw/zinc/52/93/93/359529393.db2.gz GFJBZKAOAJJNSS-ZDUSSCGKSA-N 0 0 293.367 1.458 50 0 CDAARN COC(=O)N1CCC[C@@H](C(=O)N2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000089401058 291185069 /nfs/dbraw/zinc/18/50/69/291185069.db2.gz WBBPRBJMOAINGZ-FRRDWIJNSA-N 0 0 280.368 1.723 50 0 CDAARN Cc1cc(C)n(C(=O)c2c(Br)c(C)nn2C)n1 ZINC000000375936 359634804 /nfs/dbraw/zinc/63/48/04/359634804.db2.gz VKKGDQVRRRIXTO-UHFFFAOYSA-N 0 0 297.156 1.993 50 0 CDAARN CN(C)c1nc(N)nc(CSc2ccccc2F)n1 ZINC000012400188 359762522 /nfs/dbraw/zinc/76/25/22/359762522.db2.gz NCOLDSDERUGPSW-UHFFFAOYSA-N 0 0 279.344 1.951 50 0 CDAARN CCCC(=O)NCC1(CNC(=O)CCC)CCOCC1 ZINC000408516588 359899223 /nfs/dbraw/zinc/89/92/23/359899223.db2.gz HUSOABYOQVXKNO-UHFFFAOYSA-N 0 0 284.400 1.616 50 0 CDAARN CCCC[C@H](C)C(=O)NCc1cnc(COC)nc1N ZINC000408517714 359901561 /nfs/dbraw/zinc/90/15/61/359901561.db2.gz NFCZOIXPBFVFDF-JTQLQIEISA-N 0 0 280.372 1.478 50 0 CDAARN Cc1c(C)c(=O)oc2cc(OCC(=O)N(C)C)ccc12 ZINC000000374028 359904140 /nfs/dbraw/zinc/90/41/40/359904140.db2.gz KADHWZBHHXWDKY-UHFFFAOYSA-N 0 0 275.304 1.877 50 0 biogenic CDAARN CCn1cnc2c1ncnc2N[C@H](C)c1cc[nH]n1 ZINC000408518573 359908861 /nfs/dbraw/zinc/90/88/61/359908861.db2.gz OJAWLGOTNQOWHK-MRVPVSSYSA-N 0 0 257.301 1.742 50 0 CDAARN O=C1CN(c2ncccc2Cl)CN1CC(F)(F)F ZINC000408514448 359893911 /nfs/dbraw/zinc/89/39/11/359893911.db2.gz GGLFIEULUYYZHA-UHFFFAOYSA-N 0 0 279.649 1.903 50 0 CDAARN CCn1cnc2c1ncnc2NCCc1ccnc(OC)c1 ZINC000408524048 359932352 /nfs/dbraw/zinc/93/23/52/359932352.db2.gz PQOGKYXENIQWCQ-UHFFFAOYSA-N 0 0 298.350 1.904 50 0 CDAARN Cc1ccc(CCC(=O)N2CCNC(=O)C2)c(C)c1 ZINC000028622908 360024492 /nfs/dbraw/zinc/02/44/92/360024492.db2.gz XEIUIMGAGNTAJS-UHFFFAOYSA-N 0 0 260.337 1.194 50 0 CDAARN C[C@H]1CN(C)CCN1C(=O)c1cc2ccccc2n1C ZINC000089938445 360197602 /nfs/dbraw/zinc/19/76/02/360197602.db2.gz BNBZXUQKKJTRDG-LBPRGKRZSA-N 0 0 271.364 1.954 50 0 CDAARN Cn1ccc(CC(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)n1 ZINC000121730401 360178102 /nfs/dbraw/zinc/17/81/02/360178102.db2.gz OXRYYLITOFUJDO-UHFFFAOYSA-N 0 0 287.348 1.766 50 0 CDAARN Cc1noc(Cl)c1CC(=O)N1CCN(C)C[C@H]1C ZINC000089532571 360180838 /nfs/dbraw/zinc/18/08/38/360180838.db2.gz HPRJJOVMGZMSMR-MRVPVSSYSA-N 0 0 271.748 1.341 50 0 CDAARN CCCC(=O)NCC(=O)Nc1ccc2[nH]c(=S)[nH]c2c1 ZINC000121819645 360186177 /nfs/dbraw/zinc/18/61/77/360186177.db2.gz PCWZESRTTGELTJ-UHFFFAOYSA-N 0 0 292.364 1.706 50 0 CDAARN COc1ccccc1C(=O)NC[C@H]1CCCCC(=O)N1 ZINC000409420558 360224212 /nfs/dbraw/zinc/22/42/12/360224212.db2.gz OOLIYSIXUCMWFY-LLVKDONJSA-N 0 0 276.336 1.484 50 0 CDAARN Cc1ncoc1C(=O)N1CCC(F)(C(=O)NC2CC2)CC1 ZINC000409420646 360224757 /nfs/dbraw/zinc/22/47/57/360224757.db2.gz JTPFJEBHYFJHLY-UHFFFAOYSA-N 0 0 295.314 1.206 50 0 CDAARN O=C(C[C@H]1CCN(C(=O)c2ccoc2)C1)NC1CC1 ZINC000409421563 360231894 /nfs/dbraw/zinc/23/18/94/360231894.db2.gz GQXMPWUHSSAIIS-SNVBAGLBSA-N 0 0 262.309 1.410 50 0 CDAARN O=C([O-])C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000238155955 360241229 /nfs/dbraw/zinc/24/12/29/360241229.db2.gz BQQRPLAKOCHSFF-LLVKDONJSA-N 0 0 263.293 1.679 50 0 CDAARN Cc1nn(C)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000011923696 360449030 /nfs/dbraw/zinc/44/90/30/360449030.db2.gz SDIYPUNQIKHXGB-UHFFFAOYSA-N 0 0 299.783 1.860 50 0 CDAARN CCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2nccn2C1 ZINC000248160859 360413872 /nfs/dbraw/zinc/41/38/72/360413872.db2.gz LGKZVCBBCHTRHM-KBPBESRZSA-N 0 0 290.411 1.579 50 0 CDAARN COCC(=O)N[C@H](C(=O)NCc1cc(C)oc1C)C(C)C ZINC000089580491 360495809 /nfs/dbraw/zinc/49/58/09/360495809.db2.gz JORONSVBQWFYGL-AWEZNQCLSA-N 0 0 296.367 1.300 50 0 CDAARN Cc1cc(C)c(C(=O)NC[C@@H](O)C2CCCC2)c(=O)[nH]1 ZINC000089568525 360463437 /nfs/dbraw/zinc/46/34/37/360463437.db2.gz WOHRZVDCJUUJMV-GFCCVEGCSA-N 0 0 278.352 1.273 50 0 CDAARN Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H](C)n1ccnc1C ZINC000426434464 360529717 /nfs/dbraw/zinc/52/97/17/360529717.db2.gz MQLNWJXNMULRGK-GFCCVEGCSA-N 0 0 289.383 1.794 50 0 CDAARN CCOC(=O)[C@H]1CCCN(Cc2nc(C3CC3)no2)C1 ZINC000013595347 360505740 /nfs/dbraw/zinc/50/57/40/360505740.db2.gz INAAESHIVFUEHZ-NSHDSACASA-N 0 0 279.340 1.722 50 0 CDAARN S=C(NCC[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000004546192 360555150 /nfs/dbraw/zinc/55/51/50/360555150.db2.gz OPLCTSDYEOSEIJ-GFCCVEGCSA-N 0 0 271.430 1.115 50 0 CDAARN CC(C)Cc1nnc(NC(=O)[C@@H]2CCCO2)s1 ZINC000004681350 360558602 /nfs/dbraw/zinc/55/86/02/360558602.db2.gz LCVCWUOETXLORX-QMMMGPOBSA-N 0 0 255.343 1.854 50 0 CDAARN CCN(Cc1nc(COC)no1)C(=O)[C@H](C)n1cccn1 ZINC000426475421 360569418 /nfs/dbraw/zinc/56/94/18/360569418.db2.gz LIWBIHIPSAVDKP-JTQLQIEISA-N 0 0 293.327 1.022 50 0 CDAARN COCCn1nnc2c(sc3nc(C)cc(C)c32)c1=O ZINC000015670714 360655753 /nfs/dbraw/zinc/65/57/53/360655753.db2.gz BVIDKHQCOHOTGG-UHFFFAOYSA-N 0 0 290.348 1.664 50 0 CDAARN Cc1cc(CN(C)C(=O)c2cc(=O)cc(C)[nH]2)ccn1 ZINC000426512064 360679042 /nfs/dbraw/zinc/67/90/42/360679042.db2.gz HZGIYJLEFNHKCY-UHFFFAOYSA-N 0 0 271.320 1.659 50 0 CDAARN COC[C@H](NC(=O)C1Cc2ccccc2C1)c1ccnn1C ZINC000426574963 360684022 /nfs/dbraw/zinc/68/40/22/360684022.db2.gz DVOSWOVKVPJCJB-HNNXBMFYSA-N 0 0 299.374 1.639 50 0 CDAARN CC[C@@H](CNC(=O)c1cnc(-c2ccccn2)nc1)OC ZINC000426604577 360687794 /nfs/dbraw/zinc/68/77/94/360687794.db2.gz RFBKYTZXMGDMHK-LBPRGKRZSA-N 0 0 286.335 1.693 50 0 CDAARN CC1(C)C[C@@H]1C(=O)N1CCC(c2ccnc(N)n2)CC1 ZINC000426623024 360691242 /nfs/dbraw/zinc/69/12/42/360691242.db2.gz QAAWDXYYVMMQKG-LLVKDONJSA-N 0 0 274.368 1.641 50 0 CDAARN CC(C)c1nc(CNC(=O)[C@H](C)n2cc(Cl)cn2)no1 ZINC000426651980 360693362 /nfs/dbraw/zinc/69/33/62/360693362.db2.gz HTSRZGMSZWJIFH-QMMMGPOBSA-N 0 0 297.746 1.920 50 0 CDAARN COc1ccnc(C(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 ZINC000426361289 360659895 /nfs/dbraw/zinc/65/98/95/360659895.db2.gz NFHASVSUUVWSMQ-VIFPVBQESA-N 0 0 288.351 1.932 50 0 CDAARN Cc1cc(C)n(CCNc2cc([C@H]3CCOC3)ncn2)n1 ZINC000426403425 360664849 /nfs/dbraw/zinc/66/48/49/360664849.db2.gz AYUDKQVRNOFELA-ZDUSSCGKSA-N 0 0 287.367 1.328 50 0 CDAARN Cc1cccnc1C[C@H](C)NC(=O)CCc1ccnn1C ZINC000426490736 360675327 /nfs/dbraw/zinc/67/53/27/360675327.db2.gz QZVIEHQNYAVIGN-ZDUSSCGKSA-N 0 0 286.379 1.804 50 0 CDAARN COCc1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)c1 ZINC000178573834 189128417 /nfs/dbraw/zinc/12/84/17/189128417.db2.gz PFXLJWRKHLBEEQ-KBPBESRZSA-N 0 0 299.392 1.415 50 0 CDAARN CCCc1nc(CN(CC)C(=O)[C@H](C)OCC)no1 ZINC000426707357 360697783 /nfs/dbraw/zinc/69/77/83/360697783.db2.gz FQHRFYFYAZBDKU-JTQLQIEISA-N 0 0 269.345 1.796 50 0 CDAARN CCc1ccc(C(=O)N2CCC(c3ncon3)CC2)[nH]1 ZINC000426726929 360699453 /nfs/dbraw/zinc/69/94/53/360699453.db2.gz RUKZICFLGVWZJS-UHFFFAOYSA-N 0 0 274.324 1.980 50 0 CDAARN C[S@](=O)c1nncn1Cc1cc(Cl)ccc1F ZINC000189020902 360700854 /nfs/dbraw/zinc/70/08/54/360700854.db2.gz ACTQIKUPCUMRQV-KRWDZBQOSA-N 0 0 273.720 1.856 50 0 CDAARN Cc1ccccc1C1=NO[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000036015004 360713452 /nfs/dbraw/zinc/71/34/52/360713452.db2.gz UIQCNRLTKKIPFO-HNNXBMFYSA-N 0 0 287.363 1.262 50 0 CDAARN O[C@]1(CNc2ncnc3cc(F)c(F)cc32)CCOC1 ZINC000178961863 189157813 /nfs/dbraw/zinc/15/78/13/189157813.db2.gz RMLKKPDEGGJTSE-ZDUSSCGKSA-N 0 0 281.262 1.471 50 0 CDAARN C[NH2+][C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC000234470008 360944277 /nfs/dbraw/zinc/94/42/77/360944277.db2.gz FSKRWWSQMTVCPX-VIFPVBQESA-N 0 0 274.114 1.803 50 0 CDAARN CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000097528904 360982348 /nfs/dbraw/zinc/98/23/48/360982348.db2.gz LKTKEMVSEBNLAZ-GFCCVEGCSA-N 0 0 262.309 1.161 50 0 CDAARN C[C@H](c1ccc(-c2n[nH]c(=O)[n-]2)cc1)N1CCOCC1 ZINC000426522847 360984844 /nfs/dbraw/zinc/98/48/44/360984844.db2.gz GHMZEVMOAAUWDS-SNVBAGLBSA-N 0 0 274.324 1.571 50 0 CDAARN c1cnn(C[C@H]2CN(C[C@H]3CCCCO3)CCO2)c1 ZINC000247254490 361037396 /nfs/dbraw/zinc/03/73/96/361037396.db2.gz UHHYQCDRDCXTBL-ZIAGYGMSSA-N 0 0 265.357 1.153 50 0 CDAARN CSCCN1CCN(C(=O)c2nc(C)sc2C)CC1 ZINC000299788273 200874529 /nfs/dbraw/zinc/87/45/29/200874529.db2.gz XZOVPUKKTKGJOP-UHFFFAOYSA-N 0 0 299.465 1.881 50 0 CDAARN O=C(c1ccc(Cl)s1)N1CCN(c2nc[nH]n2)CC1 ZINC000299792134 200876504 /nfs/dbraw/zinc/87/65/04/200876504.db2.gz DXHBSMMIRCZLFG-UHFFFAOYSA-N 0 0 297.771 1.482 50 0 CDAARN CCn1nc(C)c(CNC(=O)[C@H](C)Cn2cncn2)c1C ZINC000299796762 200878017 /nfs/dbraw/zinc/87/80/17/200878017.db2.gz OIAMKVRQAWXIKD-SNVBAGLBSA-N 0 0 290.371 1.064 50 0 CDAARN Cc1cccc([C@H](NC(=O)CCn2cncn2)C2CC2)n1 ZINC000299800252 200879377 /nfs/dbraw/zinc/87/93/77/200879377.db2.gz WGXWNKZVUUEXHE-OAHLLOKOSA-N 0 0 285.351 1.639 50 0 CDAARN CCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000011905522 361189295 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Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000032843917 293700746 /nfs/dbraw/zinc/70/07/46/293700746.db2.gz DZGDSYCOZIPWTG-UWVGGRQHSA-N 0 0 277.368 1.724 50 0 CDAARN Cc1nnsc1C(=O)N1CC(=O)Nc2ccccc21 ZINC000036709564 293910353 /nfs/dbraw/zinc/91/03/53/293910353.db2.gz IPNMTFAUHXMOGV-UHFFFAOYSA-N 0 0 274.305 1.445 50 0 CDAARN CN1C(=S)N=NC1c1sc2ncccc2c1N ZINC000019894310 294169435 /nfs/dbraw/zinc/16/94/35/294169435.db2.gz PELKWLYOMVXBFG-UHFFFAOYSA-N 0 0 263.351 1.963 50 0 CDAARN CO[C@H]1CCCC[C@H]1NC(=O)c1ncccc1O ZINC000097165498 294514706 /nfs/dbraw/zinc/51/47/06/294514706.db2.gz SUVDZOXGLRBWDF-KOLCDFICSA-N 0 0 250.298 1.475 50 0 CDAARN CCOC(=O)C1(C(=O)NCCc2ccccn2)CCCC1 ZINC000573686479 294867558 /nfs/dbraw/zinc/86/75/58/294867558.db2.gz XLLODZLRSOLXLB-UHFFFAOYSA-N 0 0 290.363 1.864 50 0 CDAARN COc1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)cc1F ZINC000095377713 295082280 /nfs/dbraw/zinc/08/22/80/295082280.db2.gz PWEQFYGHABZTRU-LLVKDONJSA-N 0 0 280.299 1.314 50 0 CDAARN Nc1cn2cc(I)ccc2n1 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/nfs/dbraw/zinc/34/57/79/328345779.db2.gz FMNQRMAVOQSSPR-UHFFFAOYSA-N 0 0 265.357 1.699 50 0 CDAARN O=C([O-])[C@H]([NH2+]C1CCOCC1)c1ccc(O)cc1 ZINC000534667433 328345956 /nfs/dbraw/zinc/34/59/56/328345956.db2.gz OPLMZDIULKZYHC-GFCCVEGCSA-N 0 0 251.282 1.287 50 0 CDAARN COCc1noc(CN[C@@H](C)[C@@H]2COc3ccccc32)n1 ZINC000097374654 323207788 /nfs/dbraw/zinc/20/77/88/323207788.db2.gz WRHQJZHXVPWYRL-JQWIXIFHSA-N 0 0 289.335 1.870 50 0 CDAARN COCc1noc([C@@H](C)S(=O)(=O)c2ccc(O)cc2)n1 ZINC000181424648 323235760 /nfs/dbraw/zinc/23/57/60/323235760.db2.gz QPGAUFJBXXQJHY-MRVPVSSYSA-N 0 0 298.320 1.457 50 0 CDAARN C[C@@]1(O)CCCN(C(=O)N[C@H]2CCCOCC2)C1 ZINC000181814683 323250035 /nfs/dbraw/zinc/25/00/35/323250035.db2.gz LPCDXODQQMNVCF-WCQYABFASA-N 0 0 256.346 1.112 50 0 CDAARN CNC(=O)[C@@H](NCc1nc(-c2ccco2)no1)C(C)C ZINC000183654368 323344942 /nfs/dbraw/zinc/34/49/42/323344942.db2.gz GUFCYDJJYADMFY-NSHDSACASA-N 0 0 278.312 1.190 50 0 CDAARN O=C(C[C@H]1CCOC1)NCc1nc2ccccc2o1 ZINC000583496237 325186957 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199153454 /nfs/dbraw/zinc/15/34/54/199153454.db2.gz SXRFOIFRAOPQRN-MNOVXSKESA-N 0 0 280.343 1.645 50 0 CDAARN O=C([O-])c1cc2n(n1)CCN(Cc1ccccc1)C2 ZINC000067642396 358227930 /nfs/dbraw/zinc/22/79/30/358227930.db2.gz QZNJPIFPOLPHOM-UHFFFAOYSA-N 0 0 257.293 1.597 50 0 CDAARN Cc1cc(C(=O)NCc2nc(-c3cc(C)on3)no2)no1 ZINC000225812725 358542840 /nfs/dbraw/zinc/54/28/40/358542840.db2.gz GRKYLPADUXJNGS-UHFFFAOYSA-N 0 0 289.251 1.259 50 0 CDAARN CC[C@@](C)(CO)NC(=O)Cc1cc(F)c(F)cc1F ZINC000195557797 358564452 /nfs/dbraw/zinc/56/44/52/358564452.db2.gz JMSKLOYSUNBBGM-ZDUSSCGKSA-N 0 0 275.270 1.924 50 0 CDAARN C[C@H](O)C[C@H]1COCCN1C(=O)NC[C@@H]1CC=CCC1 ZINC000195566092 358565776 /nfs/dbraw/zinc/56/57/76/358565776.db2.gz PAQWEBCTFOWJHW-MJBXVCDLSA-N 0 0 282.384 1.524 50 0 CDAARN C[C@H]1CC[C@H](C(N)=O)CN1c1nnc(C(C)(C)C)s1 ZINC000195574958 358567135 /nfs/dbraw/zinc/56/71/35/358567135.db2.gz UCODJELIGZIYMI-IUCAKERBSA-N 0 0 282.413 1.926 50 0 CDAARN CCc1ccccc1OCCn1ncc(N(C)C)cc1=O ZINC000095357493 358683370 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277123519 /nfs/dbraw/zinc/12/35/19/277123519.db2.gz FPRPOVMLSRUUSO-KBPBESRZSA-N 0 0 273.288 1.357 50 0 CDAARN COC(=O)c1c(NC(C)=O)sc2c1[C@@H](C(=O)OC)CC2 ZINC000004194029 277148534 /nfs/dbraw/zinc/14/85/34/277148534.db2.gz YJQVAXYSBAAHLH-ZETCQYMHSA-N 0 0 297.332 1.696 50 0 CDAARN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)c2ccccc2O1 ZINC000089941236 277853711 /nfs/dbraw/zinc/85/37/11/277853711.db2.gz WPIMTRHNRYCHJE-LLVKDONJSA-N 0 0 284.315 1.813 50 0 CDAARN CC(C)c1ccc(/C=c2/sc3ncnn3c2=O)cc1 ZINC000000208224 278021348 /nfs/dbraw/zinc/02/13/48/278021348.db2.gz LISVXXUGAZFAPH-KPKJPENVSA-N 0 0 271.345 1.822 50 0 CDAARN CC(=O)OC1=N[C@@H](O)C(Cl)(Cl)C[C@@]1(C)Cl ZINC000004770167 278217964 /nfs/dbraw/zinc/21/79/64/278217964.db2.gz KVKJDAUKAHGEDC-CAHLUQPWSA-N 0 0 274.531 1.842 50 0 CDAARN CC(=O)OC1=CN(C)S(=O)(=O)c2ccsc21 ZINC000015106404 278218091 /nfs/dbraw/zinc/21/80/91/278218091.db2.gz FQZBGCJSPHLEQQ-UHFFFAOYSA-N 0 0 259.308 1.244 50 0 CDAARN CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 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169751174 /nfs/dbraw/zinc/75/11/74/169751174.db2.gz YQFQNMYKUULTNH-UHFFFAOYSA-N 0 0 287.406 1.248 50 0 CDAARN CCCCOc1ccc(C(=O)Nn2cnnc2)cc1 ZINC000001822646 169758566 /nfs/dbraw/zinc/75/85/66/169758566.db2.gz WOHZASLXXMFOEW-UHFFFAOYSA-N 0 0 260.297 1.841 50 0 CDAARN CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000001851317 169759776 /nfs/dbraw/zinc/75/97/76/169759776.db2.gz FBFDGDOUJCKGFI-UHFFFAOYSA-N 0 0 293.371 1.435 50 0 CDAARN Nc1ccccc1C(=O)NCCNC(=O)c1ccccc1N ZINC000002228897 169782177 /nfs/dbraw/zinc/78/21/77/169782177.db2.gz WCJXITVFAPNSLM-UHFFFAOYSA-N 0 0 298.346 1.011 50 0 CDAARN Cc1cc(S(N)(=O)=O)ccc1Br ZINC000002243430 169783403 /nfs/dbraw/zinc/78/34/03/169783403.db2.gz KRUSKWRPOCHSGC-UHFFFAOYSA-N 0 0 250.117 1.405 50 0 CDAARN CCCCSc1nnc2n1c1ccccc1c(=O)n2N ZINC000002841280 169836708 /nfs/dbraw/zinc/83/67/08/169836708.db2.gz PHFHSJYRYIZVLC-UHFFFAOYSA-N 0 0 289.364 1.650 50 0 CDAARN CCOc1ccc(C(=O)CC[NH2+][C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000002922161 169844269 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[NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002539738 169805942 /nfs/dbraw/zinc/80/59/42/169805942.db2.gz OJTJKAUNOLVMDX-GFCCVEGCSA-N 0 0 280.324 1.495 50 0 CDAARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1nn(C)c(C)c1Cl ZINC000002782239 169830224 /nfs/dbraw/zinc/83/02/24/169830224.db2.gz QWDDRTHHNFPWBM-SSDOTTSWSA-N 0 0 295.774 1.915 50 0 CDAARN Cc1cnn(CC2N=NC(=S)N2c2cn(C)nc2C)c1 ZINC000002790861 169831421 /nfs/dbraw/zinc/83/14/21/169831421.db2.gz CATNPUGMQBUUFA-UHFFFAOYSA-N 0 0 289.368 1.151 50 0 CDAARN COc1ccc(OC)c(C(=O)[C@@H]2CC(=O)CO2)c1 ZINC000003161146 169862954 /nfs/dbraw/zinc/86/29/54/169862954.db2.gz STSYFBHKLZVSDU-LBPRGKRZSA-N 0 0 250.250 1.245 50 0 CDAARN Cc1ccnc2nc(C(=O)NCc3ccccc3)nn21 ZINC000003382609 169883995 /nfs/dbraw/zinc/88/39/95/169883995.db2.gz RMJGHPWBFYSYGM-UHFFFAOYSA-N 0 0 267.292 1.363 50 0 CDAARN Cc1nn(S(=O)(=O)N2CCCCCC2)c(C)c1C ZINC000004866955 170033188 /nfs/dbraw/zinc/03/31/88/170033188.db2.gz JDQXUMURBFIATP-UHFFFAOYSA-N 0 0 271.386 1.777 50 0 CDAARN 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0 CDAARN CC(C)[C@@H](N1CCOC1=O)S(=O)(=O)c1ccccc1 ZINC000001407046 377893379 /nfs/dbraw/zinc/89/33/79/377893379.db2.gz GUTVYYUPNYBROU-LBPRGKRZSA-N 0 0 283.349 1.895 50 0 CDAARN CNC(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 ZINC000120927988 378466702 /nfs/dbraw/zinc/46/67/02/378466702.db2.gz GXOGFGNFZDVOPZ-UHFFFAOYSA-N 0 0 299.396 1.762 50 0 CDAARN O=C(Cc1ccccc1)NCn1nnc(-c2cccnc2)n1 ZINC000001425316 378504584 /nfs/dbraw/zinc/50/45/84/378504584.db2.gz DNVWRNDMDWESSJ-UHFFFAOYSA-N 0 0 294.318 1.052 50 0 CDAARN CN(C)[C@@H](CNC(=O)Nc1cnns1)c1ccco1 ZINC000190791493 378551770 /nfs/dbraw/zinc/55/17/70/378551770.db2.gz IQJZPNXDBYPWJZ-QMMMGPOBSA-N 0 0 281.341 1.556 50 0 CDAARN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)no1 ZINC000095970928 291723381 /nfs/dbraw/zinc/72/33/81/291723381.db2.gz FINIIOOKCYAJSR-GHMZBOCLSA-N 0 0 268.338 1.330 50 0 CDAARN COC[C@](C)(O)CNC(=O)Nc1ccc(C)c(C)c1 ZINC000070018222 379331217 /nfs/dbraw/zinc/33/12/17/379331217.db2.gz GATHQSCTVXFGFC-CQSZACIVSA-N 0 0 266.341 1.822 50 0 CDAARN Cc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000041245163 379350356 /nfs/dbraw/zinc/35/03/56/379350356.db2.gz DEPRRMNTQLZKRY-UHFFFAOYSA-N 0 0 272.348 1.689 50 0 CDAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H]1CCCO1 ZINC000000133367 169548771 /nfs/dbraw/zinc/54/87/71/169548771.db2.gz MTMXIDCSVLVFRX-FUEXJSSKSA-N 0 0 275.304 1.724 50 0 biogenic CDAARN CCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000000204150 169573700 /nfs/dbraw/zinc/57/37/00/169573700.db2.gz MNZCWACXYSFGSI-UHFFFAOYSA-N 0 0 254.289 1.936 50 0 CDAARN CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000000220659 169579081 /nfs/dbraw/zinc/57/90/81/169579081.db2.gz XHOULTDWDCXAOM-LLVKDONJSA-N 0 0 288.413 1.107 50 0 CDAARN Cc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc1 ZINC000000322616 169608178 /nfs/dbraw/zinc/60/81/78/169608178.db2.gz KANUUAQBJYUAPU-LBPRGKRZSA-N 0 0 260.337 1.873 50 0 CDAARN CCOC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000000349653 169614083 /nfs/dbraw/zinc/61/40/83/169614083.db2.gz LSXBNLARBXRUOW-UHFFFAOYSA-N 0 0 298.147 1.818 50 0 CDAARN 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Cc1nc2ccccc2n1CC(=O)N[C@H](C)Cn1cncn1 ZINC000299273650 361601768 /nfs/dbraw/zinc/60/17/68/361601768.db2.gz WAJSZJHKYQSMMO-LLVKDONJSA-N 0 0 298.350 1.141 50 0 CDAARN CC(C)(C)OC(=O)N1CCCN(C(=O)n2cccn2)CC1 ZINC000299834914 364042102 /nfs/dbraw/zinc/04/21/02/364042102.db2.gz SREDUUSCWDQNQK-UHFFFAOYSA-N 0 0 294.355 1.794 50 0 CDAARN COc1ccccc1-c1ccc(=O)n(CC(C)=O)n1 ZINC000049545804 364068128 /nfs/dbraw/zinc/06/81/28/364068128.db2.gz LEOWBWKQGJYXKB-UHFFFAOYSA-N 0 0 258.277 1.508 50 0 CDAARN CC[C@@H](CO)NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000000164137 364091680 /nfs/dbraw/zinc/09/16/80/364091680.db2.gz CQJJDSYWWIEDOK-JTQLQIEISA-N 0 0 283.324 1.213 50 0 CDAARN CSc1nnc(CSc2ncccn2)n1C ZINC000002706022 169821509 /nfs/dbraw/zinc/82/15/09/169821509.db2.gz MOOVQLNXRYBDFB-UHFFFAOYSA-N 0 0 253.356 1.619 50 0 CDAARN CCC(=O)N1CCN(c2cccc(F)c2)C(=O)[C@@H]1C ZINC000037263260 364238085 /nfs/dbraw/zinc/23/80/85/364238085.db2.gz XXCWHGUXAXVOPI-JTQLQIEISA-N 0 0 264.300 1.799 50 0 CDAARN O[C@H]1C[C@@H](c2cc(F)ccc2F)N(CCn2cncn2)C1 ZINC000269793674 364342243 /nfs/dbraw/zinc/34/22/43/364342243.db2.gz GXSUARABGUMZCX-FZMZJTMJSA-N 0 0 294.305 1.364 50 0 CDAARN COCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000001795941 364437028 /nfs/dbraw/zinc/43/70/28/364437028.db2.gz AIYFYMGXGFLXBV-UHFFFAOYSA-N 0 0 267.709 1.404 50 0 CDAARN COC(=O)[C@H](C)NC(=O)c1sc(-n2cccc2)nc1C ZINC000170625500 364448381 /nfs/dbraw/zinc/44/83/81/364448381.db2.gz KTEMLTFYEQYBSD-VIFPVBQESA-N 0 0 293.348 1.534 50 0 CDAARN CCO[C@H]1C[C@@](O)(CNC(=O)c2ccoc2)C1(C)C ZINC000191755167 189604007 /nfs/dbraw/zinc/60/40/07/189604007.db2.gz QWHRUDDWVAXUOO-SMDDNHRTSA-N 0 0 267.325 1.576 50 0 CDAARN C[C@H]1CN(C(=O)NCc2cccnn2)C[C@H](C2CC2)O1 ZINC000280441693 364891683 /nfs/dbraw/zinc/89/16/83/364891683.db2.gz QUOPNPPBRFPXIA-GXFFZTMASA-N 0 0 276.340 1.186 50 0 CDAARN C[C@H](N1CCN(C(=O)c2cccn2C)CC1)C(F)(F)F ZINC000098018677 364972844 /nfs/dbraw/zinc/97/28/44/364972844.db2.gz SZTSPVRHRIWHRP-JTQLQIEISA-N 0 0 289.301 1.734 50 0 CDAARN O=c1[nH]ncn1Cc1nc(-c2ccc(F)cc2Cl)no1 ZINC000194901017 189669641 /nfs/dbraw/zinc/66/96/41/189669641.db2.gz CPGGVMWLSLUFKR-UHFFFAOYSA-N 0 0 295.661 1.462 50 0 CDAARN COC(=O)c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000170620406 365074624 /nfs/dbraw/zinc/07/46/24/365074624.db2.gz LMJMLBDFAJBBOQ-UHFFFAOYSA-N 0 0 283.227 1.139 50 0 CDAARN CNc1ccccc1C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000293821645 370812554 /nfs/dbraw/zinc/81/25/54/370812554.db2.gz VAXBVMLHWKEGSL-UHFFFAOYSA-N 0 0 287.363 1.469 50 0 CDAARN Cc1cc(CS(=O)(=O)[C@@H](C)c2nc(C)no2)no1 ZINC000089604963 366884511 /nfs/dbraw/zinc/88/45/11/366884511.db2.gz ATLNWAWCHHGFSX-ZETCQYMHSA-N 0 0 271.298 1.350 50 0 CDAARN NC(=O)CC[C@@H]1CCCN(c2ccncc2F)C1 ZINC000641335010 365334322 /nfs/dbraw/zinc/33/43/22/365334322.db2.gz FNAXZAYGSRGAGT-JTQLQIEISA-N 0 0 251.305 1.703 50 0 CDAARN Cc1noc(CNC(=O)N[C@@](C)(CO)C2CCCCC2)n1 ZINC000088550088 365517438 /nfs/dbraw/zinc/51/74/38/365517438.db2.gz NFGPZAIRRZBXCK-AWEZNQCLSA-N 0 0 296.371 1.509 50 0 CDAARN COc1ccnc(C(=O)NCc2cn3c(cccc3C)n2)c1 ZINC000172291025 365508500 /nfs/dbraw/zinc/50/85/00/365508500.db2.gz RQEPOAVKCGQICE-UHFFFAOYSA-N 0 0 296.330 1.976 50 0 CDAARN CCOCCCNC(=O)CSc1nc(C)cc(N)n1 ZINC000012517423 366945923 /nfs/dbraw/zinc/94/59/23/366945923.db2.gz XBNJYZJRWRUAME-UHFFFAOYSA-N 0 0 284.385 1.002 50 0 CDAARN Cn1cc(COC(=O)c2cc(F)ccc2F)nn1 ZINC000089756634 366928083 /nfs/dbraw/zinc/92/80/83/366928083.db2.gz PWVZIRNJQZDVND-UHFFFAOYSA-N 0 0 253.208 1.450 50 0 CDAARN Cn1cc(C(N)=O)cc1C(=O)O[C@H]1CCc2ccccc2C1 ZINC000089754975 366928117 /nfs/dbraw/zinc/92/81/17/366928117.db2.gz JUZNMEXIDLBIOA-AWEZNQCLSA-N 0 0 298.342 1.838 50 0 CDAARN O=C(CC1(O)CCCCC1)NCc1cccc(CO)c1 ZINC000089774555 366931760 /nfs/dbraw/zinc/93/17/60/366931760.db2.gz DPQCHLICHLIKGE-UHFFFAOYSA-N 0 0 277.364 1.880 50 0 CDAARN C[C@@H](CO)CNS(=O)(=O)c1cccc2cccnc21 ZINC000089901348 366961950 /nfs/dbraw/zinc/96/19/50/366961950.db2.gz FPAKELUELDGRLM-SNVBAGLBSA-N 0 0 280.349 1.142 50 0 CDAARN 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O=S(=O)(NCc1ccccn1)c1ccc(F)cc1F ZINC000006052520 170172557 /nfs/dbraw/zinc/17/25/57/170172557.db2.gz OSMKFZIKRXWSMG-UHFFFAOYSA-N 0 0 284.287 1.838 50 0 CDAARN COc1ccc(S(=O)(=O)Nc2ccc(OC)nc2)cc1 ZINC000006052807 170172938 /nfs/dbraw/zinc/17/29/38/170172938.db2.gz HWNXZPDJKUZFJB-UHFFFAOYSA-N 0 0 294.332 1.900 50 0 CDAARN Cc1noc(C)c1CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000006219769 170183438 /nfs/dbraw/zinc/18/34/38/170183438.db2.gz JGCFQZLRZIPEOA-QWRGUYRKSA-N 0 0 260.293 1.743 50 0 CDAARN C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)NC(N)=O ZINC000006374197 170196078 /nfs/dbraw/zinc/19/60/78/170196078.db2.gz IZFAUUVBUSSALE-ZETCQYMHSA-N 0 0 298.368 1.793 50 0 CDAARN CCOC(=O)c1cnn(C(=O)c2ccc(OC)cc2)c1N ZINC000006439396 170201614 /nfs/dbraw/zinc/20/16/14/170201614.db2.gz QTVUHGRDPBURRV-UHFFFAOYSA-N 0 0 289.291 1.339 50 0 CDAARN CC(=O)NCc1cc2c(cc1Br)OCO2 ZINC000006698027 170227542 /nfs/dbraw/zinc/22/75/42/170227542.db2.gz WZGSXOGBDJICLC-UHFFFAOYSA-N 0 0 272.098 1.814 50 0 CDAARN CCc1noc(C)c1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000006698596 170227608 /nfs/dbraw/zinc/22/76/08/170227608.db2.gz WUOZZXIIIIEFBS-KCJUWKMLSA-N 0 0 252.314 1.843 50 0 CDAARN CCOC(=O)c1cccc(NC(=O)c2ccnn2C)c1 ZINC000006698564 170227620 /nfs/dbraw/zinc/22/76/20/170227620.db2.gz KHXQPQJPRPJYJP-UHFFFAOYSA-N 0 0 273.292 1.849 50 0 CDAARN O=C(Nc1ccncc1)c1cccc(-n2cnnc2)c1 ZINC000006701403 170229592 /nfs/dbraw/zinc/22/95/92/170229592.db2.gz ANVNVDFTQVUXCT-UHFFFAOYSA-N 0 0 265.276 1.915 50 0 CDAARN CCOC(=O)CSc1nnc(CC)n1C[C@H]1CCCO1 ZINC000006730735 170235156 /nfs/dbraw/zinc/23/51/56/170235156.db2.gz QUAGIUBXPSUNTI-SNVBAGLBSA-N 0 0 299.396 1.675 50 0 CDAARN CNC(=O)CN1C(=O)CS[C@H]1c1ccc(F)cc1 ZINC000006777131 170242709 /nfs/dbraw/zinc/24/27/09/170242709.db2.gz XULGMFYFZKWFGZ-LBPRGKRZSA-N 0 0 268.313 1.146 50 0 CDAARN COC(=O)c1c2c(sc1NC(=S)NC(C)=O)CCC2 ZINC000006856962 170250223 /nfs/dbraw/zinc/25/02/23/170250223.db2.gz XNGVITGYAKSEMX-UHFFFAOYSA-N 0 0 298.389 1.856 50 0 CDAARN CCCn1c(=O)[nH]nc1SCC(=O)NC1CCCCC1 ZINC000006888200 170253165 /nfs/dbraw/zinc/25/31/65/170253165.db2.gz AQFKOSQIOGBHAP-UHFFFAOYSA-N 0 0 298.412 1.522 50 0 CDAARN CC(=O)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000007069142 170266009 /nfs/dbraw/zinc/26/60/09/170266009.db2.gz QBGGMNNZCWTYGK-NSHDSACASA-N 0 0 281.333 1.262 50 0 CDAARN Cc1ccccc1NC(=O)CCN1C(=O)CCC1=O ZINC000007070019 170266158 /nfs/dbraw/zinc/26/61/58/170266158.db2.gz WJFVFGANSDAOLB-UHFFFAOYSA-N 0 0 260.293 1.473 50 0 CDAARN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=O ZINC000007141024 170268474 /nfs/dbraw/zinc/26/84/74/170268474.db2.gz YKTNSBLXXKIXBS-ZETCQYMHSA-N 0 0 262.718 1.017 50 0 CDAARN Cc1csc(SCC(=O)NC(=O)NC2CC2)n1 ZINC000007195474 170271017 /nfs/dbraw/zinc/27/10/17/170271017.db2.gz HSRMDOLLJHXWDD-UHFFFAOYSA-N 0 0 271.367 1.532 50 0 CDAARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)N(C)C ZINC000007339912 170277784 /nfs/dbraw/zinc/27/77/84/170277784.db2.gz TVVOPQJUXUODIA-VIFPVBQESA-N 0 0 277.353 1.231 50 0 CDAARN CC(C)NC(=O)COC(=O)c1ccc(F)cc1N ZINC000007374893 170280098 /nfs/dbraw/zinc/28/00/98/170280098.db2.gz SBYXLHHABUPVBR-UHFFFAOYSA-N 0 0 254.261 1.089 50 0 CDAARN Cc1nnc(COC(=O)c2ccc(N(C)C)cc2)o1 ZINC000007437377 170284875 /nfs/dbraw/zinc/28/48/75/170284875.db2.gz NSIRYOQHMDWKTP-UHFFFAOYSA-N 0 0 261.281 1.801 50 0 CDAARN CCNC(=O)[C@H](C)NC(=O)c1cc2ccccc2oc1=O ZINC000007643604 170295244 /nfs/dbraw/zinc/29/52/44/170295244.db2.gz ZFDWNKFKKFRYJO-VIFPVBQESA-N 0 0 288.303 1.047 50 0 CDAARN Cc1ccc2[nH]c(SCc3nc(N)nc(N)n3)nc2c1 ZINC000007676206 170297206 /nfs/dbraw/zinc/29/72/06/170297206.db2.gz YHGHJCOBDIYDLU-UHFFFAOYSA-N 0 0 287.352 1.513 50 0 CDAARN CCCC(=O)OCC(=O)NCc1ccc(OC)cc1 ZINC000007734557 170299320 /nfs/dbraw/zinc/29/93/20/170299320.db2.gz LRLDHGLSQLVERC-UHFFFAOYSA-N 0 0 265.309 1.655 50 0 CDAARN Cn1cnnc1SCC(=O)NC(=O)Nc1ccccc1 ZINC000007857753 170305537 /nfs/dbraw/zinc/30/55/37/170305537.db2.gz ADLPWKFEOZMCNH-UHFFFAOYSA-N 0 0 291.336 1.256 50 0 CDAARN CCOc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000007918398 170307584 /nfs/dbraw/zinc/30/75/84/170307584.db2.gz SKXPWYJLIIMNFQ-NSHDSACASA-N 0 0 297.376 1.849 50 0 CDAARN CNC(=O)CNc1nc(C)nc2sc3c(c21)CCC3 ZINC000008119504 170319669 /nfs/dbraw/zinc/31/96/69/170319669.db2.gz ZBQUYWGLUPWKIL-UHFFFAOYSA-N 0 0 276.365 1.646 50 0 CDAARN CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)N1CCCC1 ZINC000008132201 170320446 /nfs/dbraw/zinc/32/04/46/170320446.db2.gz IOZKWTNNEBSNIW-VIFPVBQESA-N 0 0 297.380 1.661 50 0 CDAARN NC(=O)[C@@H]1CCCN(CC(=O)Nc2c(F)cccc2F)C1 ZINC000008172231 170322863 /nfs/dbraw/zinc/32/28/63/170322863.db2.gz QVUIYTYRRUPOKL-SECBINFHSA-N 0 0 297.305 1.101 50 0 CDAARN CN(C)C(=O)CNC(=O)COc1ccccc1C(C)(C)C ZINC000008402356 170334880 /nfs/dbraw/zinc/33/48/80/170334880.db2.gz DLWRMCCZHIGZGQ-UHFFFAOYSA-N 0 0 292.379 1.567 50 0 CDAARN CCOc1ccc(Cc2c(C)nc(N)[nH]c2=O)cc1 ZINC000008662589 170344546 /nfs/dbraw/zinc/34/45/46/170344546.db2.gz WATXCYJQUBTTOF-UHFFFAOYSA-N 0 0 259.309 1.650 50 0 CDAARN CCc1cc(S(=O)(=O)NC(C)C)ccc1OC ZINC000008715013 170348966 /nfs/dbraw/zinc/34/89/66/170348966.db2.gz YZRUYXIPXPXPBZ-UHFFFAOYSA-N 0 0 257.355 1.944 50 0 CDAARN O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C1CC1 ZINC000008736684 170352418 /nfs/dbraw/zinc/35/24/18/170352418.db2.gz FVRRPEHDCSDQJP-JTQLQIEISA-N 0 0 276.311 1.705 50 0 CDAARN O=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCC2 ZINC000008737563 170353106 /nfs/dbraw/zinc/35/31/06/170353106.db2.gz HAOARHCKRHOBIH-UHFFFAOYSA-N 0 0 295.408 1.117 50 0 CDAARN Cc1cc(OS(C)(=O)=O)nc2c1cnn2C(C)C ZINC000008754309 170354342 /nfs/dbraw/zinc/35/43/42/170354342.db2.gz SKVGSPUDSZLUHO-UHFFFAOYSA-N 0 0 269.326 1.659 50 0 CDAARN CS(=O)(=O)c1nnc(NC(=O)c2cccs2)s1 ZINC000009134504 170364386 /nfs/dbraw/zinc/36/43/86/170364386.db2.gz JOKGZYBGVMPNSI-UHFFFAOYSA-N 0 0 289.363 1.255 50 0 CDAARN CC(C)CNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 ZINC000009155903 170365286 /nfs/dbraw/zinc/36/52/86/170365286.db2.gz QUCZLAZKVSBMBA-CQSZACIVSA-N 0 0 287.363 1.993 50 0 CDAARN Cc1cnc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)s1 ZINC000009253936 170368670 /nfs/dbraw/zinc/36/86/70/170368670.db2.gz CDYZJFYUQQCSLE-QPUJVOFHSA-N 0 0 297.405 1.844 50 0 CDAARN CC(C)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000009256547 170369105 /nfs/dbraw/zinc/36/91/05/170369105.db2.gz AJLJOSNCZYZCRG-SECBINFHSA-N 0 0 270.354 1.108 50 0 CDAARN CCCCCCOC(=O)Cc1c(C)nc(N)[nH]c1=O ZINC000009312109 170371164 /nfs/dbraw/zinc/37/11/64/170371164.db2.gz BXFMXAVJLSYQON-UHFFFAOYSA-N 0 0 267.329 1.327 50 0 CDAARN CN(C)C(=O)C1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000009314357 170371350 /nfs/dbraw/zinc/37/13/50/170371350.db2.gz FEFBYIBUHWFEFI-UHFFFAOYSA-N 0 0 295.427 1.236 50 0 CDAARN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1S(=O)(=O)N(C)C ZINC000009314412 170371500 /nfs/dbraw/zinc/37/15/00/170371500.db2.gz UGSGYXUZUPACCN-JQWIXIFHSA-N 0 0 296.392 1.840 50 0 CDAARN Cc1nc2ncc3c(ccn(Cc4cccnc4)c3=O)n2n1 ZINC000009422787 170376454 /nfs/dbraw/zinc/37/64/54/170376454.db2.gz YEPGBZDLYCFXLO-UHFFFAOYSA-N 0 0 292.302 1.191 50 0 CDAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nccc(=O)[nH]2)[C@@H]1C ZINC000009441636 170376773 /nfs/dbraw/zinc/37/67/73/170376773.db2.gz LQZUNPHJCABTIF-MXWKQRLJSA-N 0 0 295.408 1.803 50 0 CDAARN CCn1nnnc1SCN1C(=O)c2ccccc2C1=O ZINC000009450902 170377239 /nfs/dbraw/zinc/37/72/39/170377239.db2.gz KMOUWXBKRRKFCR-UHFFFAOYSA-N 0 0 289.320 1.039 50 0 CDAARN C[C@H](Oc1c(F)c(F)cc(F)c1F)C(=O)NC(N)=O ZINC000009499622 170379208 /nfs/dbraw/zinc/37/92/08/170379208.db2.gz VLEFNWOHWALYDO-VKHMYHEASA-N 0 0 280.177 1.205 50 0 CDAARN CNC(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000009638713 170383567 /nfs/dbraw/zinc/38/35/67/170383567.db2.gz FTABFLAOPYPRTN-UHFFFAOYSA-N 0 0 284.381 1.108 50 0 CDAARN COc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 ZINC000009710740 170384676 /nfs/dbraw/zinc/38/46/76/170384676.db2.gz UVDFHTLEXNMOQA-UHFFFAOYSA-N 0 0 291.351 1.117 50 0 CDAARN Cc1cc(Cl)ccc1NC(=O)CN1C(=O)N[C@@H](C)C1=O ZINC000009836284 170386716 /nfs/dbraw/zinc/38/67/16/170386716.db2.gz CQWRCEOPDCABQS-QMMMGPOBSA-N 0 0 295.726 1.527 50 0 CDAARN O=C(NCCCc1ccccc1)C(=O)Nc1cccnc1 ZINC000009858690 170387044 /nfs/dbraw/zinc/38/70/44/170387044.db2.gz XQKRPJUSAPBMJZ-UHFFFAOYSA-N 0 0 283.331 1.769 50 0 CDAARN CC(C)NC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000009953536 170392195 /nfs/dbraw/zinc/39/21/95/170392195.db2.gz MJSFNLAKBUAROP-UHFFFAOYSA-N 0 0 259.309 1.001 50 0 CDAARN [NH3+][C@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)[O-] ZINC000009970529 170392442 /nfs/dbraw/zinc/39/24/42/170392442.db2.gz OAORYCZPERQARS-SECBINFHSA-N 0 0 283.125 1.885 50 0 in-vitro CDAARN Cc1cc(NC(=O)CSc2cccc[n+]2[O-])n(C)n1 ZINC000010951517 170413707 /nfs/dbraw/zinc/41/37/07/170413707.db2.gz NZTHOBVQXVSNSO-UHFFFAOYSA-N 0 0 278.337 1.093 50 0 CDAARN COc1ccc(S(=O)(=O)NCCO)c2ccccc12 ZINC000011566256 170420278 /nfs/dbraw/zinc/42/02/78/170420278.db2.gz XWKFJKLBJTYMBL-UHFFFAOYSA-N 0 0 281.333 1.119 50 0 CDAARN CCCCN(C)c1c(C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000012226516 170473494 /nfs/dbraw/zinc/47/34/94/170473494.db2.gz KCXNBICFUPCTFI-UHFFFAOYSA-N 0 0 290.367 1.177 50 0 CDAARN Cc1cc(C(=O)Nc2cccc3c2C(=O)N(C)C3=O)on1 ZINC000012422539 170487687 /nfs/dbraw/zinc/48/76/87/170487687.db2.gz ZJZVPEZSRMYZSB-UHFFFAOYSA-N 0 0 285.259 1.461 50 0 CDAARN CCSc1nnc(-c2cn(C)nc2OC)n1C ZINC000012422547 170487851 /nfs/dbraw/zinc/48/78/51/170487851.db2.gz YNTSACNOBBCPOO-UHFFFAOYSA-N 0 0 253.331 1.336 50 0 CDAARN CCCN(C(=O)/C=C/c1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000012553446 170497056 /nfs/dbraw/zinc/49/70/56/170497056.db2.gz AYBSSZYYSZCLSV-FYJFLYSWSA-N 0 0 297.376 1.719 50 0 CDAARN Cc1c(C)c(C)c(S(=O)(=O)NCCC(N)=O)c(C)c1C ZINC000012865120 170515485 /nfs/dbraw/zinc/51/54/85/170515485.db2.gz IRWCTPHKEGGTMT-UHFFFAOYSA-N 0 0 298.408 1.382 50 0 CDAARN CC[C@@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000012869723 170515776 /nfs/dbraw/zinc/51/57/76/170515776.db2.gz MPDAGKGBIYVSGR-SECBINFHSA-N 0 0 293.298 1.557 50 0 CDAARN COc1ccccc1[C@H](C)Nc1ccc2nnnn2n1 ZINC000012897332 170517945 /nfs/dbraw/zinc/51/79/45/170517945.db2.gz UKBQJKFSHGJNRI-VIFPVBQESA-N 0 0 270.296 1.701 50 0 CDAARN 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/nfs/dbraw/zinc/39/57/05/171395705.db2.gz WUEODZOOWOJNME-UHFFFAOYSA-N 0 0 287.363 1.674 50 0 CDAARN Cc1c(C(=O)OCc2nnnn2-c2ccccc2)cnn1C ZINC000023202984 171415895 /nfs/dbraw/zinc/41/58/95/171415895.db2.gz FUKOENPLEJIGHU-UHFFFAOYSA-N 0 0 298.306 1.061 50 0 CDAARN C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc2c[nH]nc21 ZINC000024439944 171434899 /nfs/dbraw/zinc/43/48/99/171434899.db2.gz VGWBQZYEPMLNTK-VIFPVBQESA-N 0 0 298.302 1.913 50 0 CDAARN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 ZINC000027394386 171515993 /nfs/dbraw/zinc/51/59/93/171515993.db2.gz ZYMZBHHFDSFHFE-AAEUAGOBSA-N 0 0 294.351 1.329 50 0 CDAARN CNC(=O)NC(=O)CCSc1ccc(F)c(F)c1 ZINC000028988198 171582902 /nfs/dbraw/zinc/58/29/02/171582902.db2.gz BVOQVBOOZLGCTN-UHFFFAOYSA-N 0 0 274.292 1.903 50 0 CDAARN O=C(CCc1nc(-c2ccncc2)no1)NCc1ccco1 ZINC000029065180 171585136 /nfs/dbraw/zinc/58/51/36/171585136.db2.gz DTBZYZNMPDGZOZ-UHFFFAOYSA-N 0 0 298.302 1.974 50 0 CDAARN CC[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000029630068 171606611 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/nfs/dbraw/zinc/74/00/16/175740016.db2.gz UDADFPKRIWTMLX-LBPRGKRZSA-N 0 0 273.336 1.848 50 0 CDAARN O=C([O-])[C@@H]1C[C@H](n2cc(CC3CCCCC3)nn2)C[NH2+]1 ZINC000067673793 175781678 /nfs/dbraw/zinc/78/16/78/175781678.db2.gz OYONJQHNXVXQFC-STQMWFEESA-N 0 0 278.356 1.389 50 0 CDAARN OCCN1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000071551927 176196566 /nfs/dbraw/zinc/19/65/66/176196566.db2.gz NITVCABEUQMHQD-CYBMUJFWSA-N 0 0 289.297 1.941 50 0 CDAARN c1ccc(C2CN(Cc3noc([C@H]4CCCO4)n3)C2)nc1 ZINC000071746565 176258001 /nfs/dbraw/zinc/25/80/01/176258001.db2.gz JDFHSHDHZMFFSP-CYBMUJFWSA-N 0 0 286.335 1.916 50 0 CDAARN Cc1nnsc1CN1CCC(N2CCCC2=O)CC1 ZINC000071746904 176258734 /nfs/dbraw/zinc/25/87/34/176258734.db2.gz DOHIPCLXYWQTCX-UHFFFAOYSA-N 0 0 280.397 1.433 50 0 CDAARN CC1=NN(CC(=O)N[C@H](C)c2nc(C(C)C)no2)CC1 ZINC000071748823 176259442 /nfs/dbraw/zinc/25/94/42/176259442.db2.gz JKXPEXDUXLGAMM-SNVBAGLBSA-N 0 0 279.344 1.452 50 0 CDAARN Cn1ccnc1CN1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072128893 176321162 /nfs/dbraw/zinc/32/11/62/176321162.db2.gz NRFMUDHZCHMKCE-CQSZACIVSA-N 0 0 278.356 1.227 50 0 CDAARN Cn1nc2c(c1C(=O)N1CCn3cncc3C1)CCCC2 ZINC000072154046 176327912 /nfs/dbraw/zinc/32/79/12/176327912.db2.gz UBRYXBRSFFNOQH-UHFFFAOYSA-N 0 0 285.351 1.151 50 0 CDAARN CC(=O)N1CCc2c(nc(C)nc2NCc2ccco2)C1 ZINC000072158552 176329074 /nfs/dbraw/zinc/32/90/74/176329074.db2.gz SIOGITMGRGCWPU-UHFFFAOYSA-N 0 0 286.335 1.895 50 0 CDAARN CC[C@H](C(=O)N1CC(c2cccnc2)C1)n1cccn1 ZINC000072157810 176329466 /nfs/dbraw/zinc/32/94/66/176329466.db2.gz YDGIFTJYJNSFPH-CQSZACIVSA-N 0 0 270.336 1.855 50 0 CDAARN Cc1c[nH]c(C(=O)N2CCC[C@@]3(CNC(=O)O3)CC2)c1 ZINC000072166999 176331797 /nfs/dbraw/zinc/33/17/97/176331797.db2.gz WFEMXGBIWXJBAZ-AWEZNQCLSA-N 0 0 277.324 1.428 50 0 CDAARN O=C([C@H]1CCC(=O)N1Cc1ccco1)N1CCSCC1 ZINC000072239661 176347762 /nfs/dbraw/zinc/34/77/62/176347762.db2.gz IWLOAJDARCTGSX-GFCCVEGCSA-N 0 0 294.376 1.346 50 0 CDAARN C[C@@H](C(=O)NCC1CC1)n1ccc(C(F)(F)F)n1 ZINC000072259490 176350993 /nfs/dbraw/zinc/35/09/93/176350993.db2.gz MOAWLJSGJYFPEO-ZETCQYMHSA-N 0 0 261.247 1.989 50 0 CDAARN O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@H]1c1cccnc1 ZINC000072278861 176357573 /nfs/dbraw/zinc/35/75/73/176357573.db2.gz GQBNBGSCQVHFDU-RDBSUJKOSA-N 0 0 282.347 1.513 50 0 CDAARN O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCCC1 ZINC000072403048 176397300 /nfs/dbraw/zinc/39/73/00/176397300.db2.gz JZOBJVJTXVIHEL-UHFFFAOYSA-N 0 0 275.352 1.135 50 0 CDAARN Cc1nn(C)c2ncnc(NCC3(CO)CCC3)c12 ZINC000072427251 176402239 /nfs/dbraw/zinc/40/22/39/176402239.db2.gz MWJLRMKCRLMMMZ-UHFFFAOYSA-N 0 0 261.329 1.246 50 0 CDAARN CC(C)(O)CCc1ccc(C(=O)N2CC[C@H](O)C2)cc1 ZINC000072474927 176406911 /nfs/dbraw/zinc/40/69/11/176406911.db2.gz DTOJCPXLBOIHPL-AWEZNQCLSA-N 0 0 277.364 1.597 50 0 CDAARN CSC[C@](C)(O)CNC(=O)NCCc1ccccc1 ZINC000075157359 176668226 /nfs/dbraw/zinc/66/82/26/176668226.db2.gz WOVOHSMSXHNAOP-CQSZACIVSA-N 0 0 282.409 1.642 50 0 CDAARN O=C(c1ccc[nH]c1=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000075552171 176730598 /nfs/dbraw/zinc/73/05/98/176730598.db2.gz PCJQOWNNRGVFDL-JTQLQIEISA-N 0 0 272.308 1.530 50 0 CDAARN CN1C[C@@H](C(=O)Nc2ccc3c(c2)CCO3)CC1=O ZINC000075901477 176817356 /nfs/dbraw/zinc/81/73/56/176817356.db2.gz PMIMGMMDHNNMKO-JTQLQIEISA-N 0 0 260.293 1.038 50 0 CDAARN O=C(c1ncccc1O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077353611 177255897 /nfs/dbraw/zinc/25/58/97/177255897.db2.gz CZFSSKHTNZUFNS-SNVBAGLBSA-N 0 0 272.308 1.530 50 0 CDAARN COC[C@@H](C)n1c(CCCC(N)=O)nc2cccnc21 ZINC000077458788 177271434 /nfs/dbraw/zinc/27/14/34/177271434.db2.gz DCOQWAMLXOCJKY-SNVBAGLBSA-N 0 0 276.340 1.447 50 0 CDAARN Cc1nn(CCO)c(C)c1-n1ccnc1-c1nc[nH]c1C ZINC000077488356 177274564 /nfs/dbraw/zinc/27/45/64/177274564.db2.gz BGBZMRMWEUZLJQ-UHFFFAOYSA-N 0 0 286.339 1.376 50 0 CDAARN CCCc1cnc(C)nc1N1CCOC[C@H](CO)C1 ZINC000077489370 177274623 /nfs/dbraw/zinc/27/46/23/177274623.db2.gz ZRJWLCNMXFJSFN-LBPRGKRZSA-N 0 0 265.357 1.183 50 0 CDAARN Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 ZINC000024029964 260126698 /nfs/dbraw/zinc/12/66/98/260126698.db2.gz SORGGYKEDYNADA-UHFFFAOYSA-N 0 0 294.355 1.113 50 0 CDAARN Cc1oc(C)c(C(=O)NCC(=O)NCc2ccco2)c1C ZINC000032821053 423973622 /nfs/dbraw/zinc/97/36/22/423973622.db2.gz GREVYGVOIMFLKB-UHFFFAOYSA-N 0 0 290.319 1.844 50 0 CDAARN CN(CCO)c1ccc(N[C@H]2CCCn3ccnc32)nc1 ZINC000655743566 424362521 /nfs/dbraw/zinc/36/25/21/424362521.db2.gz HPJYJAZZJKCLOR-ZDUSSCGKSA-N 0 0 287.367 1.654 50 0 CDAARN C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC000663101516 424651559 /nfs/dbraw/zinc/65/15/59/424651559.db2.gz SHYQDPORZOIQCJ-HSMVNMDESA-N 0 0 294.395 1.573 50 0 CDAARN C[C@H]1CC[C@@H](C(N)=O)CN1c1noc(C(C)(C)C)n1 ZINC000195575035 533687193 /nfs/dbraw/zinc/68/71/93/533687193.db2.gz XZQRVTCDGIEZMO-DTWKUNHWSA-N 0 0 266.345 1.457 50 0 CDAARN Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(F)cc1 ZINC000000612213 274965591 /nfs/dbraw/zinc/96/55/91/274965591.db2.gz FXRFMCDLHSKARY-UHFFFAOYSA-N 0 0 283.266 1.750 50 0 CDAARN Brc1n[nH]cc1I ZINC000230504596 276766389 /nfs/dbraw/zinc/76/63/89/276766389.db2.gz GCXJYBLZNXJFHY-UHFFFAOYSA-N 0 0 272.871 1.777 50 0 CDAARN CN(C)[C@H](CNC(=O)N1CCCC1)c1ccco1 ZINC000298398277 276789775 /nfs/dbraw/zinc/78/97/75/276789775.db2.gz VTMWOMSPCFKROL-LLVKDONJSA-N 0 0 251.330 1.688 50 0 CDAARN CC(=O)N[C@H]1C(=O)Nc2c1cccc2C(F)(F)F ZINC000100186561 277055467 /nfs/dbraw/zinc/05/54/67/277055467.db2.gz FAYWFKQYZYOVAO-SECBINFHSA-N 0 0 258.199 1.835 50 0 CDAARN CC(C)(C)OC(=O)N1CCN[C@@H](c2ccncc2)C1 ZINC000095752339 277189264 /nfs/dbraw/zinc/18/92/64/277189264.db2.gz WEMMCZNXZKRCMF-GFCCVEGCSA-N 0 0 263.341 1.963 50 0 CDAARN CNC(=O)NC(=O)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000023654004 277236811 /nfs/dbraw/zinc/23/68/11/277236811.db2.gz FNONBENAVCVUMO-HNNXBMFYSA-N 0 0 297.358 1.973 50 0 CDAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2CCC(=O)N21 ZINC000001859488 277371426 /nfs/dbraw/zinc/37/14/26/277371426.db2.gz QVCCUGYLVYNCBO-OLZOCXBDSA-N 0 0 284.315 1.929 50 0 biogenic CDAARN CC(C)[C@H](Sc1ncc2ccccn21)C(=O)NC(N)=O ZINC000026372219 277926069 /nfs/dbraw/zinc/92/60/69/277926069.db2.gz OTFRHHDIASXCKV-JTQLQIEISA-N 0 0 292.364 1.646 50 0 CDAARN CC(=O)N1N=C(C2CC2)O[C@@]12c1ccccc1NC2=O ZINC000004770038 278074565 /nfs/dbraw/zinc/07/45/65/278074565.db2.gz MELANYNGDLMJMF-CQSZACIVSA-N 0 0 271.276 1.394 50 0 CDAARN CC(=O)N1c2ccccc2N(C(C)=O)[C@H](C)CC1=O ZINC000000268905 278077927 /nfs/dbraw/zinc/07/79/27/278077927.db2.gz ZSPPQCKQPRRKSY-SECBINFHSA-N 0 0 260.293 1.711 50 0 CDAARN CC(C)c1nnsc1CN1CCC[C@@]2(CNC(=O)O2)C1 ZINC000072158418 278111168 /nfs/dbraw/zinc/11/11/68/278111168.db2.gz GJAJOIGRPJBFNF-CYBMUJFWSA-N 0 0 296.396 1.736 50 0 CDAARN CC(=O)OC(OC(C)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000000173338 278217758 /nfs/dbraw/zinc/21/77/58/278217758.db2.gz UXAAHLLLAUVZHH-UHFFFAOYSA-N 0 0 286.305 1.215 50 0 CDAARN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CO)C1 ZINC000091692695 278381735 /nfs/dbraw/zinc/38/17/35/278381735.db2.gz QUZQGMWILDEHEY-MRVPVSSYSA-N 0 0 251.273 1.871 50 0 CDAARN CC(C)C(=O)N[C@@H](C)c1nc2ccccc2n1CC(N)=O ZINC000032497941 278690748 /nfs/dbraw/zinc/69/07/48/278690748.db2.gz LDZYFIDPVYLPIO-JTQLQIEISA-N 0 0 288.351 1.355 50 0 CDAARN CC(C)COCCN1CCS(=O)(=O)C[C@@H](C)C1 ZINC000253398405 278923122 /nfs/dbraw/zinc/92/31/22/278923122.db2.gz MSLIJTSDXWKTJA-LBPRGKRZSA-N 0 0 263.403 1.026 50 0 CDAARN CCN(CC)S(=O)(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000123695985 279139439 /nfs/dbraw/zinc/13/94/39/279139439.db2.gz KALUAQDBLQJATF-RYUDHWBXSA-N 0 0 276.402 1.216 50 0 CDAARN Cc1nc2sc3c(ncn(N)c3=O)c2c2c1CCCC2 ZINC000000503664 279146843 /nfs/dbraw/zinc/14/68/43/279146843.db2.gz BLXUAEJJTJVFCD-UHFFFAOYSA-N 0 0 286.360 1.907 50 0 CDAARN Cc1nn(C)c2c1nc(C)nc2N1C[C@@H](C)O[C@H](C)C1 ZINC000032650356 279203703 /nfs/dbraw/zinc/20/37/03/279203703.db2.gz RIDGDLGQMJPPLM-RKDXNWHRSA-N 0 0 275.356 1.594 50 0 CDAARN Cc1noc(C)c1-n1nc2ccc3nonc3c2n1 ZINC000000492734 279247037 /nfs/dbraw/zinc/24/70/37/279247037.db2.gz HGGNMXMIRWLMEI-UHFFFAOYSA-N 0 0 256.225 1.562 50 0 CDAARN C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000084678331 279248582 /nfs/dbraw/zinc/24/85/82/279248582.db2.gz WIKZMMKYFADRMQ-MNOVXSKESA-N 0 0 261.321 1.871 50 0 CDAARN CC1(C)CN(C(=O)CC2=CCCCC2)CCS1(=O)=O ZINC000089919578 279270422 /nfs/dbraw/zinc/27/04/22/279270422.db2.gz MUYBUFPKUUJSPL-UHFFFAOYSA-N 0 0 285.409 1.913 50 0 CDAARN Cn1c2ccc(NC(=O)c3ccco3)cc2n(C)c1=O ZINC000004488108 279318342 /nfs/dbraw/zinc/31/83/42/279318342.db2.gz PXUXISCPTMJYNY-UHFFFAOYSA-N 0 0 271.276 1.722 50 0 CDAARN Cn1ccc2c1nccc2-c1nc(N)nc2n[nH]cc21 ZINC000072433575 279365498 /nfs/dbraw/zinc/36/54/98/279365498.db2.gz NKJGIFFMJLIZMP-UHFFFAOYSA-N 0 0 265.280 1.489 50 0 CDAARN Cn1nc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1=O ZINC000022550975 279395795 /nfs/dbraw/zinc/39/57/95/279395795.db2.gz UYSSDXWQIYBRKV-AWEZNQCLSA-N 0 0 283.331 1.758 50 0 CDAARN Cn1nc(C(=O)NC(C)(C)C)c2ccccc2c1=O ZINC000001431677 279396580 /nfs/dbraw/zinc/39/65/80/279396580.db2.gz SSWBOZAHTZXXHZ-UHFFFAOYSA-N 0 0 259.309 1.462 50 0 CDAARN O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc3c(s2)CCCC3)C[NH2+]1 ZINC000095499858 280071228 /nfs/dbraw/zinc/07/12/28/280071228.db2.gz WUIBXUMJFVFGNW-UWVGGRQHSA-N 0 0 294.376 1.172 50 0 CDAARN O=C1C[C@@]2(CCN(c3ccc4ccccc4n3)C2)CN1 ZINC000279183696 280270904 /nfs/dbraw/zinc/27/09/04/280270904.db2.gz VTOZNDPBDLAYOK-INIZCTEOSA-N 0 0 267.332 1.951 50 0 CDAARN Cc1c2ccccc2oc1C(=O)NN1CCN(C)CC1 ZINC000004749939 280273241 /nfs/dbraw/zinc/27/32/41/280273241.db2.gz HSAQBMVUBOJJHO-UHFFFAOYSA-N 0 0 273.336 1.633 50 0 CDAARN O=C1NCCN(CCc2ccccn2)[C@@H]1c1cccc(F)c1 ZINC000244701205 280288688 /nfs/dbraw/zinc/28/86/88/280288688.db2.gz KCCVBJYZNRRUHP-MRXNPFEDSA-N 0 0 299.349 1.936 50 0 CDAARN C[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000246758313 280302369 /nfs/dbraw/zinc/30/23/69/280302369.db2.gz PYAZOUVPZODDAK-BLFANLJRSA-N 0 0 270.398 1.749 50 0 CDAARN O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc(O)cc1 ZINC000004019027 280329007 /nfs/dbraw/zinc/32/90/07/280329007.db2.gz QVYFRGKDIIMGAX-FQPOAREZSA-N 0 0 257.289 1.928 50 0 CDAARN Cc1cc(C)c(NC(=O)c2ccc(=O)n(C)n2)c(C)c1 ZINC000011780784 280394270 /nfs/dbraw/zinc/39/42/70/280394270.db2.gz KEHXWARAIGTORS-UHFFFAOYSA-N 0 0 271.320 1.958 50 0 CDAARN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CN(C)S(C)(=O)=O ZINC000252201362 280523489 /nfs/dbraw/zinc/52/34/89/280523489.db2.gz WIXSMZAKZCCMIL-IJLUTSLNSA-N 0 0 288.413 1.057 50 0 CDAARN Cc1ccc(-n2c3nc(N)sc3c(=O)[nH]c2=O)cc1 ZINC000001056690 280739001 /nfs/dbraw/zinc/73/90/01/280739001.db2.gz TUZJFQYHUDEZTC-UHFFFAOYSA-N 0 0 274.305 1.026 50 0 CDAARN CC[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)C(=O)OC ZINC000192852879 280979251 /nfs/dbraw/zinc/97/92/51/280979251.db2.gz LZLBATTXCZTKAR-UBHSHLNASA-N 0 0 290.363 1.722 50 0 CDAARN Cc1ccc2c(c1)c(=O)c1c3n2CCN(CC(N)=O)[C@@H]3CC1 ZINC000057448069 281129027 /nfs/dbraw/zinc/12/90/27/281129027.db2.gz XECDESXLYIHNTG-CQSZACIVSA-N 0 0 297.358 1.098 50 0 biogenic CDAARN Cc1cccc(-c2cnc3c(C(N)=O)cnn3c2)c1 ZINC000426370317 281185744 /nfs/dbraw/zinc/18/57/44/281185744.db2.gz XGRQHPYWROJBDA-UHFFFAOYSA-N 0 0 252.277 1.804 50 0 CDAARN Cc1cccc(-n2ccc3c(cnc4ncnn43)c2=O)c1 ZINC000019958911 281188403 /nfs/dbraw/zinc/18/84/03/281188403.db2.gz IADDBTXBYOCJDM-UHFFFAOYSA-N 0 0 277.287 1.737 50 0 CDAARN CC1(C)C[C@H](C2N3CC4(C)CN2CC(C)(C3)C4O)CCO1 ZINC000019323164 281334079 /nfs/dbraw/zinc/33/40/79/281334079.db2.gz PWOMJHCPFDSWQD-UXCWVVDGSA-N 0 0 294.439 1.536 50 0 biogenic CDAARN CCc1nc(CNC(=O)c2ccc3nnnn3c2)cs1 ZINC000532065000 281900521 /nfs/dbraw/zinc/90/05/21/281900521.db2.gz ZAWVXIUOPAKCPI-UHFFFAOYSA-N 0 0 288.336 1.073 50 0 CDAARN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000032768024 288816283 /nfs/dbraw/zinc/81/62/83/288816283.db2.gz SNGKGDSQPMUPEK-PWSUYJOCSA-N 0 0 279.361 1.399 50 0 CDAARN CCC[C@H]1SCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC000095398847 289062604 /nfs/dbraw/zinc/06/26/04/289062604.db2.gz NCASHHJCMBDNOA-GXSJLCMTSA-N 0 0 256.371 1.214 50 0 CDAARN CN(CCOc1ccccc1)C(=O)C(=O)c1cccn1C ZINC000558352691 290387558 /nfs/dbraw/zinc/38/75/58/290387558.db2.gz TYBIJRBEGFGCTN-UHFFFAOYSA-N 0 0 286.331 1.745 50 0 CDAARN Cc1ncn(CC2(O)CCC(C)CC2)c(=O)c1C ZINC000096500986 293663632 /nfs/dbraw/zinc/66/36/32/293663632.db2.gz UFNSGWAYHAIKSH-UHFFFAOYSA-N 0 0 250.342 1.801 50 0 CDAARN CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000012659563 294038543 /nfs/dbraw/zinc/03/85/43/294038543.db2.gz GPNUVPVTXHBPJI-OGBGREFGSA-N 0 0 274.313 1.029 50 0 biogenic CDAARN Cn1ccc(NC(=O)CN2CCC[C@@H]2c2ccccn2)n1 ZINC000252483329 294355495 /nfs/dbraw/zinc/35/54/95/294355495.db2.gz DZCUQRYIQOFQOJ-CYBMUJFWSA-N 0 0 285.351 1.591 50 0 CDAARN Cn1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 ZINC000075911446 294362409 /nfs/dbraw/zinc/36/24/09/294362409.db2.gz RRVLNFPOTNWZDZ-LBPRGKRZSA-N 0 0 292.360 1.095 50 0 CDAARN NC(=O)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000003351839 295076304 /nfs/dbraw/zinc/07/63/04/295076304.db2.gz MJZCRCNUYAUJNC-UHFFFAOYSA-N 0 0 291.090 1.345 50 0 CDAARN O=C(NC(=S)N[C@H]1CCSC1=O)c1ccc(F)cc1 ZINC000000459012 295590344 /nfs/dbraw/zinc/59/03/44/295590344.db2.gz ADAREQPVNRNWRS-VIFPVBQESA-N 0 0 298.364 1.462 50 0 CDAARN O=C1CS(=O)CC(=O)N1c1c(Cl)cccc1Cl ZINC000001391657 304643274 /nfs/dbraw/zinc/64/32/74/304643274.db2.gz ISHODSVRAJMSRB-UHFFFAOYSA-N 0 0 292.143 1.615 50 0 CDAARN Cc1c[nH]c(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000097594926 301023910 /nfs/dbraw/zinc/02/39/10/301023910.db2.gz UYAZUGFHMJEVMN-NSHDSACASA-N 0 0 251.330 1.937 50 0 CDAARN Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(C)C3)c1 ZINC000012346111 302036957 /nfs/dbraw/zinc/03/69/57/302036957.db2.gz MERNBHPJLLFRIV-GFCCVEGCSA-N 0 0 257.293 1.075 50 0 CDAARN Cc1ccccc1CC(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000032885668 302095020 /nfs/dbraw/zinc/09/50/20/302095020.db2.gz QYGBAKZCVHYECS-AWEZNQCLSA-N 0 0 274.364 1.617 50 0 CDAARN Cc1ccccc1[C@@H]1C(C(N)=O)=C(C)Nc2ncnn21 ZINC000035507591 302146474 /nfs/dbraw/zinc/14/64/74/302146474.db2.gz BXPNMZMCMNWMKS-GFCCVEGCSA-N 0 0 269.308 1.361 50 0 CDAARN Cc1noc([C@H](C)N(C)C(=O)c2cc(C)sn2)n1 ZINC000563373411 316275995 /nfs/dbraw/zinc/27/59/95/316275995.db2.gz ISLCSUADQMEQJN-ZETCQYMHSA-N 0 0 266.326 1.976 50 0 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CC(C)(C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000004958941 326813526 /nfs/dbraw/zinc/81/35/26/326813526.db2.gz KJLQVBTZVQYZHC-UHFFFAOYSA-N 0 0 281.333 1.446 50 0 CDAARN COCCCNC(=O)[C@H](C)Oc1ccc(C)cc1 ZINC000033763909 326900874 /nfs/dbraw/zinc/90/08/74/326900874.db2.gz FRZMHBOBLCYKEX-LBPRGKRZSA-N 0 0 251.326 1.915 50 0 CDAARN CCN(Cc1cnn(CC)c1)c1nccnc1OC ZINC001772704530 1159439059 /nfs/dbraw/zinc/43/90/59/1159439059.db2.gz UKWDWVOXPCQSNS-UHFFFAOYSA-N 0 0 261.329 1.728 50 0 CDAARN Cc1ncsc1CN(CC(=O)N(C)C)CC(F)(F)F ZINC000091792077 482445607 /nfs/dbraw/zinc/44/56/07/482445607.db2.gz ZOFITQQBOCKLED-UHFFFAOYSA-N 0 0 295.330 1.904 50 0 CDAARN O=C(c1ccc(Cn2cncn2)cc1)N1CCCC1 ZINC000032885569 482512925 /nfs/dbraw/zinc/51/29/25/482512925.db2.gz HRDYJBQNRIAMBV-UHFFFAOYSA-N 0 0 256.309 1.562 50 0 CDAARN C[C@@H]1C[C@@H](C(=O)N2CC(N3CC[C@@H](O)C3)C2)CC(C)(C)C1 ZINC000585089874 482824207 /nfs/dbraw/zinc/82/42/07/482824207.db2.gz VPNIYRRIJAURCQ-UMVBOHGHSA-N 0 0 294.439 1.726 50 0 CDAARN 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CC(C)(C)N(Cc1ccsc1)C(=O)CS(C)(=O)=O ZINC000067982927 518703768 /nfs/dbraw/zinc/70/37/68/518703768.db2.gz VUJVXKAALFUMKA-UHFFFAOYSA-N 0 0 289.422 1.920 50 0 CDAARN Cc1noc(CCCC(=O)Nc2nc(C)ccc2O)n1 ZINC000096502609 534398540 /nfs/dbraw/zinc/39/85/40/534398540.db2.gz XPHJWDGURANTRG-UHFFFAOYSA-N 0 0 276.296 1.748 50 0 CDAARN CC(=O)NCCNC(=O)N[C@H](C)c1nc2ccccc2[nH]1 ZINC000054040497 519665996 /nfs/dbraw/zinc/66/59/96/519665996.db2.gz LNZTZIDDWIKAIA-SECBINFHSA-N 0 0 289.339 1.059 50 0 CDAARN O=C(NCCc1ccco1)N1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000426399210 534485299 /nfs/dbraw/zinc/48/52/99/534485299.db2.gz KQPANZFSXSENBW-NEPJUHHUSA-N 0 0 291.351 1.132 50 0 CDAARN Cc1cnc(C(=O)OCc2cc(C)nc(C)n2)cn1 ZINC000096502725 534533450 /nfs/dbraw/zinc/53/34/50/534533450.db2.gz IJAKEMFJZYMECH-UHFFFAOYSA-N 0 0 258.281 1.549 50 0 CDAARN CCOc1ccc(NC(=O)NC[C@@]2(O)CCOC2)cc1 ZINC000179372552 521092993 /nfs/dbraw/zinc/09/29/93/521092993.db2.gz VDMHPPYWAJZHEP-AWEZNQCLSA-N 0 0 280.324 1.358 50 0 CDAARN 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/nfs/dbraw/zinc/17/55/21/170175521.db2.gz LOFYFDPXORJJEE-HNNXBMFYSA-N 0 0 288.255 1.310 50 0 biogenic CDAARN NS(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000006333016 170192594 /nfs/dbraw/zinc/19/25/94/170192594.db2.gz AEMVHIBPHFUYND-UHFFFAOYSA-N 0 0 268.338 1.463 50 0 CDAARN CC(=O)Nc1ccc(NC(=O)C2=COCCO2)cc1 ZINC000006336581 170193816 /nfs/dbraw/zinc/19/38/16/170193816.db2.gz NPYDPSUEERKPLH-UHFFFAOYSA-N 0 0 262.265 1.472 50 0 CDAARN CCOC(=O)CCCCSc1nc2[nH]cnc2c(=O)[nH]1 ZINC000006380519 170196158 /nfs/dbraw/zinc/19/61/58/170196158.db2.gz LEZZZMBQTOCMOG-UHFFFAOYSA-N 0 0 296.352 1.884 50 0 CDAARN COc1cccc(/C=C\C(=O)O[C@@H]2CCOC2=O)c1OC ZINC000006378516 170196207 /nfs/dbraw/zinc/19/62/07/170196207.db2.gz GABHAZVCGCZOMV-ZHRWSRJISA-N 0 0 292.287 1.576 50 0 CDAARN O=C(COc1ccccc1)OCC(=O)c1ccc[nH]1 ZINC000006475652 170204418 /nfs/dbraw/zinc/20/44/18/170204418.db2.gz WWHRCSYWZFRLTR-UHFFFAOYSA-N 0 0 259.261 1.820 50 0 CDAARN CCNC(=O)COC(=O)CCC(=O)c1cccs1 ZINC000006497065 170207213 /nfs/dbraw/zinc/20/72/13/170207213.db2.gz CDDQAQPBRRMWHR-UHFFFAOYSA-N 0 0 269.322 1.390 50 0 CDAARN COC(=O)[C@H]1CSCN1C(=O)Nc1ccccc1 ZINC000006550233 170212101 /nfs/dbraw/zinc/21/21/01/170212101.db2.gz YELFVWFMSXBEEZ-SNVBAGLBSA-N 0 0 266.322 1.766 50 0 CDAARN O=C(Nc1ccccc1Cl)c1n[nH]c(-n2cnnc2)n1 ZINC000006668372 170224310 /nfs/dbraw/zinc/22/43/10/170224310.db2.gz PLIAVRYEEFDVAK-UHFFFAOYSA-N 0 0 289.686 1.291 50 0 CDAARN CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 ZINC000006697793 170227409 /nfs/dbraw/zinc/22/74/09/170227409.db2.gz GUIKEHIBMSKPEF-UHFFFAOYSA-N 0 0 282.365 1.139 50 0 CDAARN Cc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000006701506 170229582 /nfs/dbraw/zinc/22/95/82/170229582.db2.gz LTARFKWCDPODGH-GFCCVEGCSA-N 0 0 296.392 1.605 50 0 CDAARN O=C(Nc1cccc2ncccc21)C(=O)N1CCCC1 ZINC000006759266 170241407 /nfs/dbraw/zinc/24/14/07/170241407.db2.gz JHUNGLFJOXGQQF-UHFFFAOYSA-N 0 0 269.304 1.796 50 0 CDAARN Cn1c2c3c(sc2c(=O)n(C)c1=O)CC(C)(C)OC3 ZINC000006760570 170241499 /nfs/dbraw/zinc/24/14/99/170241499.db2.gz NBHFZIQEEZBGKG-UHFFFAOYSA-N 0 0 280.349 1.150 50 0 CDAARN Cc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1C ZINC000006773942 170242354 /nfs/dbraw/zinc/24/23/54/170242354.db2.gz GHZPXRMARLGUNE-UHFFFAOYSA-N 0 0 285.347 1.962 50 0 CDAARN CCNc1c2ccccc2oc(=O)c1NS(=O)(=O)CC ZINC000006784681 170243523 /nfs/dbraw/zinc/24/35/23/170243523.db2.gz OONSFIUNLRUZNN-UHFFFAOYSA-N 0 0 296.348 1.986 50 0 CDAARN CN1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006785050 170243581 /nfs/dbraw/zinc/24/35/81/170243581.db2.gz ULWSHCAZJYPPII-UHFFFAOYSA-N 0 0 254.355 1.013 50 0 CDAARN CCCCn1nnnc1CN1C(=O)c2ccccc2C1=O ZINC000006841071 170248217 /nfs/dbraw/zinc/24/82/17/170248217.db2.gz KNYOSVOTIMQWDM-UHFFFAOYSA-N 0 0 285.307 1.269 50 0 CDAARN C[C@@H](Sc1ncccn1)C(=O)NCc1ccco1 ZINC000006912557 170254877 /nfs/dbraw/zinc/25/48/77/170254877.db2.gz ISMATGHODJTOHL-SECBINFHSA-N 0 0 263.322 1.867 50 0 CDAARN CC(C)CNC(=O)COc1ccc(-c2nnco2)cc1 ZINC000006949280 170258608 /nfs/dbraw/zinc/25/86/08/170258608.db2.gz GIZDTKQTYNRGAG-UHFFFAOYSA-N 0 0 275.308 1.888 50 0 CDAARN CCn1c2ccc(S(N)(=O)=O)cc2nc1SC ZINC000006977170 170260135 /nfs/dbraw/zinc/26/01/35/170260135.db2.gz MMFOBECFMCIUBP-UHFFFAOYSA-N 0 0 271.367 1.426 50 0 CDAARN CC(=O)N[C@H](C(=O)N[C@@H]1CCOc2ccccc21)C(C)C ZINC000007217772 170272527 /nfs/dbraw/zinc/27/25/27/170272527.db2.gz WINZZHHULGQHMH-HIFRSBDPSA-N 0 0 290.363 1.787 50 0 CDAARN CCCn1nnnc1NCc1ccc(OC)c(OC)c1 ZINC000007263360 170274443 /nfs/dbraw/zinc/27/44/43/170274443.db2.gz KCAMCADFJSXAJV-UHFFFAOYSA-N 0 0 277.328 1.712 50 0 CDAARN C[C@H](OC(=O)c1cccnc1SC(F)F)C(N)=O ZINC000007284489 170276477 /nfs/dbraw/zinc/27/64/77/170276477.db2.gz PAWYLQITZPWXCH-YFKPBYRVSA-N 0 0 276.264 1.427 50 0 CDAARN CNC(=O)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000007530655 170289848 /nfs/dbraw/zinc/28/98/48/170289848.db2.gz ZMDYVNLMLDFQRJ-GFCCVEGCSA-N 0 0 293.392 1.512 50 0 CDAARN C[C@@H](Sc1nc[nH]n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000007603661 170292618 /nfs/dbraw/zinc/29/26/18/170292618.db2.gz JLGAVEOMWVMLLS-SSDOTTSWSA-N 0 0 291.336 1.023 50 0 CDAARN O=C(CN1CSCC1=O)Nc1ccc(F)cc1 ZINC000007638871 170295129 /nfs/dbraw/zinc/29/51/29/170295129.db2.gz IXIKTQKEWCKVNY-UHFFFAOYSA-N 0 0 254.286 1.297 50 0 CDAARN O=C(Nc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000007750219 170300473 /nfs/dbraw/zinc/30/04/73/170300473.db2.gz VYEQYXQUZDSXRE-QMMMGPOBSA-N 0 0 273.741 1.713 50 0 CDAARN C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 ZINC000007751261 170300585 /nfs/dbraw/zinc/30/05/85/170300585.db2.gz FLZUIWMRXDVLSK-CMPLNLGQSA-N 0 0 267.350 1.299 50 0 CDAARN CCc1ccc(CN(C)CC(=O)N2CCNC2=O)cc1 ZINC000007790623 170303402 /nfs/dbraw/zinc/30/34/02/170303402.db2.gz RQCAWAFTSHLHFF-UHFFFAOYSA-N 0 0 275.352 1.233 50 0 CDAARN O=C(CSc1nncs1)NC(=O)Nc1ccccc1 ZINC000007815967 170304166 /nfs/dbraw/zinc/30/41/66/170304166.db2.gz HTEOSFIMDLQAJN-UHFFFAOYSA-N 0 0 294.361 1.979 50 0 CDAARN O=C(Cc1noc2ccccc21)O[C@@H]1CCOC1=O ZINC000007862437 170305686 /nfs/dbraw/zinc/30/56/86/170305686.db2.gz RLXJNSMZDLPDML-LLVKDONJSA-N 0 0 261.233 1.229 50 0 CDAARN O=C(CN1CSCC1=O)NCc1ccccc1Cl ZINC000008076821 170317766 /nfs/dbraw/zinc/31/77/66/170317766.db2.gz VVMUQNNEMAMFDP-UHFFFAOYSA-N 0 0 284.768 1.489 50 0 CDAARN Cn1ccc(NC(=O)COc2ccc3c(c2)CCC3)n1 ZINC000008118026 170319539 /nfs/dbraw/zinc/31/95/39/170319539.db2.gz FRTDGOJDYMJJCM-UHFFFAOYSA-N 0 0 271.320 1.926 50 0 CDAARN CNC(=O)CNc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000008119514 170319614 /nfs/dbraw/zinc/31/96/14/170319614.db2.gz GIFFTYUZZXJMIT-MRVPVSSYSA-N 0 0 290.392 1.974 50 0 CDAARN CCc1ccccc1NC(=O)CN1CCC[C@@H](C(N)=O)C1 ZINC000008171868 170322757 /nfs/dbraw/zinc/32/27/57/170322757.db2.gz OZGVZFHXUULTBZ-CYBMUJFWSA-N 0 0 289.379 1.385 50 0 CDAARN CC(C)CCNC(=O)CSc1n[nH]c(=O)n1C1CC1 ZINC000008212931 170324698 /nfs/dbraw/zinc/32/46/98/170324698.db2.gz AEXGUUNZNCSZIK-UHFFFAOYSA-N 0 0 284.385 1.161 50 0 CDAARN CCNc1nnc(S[C@@H](C)C(=O)N(C)C)s1 ZINC000008250798 170327180 /nfs/dbraw/zinc/32/71/80/170327180.db2.gz JZOLIEAJWCOUAO-LURJTMIESA-N 0 0 260.388 1.539 50 0 CDAARN CCCCN1C[C@@H](C(=O)Nc2ncccn2)CC1=O ZINC000008269765 170327754 /nfs/dbraw/zinc/32/77/54/170327754.db2.gz HJIATVFELXAEDO-JTQLQIEISA-N 0 0 262.313 1.064 50 0 CDAARN Cc1c(Cl)cccc1NC(=O)NN1CCN(C)CC1 ZINC000008278533 170328649 /nfs/dbraw/zinc/32/86/49/170328649.db2.gz ZIXCSXWHDZZOOO-UHFFFAOYSA-N 0 0 282.775 1.932 50 0 CDAARN Cc1cc(=O)[nH]c(SCC(=O)N2CCCCCC2)n1 ZINC000008667220 170344574 /nfs/dbraw/zinc/34/45/74/170344574.db2.gz WLUMQNVORISMCA-UHFFFAOYSA-N 0 0 281.381 1.573 50 0 CDAARN CCN1CCN(C(=O)c2cc(N)ccc2Cl)CC1 ZINC000008732461 170351439 /nfs/dbraw/zinc/35/14/39/170351439.db2.gz QJXCHCAJYUWAEY-UHFFFAOYSA-N 0 0 267.760 1.700 50 0 CDAARN Cc1nnc(CSc2nnc(C3CC3)n2C)o1 ZINC000008850018 170357233 /nfs/dbraw/zinc/35/72/33/170357233.db2.gz SHQQNWFSXOQTFO-UHFFFAOYSA-N 0 0 251.315 1.676 50 0 CDAARN O=c1c2ccccc2nnn1Cn1nnc2ccccc21 ZINC000009025576 170361824 /nfs/dbraw/zinc/36/18/24/170361824.db2.gz OXNJLXVPDNWUIK-UHFFFAOYSA-N 0 0 278.275 1.042 50 0 CDAARN O=C1C[C@@H](Nc2ccc3c(c2)CCC3)C(=O)N1C1CC1 ZINC000009118067 170364351 /nfs/dbraw/zinc/36/43/51/170364351.db2.gz IYSVPHVZVLUTTB-CQSZACIVSA-N 0 0 270.332 1.877 50 0 CDAARN CNC(=O)CNC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000009256876 170369382 /nfs/dbraw/zinc/36/93/82/170369382.db2.gz UCCMUPLMGSRBBY-UHFFFAOYSA-N 0 0 291.326 1.370 50 0 CDAARN CC(C)[C@H](C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000009337880 170372759 /nfs/dbraw/zinc/37/27/59/170372759.db2.gz HQXOEJQXJJFSOY-QMMMGPOBSA-N 0 0 283.353 1.179 50 0 CDAARN COc1ccc(C)cc1N1C[C@@H](C(=O)N(C)C)CC1=O ZINC000009342151 170373512 /nfs/dbraw/zinc/37/35/12/170373512.db2.gz IEAZSDMLLABNDL-NSHDSACASA-N 0 0 276.336 1.445 50 0 CDAARN Cc1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1 ZINC000009379168 170375579 /nfs/dbraw/zinc/37/55/79/170375579.db2.gz NYSZRZUMLNIMPM-SNVBAGLBSA-N 0 0 289.335 1.795 50 0 CDAARN CCCNC(=O)[C@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC000009479701 170378330 /nfs/dbraw/zinc/37/83/30/170378330.db2.gz BKKNPZBDLUXMDK-JTQLQIEISA-N 0 0 266.316 1.779 50 0 CDAARN CC(C)N(C)C(=O)Cn1cnc2ccc(Cl)cc2c1=O ZINC000009499334 170379293 /nfs/dbraw/zinc/37/92/93/170379293.db2.gz RWGFZXAIMRYJTL-UHFFFAOYSA-N 0 0 293.754 1.917 50 0 CDAARN COc1cccc(-c2nnn(CCc3ccncc3)n2)c1 ZINC000009512979 170379471 /nfs/dbraw/zinc/37/94/71/170379471.db2.gz ICUBEBFPZHWKJU-UHFFFAOYSA-N 0 0 281.319 1.986 50 0 CDAARN O=C(/C=C/c1ccc(F)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000009513461 170379824 /nfs/dbraw/zinc/37/98/24/170379824.db2.gz IMUOPHFQTOYIIS-UXONFWTHSA-N 0 0 283.324 1.142 50 0 CDAARN CC(C)C(=O)NCc1nnnn1-c1ccc(Cl)cc1 ZINC000009570688 170381288 /nfs/dbraw/zinc/38/12/88/170381288.db2.gz QMUFQBNZJGISOL-UHFFFAOYSA-N 0 0 279.731 1.588 50 0 CDAARN COC(=O)c1ccccc1NC(=O)CN1CCSC1=O ZINC000009645149 170383511 /nfs/dbraw/zinc/38/35/11/170383511.db2.gz CBYKNXDVWRGICT-UHFFFAOYSA-N 0 0 294.332 1.581 50 0 CDAARN C[C@@H](Sc1ccc2c(c1)CCC2)C(=O)NC(N)=O ZINC000009690963 170384163 /nfs/dbraw/zinc/38/41/63/170384163.db2.gz DXENSEQTCUJBAJ-MRVPVSSYSA-N 0 0 264.350 1.851 50 0 CDAARN CC(C)CCNC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000009885523 170388938 /nfs/dbraw/zinc/38/89/38/170388938.db2.gz BLQHCFHPNONVNU-UHFFFAOYSA-N 0 0 259.309 1.699 50 0 CDAARN O=C(NCCNC(=O)c1cccnc1)c1cccs1 ZINC000010037909 170396417 /nfs/dbraw/zinc/39/64/17/170396417.db2.gz BDJLEIHZRZLVSF-UHFFFAOYSA-N 0 0 275.333 1.303 50 0 CDAARN O=C(NCc1cccs1)C(=O)Nc1ccncc1 ZINC000010327011 170404298 /nfs/dbraw/zinc/40/42/98/170404298.db2.gz WANASMMGQPPYJC-UHFFFAOYSA-N 0 0 261.306 1.398 50 0 CDAARN CCC(=O)NCc1nnnn1-c1ccc(C)c(C)c1 ZINC000010591408 170409716 /nfs/dbraw/zinc/40/97/16/170409716.db2.gz XZPPAAJUYLLITN-UHFFFAOYSA-N 0 0 259.313 1.305 50 0 CDAARN COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000011005286 170413900 /nfs/dbraw/zinc/41/39/00/170413900.db2.gz TWZOTVVVBUOUCL-UHFFFAOYSA-N 0 0 286.287 1.749 50 0 CDAARN NC(=O)NC(=O)CNc1ccccc1Cc1ccccc1 ZINC000011623434 170428027 /nfs/dbraw/zinc/42/80/27/170428027.db2.gz ZUUKONQWAKHWDD-UHFFFAOYSA-N 0 0 283.331 1.884 50 0 CDAARN Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1ccccc1 ZINC000011690467 170432836 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/nfs/dbraw/zinc/31/31/71/372313171.db2.gz YRDDGWCOJFGEGU-JTQLQIEISA-N 0 0 259.305 1.559 50 0 CDAARN CCS(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000049442875 372345372 /nfs/dbraw/zinc/34/53/72/372345372.db2.gz JHNSKKUCHRCECS-UHFFFAOYSA-N 0 0 292.401 1.325 50 0 CDAARN Cc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1 ZINC000079387533 372358869 /nfs/dbraw/zinc/35/88/69/372358869.db2.gz CYGSZUCPQDMCKC-LLVKDONJSA-N 0 0 278.356 1.888 50 0 CDAARN CSCC[C@H](O)C(=O)NCCc1nc2ccccc2o1 ZINC000299757831 372745151 /nfs/dbraw/zinc/74/51/51/372745151.db2.gz CEKIWLZTCNCKPJ-NSHDSACASA-N 0 0 294.376 1.601 50 0 CDAARN Cc1nnc(CNC(=O)c2c3c(nn2C)CCCC3)s1 ZINC000299758832 372747055 /nfs/dbraw/zinc/74/70/55/372747055.db2.gz QKFDBWIYBRLILS-UHFFFAOYSA-N 0 0 291.380 1.389 50 0 CDAARN Cc1cc(C)n(C2CN(Cc3nnc(C)s3)C2)n1 ZINC000299782319 372759322 /nfs/dbraw/zinc/75/93/22/372759322.db2.gz VLHJIEPMHALCRM-UHFFFAOYSA-N 0 0 263.370 1.717 50 0 CDAARN O=C(CCCn1cncn1)N[C@H]1COC2(C1)CCCCC2 ZINC000299795861 372769382 /nfs/dbraw/zinc/76/93/82/372769382.db2.gz MGSMYTQCUPJAMZ-CYBMUJFWSA-N 0 0 292.383 1.666 50 0 CDAARN CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)CCc1ccoc1 ZINC000240244153 189902324 /nfs/dbraw/zinc/90/23/24/189902324.db2.gz DKIFQKDPXZBJLL-CHWSQXEVSA-N 0 0 283.368 1.486 50 0 CDAARN CN(CC(N)=O)Cc1cc(C2CCCCC2)no1 ZINC000244575025 189907037 /nfs/dbraw/zinc/90/70/37/189907037.db2.gz CVKGJZJAQXQZJW-UHFFFAOYSA-N 0 0 251.330 1.639 50 0 CDAARN COCCCS[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000187920582 373036866 /nfs/dbraw/zinc/03/68/66/373036866.db2.gz WLNXVAKVWOLSCP-LLVKDONJSA-N 0 0 283.397 1.604 50 0 CDAARN CN(CCOc1ccccc1F)C(=O)[C@H]1CSCN1 ZINC000037802431 373353303 /nfs/dbraw/zinc/35/33/03/373353303.db2.gz YRUIVXWGWPKBAG-LLVKDONJSA-N 0 0 284.356 1.325 50 0 CDAARN CSc1nc2ccccc2c(=O)n1OC(C)C ZINC000002238657 373470533 /nfs/dbraw/zinc/47/05/33/373470533.db2.gz DCAVYCYXMPIYTI-UHFFFAOYSA-N 0 0 250.323 1.955 50 0 CDAARN COc1cc(=O)n2c(c1C(=O)N1CCCC[C@H]1C)CCC2 ZINC000253399735 373688255 /nfs/dbraw/zinc/68/82/55/373688255.db2.gz JVTWSHHUEGPNMI-LLVKDONJSA-N 0 0 290.363 1.818 50 0 CDAARN O=C(CC1CC1)N[C@@H](Cn1nccn1)c1ccccc1 ZINC000253405490 373695643 /nfs/dbraw/zinc/69/56/43/373695643.db2.gz SNEAUUCJEZXCJU-AWEZNQCLSA-N 0 0 270.336 1.936 50 0 CDAARN CC(C)c1ccc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)cc1 ZINC000253412819 373722149 /nfs/dbraw/zinc/72/21/49/373722149.db2.gz SDFQVVILMKTSKZ-JKSUJKDBSA-N 0 0 290.407 1.805 50 0 CDAARN CCn1ncc(CN2CCC(F)(F)[C@@H](CO)C2)c1C ZINC000253413842 373723485 /nfs/dbraw/zinc/72/34/85/373723485.db2.gz VUWSUOXOCLDODC-GFCCVEGCSA-N 0 0 273.327 1.661 50 0 CDAARN COCCOc1ccc(CNS(=O)(=O)C2(C)CC2)cc1 ZINC000253419046 373728046 /nfs/dbraw/zinc/72/80/46/373728046.db2.gz HKCWAFYKXCKPIV-UHFFFAOYSA-N 0 0 299.392 1.684 50 0 CDAARN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1N1CCOCC1 ZINC000253421564 373729995 /nfs/dbraw/zinc/72/99/95/373729995.db2.gz YAMUDUHUQJWTNX-MNOVXSKESA-N 0 0 290.354 1.457 50 0 CDAARN COc1ccnc(N2CCC(Cc3nccn3C)CC2)n1 ZINC000105793611 373746198 /nfs/dbraw/zinc/74/61/98/373746198.db2.gz LAMYXJVBECEFET-UHFFFAOYSA-N 0 0 287.367 1.678 50 0 CDAARN CCCS(=O)(=O)NCCn1cc(-c2ccccc2)cn1 ZINC000253473016 373805835 /nfs/dbraw/zinc/80/58/35/373805835.db2.gz QZJQUEYDHJNNAG-UHFFFAOYSA-N 0 0 293.392 1.880 50 0 CDAARN CC(=O)NC1CCN(c2ccncc2Cl)CC1 ZINC000253473476 373807886 /nfs/dbraw/zinc/80/78/86/373807886.db2.gz VHCOMTXKVOQFIA-UHFFFAOYSA-N 0 0 253.733 1.840 50 0 CDAARN Cn1c(=O)[nH]c(=O)c2nc(C=Cc3ccccc3)c(=O)[nH]c21 ZINC000253536297 373892152 /nfs/dbraw/zinc/89/21/52/373892152.db2.gz RLYPSMSVNQEEGY-BQYQJAHWSA-N 0 0 296.286 1.305 50 0 CDAARN CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC(=O)N1 ZINC000012984584 373914147 /nfs/dbraw/zinc/91/41/47/373914147.db2.gz TWLXPRMEAYEBMO-NSHDSACASA-N 0 0 266.728 1.577 50 0 CDAARN Cc1noc(C2CN(C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000049482361 374002284 /nfs/dbraw/zinc/00/22/84/374002284.db2.gz PYLAKWKMHHEYRM-UHFFFAOYSA-N 0 0 287.275 1.346 50 0 CDAARN COc1ccc(CNC(=O)NCCn2ccnc2C)cc1 ZINC000049029926 373981527 /nfs/dbraw/zinc/98/15/27/373981527.db2.gz YQOBHXBYAOPYKV-UHFFFAOYSA-N 0 0 288.351 1.700 50 0 CDAARN Cn1ccc(C(=O)Nc2nnc(-c3ccsc3)o2)n1 ZINC000049029174 373981643 /nfs/dbraw/zinc/98/16/43/373981643.db2.gz MEAOZXKGRNIODD-UHFFFAOYSA-N 0 0 275.293 1.784 50 0 CDAARN CS(=O)(=O)N1CCCN(C/C=C/c2ccccc2)CC1 ZINC000298741103 374098794 /nfs/dbraw/zinc/09/87/94/374098794.db2.gz YBZAAWZJASPMCD-WEVVVXLNSA-N 0 0 294.420 1.667 50 0 CDAARN O=C(c1c[nH]c2ccccc12)N1CC(N2C(=O)CCC2=O)C1 ZINC000206953505 374182895 /nfs/dbraw/zinc/18/28/95/374182895.db2.gz REJHLOPZPOWIEE-UHFFFAOYSA-N 0 0 297.314 1.141 50 0 CDAARN CN(C)c1nccc(CNC(=O)Cc2ccccc2)n1 ZINC000206728297 374177552 /nfs/dbraw/zinc/17/75/52/374177552.db2.gz VRYUUOZPPKNRLB-UHFFFAOYSA-N 0 0 270.336 1.402 50 0 CDAARN CN(C)c1nccc(CNC(=O)C2CCCCC2)n1 ZINC000206727702 374178233 /nfs/dbraw/zinc/17/82/33/374178233.db2.gz MMIQYYBODDEYRX-UHFFFAOYSA-N 0 0 262.357 1.739 50 0 CDAARN COC(=O)c1cn(Cc2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000253412189 374265229 /nfs/dbraw/zinc/26/52/29/374265229.db2.gz QDTQBXZIUPSEIM-UHFFFAOYSA-N 0 0 283.287 1.511 50 0 CDAARN C[C@@H](NS(=O)(=O)c1cccc(F)c1)[C@H]1CCCO1 ZINC000028326679 374463852 /nfs/dbraw/zinc/46/38/52/374463852.db2.gz LUEYHLONMUVGGT-BXKDBHETSA-N 0 0 273.329 1.672 50 0 CDAARN C[C@]1(CC(N)=O)NC(=S)N(c2ccccc2)N1 ZINC000334161079 206122462 /nfs/dbraw/zinc/12/24/62/206122462.db2.gz SKRRHBFMDKQBIS-NSHDSACASA-N 0 0 250.327 1.527 50 0 CDAARN COC(=O)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000000488762 284464684 /nfs/dbraw/zinc/46/46/84/284464684.db2.gz KDUNRPYUBJOQOJ-XJIUQZFPSA-N 0 0 299.326 1.142 50 0 biogenic CDAARN CCCc1ccc(OC[C@@H](O)CN2CCOCC2)cc1 ZINC000019338649 374721476 /nfs/dbraw/zinc/72/14/76/374721476.db2.gz YDDGZHHBYJLSQL-HNNXBMFYSA-N 0 0 279.380 1.711 50 0 CDAARN NS(=O)(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000093926419 374795795 /nfs/dbraw/zinc/79/57/95/374795795.db2.gz PXKCKAUOEXPKIE-SNVBAGLBSA-N 0 0 294.298 1.950 50 0 CDAARN Cn1ccsc1=NC(=O)CCNC(=O)C1CCCC1 ZINC000254413890 374799271 /nfs/dbraw/zinc/79/92/71/374799271.db2.gz FSCYAJFFLSBEEM-UHFFFAOYSA-N 0 0 281.381 1.210 50 0 CDAARN COc1cccc(OCCOn2nnc3cccnc32)c1 ZINC000252498017 189978799 /nfs/dbraw/zinc/97/87/99/189978799.db2.gz QTZURWIWWDQFBT-UHFFFAOYSA-N 0 0 286.291 1.343 50 0 CDAARN CCC[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccccn1 ZINC000095396375 374902042 /nfs/dbraw/zinc/90/20/42/374902042.db2.gz VRTFNKZBUYKQMN-PWSUYJOCSA-N 0 0 284.381 1.472 50 0 CDAARN CC(=O)NC1(c2noc(-c3cnccn3)n2)CCCCC1 ZINC000095394439 374899177 /nfs/dbraw/zinc/89/91/77/374899177.db2.gz HUHCEVXUPHXJBS-UHFFFAOYSA-N 0 0 287.323 1.822 50 0 CDAARN COC(=O)[C@@H](C)CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2 ZINC000095393024 374899990 /nfs/dbraw/zinc/89/99/90/374899990.db2.gz NBOITSKRYVBXRO-QMMMGPOBSA-N 0 0 292.335 1.381 50 0 CDAARN COC(=O)CN(C(=O)c1oc(C)nc1C)C1CCCC1 ZINC000095417353 374918691 /nfs/dbraw/zinc/91/86/91/374918691.db2.gz NWWLZSHGDIZBQZ-UHFFFAOYSA-N 0 0 280.324 1.849 50 0 CDAARN COC(=O)CCNC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000095479376 374969509 /nfs/dbraw/zinc/96/95/09/374969509.db2.gz ZXOXBZIHERFMBE-UHFFFAOYSA-N 0 0 293.319 1.070 50 0 CDAARN Cc1ccc(O)c(C(=O)N(C)CCc2cnccn2)c1 ZINC000095457803 374956051 /nfs/dbraw/zinc/95/60/51/374956051.db2.gz CHLSCDMWJBJTHG-UHFFFAOYSA-N 0 0 271.320 1.805 50 0 CDAARN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1nncn1CC ZINC000095458650 374956377 /nfs/dbraw/zinc/95/63/77/374956377.db2.gz RLYNLEJWXPIPLL-GHMZBOCLSA-N 0 0 265.361 1.771 50 0 CDAARN CCCCN(CCCC)S(=O)(=O)N1CC[C@H](CO)C1 ZINC000095461876 374957350 /nfs/dbraw/zinc/95/73/50/374957350.db2.gz VROWUUAHRMMJHD-ZDUSSCGKSA-N 0 0 292.445 1.448 50 0 CDAARN Cn1cc(C(=O)OC[C@H]2Cc3cc(F)ccc3O2)cn1 ZINC000095399985 374906466 /nfs/dbraw/zinc/90/64/66/374906466.db2.gz DDGLPMMEWWEXFS-GFCCVEGCSA-N 0 0 276.267 1.720 50 0 CDAARN CCNC(=O)NCCOC(=O)c1cccc2c1ccn2C ZINC000095400345 374906763 /nfs/dbraw/zinc/90/67/63/374906763.db2.gz XIXQEMVBWYGKPX-UHFFFAOYSA-N 0 0 289.335 1.654 50 0 CDAARN C[C@@]1(c2cccnc2)NC(=O)N(CCC(F)(F)F)C1=O ZINC000095409627 374913041 /nfs/dbraw/zinc/91/30/41/374913041.db2.gz PQRMJDMQQOISOQ-NSHDSACASA-N 0 0 287.241 1.801 50 0 CDAARN COc1cccc2c1OC[C@@H](Cc1cc(C(N)=O)ccn1)C2 ZINC000095499107 374974340 /nfs/dbraw/zinc/97/43/40/374974340.db2.gz JLGFUYODAGQPMS-LLVKDONJSA-N 0 0 298.342 1.983 50 0 CDAARN CNC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000001774475 375039668 /nfs/dbraw/zinc/03/96/68/375039668.db2.gz KBZMUYUHSGXIQB-UHFFFAOYSA-N 0 0 274.320 1.589 50 0 CDAARN O=C(NCc1nccc(N2CCCCC2)n1)c1ccccn1 ZINC000096120849 375057641 /nfs/dbraw/zinc/05/76/41/375057641.db2.gz PMNPBBXDYYOPRU-UHFFFAOYSA-N 0 0 297.362 1.792 50 0 CDAARN C[C@H]1OCCN(c2ccnc(-c3ccccc3)n2)[C@@H]1C(N)=O ZINC000296252157 375067437 /nfs/dbraw/zinc/06/74/37/375067437.db2.gz IYGFUQRUNAXDSX-RISCZKNCSA-N 0 0 298.346 1.223 50 0 CDAARN CSCCCCNC(=O)c1c(C)cc[nH]c1=O ZINC000097050611 375141405 /nfs/dbraw/zinc/14/14/05/375141405.db2.gz FZJKQXAJWYHGIR-UHFFFAOYSA-N 0 0 254.355 1.556 50 0 CDAARN C[C@H](NC(=O)c1cccc(OCC(F)F)n1)c1ncon1 ZINC000097047460 375141416 /nfs/dbraw/zinc/14/14/16/375141416.db2.gz IKNANJFWYCRCKT-ZETCQYMHSA-N 0 0 298.249 1.600 50 0 CDAARN Cc1cc(C)n(CCCNC(=O)CN2CCCCC2=O)n1 ZINC000097262561 375157737 /nfs/dbraw/zinc/15/77/37/375157737.db2.gz PZRALGHUAXUQKU-UHFFFAOYSA-N 0 0 292.383 1.019 50 0 CDAARN CC(=O)NCC(=O)NCc1cccnc1-c1ccsc1 ZINC000225647424 375178186 /nfs/dbraw/zinc/17/81/86/375178186.db2.gz WTYQEPDYLBICQS-UHFFFAOYSA-N 0 0 289.360 1.562 50 0 CDAARN Cc1onc(C(N)=O)c1C(=O)Nc1cccc(F)c1 ZINC000002567146 375242011 /nfs/dbraw/zinc/24/20/11/375242011.db2.gz OBBXZZOTPAZMMO-UHFFFAOYSA-N 0 0 263.228 1.473 50 0 CDAARN Cc1ccc(NC(=O)CN2CCNC(=O)C2)cc1Cl ZINC000002650550 375287698 /nfs/dbraw/zinc/28/76/98/375287698.db2.gz GNCLNFHTUNHWIF-UHFFFAOYSA-N 0 0 281.743 1.019 50 0 CDAARN O=C(Nc1ccncc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000028668171 375295803 /nfs/dbraw/zinc/29/58/03/375295803.db2.gz CISSSJGCIPGUFD-ZDUSSCGKSA-N 0 0 268.272 1.802 50 0 CDAARN O=C(CCn1cc(Br)cn1)NCc1ccco1 ZINC000002778363 375323472 /nfs/dbraw/zinc/32/34/72/375323472.db2.gz YPYHOFNRDPMJPL-UHFFFAOYSA-N 0 0 298.140 1.945 50 0 CDAARN Cc1oncc1C(=O)N1CCC(n2nccn2)CC1 ZINC000253472499 189993291 /nfs/dbraw/zinc/99/32/91/189993291.db2.gz MTNFAPCWJGJPSN-UHFFFAOYSA-N 0 0 261.285 1.052 50 0 CDAARN COC[C@H]1CCCN(CC(=O)Nc2nnc(C)s2)C1 ZINC000056908358 375386026 /nfs/dbraw/zinc/38/60/26/375386026.db2.gz FXYINSMGYKRJMT-JTQLQIEISA-N 0 0 284.385 1.143 50 0 CDAARN COC(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000010290883 375463056 /nfs/dbraw/zinc/46/30/56/375463056.db2.gz FLUZTKHBRYEAOW-UHFFFAOYSA-N 0 0 298.298 1.824 50 0 CDAARN CC(C)C(=O)/N=c1/[n-]nc(CC[NH+]2CCCCC2)s1 ZINC000001272004 375534122 /nfs/dbraw/zinc/53/41/22/375534122.db2.gz GNQHMLCDXYKWDX-UHFFFAOYSA-N 0 0 282.413 1.583 50 0 CDAARN O=C(COC(=O)c1ccoc1)Nc1nccs1 ZINC000057472203 375508449 /nfs/dbraw/zinc/50/84/49/375508449.db2.gz PIWROUQZXARKHE-UHFFFAOYSA-N 0 0 252.251 1.532 50 0 CDAARN Cc1c(Cl)cccc1NC(=O)CSc1nnnn1C ZINC000003275288 375619158 /nfs/dbraw/zinc/61/91/58/375619158.db2.gz JJGUTCUANPLCLL-UHFFFAOYSA-N 0 0 297.771 1.903 50 0 CDAARN O=C(COC(=O)c1ccc2ccccc2n1)N1CCCC1=O ZINC000003335818 375652356 /nfs/dbraw/zinc/65/23/56/375652356.db2.gz ZPDZUYGAEGHEFD-UHFFFAOYSA-N 0 0 298.298 1.541 50 0 CDAARN CCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 ZINC000003317206 375642663 /nfs/dbraw/zinc/64/26/63/375642663.db2.gz BTQTZDVCGDKMOU-UHFFFAOYSA-N 0 0 295.310 1.858 50 0 CDAARN CCCCNC(=O)COC(=O)c1cc(C)oc1C ZINC000003320078 375644178 /nfs/dbraw/zinc/64/41/78/375644178.db2.gz POPXMCNSAHQYLU-UHFFFAOYSA-N 0 0 253.298 1.970 50 0 CDAARN CCNC(=O)COC(=O)COc1ccc(Cl)cc1C ZINC000003320067 375644380 /nfs/dbraw/zinc/64/43/80/375644380.db2.gz ZZCADUONAKAZOW-UHFFFAOYSA-N 0 0 285.727 1.707 50 0 CDAARN COc1ccc(C(C)=O)c(OCC(=O)NC2CC2)c1 ZINC000003389014 375676146 /nfs/dbraw/zinc/67/61/46/375676146.db2.gz DUJCSGOUSFEFID-UHFFFAOYSA-N 0 0 263.293 1.555 50 0 CDAARN Cc1cc(NC(=O)CSc2nncs2)no1 ZINC000003389496 375676330 /nfs/dbraw/zinc/67/63/30/375676330.db2.gz 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C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000012983183 288034996 /nfs/dbraw/zinc/03/49/96/288034996.db2.gz OFUKNRMKFOYOKL-PHIMTYICSA-N 0 0 297.376 1.340 50 0 CDAARN Cc1cc(C)nc(N2CCN(c3nccnc3C)CC2)n1 ZINC000281614936 278682120 /nfs/dbraw/zinc/68/21/20/278682120.db2.gz JMTDAIPOLPBWFP-UHFFFAOYSA-N 0 0 284.367 1.518 50 0 CDAARN CC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 ZINC000013010561 279135994 /nfs/dbraw/zinc/13/59/94/279135994.db2.gz PFMQMRFWJUUXAL-UHFFFAOYSA-N 0 0 298.346 1.177 50 0 CDAARN Cc1nn2c(nc1=O)s/c(=C/C=C/c1ccccc1)c2=O ZINC000016729803 279217887 /nfs/dbraw/zinc/21/78/87/279217887.db2.gz WAFFGSBUPRZHQJ-LRELXJSQSA-N 0 0 297.339 1.032 50 0 CDAARN CCN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000009423866 279254266 /nfs/dbraw/zinc/25/42/66/279254266.db2.gz RKPBBOOYFDHFRK-VXGBXAGGSA-N 0 0 296.417 1.279 50 0 CDAARN CCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2C ZINC000057531489 279256162 /nfs/dbraw/zinc/25/61/62/279256162.db2.gz CBAPAXPOXZQALP-CYBMUJFWSA-N 0 0 289.310 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276.340 1.199 50 0 CDAARN O=c1cc(Br)ccn1-c1ccncc1 ZINC000255187336 280393454 /nfs/dbraw/zinc/39/34/54/280393454.db2.gz CVBHXEQFDMLIDG-UHFFFAOYSA-N 0 0 251.083 1.995 50 0 CDAARN Oc1ccc(-c2nc3c4c(ncn3n2)CCC4)cc1 ZINC000012374756 280451495 /nfs/dbraw/zinc/45/14/95/280451495.db2.gz JXUFJTGYCFQWBJ-UHFFFAOYSA-N 0 0 252.277 1.986 50 0 CDAARN Cc1ccc(S(=O)(=O)N2CC[C@H](c3nnc[nH]3)C2)cc1 ZINC000520800589 281052735 /nfs/dbraw/zinc/05/27/35/281052735.db2.gz YYJCZOHSEKWBCS-NSHDSACASA-N 0 0 292.364 1.291 50 0 CDAARN Cc1ccc2ncccc2c1C[N@H+]1CCN(C)[C@H](C(=O)[O-])C1 ZINC000067605496 281171512 /nfs/dbraw/zinc/17/15/12/281171512.db2.gz LDLKYELMDLPSFF-INIZCTEOSA-N 0 0 299.374 1.744 50 0 CDAARN CC[C@H]1COCCN1C(=O)C1=C(C)N2CCN=C2S1 ZINC000223576023 281200772 /nfs/dbraw/zinc/20/07/72/281200772.db2.gz QLEPGMLZAZOABJ-JTQLQIEISA-N 0 0 281.381 1.274 50 0 CDAARN CC1(C)C[C@H](C2N3CC4(C)CN2CC(C)(C3)C4=O)CCO1 ZINC000019323094 281334182 /nfs/dbraw/zinc/33/41/82/281334182.db2.gz FBXNQYLSNIRUQD-LXKUUNLTSA-N 0 0 292.423 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1.505 50 0 CDAARN Cc1ncsc1C(=O)N1CCOc2ncccc21 ZINC000089565456 293673768 /nfs/dbraw/zinc/67/37/68/293673768.db2.gz NRCNFOIUULVQFG-UHFFFAOYSA-N 0 0 261.306 1.886 50 0 CDAARN Cc1nn(C)c(C)c1OCc1ncnn1C(C)(C)C ZINC000282368409 293721040 /nfs/dbraw/zinc/72/10/40/293721040.db2.gz YBEAIGDDERSBDF-UHFFFAOYSA-N 0 0 263.345 1.962 50 0 CDAARN Cn1nnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000000826594 294641253 /nfs/dbraw/zinc/64/12/53/294641253.db2.gz UXJQPZPZRBYXFK-UHFFFAOYSA-N 0 0 279.097 1.572 50 0 CDAARN C[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000408296047 297290288 /nfs/dbraw/zinc/29/02/88/297290288.db2.gz YVMPWXCNQKZWCR-HLUHBDAQSA-N 0 0 292.310 1.233 50 0 CDAARN O=C1CNC(=S)N1c1ccccc1C(F)(F)F ZINC000003440592 304642727 /nfs/dbraw/zinc/64/27/27/304642727.db2.gz KGXRJPBGYNJIDQ-UHFFFAOYSA-N 0 0 260.240 1.927 50 0 CDAARN C[C@H]1CN(S(=O)(=O)NC2CCCCCC2)C[C@H](C)O1 ZINC000032895366 300284628 /nfs/dbraw/zinc/28/46/28/300284628.db2.gz JMGNJAZWKXIZHU-RYUDHWBXSA-N 0 0 290.429 1.653 50 0 CDAARN 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COc1ccc(C(=O)N2CCN(C(=O)C3CC3)CC2)cc1 ZINC000033028477 367762566 /nfs/dbraw/zinc/76/25/66/367762566.db2.gz GWLYMEFMIIULKL-UHFFFAOYSA-N 0 0 288.347 1.390 50 0 CDAARN CSC[C@](C)(O)CNC(=O)/C=C/c1ccccc1 ZINC000075157223 367931516 /nfs/dbraw/zinc/93/15/16/367931516.db2.gz HQRPXTURXVMFLG-MYSGNRETSA-N 0 0 265.378 1.930 50 0 CDAARN O=C(/C=C/c1ccc2c(c1)OCO2)N[C@H]1CCC[C@@H](O)C1 ZINC000075156736 367933260 /nfs/dbraw/zinc/93/32/60/367933260.db2.gz ZEUMCMVGEACNQG-JHSWMASBSA-N 0 0 289.331 1.848 50 0 CDAARN Cc1cnccc1NC(=O)NCC(=O)OC(C)(C)C ZINC000121710943 368324470 /nfs/dbraw/zinc/32/44/70/368324470.db2.gz OHUYUKGKBLOGSL-UHFFFAOYSA-N 0 0 265.313 1.853 50 0 CDAARN O=S1(=O)CCN2C=C(C(F)(F)F)C=C(Cl)C2=N1 ZINC000007719310 368874726 /nfs/dbraw/zinc/87/47/26/368874726.db2.gz YEYSQRNZDMMDSJ-UHFFFAOYSA-N 0 0 286.662 1.613 50 0 CDAARN CC(C)NC(=O)N1CCN(c2cccc(F)c2)C(=O)[C@H]1C ZINC000037521059 368916374 /nfs/dbraw/zinc/91/63/74/368916374.db2.gz MGOPZITYSPAFEM-LLVKDONJSA-N 0 0 293.342 1.981 50 0 CDAARN C[C@@H]1CN(Cc2cn(C(C)(C)C)nn2)CC[C@@H]1O ZINC000361603164 368931268 /nfs/dbraw/zinc/93/12/68/368931268.db2.gz LSDYVSVSTPQXNH-PWSUYJOCSA-N 0 0 252.362 1.236 50 0 CDAARN Cc1cc(N[C@@H]2CCC[C@@H]2C(N)=O)nc(-c2ccccn2)n1 ZINC000420639242 244305744 /nfs/dbraw/zinc/30/57/44/244305744.db2.gz PSYKTMVCMNOWCD-NWDGAFQWSA-N 0 0 297.362 1.335 50 0 CDAARN O=c1ccc(C(F)(F)F)nn1Cc1ccccn1 ZINC000089883781 370194919 /nfs/dbraw/zinc/19/49/19/370194919.db2.gz OCGDJMOJLNRIBK-UHFFFAOYSA-N 0 0 255.199 1.705 50 0 CDAARN CC1(C)CN(C(=O)C[C@H]2C=CCC2)CCS1(=O)=O ZINC000089919579 370195891 /nfs/dbraw/zinc/19/58/91/370195891.db2.gz IBFNVCKCQJLLBR-NSHDSACASA-N 0 0 271.382 1.378 50 0 CDAARN CC[C@H](C)NC(=O)COC(=O)Cc1ccccc1OC ZINC000012574821 370205444 /nfs/dbraw/zinc/20/54/44/370205444.db2.gz FPKIVAKFGGFLRL-NSHDSACASA-N 0 0 279.336 1.696 50 0 CDAARN COc1nc(CNC(=O)Nc2ccccc2)nc(OC)n1 ZINC000575607858 370623181 /nfs/dbraw/zinc/62/31/81/370623181.db2.gz QNMQPPIRIFZNNZ-UHFFFAOYSA-N 0 0 289.295 1.211 50 0 CDAARN O=C(COc1ccccc1)N1CC[C@@H](Oc2ncccn2)C1 ZINC000575609937 370641084 /nfs/dbraw/zinc/64/10/84/370641084.db2.gz CABIIRPJZWGJDS-CQSZACIVSA-N 0 0 299.330 1.535 50 0 CDAARN Cc1ncnc(N2CCN(C(=O)C3CC3)CC2)c1C ZINC000575606151 370613798 /nfs/dbraw/zinc/61/37/98/370613798.db2.gz CXPBUFVEIIOGLX-UHFFFAOYSA-N 0 0 260.341 1.152 50 0 CDAARN O=C(CN1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000025719571 371300557 /nfs/dbraw/zinc/30/05/57/371300557.db2.gz WQGOSMQPWWHBRG-UHFFFAOYSA-N 0 0 260.337 1.446 50 0 CDAARN O=C(NC1CCN(c2cnsn2)CC1)c1ccccc1 ZINC000575615339 371540616 /nfs/dbraw/zinc/54/06/16/371540616.db2.gz CUYYOEWPRGHETC-UHFFFAOYSA-N 0 0 288.376 1.937 50 0 CDAARN CCCc1nc(C)cc(N(C)Cc2nncn2C)n1 ZINC000670443391 482988036 /nfs/dbraw/zinc/98/80/36/482988036.db2.gz IDAWPRZAJJWPNY-UHFFFAOYSA-N 0 0 260.345 1.502 50 0 CDAARN O=C(NCc1cncc(N2CCCC2=O)c1)c1ccoc1 ZINC000575618259 371862010 /nfs/dbraw/zinc/86/20/10/371862010.db2.gz GCPFHMWWAROFBW-UHFFFAOYSA-N 0 0 285.303 1.731 50 0 CDAARN Cc1cc(=O)cc(C(=O)N[C@H](C)c2nc(C3CC3)no2)o1 ZINC000299792303 372764894 /nfs/dbraw/zinc/76/48/94/372764894.db2.gz GAMVDVFSKMNRPY-MRVPVSSYSA-N 0 0 289.291 1.700 50 0 CDAARN CC(C)C[N@@H+]1CC[C@@H]([NH+](C)C)[C@@H](CCC(=O)[O-])C1 ZINC000299756067 372745197 /nfs/dbraw/zinc/74/51/97/372745197.db2.gz CHLYDTYFNVMXSU-QWHCGFSZSA-N 0 0 256.390 1.759 50 0 CDAARN Cc1cc(CC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)on1 ZINC000299771862 372750710 /nfs/dbraw/zinc/75/07/10/372750710.db2.gz ZFVWCAHUMDUMSR-LLVKDONJSA-N 0 0 274.324 1.655 50 0 CDAARN Cc1nnc([C@@H](C)NC(=O)Cn2nc(C)c(Cl)c2C)[nH]1 ZINC000299785650 372761867 /nfs/dbraw/zinc/76/18/67/372761867.db2.gz LECWNLULPNZZFJ-SSDOTTSWSA-N 0 0 296.762 1.457 50 0 CDAARN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 ZINC000031850886 372830407 /nfs/dbraw/zinc/83/04/07/372830407.db2.gz ZGVHODDAMBUCRR-GFCCVEGCSA-N 0 0 292.404 1.858 50 0 CDAARN CN(CC(N)=O)C(=O)c1cccc(NCC2CC2)c1 ZINC000239667851 189902093 /nfs/dbraw/zinc/90/20/93/189902093.db2.gz BRSAVZDOAUWJLW-UHFFFAOYSA-N 0 0 261.325 1.066 50 0 CDAARN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H](c2ccsc2)O1 ZINC000241911292 189904948 /nfs/dbraw/zinc/90/49/48/189904948.db2.gz UBHQYNJENRTYJS-BXKDBHETSA-N 0 0 292.364 1.479 50 0 CDAARN NC(=O)c1ccc(NCCc2ccc(O)cc2)nc1 ZINC000094431049 373030324 /nfs/dbraw/zinc/03/03/24/373030324.db2.gz XISDTINKOMUZRT-UHFFFAOYSA-N 0 0 257.293 1.541 50 0 CDAARN COc1cccc(CNC(=O)N2CCO[C@@H](C)C2)c1 ZINC000031027976 373069716 /nfs/dbraw/zinc/06/97/16/373069716.db2.gz ODAMSTUHLVEYHW-NSHDSACASA-N 0 0 264.325 1.626 50 0 CDAARN CCOc1ncccc1C(=O)NCCc1cc(C)n(C)n1 ZINC000245131282 189915715 /nfs/dbraw/zinc/91/57/15/189915715.db2.gz VMPVYHAIBFVROS-UHFFFAOYSA-N 0 0 288.351 1.495 50 0 CDAARN CC(=O)N[C@H]1CCCN(C(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000037815245 373414664 /nfs/dbraw/zinc/41/46/64/373414664.db2.gz HKIZICYTMVPCSN-GJZGRUSLSA-N 0 0 289.379 1.204 50 0 CDAARN Cc1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)on1 ZINC000253392528 373681426 /nfs/dbraw/zinc/68/14/26/373681426.db2.gz AFRYIJXKYSKDIB-AAEUAGOBSA-N 0 0 294.351 1.281 50 0 CDAARN O=C(c1ccnc(OC2CCOCC2)c1)N1CCOCC1 ZINC000253405134 373693728 /nfs/dbraw/zinc/69/37/28/373693728.db2.gz RVOCTSLAMNUVBS-UHFFFAOYSA-N 0 0 292.335 1.112 50 0 CDAARN CC/C=C(\C)C(=O)N1CCC[C@H](c2nncn2C)C1 ZINC000102941848 373773646 /nfs/dbraw/zinc/77/36/46/373773646.db2.gz FTGDLUQJQNZIDF-BCMYLCSRSA-N 0 0 262.357 1.877 50 0 CDAARN COC[C@@H]1CN(C(=O)C2CC2)C[C@H]1c1ccncc1 ZINC000253412829 373721312 /nfs/dbraw/zinc/72/13/12/373721312.db2.gz SEJQTVQCRORLSM-KBPBESRZSA-N 0 0 260.337 1.680 50 0 CDAARN C[C@H](NC(=O)c1nc(-c2ccccc2)nn1C)c1ncon1 ZINC000253418156 373727815 /nfs/dbraw/zinc/72/78/15/373727815.db2.gz HBUZEROCCAHHAP-VIFPVBQESA-N 0 0 298.306 1.356 50 0 CDAARN c1cnn(C[C@@H]2CN(C[C@H]3CCCCO3)CCO2)c1 ZINC000106665254 373767736 /nfs/dbraw/zinc/76/77/36/373767736.db2.gz UHHYQCDRDCXTBL-KGLIPLIRSA-N 0 0 265.357 1.153 50 0 CDAARN O=C(N[C@@H]1CCSC1=O)c1ccnc(OCC2CC2)c1 ZINC000253473415 373805786 /nfs/dbraw/zinc/80/57/86/373805786.db2.gz UUZRIZMPAVKYLA-LLVKDONJSA-N 0 0 292.360 1.632 50 0 CDAARN CNC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000013005885 374124464 /nfs/dbraw/zinc/12/44/64/374124464.db2.gz LBHAWPHRUYFKRZ-UHFFFAOYSA-N 0 0 285.347 1.523 50 0 CDAARN O=C(Cc1cccnc1)N1CC(Oc2nccs2)C1 ZINC000206921691 374180784 /nfs/dbraw/zinc/18/07/84/374180784.db2.gz HFHIJOCVVGEXFF-UHFFFAOYSA-N 0 0 275.333 1.370 50 0 CDAARN Cn1c(=O)c(C(=O)Nc2ccc(F)cc2)c[nH]c1=S ZINC000100923473 374159371 /nfs/dbraw/zinc/15/93/71/374159371.db2.gz PTINHTSHYIVVHW-UHFFFAOYSA-N 0 0 279.296 1.834 50 0 CDAARN O=C(Cc1ccsc1)N1CC[C@H](Oc2cccnn2)C1 ZINC000225415945 374330521 /nfs/dbraw/zinc/33/05/21/374330521.db2.gz NQGYFCDZHNOUQE-LBPRGKRZSA-N 0 0 289.360 1.761 50 0 CDAARN C[C@@H](NS(=O)(=O)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000028326669 374464561 /nfs/dbraw/zinc/46/45/61/374464561.db2.gz LUEYHLONMUVGGT-SKDRFNHKSA-N 0 0 273.329 1.672 50 0 CDAARN O=C([O-])CCC[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000116375160 374466820 /nfs/dbraw/zinc/46/68/20/374466820.db2.gz XHVTYYOQSYRYNM-UHFFFAOYSA-N 0 0 283.759 1.722 50 0 CDAARN Nc1ncc(-c2nonc2-c2cnc(N)s2)s1 ZINC000334160481 206123891 /nfs/dbraw/zinc/12/38/91/206123891.db2.gz FRAOSXPSIZQDOE-UHFFFAOYSA-N 0 0 266.311 1.142 50 0 CDAARN COc1ccc(CNC(=O)c2ccc3n[nH]c(=O)n3c2)cc1 ZINC000342856502 374635531 /nfs/dbraw/zinc/63/55/31/374635531.db2.gz ZBDGIMDAHZYNPU-UHFFFAOYSA-N 0 0 298.302 1.374 50 0 CDAARN O=C(Nc1ccncc1)[C@H](c1ccccc1)n1cnnn1 ZINC000079486040 374817062 /nfs/dbraw/zinc/81/70/62/374817062.db2.gz WVTHJLOPPQDLHC-ZDUSSCGKSA-N 0 0 280.291 1.296 50 0 CDAARN CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CCCC23OCCO3)C1(C)C ZINC000252509197 189979964 /nfs/dbraw/zinc/97/99/64/189979964.db2.gz YFQYERRXDIYAKN-LALPHHSUSA-N 0 0 297.395 1.849 50 0 CDAARN O=C(NCCSCC1CC1)N1CC[C@]2(CCOC2)C1 ZINC000095418688 374920059 /nfs/dbraw/zinc/92/00/59/374920059.db2.gz APFCECTVMDTSCD-AWEZNQCLSA-N 0 0 284.425 1.952 50 0 CDAARN OC[C@@H](O)CSc1nc(C(F)(F)F)cs1 ZINC000095428501 374929277 /nfs/dbraw/zinc/92/92/77/374929277.db2.gz IROLGAYKOJZMHK-SCSAIBSYSA-N 0 0 259.274 1.607 50 0 CDAARN C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000095433443 374934499 /nfs/dbraw/zinc/93/44/99/374934499.db2.gz FYTGPRBHPWNVLT-CHWSQXEVSA-N 0 0 290.429 1.200 50 0 CDAARN COC(=O)CN(CCC(F)(F)F)c1nccc(OC)n1 ZINC000095443213 374944466 /nfs/dbraw/zinc/94/44/66/374944466.db2.gz CPLDVLLSPBCIOG-UHFFFAOYSA-N 0 0 293.245 1.417 50 0 CDAARN Cc1cc(=O)c(C(=O)N[C@@H](CCO)c2ccccc2)c[nH]1 ZINC000095445602 374946035 /nfs/dbraw/zinc/94/60/35/374946035.db2.gz QXFKTZROLFEWFM-AWEZNQCLSA-N 0 0 286.331 1.537 50 0 CDAARN CC(C)c1nc2c(n1C)CCN(Cc1cn(C)nn1)C2 ZINC000095445419 374946425 /nfs/dbraw/zinc/94/64/25/374946425.db2.gz BKRANKBEQTVMAG-UHFFFAOYSA-N 0 0 274.372 1.230 50 0 CDAARN O=C(N[C@H](CCCO)c1ccccc1)C1(O)CCCC1 ZINC000095445718 374946539 /nfs/dbraw/zinc/94/65/39/374946539.db2.gz SVXWXDPNKFQTNK-CQSZACIVSA-N 0 0 277.364 1.922 50 0 CDAARN Cc1nn(CCO)c(NCc2cscn2)c1C ZINC000095452124 374952317 /nfs/dbraw/zinc/95/23/17/374952317.db2.gz QRZDUESXNJAEBH-UHFFFAOYSA-N 0 0 252.343 1.561 50 0 CDAARN COc1ccc(-c2cc(C(=O)Nc3nc[nH]n3)n(C)n2)cc1 ZINC000095474945 374968051 /nfs/dbraw/zinc/96/80/51/374968051.db2.gz AZIONRBBNFZXBY-UHFFFAOYSA-N 0 0 298.306 1.466 50 0 CDAARN CCO[C@@H]1C[C@H](O)C12CCN(c1nc(C)cc(C)n1)CC2 ZINC000095400835 374905388 /nfs/dbraw/zinc/90/53/88/374905388.db2.gz IAHBUYQUACYIGZ-UONOGXRCSA-N 0 0 291.395 1.850 50 0 CDAARN CCn1c(C)nnc1CN(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000095400268 374906074 /nfs/dbraw/zinc/90/60/74/374906074.db2.gz JCNJXPDMMYAHJT-YUTCNCBUSA-N 0 0 278.400 1.852 50 0 CDAARN COC(=O)C[C@H](c1cnn(C)c1)c1oc(C)cc(=O)c1O ZINC000095473554 374968358 /nfs/dbraw/zinc/96/83/58/374968358.db2.gz NBBQMRSBTILCHI-SNVBAGLBSA-N 0 0 292.291 1.082 50 0 CDAARN O=C(NCCc1nc(-c2ccco2)no1)C1CCC1 ZINC000096292903 375075842 /nfs/dbraw/zinc/07/58/42/375075842.db2.gz PEVYBHUKDSQXGN-UHFFFAOYSA-N 0 0 261.281 1.788 50 0 CDAARN Cc1cc(C)cc([C@@H](O)CNC(=O)Nc2ccncn2)c1 ZINC000282617857 375097593 /nfs/dbraw/zinc/09/75/93/375097593.db2.gz JGMBUNLZDGOEMT-ZDUSSCGKSA-N 0 0 286.335 1.949 50 0 CDAARN Cc1cnn(C2CCCC2)c1NC(=O)N1CCNC(=O)C1 ZINC000096165576 375060292 /nfs/dbraw/zinc/06/02/92/375060292.db2.gz USXIDGFDPIWXST-UHFFFAOYSA-N 0 0 291.355 1.270 50 0 CDAARN C[C@H](NC(=O)Cc1c(F)cccc1F)c1ncon1 ZINC000097047482 375141568 /nfs/dbraw/zinc/14/15/68/375141568.db2.gz OPMFCYXFAZSUND-ZETCQYMHSA-N 0 0 267.235 1.768 50 0 CDAARN CN(C)c1cccc(C(=O)Nc2nnc3n2CCCC3)c1 ZINC000097057808 375143142 /nfs/dbraw/zinc/14/31/42/375143142.db2.gz JKDQROJTRHWCBJ-UHFFFAOYSA-N 0 0 285.351 1.933 50 0 CDAARN CC[C@@H](CO)NC(=O)NCc1cc(Cl)cc2c1OCC2 ZINC000097114803 375148814 /nfs/dbraw/zinc/14/88/14/375148814.db2.gz HBTLWXWSJBPFHK-LBPRGKRZSA-N 0 0 298.770 1.845 50 0 CDAARN Cc1csc(CN(C)c2nc(N)nc3nc[nH]c32)n1 ZINC000097115342 375149247 /nfs/dbraw/zinc/14/92/47/375149247.db2.gz DUNIVMYDBOMEJC-UHFFFAOYSA-N 0 0 275.341 1.336 50 0 CDAARN CC(C)c1nsc(N[C@@H]2CCCN(C(N)=O)C2)n1 ZINC000097108331 375149691 /nfs/dbraw/zinc/14/96/91/375149691.db2.gz UBBDBPOAWOFGRH-MRVPVSSYSA-N 0 0 269.374 1.617 50 0 CDAARN Cc1nccc(N2CCN(C(=O)Cc3cccnc3)CC2)n1 ZINC000097115752 375150452 /nfs/dbraw/zinc/15/04/52/375150452.db2.gz NEMQMQDHQUAAAO-UHFFFAOYSA-N 0 0 297.362 1.071 50 0 CDAARN O=C(COC1CCCC1)N[C@@H]1CCc2nccn2C1 ZINC000097197421 375153313 /nfs/dbraw/zinc/15/33/13/375153313.db2.gz SMYVJQFEBLGXEJ-LLVKDONJSA-N 0 0 263.341 1.273 50 0 CDAARN CC(C)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000055378627 375160049 /nfs/dbraw/zinc/16/00/49/375160049.db2.gz RTWKHTJFDHCZHF-UHFFFAOYSA-N 0 0 286.372 1.540 50 0 CDAARN Cc1c(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000028576249 375281338 /nfs/dbraw/zinc/28/13/38/375281338.db2.gz VHLVWBYTJZQLSV-QWRGUYRKSA-N 0 0 265.357 1.297 50 0 CDAARN COc1ccc(C(=O)NCCCN2CCCC2=O)cc1 ZINC000002642742 375284483 /nfs/dbraw/zinc/28/44/83/375284483.db2.gz KOTTXNZAZIGRQA-UHFFFAOYSA-N 0 0 276.336 1.438 50 0 CDAARN C[N@H+](CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679980 375294011 /nfs/dbraw/zinc/29/40/11/375294011.db2.gz CKZOEHDCGRUFGE-SNVBAGLBSA-N 0 0 294.178 1.657 50 0 CDAARN 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CC[C@H](C)N1CN2C(=O)N[C@H]3[C@@H]2N(C1)C(=O)N3C(C)(C)C ZINC000248243896 287598003 /nfs/dbraw/zinc/59/80/03/287598003.db2.gz PRULLLXYUYFQSV-AXFHLTTASA-N 0 0 295.387 1.229 50 0 CDAARN O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCOC1 ZINC000048978283 260203012 /nfs/dbraw/zinc/20/30/12/260203012.db2.gz DNUBVQYIOLYZBJ-LLVKDONJSA-N 0 0 263.293 1.111 50 0 CDAARN C[NH+]1CCC(OCCCNC(=O)c2ccc[nH]2)CC1 ZINC000218967404 262348266 /nfs/dbraw/zinc/34/82/66/262348266.db2.gz QVVBZMKODJRJPQ-UHFFFAOYSA-N 0 0 265.357 1.245 50 0 CDAARN CCC1(CC)CC(=O)N(Cc2ncnn2CC(C)C)C1=O ZINC000097047951 424618974 /nfs/dbraw/zinc/61/89/74/424618974.db2.gz NFYRBDDQAZOXNL-UHFFFAOYSA-N 0 0 292.383 1.999 50 0 CDAARN CN(C)c1ccc(C(=O)NCC[C@@H]2CCCOC2)cn1 ZINC000529604602 271003643 /nfs/dbraw/zinc/00/36/43/271003643.db2.gz ZYPIXSWGFWMOMX-LBPRGKRZSA-N 0 0 277.368 1.694 50 0 CDAARN CC[C@H]1NC(=O)N(Cc2cccnc2C(F)(F)F)C1=O ZINC000530161934 271118798 /nfs/dbraw/zinc/11/87/98/271118798.db2.gz TXILXLHFMJPWIY-MRVPVSSYSA-N 0 0 287.241 1.931 50 0 CDAARN CC(=O)Nc1nonc1-c1nc2ccccc2n1C ZINC000000244219 275498040 /nfs/dbraw/zinc/49/80/40/275498040.db2.gz JHTMMJOGBQFEQW-UHFFFAOYSA-N 0 0 257.253 1.582 50 0 CDAARN CC(=O)[C@@]1(C)ON=C2c3ccccc3CC[C@@H]2N1O ZINC000013102259 275800765 /nfs/dbraw/zinc/80/07/65/275800765.db2.gz YMTFSWVCCUBEKQ-GXTWGEPZSA-N 0 0 260.293 1.732 50 0 CDAARN CCNc1ccnc(N2CC[C@]3(C2)CCCN(C)C3=O)n1 ZINC000067883768 276271431 /nfs/dbraw/zinc/27/14/31/276271431.db2.gz HRNYDIVYXBBOIU-HNNXBMFYSA-N 0 0 289.383 1.357 50 0 CDAARN CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N ZINC000000063762 276302670 /nfs/dbraw/zinc/30/26/70/276302670.db2.gz CXLVWGJEYPJEAG-UHFFFAOYSA-N 0 0 261.285 1.038 50 0 CDAARN CC[C@@H](C(=O)[O-])[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000263581281 276410576 /nfs/dbraw/zinc/41/05/76/276410576.db2.gz WYLHCXSIOIDNOS-LBPRGKRZSA-N 0 0 267.304 1.206 50 0 CDAARN CN1c2ccccc2[C@](O)([C@@H]2c3ccccc3NC2=O)C1=O ZINC000100793416 276992678 /nfs/dbraw/zinc/99/26/78/276992678.db2.gz TYWPDUSFRIHFTP-PBHICJAKSA-N 0 0 294.310 1.587 50 0 biogenic CDAARN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1c(C)noc1C ZINC000026916357 277010598 /nfs/dbraw/zinc/01/05/98/277010598.db2.gz DZZMFXHWTVURHU-INIZCTEOSA-N 0 0 299.374 1.964 50 0 CDAARN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccn(C)n1 ZINC000095952919 277020922 /nfs/dbraw/zinc/02/09/22/277020922.db2.gz HEKISWCEIHTJIA-AWEZNQCLSA-N 0 0 298.346 1.332 50 0 CDAARN COC(=O)C1CCN(C(=O)c2cccc(C)n2)CC1 ZINC000032909275 277052932 /nfs/dbraw/zinc/05/29/32/277052932.db2.gz REPVPFPQIUWSDK-UHFFFAOYSA-N 0 0 262.309 1.415 50 0 CDAARN CC(=O)c1cc(I)c(=O)[nH]c1C ZINC000085436255 277106344 /nfs/dbraw/zinc/10/63/44/277106344.db2.gz XVXNPHHEOBYYAE-UHFFFAOYSA-N 0 0 277.061 1.491 50 0 CDAARN CC(C)(C)OC(=O)N1CCC(=O)[C@H]([C@H]2CCOC2)C1 ZINC000160084156 277180321 /nfs/dbraw/zinc/18/03/21/277180321.db2.gz KBUQDRZZOYOBLV-QWRGUYRKSA-N 0 0 269.341 1.849 50 0 CDAARN COC(=O)CNC(=O)Nc1ncc(-c2ccccc2)n1C ZINC000035562471 277322713 /nfs/dbraw/zinc/32/27/13/277322713.db2.gz WIMOLKMECIDLBS-UHFFFAOYSA-N 0 0 288.307 1.382 50 0 CDAARN COC(=O)c1ccc2ncc(Br)n2n1 ZINC000095707953 277439693 /nfs/dbraw/zinc/43/96/93/277439693.db2.gz GTMUMEVVAXZMNO-UHFFFAOYSA-N 0 0 256.059 1.278 50 0 CDAARN C[C@@H]1CN(C(=O)c2cc(Cl)ccn2)C[C@H](C)O1 ZINC000012902722 277850985 /nfs/dbraw/zinc/85/09/85/277850985.db2.gz OTASYANZUVJJLZ-DTORHVGOSA-N 0 0 254.717 1.984 50 0 CDAARN CC(C)c1c[nH]c2c(c(=O)n(C)c(=O)n2C)c1=S ZINC000010216935 278066741 /nfs/dbraw/zinc/06/67/41/278066741.db2.gz VSQKPDBUPWYSDS-UHFFFAOYSA-N 0 0 265.338 1.044 50 0 CDAARN COc1n[nH]c(NC(=O)c2ccc3nc(C)ccc3c2)n1 ZINC000097048530 278086216 /nfs/dbraw/zinc/08/62/16/278086216.db2.gz PQUDIYVICTZGLA-UHFFFAOYSA-N 0 0 283.291 1.922 50 0 CDAARN Cc1cc(NC(=O)c2c(C)oc3c2C2=NCCN2C=N3)no1 ZINC000100694857 278730671 /nfs/dbraw/zinc/73/06/71/278730671.db2.gz OBURDSBNQNXEPG-UHFFFAOYSA-N 0 0 299.290 1.872 50 0 CDAARN C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000000029675 278791026 /nfs/dbraw/zinc/79/10/26/278791026.db2.gz HXWSPSPZSDFNPB-NXEZZACHSA-N 0 0 273.329 1.624 50 0 CDAARN Cc1nn2c(nnc(Nc3ccc(C)cc3)c2=O)s1 ZINC000027643319 279218468 /nfs/dbraw/zinc/21/84/68/279218468.db2.gz QITFDLGDOJIYKD-UHFFFAOYSA-N 0 0 273.321 1.906 50 0 CDAARN Cn1c2ccccc2cc(C(=O)N[C@H]2C[C@@H]3OCC[C@H]23)c1=O ZINC000222503250 279320425 /nfs/dbraw/zinc/32/04/25/279320425.db2.gz YWFZBPFVQATHJM-ZLDLUXBVSA-N 0 0 298.342 1.446 50 0 CDAARN CC(C)NC(=O)N[C@@H]1C[C@H](C)NC(=O)N1C(C)C ZINC000000518590 279592974 /nfs/dbraw/zinc/59/29/74/279592974.db2.gz INXKWNSOFHYLME-UWVGGRQHSA-N 0 0 256.350 1.232 50 0 biogenic CDAARN CCOc1ccc2c(c1)=N[C@]1(N=2)c2ccccc2N(C)C1=O ZINC000004023078 279966191 /nfs/dbraw/zinc/96/61/91/279966191.db2.gz QHGVHWRAQKSXHI-QGZVFWFLSA-N 0 0 293.326 1.168 50 0 biogenic CDAARN CCS(=O)(=O)N1CCN(c2ccc(C)cc2)[C@@H](C)C1 ZINC000016552213 280015200 /nfs/dbraw/zinc/01/52/00/280015200.db2.gz XIPXSXVJTZZYEC-ZDUSSCGKSA-N 0 0 282.409 1.855 50 0 CDAARN Cn1cc(NC(=O)N2CCc3ccccc3C2)ccc1=O ZINC000194723952 280051171 /nfs/dbraw/zinc/05/11/71/280051171.db2.gz JVUYEGVWMYHKNI-UHFFFAOYSA-N 0 0 283.331 1.976 50 0 CDAARN O=C(Nc1cnns1)c1cc(-n2cccn2)ccn1 ZINC000191289309 280053441 /nfs/dbraw/zinc/05/34/41/280053441.db2.gz TZYHHSMUECXBDL-UHFFFAOYSA-N 0 0 272.293 1.371 50 0 CDAARN O=C1CN(Cc2c(Cl)ccc3cccnc32)CCN1 ZINC000051379586 280263368 /nfs/dbraw/zinc/26/33/68/280263368.db2.gz MDJUYTSLPSZLBE-UHFFFAOYSA-N 0 0 275.739 1.820 50 0 CDAARN CC(C)[C@H](Sc1ccccc1)C(=O)NC(N)=O ZINC000003356538 280350908 /nfs/dbraw/zinc/35/09/08/280350908.db2.gz ZEHYVJQTNBFLPQ-JTQLQIEISA-N 0 0 252.339 1.998 50 0 CDAARN Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 ZINC000000211291 280913879 /nfs/dbraw/zinc/91/38/79/280913879.db2.gz GCEDFFAYRXYLEN-UHFFFAOYSA-N 0 0 287.344 1.910 50 0 CDAARN Cc1ccc(S(=O)(=O)N2CCNC[C@H]2C)c(F)c1 ZINC000193354218 280929348 /nfs/dbraw/zinc/92/93/48/280929348.db2.gz QGDHQSSLFCOPRT-SNVBAGLBSA-N 0 0 272.345 1.117 50 0 CDAARN Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1 ZINC000000492538 281157265 /nfs/dbraw/zinc/15/72/65/281157265.db2.gz HFXUSQVHWHQZJR-UHFFFAOYSA-N 0 0 271.320 1.806 50 0 CDAARN CC1(C)OC(=O)C(=C2SCCCS2)C(=O)O1 ZINC000002151659 281398519 /nfs/dbraw/zinc/39/85/19/281398519.db2.gz LGZZZOKJUHEUTC-UHFFFAOYSA-N 0 0 260.336 1.904 50 0 CDAARN CCC(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C ZINC000034614550 281945006 /nfs/dbraw/zinc/94/50/06/281945006.db2.gz JEMOGQYNLSWGPL-GIPNMCIBSA-N 0 0 271.382 1.763 50 0 CDAARN Cc1nc2c(cnn2C)c(N2CCC(c3cn[nH]c3)CC2)n1 ZINC000097201854 282016628 /nfs/dbraw/zinc/01/66/28/282016628.db2.gz QGGIWAOXCAMMET-UHFFFAOYSA-N 0 0 297.366 1.779 50 0 CDAARN CN1CC[C@@H](C(=O)N2CCC[C@H](C(F)(F)F)C2)CC1=O ZINC000095948229 289062738 /nfs/dbraw/zinc/06/27/38/289062738.db2.gz XYOADQSJCDHAJW-ZJUUUORDSA-N 0 0 292.301 1.656 50 0 CDAARN C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(C)CC(=O)N12 ZINC000000490986 289066703 /nfs/dbraw/zinc/06/67/03/289066703.db2.gz WFENVMYHTBGSMD-RNCFNFMXSA-N 0 0 283.331 1.454 50 0 biogenic CDAARN CN1CCO[C@H](C(=O)NC(C)(C)C2CCCC2)C1 ZINC000096487292 290104083 /nfs/dbraw/zinc/10/40/83/290104083.db2.gz FKXBETWLVGHPKS-LBPRGKRZSA-N 0 0 254.374 1.402 50 0 CDAARN Cc1nc(CN2C(=O)CSc3ccccc32)n(C)n1 ZINC000095388227 293262316 /nfs/dbraw/zinc/26/23/16/293262316.db2.gz FMLDNXZVHYAGOK-UHFFFAOYSA-N 0 0 274.349 1.762 50 0 CDAARN Cn1c(=O)cc(C(=O)N2CCSCC2)c2ccccc21 ZINC000216530515 294139653 /nfs/dbraw/zinc/13/96/53/294139653.db2.gz DGRXCKBGAJVZOP-UHFFFAOYSA-N 0 0 288.372 1.728 50 0 CDAARN Cn1c(C(=O)N2CCCS2(=O)=O)cc2ccccc21 ZINC000048762835 294148430 /nfs/dbraw/zinc/14/84/30/294148430.db2.gz NPJAXFAGLXVBEI-UHFFFAOYSA-N 0 0 278.333 1.354 50 0 CDAARN Cn1c2ccnc(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000015109214 294192153 /nfs/dbraw/zinc/19/21/53/294192153.db2.gz AZPOZGGTMIYKQO-UHFFFAOYSA-N 0 0 267.288 1.299 50 0 CDAARN Cn1cc(I)c2c1ncnc2N ZINC000085221910 294245324 /nfs/dbraw/zinc/24/53/24/294245324.db2.gz VNFSLRASQZPDFQ-UHFFFAOYSA-N 0 0 274.065 1.155 50 0 CDAARN Cn1cc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cn1 ZINC000025308936 294265442 /nfs/dbraw/zinc/26/54/42/294265442.db2.gz VGXFOYMTOVLORN-OAHLLOKOSA-N 0 0 285.303 1.530 50 0 CDAARN COc1ccc([C@H]2CC(C)=Nc3nc(N)nn32)cc1 ZINC000100707255 295247154 /nfs/dbraw/zinc/24/71/54/295247154.db2.gz NVGCQBAYJVFITM-LLVKDONJSA-N 0 0 257.297 1.788 50 0 CDAARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 ZINC000100794832 295326479 /nfs/dbraw/zinc/32/64/79/295326479.db2.gz YLKIPOXBFBBBTA-LLVKDONJSA-N 0 0 287.315 1.888 50 0 biogenic CDAARN O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@@H]1CO ZINC000168630176 304536510 /nfs/dbraw/zinc/53/65/10/304536510.db2.gz NSZAXSUQHHSHKU-HNNXBMFYSA-N 0 0 275.348 1.399 50 0 CDAARN C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000294187696 298209824 /nfs/dbraw/zinc/20/98/24/298209824.db2.gz FTUNTOJBCCBQIP-TZMCWYRMSA-N 0 0 290.363 1.583 50 0 CDAARN O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)CCC2 ZINC000032912262 304651050 /nfs/dbraw/zinc/65/10/50/304651050.db2.gz RYSJCDRYBNQUHZ-GXTWGEPZSA-N 0 0 291.372 1.325 50 0 CDAARN C[C@H]1CS(=O)(=O)CCN1Cc1ccccc1N(C)C ZINC000096441455 300374678 /nfs/dbraw/zinc/37/46/78/300374678.db2.gz XLGXYRLWZKHLTB-LBPRGKRZSA-N 0 0 282.409 1.372 50 0 CDAARN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCN(c2ccccc2)C1=O ZINC000240934444 304718087 /nfs/dbraw/zinc/71/80/87/304718087.db2.gz JCCWJAOHPSGGHL-OLZOCXBDSA-N 0 0 299.330 1.219 50 0 CDAARN Cc1cccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@H]32)c1C ZINC000003618530 301997134 /nfs/dbraw/zinc/99/71/34/301997134.db2.gz JNWYJLBTZGKFJE-DGCLKSJQSA-N 0 0 279.361 1.453 50 0 CDAARN Cc1cnc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)cn1 ZINC000093513176 302331344 /nfs/dbraw/zinc/33/13/44/302331344.db2.gz CUUKZCLBCVGGRJ-QWHCGFSZSA-N 0 0 277.368 1.941 50 0 CDAARN Cn1ccnc1[C@@H]1NC(=O)CN1Cc1ccccc1 ZINC000098013824 303001330 /nfs/dbraw/zinc/00/13/30/303001330.db2.gz MOMFBHISSLVZNN-CQSZACIVSA-N 0 0 256.309 1.051 50 0 CDAARN NC(=O)NCCCOC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000096442280 303278424 /nfs/dbraw/zinc/27/84/24/303278424.db2.gz NFZZWFJVNNYQMH-IUCAKERBSA-N 0 0 296.289 1.957 50 0 CDAARN Cc1cc(C)n(CCCC(=O)NCCc2nccn2C)n1 ZINC000534577319 328310473 /nfs/dbraw/zinc/31/04/73/328310473.db2.gz WGMVAKSXRFJQIR-UHFFFAOYSA-N 0 0 289.383 1.373 50 0 CDAARN Fc1cccc(F)c1-c1nc(CN[C@@H]2CCOC2)no1 ZINC000534586814 328315889 /nfs/dbraw/zinc/31/58/89/328315889.db2.gz ABVBVEPPWOPNQL-MRVPVSSYSA-N 0 0 281.262 1.893 50 0 CDAARN Cc1noc(C)c1CC(=O)N[C@@H](c1ncnn1C)C(C)C ZINC000534590826 328318087 /nfs/dbraw/zinc/31/80/87/328318087.db2.gz NTTDYRRSWTVQLQ-CYBMUJFWSA-N 0 0 291.355 1.476 50 0 CDAARN CCCn1ncnc1[C@@H](C)NC(=O)CCn1ccnc1 ZINC000534642873 328329158 /nfs/dbraw/zinc/32/91/58/328329158.db2.gz BXVWJFGTZPFESB-LLVKDONJSA-N 0 0 276.344 1.152 50 0 CDAARN Cc1ncc(C(=O)NCc2cc(C3CC3)on2)c(=O)[nH]1 ZINC000534646691 328330514 /nfs/dbraw/zinc/33/05/14/328330514.db2.gz ZKTAXXCWEJJQQT-UHFFFAOYSA-N 0 0 274.280 1.286 50 0 CDAARN CC[C@H](NC(=O)c1cncs1)c1ncnn1C ZINC000534653002 328338338 /nfs/dbraw/zinc/33/83/38/328338338.db2.gz PJYHYLKGVNLNMC-ZETCQYMHSA-N 0 0 251.315 1.153 50 0 CDAARN Cc1c[nH]c([C@H](C)NC(=O)N(C)CCn2ccnc2C)n1 ZINC000534652956 328338346 /nfs/dbraw/zinc/33/83/46/328338346.db2.gz VBSGHSRAUIXCFC-NSHDSACASA-N 0 0 290.371 1.626 50 0 CDAARN CC[C@@H]1C=CC[N@@H+]1Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000534671113 328347563 /nfs/dbraw/zinc/34/75/63/328347563.db2.gz DFZSTHNLTHTNJX-GFCCVEGCSA-N 0 0 276.340 1.148 50 0 CDAARN Cc1n[nH]c(C)c1CC(=O)NCc1cc(C(C)C)on1 ZINC000534675224 328347881 /nfs/dbraw/zinc/34/78/81/328347881.db2.gz DYKLPRBDNVCEES-UHFFFAOYSA-N 0 0 276.340 1.997 50 0 CDAARN CC(C)C[C@@]1(C)CC(=O)N(C[C@@H](O)C(F)(F)F)C1=O ZINC000097377962 323208228 /nfs/dbraw/zinc/20/82/28/323208228.db2.gz XSOKHYYSXSMLRT-KCJUWKMLSA-N 0 0 281.274 1.721 50 0 CDAARN C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000126913648 323209923 /nfs/dbraw/zinc/20/99/23/323209923.db2.gz KHBUUPWMTUHFPE-MFKMUULPSA-N 0 0 286.335 1.846 50 0 CDAARN COc1cc(N2CCN(C[C@H]3CCCCO3)CC2)ncn1 ZINC000184068966 323353890 /nfs/dbraw/zinc/35/38/90/323353890.db2.gz PNKDGGINZRGMNM-CYBMUJFWSA-N 0 0 292.383 1.176 50 0 CDAARN O=C([O-])c1cccc(OCC[NH2+][C@H]2CCOC2)c1 ZINC000236466679 328449972 /nfs/dbraw/zinc/44/99/72/328449972.db2.gz 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/nfs/dbraw/zinc/23/77/03/357237703.db2.gz MIGREITXIMIAAD-UHFFFAOYSA-N 0 0 261.300 1.695 50 0 CDAARN Cc1cc(C)c(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)[nH]1 ZINC000095415674 357297477 /nfs/dbraw/zinc/29/74/77/357297477.db2.gz FIFQBZNSEMSFSJ-RYUDHWBXSA-N 0 0 275.352 1.515 50 0 CDAARN CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 ZINC000013714581 357269760 /nfs/dbraw/zinc/26/97/60/357269760.db2.gz UIYMJHLJLZOCJN-UHFFFAOYSA-N 0 0 262.309 1.046 50 0 CDAARN CCOc1cc(C)ccc1S(=O)(=O)N[C@H](CC)CO ZINC000054363418 357318451 /nfs/dbraw/zinc/31/84/51/357318451.db2.gz DGGTUEUWDULTMY-LLVKDONJSA-N 0 0 287.381 1.443 50 0 CDAARN CCCSc1ncc(CNC[C@H]2C[NH2+]CCO2)cn1 ZINC000055060732 357328477 /nfs/dbraw/zinc/32/84/77/357328477.db2.gz XSGDQKPKZZSCJI-GFCCVEGCSA-N 0 0 282.413 1.057 50 0 CDAARN CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1 ZINC000055161176 357330349 /nfs/dbraw/zinc/33/03/49/357330349.db2.gz QTGAJCQTLIRCFL-UHFFFAOYSA-N 0 0 264.325 1.892 50 0 world CDAARN O=C(CCN1CCCCO1)NCCCC[C@@H]1CCCO1 ZINC000055575819 357335058 /nfs/dbraw/zinc/33/50/58/357335058.db2.gz NONHVFVLSKZBLB-CQSZACIVSA-N 0 0 284.400 1.869 50 0 CDAARN CSCC[C@@H](CO)NC(=O)c1c(C)noc1C ZINC000119274316 357355480 /nfs/dbraw/zinc/35/54/80/357355480.db2.gz DNWFGURXWYBAOK-VIFPVBQESA-N 0 0 258.343 1.135 50 0 CDAARN Cc1ccc(/C=C/S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000058265435 357389536 /nfs/dbraw/zinc/38/95/36/357389536.db2.gz HNQXOQFYRSIMMD-SBDDDAINSA-N 0 0 294.376 1.116 50 0 CDAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000059739870 357435192 /nfs/dbraw/zinc/43/51/92/357435192.db2.gz CIIKZYBQADSDIN-OLZOCXBDSA-N 0 0 296.411 1.566 50 0 CDAARN O=C(CN1CCCC1=O)NCCC1=CCCCC1 ZINC000061498650 357455690 /nfs/dbraw/zinc/45/56/90/357455690.db2.gz IMMQNODDINJAGY-UHFFFAOYSA-N 0 0 250.342 1.616 50 0 CDAARN Cc1cc2cc(CNC(=O)CCS(C)(=O)=O)ccc2[nH]1 ZINC000062274632 357472480 /nfs/dbraw/zinc/47/24/80/357472480.db2.gz FOEAZQDSRRBUAY-UHFFFAOYSA-N 0 0 294.376 1.527 50 0 CDAARN CCCCN(C(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504318 357489643 /nfs/dbraw/zinc/48/96/43/357489643.db2.gz FLPOHAWCBUQQJK-LLVKDONJSA-N 0 0 259.371 1.212 50 0 CDAARN C[C@H](CNC(=O)[C@H](C)N1CCSCC1)Cn1cccn1 ZINC000095432808 357522139 /nfs/dbraw/zinc/52/21/39/357522139.db2.gz SKCUAQGWWXAUEJ-OLZOCXBDSA-N 0 0 296.440 1.073 50 0 CDAARN Cc1nccn1CCN(C)c1cc(NC2CC2)nc(N)n1 ZINC000065406300 357539118 /nfs/dbraw/zinc/53/91/18/357539118.db2.gz AUPPDJZAEJXMIE-UHFFFAOYSA-N 0 0 287.371 1.274 50 0 CDAARN CCc1cccc(OCCCN(C)C(=O)CCO)c1 ZINC000065422720 357540551 /nfs/dbraw/zinc/54/05/51/357540551.db2.gz KDSHVRGHAXJTIE-UHFFFAOYSA-N 0 0 265.353 1.859 50 0 CDAARN Cc1nc(CS(C)(=O)=O)n(-c2ccc(F)cc2)n1 ZINC000065431334 357541605 /nfs/dbraw/zinc/54/16/05/357541605.db2.gz HWUFRJMPYKBHEZ-UHFFFAOYSA-N 0 0 269.301 1.259 50 0 CDAARN CCC[C@H](O)CNS(=O)(=O)Cc1ccccc1C ZINC000095433088 357542364 /nfs/dbraw/zinc/54/23/64/357542364.db2.gz YUDUKBWIASCBSG-ZDUSSCGKSA-N 0 0 271.382 1.575 50 0 CDAARN COc1cc(N2CC[C@@](O)(c3ccccc3C)C2)ncn1 ZINC000065526568 357546453 /nfs/dbraw/zinc/54/64/53/357546453.db2.gz JAQLVBWOIFUJKC-INIZCTEOSA-N 0 0 285.347 1.892 50 0 CDAARN Cc1ccc(C)c([C@H](C)NC(=O)CN2C(=O)CNC2=O)c1 ZINC000067740623 357622808 /nfs/dbraw/zinc/62/28/08/357622808.db2.gz FBMVEYZVSLFPHY-NSHDSACASA-N 0 0 289.335 1.032 50 0 CDAARN CN(C)c1ncccc1CNC(=O)c1ncccc1O ZINC000067773806 357626801 /nfs/dbraw/zinc/62/68/01/357626801.db2.gz MWEAAJSALGZLNV-UHFFFAOYSA-N 0 0 272.308 1.178 50 0 CDAARN COc1cc(Br)cc(S(N)(=O)=O)c1 ZINC000067799998 357629093 /nfs/dbraw/zinc/62/90/93/357629093.db2.gz MIOYHODZZFACDK-UHFFFAOYSA-N 0 0 266.116 1.105 50 0 CDAARN CC[C@@H](C)OCC(=O)N1CCCC[C@@H]1CC(N)=O ZINC000095433602 357612869 /nfs/dbraw/zinc/61/28/69/357612869.db2.gz LBKWXFPWQJBTHR-GHMZBOCLSA-N 0 0 256.346 1.058 50 0 CDAARN Cn1ccnc1-c1ccc(N2CCC(CCO)CC2)nn1 ZINC000067676049 357618019 /nfs/dbraw/zinc/61/80/19/357618019.db2.gz PWVYEZVCWJBBDX-UHFFFAOYSA-N 0 0 287.367 1.476 50 0 CDAARN CN1C(=O)C[C@@H](C(N)=O)[C@H]1c1cccc(Cl)c1 ZINC000068593279 357651488 /nfs/dbraw/zinc/65/14/88/357651488.db2.gz QEDVGIIHVVYKHS-MWLCHTKSSA-N 0 0 252.701 1.345 50 0 CDAARN [NH3+][C@]1(C(=O)[O-])CCN(Cc2ccc3occc3c2)C1 ZINC000067846922 357631622 /nfs/dbraw/zinc/63/16/22/357631622.db2.gz ULBSXSBQBJQYHM-CQSZACIVSA-N 0 0 260.293 1.421 50 0 CDAARN O=C(CN1CC(=O)Oc2ccccc21)Nc1ccccn1 ZINC000071285024 357750468 /nfs/dbraw/zinc/75/04/68/357750468.db2.gz JGGKUWFZBQAQMU-UHFFFAOYSA-N 0 0 283.287 1.446 50 0 CDAARN CCn1nc(C)c(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1C ZINC000071753170 357778200 /nfs/dbraw/zinc/77/82/00/357778200.db2.gz ZLZYAPVNJKOJTH-VIFPVBQESA-N 0 0 289.383 1.912 50 0 CDAARN C/C=C/C=C/C(=O)NCc1ccc(S(=O)(=O)NC)cc1 ZINC000036392449 357829657 /nfs/dbraw/zinc/82/96/57/357829657.db2.gz XQLUYFZCUHHFRZ-VNKDHWASSA-N 0 0 294.376 1.343 50 0 CDAARN Cc1ccnc(OCC(=O)Nc2ccc(F)cc2)n1 ZINC000072446654 357835895 /nfs/dbraw/zinc/83/58/95/357835895.db2.gz WSXSVUWQKSGPBW-UHFFFAOYSA-N 0 0 261.256 1.942 50 0 CDAARN CSCC[C@@H](C)NS(=O)(=O)c1ccc(N)cc1 ZINC000097114563 357984249 /nfs/dbraw/zinc/98/42/49/357984249.db2.gz FLXPVQHKXAKWDJ-SECBINFHSA-N 0 0 274.411 1.689 50 0 CDAARN Cn1nccc1CNc1nnc(C(F)(F)F)s1 ZINC000097114448 357984437 /nfs/dbraw/zinc/98/44/37/357984437.db2.gz ZRZQXCIHIJMWJK-UHFFFAOYSA-N 0 0 263.248 1.903 50 0 CDAARN C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccs1 ZINC000097109087 357985218 /nfs/dbraw/zinc/98/52/18/357985218.db2.gz XAIFLQCNCUEXMA-AYVTZFPOSA-N 0 0 281.424 1.136 50 0 CDAARN Cc1cnc(C(C)(C)N[C@H](C)C(=O)N(C)C)s1 ZINC000097112064 357986767 /nfs/dbraw/zinc/98/67/67/357986767.db2.gz IMDSWLTXJLJKCK-SECBINFHSA-N 0 0 255.387 1.753 50 0 CDAARN C[C@@H]1CN(Cc2cnc3cnccn23)C(C)(C)CO1 ZINC000097139462 357991735 /nfs/dbraw/zinc/99/17/35/357991735.db2.gz NZJHEXNEATVWOD-LLVKDONJSA-N 0 0 260.341 1.729 50 0 CDAARN COc1nc(C)nc(NCCCn2ccnc2)c1C ZINC000097163734 358004449 /nfs/dbraw/zinc/00/44/49/358004449.db2.gz OJPSSOYMSWJBCR-UHFFFAOYSA-N 0 0 261.329 1.801 50 0 CDAARN O=C([C@H]1CCOc2ccccc21)N1CCS(=O)CC1 ZINC000097212423 358036671 /nfs/dbraw/zinc/03/66/71/358036671.db2.gz KDLICZDSFHSDSH-LBPRGKRZSA-N 0 0 279.361 1.144 50 0 CDAARN O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000000048397 358032356 /nfs/dbraw/zinc/03/23/56/358032356.db2.gz KBGYLRSSWXGKKZ-GFCCVEGCSA-N 0 0 284.315 1.949 50 0 CDAARN OCC1(C2=NO[C@@](O)(C(F)(F)F)C2)CCCCC1 ZINC000000054177 358075352 /nfs/dbraw/zinc/07/53/52/358075352.db2.gz YKGFAHNBCMLYMZ-SNVBAGLBSA-N 0 0 267.247 1.956 50 0 CDAARN CC(C)c1cc(C(=O)NCCSc2nc[nH]n2)n(C)n1 ZINC000082096615 358146948 /nfs/dbraw/zinc/14/69/48/358146948.db2.gz YPVMKXWITMQLRM-UHFFFAOYSA-N 0 0 294.384 1.184 50 0 CDAARN CCCc1cc(C(=O)NCCc2cnccn2)no1 ZINC000082114459 358147556 /nfs/dbraw/zinc/14/75/56/358147556.db2.gz HRWXPTROZMTTGZ-UHFFFAOYSA-N 0 0 260.297 1.390 50 0 CDAARN CCCCOCC(=O)N1CCC[C@@H](c2nccn2C)C1 ZINC000082139027 358149632 /nfs/dbraw/zinc/14/96/32/358149632.db2.gz QDCAFLUCBZBFBL-CYBMUJFWSA-N 0 0 279.384 1.943 50 0 CDAARN O=C(Cn1ccc2sccc2c1=O)NC1CCOCC1 ZINC000097053603 358135211 /nfs/dbraw/zinc/13/52/11/358135211.db2.gz YWMMUGBTINXHDS-UHFFFAOYSA-N 0 0 292.360 1.358 50 0 CDAARN CNS(=O)(=O)c1cccnc1Nc1ccc(F)cc1 ZINC000049402373 366455148 /nfs/dbraw/zinc/45/51/48/366455148.db2.gz OAYDDCDYFCPYNP-UHFFFAOYSA-N 0 0 281.312 1.872 50 0 CDAARN Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCC3)cc1 ZINC000089643114 358424466 /nfs/dbraw/zinc/42/44/66/358424466.db2.gz ZAQKLFOVMIVKEH-UHFFFAOYSA-N 0 0 297.358 1.486 50 0 CDAARN O=c1nncc(Nc2ccc(N3CCCC3)cc2)[nH]1 ZINC000012112616 358542924 /nfs/dbraw/zinc/54/29/24/358542924.db2.gz KVVFXPRKDDRWGK-UHFFFAOYSA-N 0 0 257.297 1.509 50 0 CDAARN CCOC(=O)CCCCN1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000195530659 358559380 /nfs/dbraw/zinc/55/93/80/358559380.db2.gz LMIUZNIHZIJQFA-PZROIBLQSA-N 0 0 275.414 1.561 50 0 CDAARN COc1cccc2c1OC[C@H](Cc1cc(N)ncn1)C2 ZINC000095355735 358683866 /nfs/dbraw/zinc/68/38/66/358683866.db2.gz FROPDHJFVRZWNI-JTQLQIEISA-N 0 0 271.320 1.861 50 0 CDAARN Cc1ccc([C@@H](C(=O)NCCCCCO)N(C)C)cc1 ZINC000095358916 358684317 /nfs/dbraw/zinc/68/43/17/358684317.db2.gz KAKBAPHDHKBGBS-HNNXBMFYSA-N 0 0 278.396 1.877 50 0 CDAARN c1cnc(-c2noc(CNc3nnc(C4CCC4)o3)n2)nc1 ZINC000095357495 358684558 /nfs/dbraw/zinc/68/45/58/358684558.db2.gz KNCMLLBAFJXLPG-UHFFFAOYSA-N 0 0 299.294 1.789 50 0 CDAARN O=c1cc(N2CCCCC2)cnn1C[C@H]1CCCO1 ZINC000095359652 358684626 /nfs/dbraw/zinc/68/46/26/358684626.db2.gz OVQBBSLTDXPIPY-CYBMUJFWSA-N 0 0 263.341 1.413 50 0 CDAARN CCCN1C(=O)[C@H]2CC[C@@H]1CN(c1nccc(C)n1)C2 ZINC000095379807 358689358 /nfs/dbraw/zinc/68/93/58/358689358.db2.gz AKNYMUKRUDNKBS-QWHCGFSZSA-N 0 0 274.368 1.622 50 0 CDAARN C[C@@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)c2ccccc21 ZINC000097057521 358748501 /nfs/dbraw/zinc/74/85/01/358748501.db2.gz TZPZEBNLVGDWBN-GFCCVEGCSA-N 0 0 299.374 1.598 50 0 CDAARN O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCOC1 ZINC000097076634 358750393 /nfs/dbraw/zinc/75/03/93/358750393.db2.gz MMJGXPHBOYKNQD-LLVKDONJSA-N 0 0 292.335 1.037 50 0 CDAARN O=C(CNc1ccccc1Br)N1CCNC1=O ZINC000011621397 358763453 /nfs/dbraw/zinc/76/34/53/358763453.db2.gz VNEVILOLZQPNMJ-UHFFFAOYSA-N 0 0 298.140 1.413 50 0 CDAARN Nc1ccc(-c2cc(C(=O)N3CCCC3)ccn2)cn1 ZINC000096151285 358709386 /nfs/dbraw/zinc/70/93/86/358709386.db2.gz KEFVERARMAFUDC-UHFFFAOYSA-N 0 0 268.320 1.962 50 0 CDAARN Cc1cc(C)n2nc(-c3nc([C@@H]4CCOC4)no3)cc2n1 ZINC000096179890 358712784 /nfs/dbraw/zinc/71/27/84/358712784.db2.gz BKQZRRUNKRKALP-SNVBAGLBSA-N 0 0 285.307 1.900 50 0 CDAARN Cn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1N ZINC000098209978 358816213 /nfs/dbraw/zinc/81/62/13/358816213.db2.gz XQLUBYAEDRIRFL-UHFFFAOYSA-N 0 0 281.360 1.512 50 0 CDAARN O=C(Nc1cccc2cnccc21)N1CCOC[C@H](O)C1 ZINC000097436798 358776245 /nfs/dbraw/zinc/77/62/45/358776245.db2.gz NHKUDBMBZOCHRZ-GFCCVEGCSA-N 0 0 287.319 1.460 50 0 CDAARN O=C(N[C@H]1CCSC1)c1cccc2nccnc21 ZINC000097546540 358783963 /nfs/dbraw/zinc/78/39/63/358783963.db2.gz MZSQIJJHNDHHSV-VIFPVBQESA-N 0 0 259.334 1.865 50 0 CDAARN Nc1n[nH]c(C(=O)NCCCc2cccnc2)c1Cl ZINC000215000679 358867803 /nfs/dbraw/zinc/86/78/03/358867803.db2.gz WUISYRROHSCUQL-UHFFFAOYSA-N 0 0 279.731 1.403 50 0 CDAARN Cc1c(C(N)=O)sc2sc(C(N)=O)c(C)c12 ZINC000214078292 358831822 /nfs/dbraw/zinc/83/18/22/358831822.db2.gz TVBKKGMBVNYGSJ-UHFFFAOYSA-N 0 0 254.336 1.777 50 0 CDAARN CCOC(=O)N1CCc2c(sc(N)c2C(=O)NC)C1 ZINC000100968399 358838159 /nfs/dbraw/zinc/83/81/59/358838159.db2.gz GULNUFRCYQQSHI-UHFFFAOYSA-N 0 0 283.353 1.205 50 0 CDAARN CC(C)COC[C@@H]1C[C@]2(C[C@@H](C)C(=O)CC2=O)C(=O)O1 ZINC000101054408 358839773 /nfs/dbraw/zinc/83/97/73/358839773.db2.gz APRSGORHRBTTNJ-ZETOZRRWSA-N 0 0 282.336 1.529 50 0 CDAARN CCCCNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000095457454 358873018 /nfs/dbraw/zinc/87/30/18/358873018.db2.gz ZVLIAXXGHHJMJX-YPMHNXCESA-N 0 0 256.346 1.424 50 0 CDAARN O=C(Cc1cccnc1)N1CCC[C@@H](c2ccncn2)C1 ZINC000215910391 358909596 /nfs/dbraw/zinc/90/95/96/358909596.db2.gz YFYKWOWPCUPGMB-CQSZACIVSA-N 0 0 282.347 1.820 50 0 CDAARN C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc2c(c1)OCO2 ZINC000014483773 366510573 /nfs/dbraw/zinc/51/05/73/366510573.db2.gz QNZAVWVLXLZTIV-JTQLQIEISA-N 0 0 286.287 1.540 50 0 CDAARN CCN(Cc1cccc2nonc21)[C@@H]1CCS(=O)(=O)C1 ZINC000216258392 358933200 /nfs/dbraw/zinc/93/32/00/358933200.db2.gz IOKPKRDWKGAGME-LLVKDONJSA-N 0 0 295.364 1.232 50 0 CDAARN CN(Cc1cc[nH]n1)C(=O)[C@@H](O)c1ccccc1Cl ZINC000217702000 359020862 /nfs/dbraw/zinc/02/08/62/359020862.db2.gz CGPDHKVDNOFPKD-LBPRGKRZSA-N 0 0 279.727 1.755 50 0 CDAARN Cc1noc(C)c1CNC(=O)c1nc(-c2cccnc2)no1 ZINC000012323274 358990732 /nfs/dbraw/zinc/99/07/32/358990732.db2.gz QLFBYYBGJAGNAP-UHFFFAOYSA-N 0 0 299.290 1.666 50 0 CDAARN O=C(NCc1ccccn1)c1nc(-c2ccncc2)no1 ZINC000012325126 358994132 /nfs/dbraw/zinc/99/41/32/358994132.db2.gz NULGLYUYMHDTNB-UHFFFAOYSA-N 0 0 281.275 1.457 50 0 CDAARN CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000000103656 359065872 /nfs/dbraw/zinc/06/58/72/359065872.db2.gz ZCYWBSLSRMSRPJ-UHFFFAOYSA-N 0 0 261.325 1.314 50 0 CDAARN CCc1noc([C@@H](C)NC(=O)c2cccnc2C)n1 ZINC000218810620 359066443 /nfs/dbraw/zinc/06/64/43/359066443.db2.gz JUXDPPIKYPAEPO-SECBINFHSA-N 0 0 260.297 1.826 50 0 CDAARN Cc1nccn1-c1ccccc1CNc1ncncn1 ZINC000219736196 359119691 /nfs/dbraw/zinc/11/96/91/359119691.db2.gz VIIFHSYFWXZVKO-UHFFFAOYSA-N 0 0 266.308 1.978 50 0 CDAARN O=C(CCc1ccc(F)cc1F)NCCn1cncn1 ZINC000218993219 359074078 /nfs/dbraw/zinc/07/40/78/359074078.db2.gz PHLIQSMGUOLDLQ-UHFFFAOYSA-N 0 0 280.278 1.305 50 0 CDAARN O=C(COC(=O)c1ccccn1)N1CCc2ccccc21 ZINC000000807513 359082967 /nfs/dbraw/zinc/08/29/67/359082967.db2.gz CCTQYZPYMUDVLJ-UHFFFAOYSA-N 0 0 282.299 1.828 50 0 CDAARN O=C(C[C@@H]1C=CS(=O)(=O)C1)NCCCc1ccccn1 ZINC000219418676 359096485 /nfs/dbraw/zinc/09/64/85/359096485.db2.gz YDEOEROXMDCSKW-LBPRGKRZSA-N 0 0 294.376 1.079 50 0 CDAARN COc1ccc(F)c(F)c1C(=O)NC[C@H]1CCOC1 ZINC000219794683 359127390 /nfs/dbraw/zinc/12/73/90/359127390.db2.gz BETXFHCZWSCPCZ-MRVPVSSYSA-N 0 0 271.263 1.740 50 0 CDAARN Cn1cc([C@@H](NC(=O)c2cccnc2)C2CC(O)C2)cn1 ZINC000220070334 359147937 /nfs/dbraw/zinc/14/79/37/359147937.db2.gz QKIDVAKQLGRDMK-UBHUBRDASA-N 0 0 286.335 1.057 50 0 CDAARN Cc1csc([C@@H]2CN([C@@H]3C[C@@H](C)OC3=O)CCO2)n1 ZINC000222188115 359148447 /nfs/dbraw/zinc/14/84/47/359148447.db2.gz LPIRMWHADVIRNS-MXWKQRLJSA-N 0 0 282.365 1.529 50 0 CDAARN O=C(COC(=O)c1n[nH]c2c1CCCC2)N1CCCCC1 ZINC000032809878 359243524 /nfs/dbraw/zinc/24/35/24/359243524.db2.gz ANBNYXNEFAAZIR-UHFFFAOYSA-N 0 0 291.351 1.458 50 0 CDAARN NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 ZINC000012360580 359209165 /nfs/dbraw/zinc/20/91/65/359209165.db2.gz ZGZUBEYTSYEGMC-UHFFFAOYSA-N 0 0 285.328 1.913 50 0 CDAARN CCOc1ccc(C(=O)NCCc2nc(C3CC3)no2)o1 ZINC000221197121 359217199 /nfs/dbraw/zinc/21/71/99/359217199.db2.gz AZPQPDZRBLQQEJ-UHFFFAOYSA-N 0 0 291.307 1.911 50 0 CDAARN CCOCCC(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000221219101 359218786 /nfs/dbraw/zinc/21/87/86/359218786.db2.gz BMMJABQMBGTAII-CYBMUJFWSA-N 0 0 265.357 1.548 50 0 CDAARN CC(C)OCC(=O)NCc1ccccc1-n1cccn1 ZINC000049411780 359315878 /nfs/dbraw/zinc/31/58/78/359315878.db2.gz SNGWRFHXRLQGAG-UHFFFAOYSA-N 0 0 273.336 1.914 50 0 CDAARN CCOc1ccccc1C(=O)N[C@H]1CCSC1=O ZINC000000183977 359273544 /nfs/dbraw/zinc/27/35/44/359273544.db2.gz KSWFCXBHXNQDEY-JTQLQIEISA-N 0 0 265.334 1.847 50 0 CDAARN O=C(NC1CCCCC1)c1cccnc1N1CCOCC1 ZINC000023680020 359320853 /nfs/dbraw/zinc/32/08/53/359320853.db2.gz JAJRMJBHLAYIGJ-UHFFFAOYSA-N 0 0 289.379 1.981 50 0 CDAARN O=C(CCCc1ccc(Cl)cc1)N[C@@H]1COCC[C@H]1O ZINC000222426657 359341710 /nfs/dbraw/zinc/34/17/10/359341710.db2.gz FKGUHDYGWJQEQC-ZIAGYGMSSA-N 0 0 297.782 1.929 50 0 CDAARN COCc1cc(CNC(=O)[C@@H]2CCc3ccccc3C2)[nH]n1 ZINC000222492273 359349595 /nfs/dbraw/zinc/34/95/95/359349595.db2.gz QYYACZRPANNSSX-CQSZACIVSA-N 0 0 299.374 1.977 50 0 CDAARN CNC(=O)[C@@H]1CCN(C(=O)c2c(C)cccc2Cl)C1 ZINC000222522996 359350459 /nfs/dbraw/zinc/35/04/59/359350459.db2.gz RRDNWRWLTRLGDG-SNVBAGLBSA-N 0 0 280.755 1.857 50 0 CDAARN COC[C@@H](O)CN(C)C(=O)[C@@H](C)c1cccs1 ZINC000087452053 359516180 /nfs/dbraw/zinc/51/61/80/359516180.db2.gz PIIQDGNINZWMLG-UWVGGRQHSA-N 0 0 257.355 1.317 50 0 CDAARN COC[C@@H]1CN(C(=O)c2cn(C)nc2C)CCC1(F)F ZINC000257188824 359529206 /nfs/dbraw/zinc/52/92/06/359529206.db2.gz GNOANAWRWYZEJK-JTQLQIEISA-N 0 0 287.310 1.472 50 0 CDAARN CCCn1c(C)cnc1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000257191788 359588367 /nfs/dbraw/zinc/58/83/67/359588367.db2.gz RINJSDFZKQWINA-ZDUSSCGKSA-N 0 0 299.440 1.816 50 0 CDAARN Cn1cnnc1C[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000257195454 359613329 /nfs/dbraw/zinc/61/33/29/359613329.db2.gz WDKAMVWYHVWWBA-LLVKDONJSA-N 0 0 274.324 1.503 50 0 CDAARN O=C(CSc1ccc(F)cc1)N1CCOCC1 ZINC000001400544 359637938 /nfs/dbraw/zinc/63/79/38/359637938.db2.gz FBHFMUOJTGHOPP-UHFFFAOYSA-N 0 0 255.314 1.777 50 0 CDAARN O=C(N1CCNC(=O)C1)C1(c2ccccc2)CCC1 ZINC000032904251 359695689 /nfs/dbraw/zinc/69/56/89/359695689.db2.gz NKDCLVZKASBBII-UHFFFAOYSA-N 0 0 258.321 1.067 50 0 CDAARN COc1cccc(C(=O)N(CC(F)F)C[C@H](C)O)c1 ZINC000408520723 359906531 /nfs/dbraw/zinc/90/65/31/359906531.db2.gz ULFJFMCUQAEWFF-VIFPVBQESA-N 0 0 273.279 1.783 50 0 CDAARN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1ccncn1 ZINC000408522683 359928518 /nfs/dbraw/zinc/92/85/18/359928518.db2.gz LNBXPNCIWSPTTQ-LLVKDONJSA-N 0 0 292.339 1.102 50 0 CDAARN CCOC(=O)[C@@H](CC)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000408521099 359924395 /nfs/dbraw/zinc/92/43/95/359924395.db2.gz IJCHORSGMOEVNZ-MNOVXSKESA-N 0 0 271.357 1.650 50 0 CDAARN O=S1(=O)CCCN1Cc1cccc(-c2cncnc2)c1 ZINC000521398320 359969395 /nfs/dbraw/zinc/96/93/95/359969395.db2.gz JPWBXLXCYJCQSE-UHFFFAOYSA-N 0 0 289.360 1.679 50 0 CDAARN CCO[C@@H](C)c1nccn1CC(=O)NC(C)(C)C ZINC000089521803 360141848 /nfs/dbraw/zinc/14/18/48/360141848.db2.gz KMTKTHQQNGPFPS-JTQLQIEISA-N 0 0 253.346 1.895 50 0 CDAARN CCn1nccc1C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000409420107 360228261 /nfs/dbraw/zinc/22/82/61/360228261.db2.gz YLCJNLIIDSLCPQ-ZDUSSCGKSA-N 0 0 286.335 1.592 50 0 CDAARN CCS(=O)(=O)N1CC(n2ccnc2C(C)C)C1 ZINC000409420071 360228311 /nfs/dbraw/zinc/22/83/11/360228311.db2.gz QPDFKNMTATYXAU-UHFFFAOYSA-N 0 0 257.359 1.213 50 0 CDAARN CCn1cc(-c2noc(CNC(=O)OC(C)(C)C)n2)cn1 ZINC000409421788 360233564 /nfs/dbraw/zinc/23/35/64/360233564.db2.gz RDYLQMLIMILMJE-UHFFFAOYSA-N 0 0 293.327 1.978 50 0 CDAARN NC(=O)[C@H](NCc1cnc(C2CC2)o1)c1ccccc1 ZINC000628201567 360240170 /nfs/dbraw/zinc/24/01/70/360240170.db2.gz LIRPFCDATVVOOW-CYBMUJFWSA-N 0 0 271.320 1.868 50 0 CDAARN O=C(NC1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000011781194 360306192 /nfs/dbraw/zinc/30/61/92/360306192.db2.gz TYXBZKCZTQXSDU-UHFFFAOYSA-N 0 0 297.358 1.964 50 0 CDAARN COCCNc1nc2nonc2nc1NCC(F)(F)F ZINC000011842447 360347647 /nfs/dbraw/zinc/34/76/47/360347647.db2.gz UKSVLICLDMVKHR-UHFFFAOYSA-N 0 0 292.221 1.045 50 0 CDAARN C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C3CC3)CC2)[C@@H]1C ZINC000126025709 360490049 /nfs/dbraw/zinc/49/00/49/360490049.db2.gz QQSQLIUCXRFAQI-IIAWOOMASA-N 0 0 293.455 1.707 50 0 CDAARN Cc1cc([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)c(C)s1 ZINC000089582316 360493618 /nfs/dbraw/zinc/49/36/18/360493618.db2.gz SSRYQAZDVVKHNK-XCBNKYQSSA-N 0 0 267.354 1.224 50 0 CDAARN Cn1nnnc1SCCCS(=O)(=O)c1ccccc1 ZINC000298704188 200510803 /nfs/dbraw/zinc/51/08/03/200510803.db2.gz IPMTZVHDCPNWNY-UHFFFAOYSA-N 0 0 298.393 1.166 50 0 CDAARN CCn1c(C)cc(C(=O)OCC(=O)NC2CC2)c1C ZINC000016694738 360500813 /nfs/dbraw/zinc/50/08/13/360500813.db2.gz HIWDMKMRNIRXPV-UHFFFAOYSA-N 0 0 264.325 1.560 50 0 CDAARN O=C(NCCO)c1c2ccccc2nc2c1CCCC2 ZINC000004523865 360553007 /nfs/dbraw/zinc/55/30/07/360553007.db2.gz RZWJESLLBWVVPW-UHFFFAOYSA-N 0 0 270.332 1.836 50 0 CDAARN CCCN(CCC)C(=O)c1cn(C)c(C)cc1=O ZINC000426503890 360677584 /nfs/dbraw/zinc/67/75/84/360677584.db2.gz BAXUBHMLLUPSNK-UHFFFAOYSA-N 0 0 250.342 1.956 50 0 CDAARN Cc1ccc2nc(C(=O)N3CC[C@@H](CO)C3)c(F)n2c1 ZINC000426512298 360678602 /nfs/dbraw/zinc/67/86/02/360678602.db2.gz QQEUYITYCBEHRQ-SNVBAGLBSA-N 0 0 277.299 1.236 50 0 CDAARN CC(C)[C@H](NC(=O)Cn1ccccc1=O)c1nccn1C ZINC000426529247 360680599 /nfs/dbraw/zinc/68/05/99/360680599.db2.gz IFCCGULHXYNHEY-AWEZNQCLSA-N 0 0 288.351 1.095 50 0 CDAARN COC1CCN(C(=O)c2ccccc2-n2cnnc2)CC1 ZINC000426534039 360680812 /nfs/dbraw/zinc/68/08/12/360680812.db2.gz KDKIIWODVOHGHU-UHFFFAOYSA-N 0 0 286.335 1.518 50 0 CDAARN COCCn1cnnc1[C@@H](C)NC(=O)c1cc(Cl)c[nH]1 ZINC000426593535 360686634 /nfs/dbraw/zinc/68/66/34/360686634.db2.gz BUOCCAPEWDWMID-MRVPVSSYSA-N 0 0 297.746 1.397 50 0 CDAARN CCO[C@@H](C)C(=O)N(C)CCCc1c(C)n[nH]c1C ZINC000426620286 360690309 /nfs/dbraw/zinc/69/03/09/360690309.db2.gz SBDSAECTQLOWAE-LBPRGKRZSA-N 0 0 267.373 1.843 50 0 CDAARN Cc1cc(=O)cc(C(=O)N2CC[C@H](Oc3ccccc3)C2)[nH]1 ZINC000426646981 360691786 /nfs/dbraw/zinc/69/17/86/360691786.db2.gz FZHGVAKMGHREAR-HNNXBMFYSA-N 0 0 298.342 1.977 50 0 CDAARN Cc1cc(=O)c(C(=O)NC[C@H](C)n2ccnc2)c(C)[nH]1 ZINC000426668938 360694214 /nfs/dbraw/zinc/69/42/14/360694214.db2.gz DCOCMHGBGQGCKU-JTQLQIEISA-N 0 0 274.324 1.179 50 0 CDAARN CCOCCCNc1cc([C@H]2CCOC2)nc(C)n1 ZINC000426420407 360668291 /nfs/dbraw/zinc/66/82/91/360668291.db2.gz RULQVTLZBIFBQW-LBPRGKRZSA-N 0 0 265.357 1.549 50 0 CDAARN O=C(c1nc2ccccc2[nH]1)N1CCC[C@H](c2ncon2)C1 ZINC000426421189 360668466 /nfs/dbraw/zinc/66/84/66/360668466.db2.gz PEHFKKGIVJASSN-JTQLQIEISA-N 0 0 297.318 1.966 50 0 CDAARN O=C(NCc1cccc2[nH]ccc21)N1CCOCC1 ZINC000426434826 360669726 /nfs/dbraw/zinc/66/97/26/360669726.db2.gz IUMMHESPICWURR-UHFFFAOYSA-N 0 0 259.309 1.710 50 0 CDAARN O=C(C[C@H]1CCOC1)N1CCC(c2ncon2)CC1 ZINC000426465380 360672705 /nfs/dbraw/zinc/67/27/05/360672705.db2.gz YSNVHNGZXUEZHH-SNVBAGLBSA-N 0 0 265.313 1.202 50 0 CDAARN CCCOCCNC(=O)N1CC(c2ccccn2)C1 ZINC000426689360 360696888 /nfs/dbraw/zinc/69/68/88/360696888.db2.gz YZSYIJMKWUORLA-UHFFFAOYSA-N 0 0 263.341 1.617 50 0 CDAARN COc1ccc(OC(C)C)c(N[C@H]2CCNC2=O)c1 ZINC000178992845 189160015 /nfs/dbraw/zinc/16/00/15/189160015.db2.gz INMVPRMWIRDZEJ-NSHDSACASA-N 0 0 264.325 1.783 50 0 CDAARN COc1ccc(C(=O)N[C@@H]2CCOC2)c(OC)c1 ZINC000179012560 189161728 /nfs/dbraw/zinc/16/17/28/189161728.db2.gz AFFDNYZRPJTTDL-SECBINFHSA-N 0 0 251.282 1.223 50 0 CDAARN COC(=O)N1CCC[C@H]1C(=O)N1CCC(C)CC1 ZINC000036107353 360934981 /nfs/dbraw/zinc/93/49/81/360934981.db2.gz JODJFSUWBPTHOT-NSHDSACASA-N 0 0 254.330 1.476 50 0 CDAARN Cc1cc(C(=O)NCc2nc(CC(C)C)no2)nc(C)n1 ZINC000299758108 200859561 /nfs/dbraw/zinc/85/95/61/200859561.db2.gz CCOWOROVBMKOCN-UHFFFAOYSA-N 0 0 289.339 1.605 50 0 CDAARN CCc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 ZINC000012807743 361061099 /nfs/dbraw/zinc/06/10/99/361061099.db2.gz FNONFVNSWDLBHX-UHFFFAOYSA-N 0 0 274.364 1.991 50 0 CDAARN CC(C)C[C@@H](NC(=O)CNC(=O)N(C)C)c1cccnc1 ZINC000299794630 200876821 /nfs/dbraw/zinc/87/68/21/200876821.db2.gz LUKGZYZBZTYGNA-CYBMUJFWSA-N 0 0 292.383 1.556 50 0 CDAARN COCCN1C[C@H](Cc2cccc(C(C)=O)c2)CC1=O ZINC000299799096 200879889 /nfs/dbraw/zinc/87/98/89/200879889.db2.gz QLKMSTNJWYHKHB-CQSZACIVSA-N 0 0 275.348 1.927 50 0 CDAARN Cc1scc(C(=O)NCC2(CO)CCOCC2)c1C ZINC000180446906 189255813 /nfs/dbraw/zinc/25/58/13/189255813.db2.gz VEHBQBXDWVHQRZ-UHFFFAOYSA-N 0 0 283.393 1.884 50 0 CDAARN C[C@H]1SCCN(C(=O)c2nccn3ccnc23)[C@@H]1C ZINC000081049711 291259221 /nfs/dbraw/zinc/25/92/21/291259221.db2.gz CMSHPKAEKKJXQM-NXEZZACHSA-N 0 0 276.365 1.695 50 0 CDAARN CN(C)c1ncc(C(=O)Nc2ccc3c(c2)OCO3)cn1 ZINC000015777768 361370779 /nfs/dbraw/zinc/37/07/79/361370779.db2.gz ZIPRFTCJWFIICN-UHFFFAOYSA-N 0 0 286.291 1.524 50 0 CDAARN O=C(c1cnccn1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183670536 189365694 /nfs/dbraw/zinc/36/56/94/189365694.db2.gz DMPGYCSVIOFMMX-CYBMUJFWSA-N 0 0 287.294 1.909 50 0 CDAARN Cn1ncc2c1ncnc2NCc1ccc2c(c1)OCCO2 ZINC000012876870 363795617 /nfs/dbraw/zinc/79/56/17/363795617.db2.gz HTZJDVMUDXVCFM-UHFFFAOYSA-N 0 0 297.318 1.747 50 0 CDAARN CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN([C@H](C)CC)C(=O)[C@H]13)O2 ZINC000005164494 361571740 /nfs/dbraw/zinc/57/17/40/361571740.db2.gz KTPGBONFTJRHGT-XRMRDTNMSA-N 0 0 293.363 1.520 50 0 CDAARN Cc1ccc(C(=O)N2CCC[C@@](O)(CO)C2)cc1F ZINC000219512572 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/nfs/dbraw/zinc/25/31/96/177253196.db2.gz YWERHEUBGSCICS-LBPRGKRZSA-N 0 0 288.351 1.459 50 0 CDAARN CN(Cc1cccc2ncccc12)C(=O)CN1CCOC1=O ZINC000077357138 177256831 /nfs/dbraw/zinc/25/68/31/177256831.db2.gz SJMKJOSLEPSJDB-UHFFFAOYSA-N 0 0 299.330 1.645 50 0 CDAARN CCOc1ncccc1CNC(=O)CCc1cnn(C)c1 ZINC000077591011 177283069 /nfs/dbraw/zinc/28/30/69/177283069.db2.gz SMNJCSFAONIIMW-UHFFFAOYSA-N 0 0 288.351 1.463 50 0 CDAARN O=C(NCCc1c[nH]cn1)[C@H]1COc2ccccc2C1 ZINC000078740548 177379778 /nfs/dbraw/zinc/37/97/78/177379778.db2.gz NQABZUYRQDXVCG-GFCCVEGCSA-N 0 0 271.320 1.320 50 0 CDAARN Cc1cnc(NC(=O)CNc2nc(C)cc(C)n2)s1 ZINC000079502636 177507826 /nfs/dbraw/zinc/50/78/26/177507826.db2.gz NSSUFTLZVKVRIF-UHFFFAOYSA-N 0 0 277.353 1.909 50 0 CDAARN O=C(NCCc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 ZINC000021072507 260120688 /nfs/dbraw/zinc/12/06/88/260120688.db2.gz FRJJMVUCZUHABM-HNNXBMFYSA-N 0 0 285.347 1.710 50 0 CDAARN COCCCNS(=O)(=O)c1ccc(OC)c(F)c1 ZINC000030288678 260139867 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270975577 /nfs/dbraw/zinc/97/55/77/270975577.db2.gz GNEROXPWIHYELM-COMAGPEQSA-N 0 0 292.335 1.273 50 0 CDAARN O=C(N[C@@H]1Cc2ccccc2NC1=O)[C@@H]1CC1(F)F ZINC000529945706 271074503 /nfs/dbraw/zinc/07/45/03/271074503.db2.gz RWZIMUPZLMKRPG-WCBMZHEXSA-N 0 0 266.247 1.321 50 0 CDAARN CC(=O)N1CCSc2nnc(-c3ccco3)n21 ZINC000034924339 275770555 /nfs/dbraw/zinc/77/05/55/275770555.db2.gz AGLPCVVQQSSWRQ-UHFFFAOYSA-N 0 0 250.283 1.128 50 0 CDAARN CC(Nc1cccc(F)c1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000016955751 275800555 /nfs/dbraw/zinc/80/05/55/275800555.db2.gz PNUVJZDLVLUBKW-UHFFFAOYSA-N 0 0 291.282 1.562 50 0 CDAARN CC1(C)Cc2c(sc3[nH]c(=NN)n4ncnc4c23)CO1 ZINC000000497271 276150428 /nfs/dbraw/zinc/15/04/28/276150428.db2.gz DGCVLGPFTACMDI-UHFFFAOYSA-N 0 0 290.352 1.476 50 0 CDAARN CC1(C)Cc2c(sc3ncn4c(=O)[nH]nc4c23)CO1 ZINC000000497085 276150433 /nfs/dbraw/zinc/15/04/33/276150433.db2.gz OLZFKJZMLRLWBJ-UHFFFAOYSA-N 0 0 276.321 1.484 50 0 CDAARN CC[C@@H](O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1 ZINC000065406527 276442346 /nfs/dbraw/zinc/44/23/46/276442346.db2.gz AOTMRPUKTFOENC-CYBMUJFWSA-N 0 0 278.400 1.838 50 0 CDAARN COC(=O)[C@H]1Cc2c([nH]c3ccccc32)CN1C(C)=O ZINC000000486309 277139931 /nfs/dbraw/zinc/13/99/31/277139931.db2.gz FXQZLCIYBPSROR-CQSZACIVSA-N 0 0 272.304 1.614 50 0 biogenic CDAARN CC(C)(C)OC(=O)N1CC(N2CCC(F)(F)C2)C1 ZINC000072267095 277179085 /nfs/dbraw/zinc/17/90/85/277179085.db2.gz JCSMXSJXCVDXDS-UHFFFAOYSA-N 0 0 262.300 1.947 50 0 CDAARN CC(C)(C)OC(=O)N1C[C@H]2CCCNC(=O)[C@@H]2C1 ZINC000072233488 277195877 /nfs/dbraw/zinc/19/58/77/277195877.db2.gz QBRUMDRDBHWUMR-NXEZZACHSA-N 0 0 254.330 1.380 50 0 CDAARN CNC(=S)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000005936290 277262669 /nfs/dbraw/zinc/26/26/69/277262669.db2.gz WUWXRMXDUHBCSR-ZCFIWIBFSA-N 0 0 283.422 1.888 50 0 CDAARN COc1cc(-c2ccnc3c2ccn3C)nc(N)n1 ZINC000072477995 277793131 /nfs/dbraw/zinc/79/31/31/277793131.db2.gz PPVRZZQHCMMQSY-UHFFFAOYSA-N 0 0 255.281 1.621 50 0 CDAARN COc1cc(N[C@@H]2c3cccc(C)c3NC2=O)ncn1 ZINC000102400013 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ZINC000086017094 179216787 /nfs/dbraw/zinc/21/67/87/179216787.db2.gz WIPGTTLFXDGMLT-UHFFFAOYSA-N 0 0 250.283 1.202 50 0 CDAARN O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)cc1 ZINC000086062887 179223917 /nfs/dbraw/zinc/22/39/17/179223917.db2.gz NJAQDBRVXLKKBX-SNVBAGLBSA-N 0 0 277.295 1.993 50 0 CDAARN C[C@H](CO[C@H]1CCOC1)NC(=O)N1CCCSCC1 ZINC000128520998 187374848 /nfs/dbraw/zinc/37/48/48/187374848.db2.gz DBRVJZJVVHXAQQ-NEPJUHHUSA-N 0 0 288.413 1.329 50 0 CDAARN CC(C)CCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000103066638 185805364 /nfs/dbraw/zinc/80/53/64/185805364.db2.gz VOAXHMLWLULAHG-RYUDHWBXSA-N 0 0 280.368 1.324 50 0 CDAARN O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1 ZINC000103066247 185805436 /nfs/dbraw/zinc/80/54/36/185805436.db2.gz CUMNSIUNAANNOJ-STQMWFEESA-N 0 0 284.315 1.576 50 0 CDAARN C[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000013595022 365942948 /nfs/dbraw/zinc/94/29/48/365942948.db2.gz HEKSXXZFXQGTTI-SSDOTTSWSA-N 0 0 287.146 1.954 50 0 CDAARN CC(C)=C(F)C(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000583620466 365949725 /nfs/dbraw/zinc/94/97/25/365949725.db2.gz ZJGXBQVKFKZNRX-UTUOFQBUSA-N 0 0 271.332 1.638 50 0 CDAARN O[C@H](Cc1nc([C@@H]2CCOC2)no1)c1ccccc1 ZINC000087809655 179489761 /nfs/dbraw/zinc/48/97/61/179489761.db2.gz IBWADTIMEBQVIN-VXGBXAGGSA-N 0 0 260.293 1.850 50 0 CDAARN O=c1cc(CS(=O)(=O)c2ccccc2)occ1O ZINC000019849649 348745224 /nfs/dbraw/zinc/74/52/24/348745224.db2.gz IEBCAWRQRLOQMD-UHFFFAOYSA-N 0 0 266.274 1.319 50 0 CDAARN CNS(=O)(=O)c1ccccc1[C@@H](O)C(C)(C)C ZINC000019878351 348745266 /nfs/dbraw/zinc/74/52/66/348745266.db2.gz DSNODYVYPBHREU-LLVKDONJSA-N 0 0 257.355 1.674 50 0 CDAARN COc1coc(CS(=O)(=O)c2ccccc2)cc1=O ZINC000019928428 348746126 /nfs/dbraw/zinc/74/61/26/348746126.db2.gz NDECFFXSMVTBQV-UHFFFAOYSA-N 0 0 280.301 1.622 50 0 CDAARN CCCn1cc(CN(C)[C@H](C)C(=O)N(C)C)c(C)n1 ZINC000230579543 348756744 /nfs/dbraw/zinc/75/67/44/348756744.db2.gz CHCNHUSMJHBPFZ-GFCCVEGCSA-N 0 0 266.389 1.510 50 0 CDAARN CCC1=NO[C@H](Cn2cnc3cccc(OC)c3c2=O)C1 ZINC000584896069 349357349 /nfs/dbraw/zinc/35/73/49/349357349.db2.gz XRZCTSSYXJWMDZ-NSHDSACASA-N 0 0 287.319 1.960 50 0 CDAARN COCC[C@@H]1CN(C(=O)CCc2[nH]nc(C)c2C)CCO1 ZINC000584896821 349358066 /nfs/dbraw/zinc/35/80/66/349358066.db2.gz INSIJVVEQJLDEK-CYBMUJFWSA-N 0 0 295.383 1.223 50 0 CDAARN CNC(=O)CCC(C)(C)NC(=O)c1ccncc1Cl ZINC000584884847 349343180 /nfs/dbraw/zinc/34/31/80/349343180.db2.gz ZMBJJHIIOAWBEF-UHFFFAOYSA-N 0 0 283.759 1.770 50 0 CDAARN Cc1n[nH]cc1CN(C)C(=O)CCn1c(C)cccc1=O ZINC000584889560 349348914 /nfs/dbraw/zinc/34/89/14/349348914.db2.gz OVVZIRDUFSTQKO-UHFFFAOYSA-N 0 0 288.351 1.237 50 0 CDAARN NC(=O)C1(n2cnc3ccc(F)cc3c2=O)CCCC1 ZINC000584891564 349350127 /nfs/dbraw/zinc/35/01/27/349350127.db2.gz PWJRHLVNTCGBEW-UHFFFAOYSA-N 0 0 275.283 1.290 50 0 CDAARN O=C(NCc1cc(C2CC2)n[nH]1)c1cncc(F)c1 ZINC000584892228 349350933 /nfs/dbraw/zinc/35/09/33/349350933.db2.gz DGGHKTVEXHQILU-UHFFFAOYSA-N 0 0 260.272 1.751 50 0 CDAARN CCC[C@H](NC(C)=O)C(=O)NCc1cncn1C1CC1 ZINC000584898623 349360415 /nfs/dbraw/zinc/36/04/15/349360415.db2.gz MMDNCETUILPZHQ-ZDUSSCGKSA-N 0 0 278.356 1.139 50 0 CDAARN COc1ccnc(C(=O)N2CCc3[nH]nc(C)c3C2)c1 ZINC000584900615 349362203 /nfs/dbraw/zinc/36/22/03/349362203.db2.gz KRTKUZYETCSYOJ-UHFFFAOYSA-N 0 0 272.308 1.320 50 0 CDAARN CCc1ccc(C(=O)N[C@H](C)c2nc(N)n[nH]2)s1 ZINC000584900252 349362290 /nfs/dbraw/zinc/36/22/90/349362290.db2.gz QYZMUUCNCPIOCC-ZCFIWIBFSA-N 0 0 265.342 1.332 50 0 CDAARN CCn1cncc1CNC(=O)c1cnn2cc(C)cnc12 ZINC000065370345 362947133 /nfs/dbraw/zinc/94/71/33/362947133.db2.gz XQQONVLYZSZPSX-UHFFFAOYSA-N 0 0 284.323 1.184 50 0 CDAARN CCCCS(=O)(=O)N1CCC(Oc2cnccn2)CC1 ZINC000090678154 180023101 /nfs/dbraw/zinc/02/31/01/180023101.db2.gz XBNQASUDXYYIKR-UHFFFAOYSA-N 0 0 299.396 1.450 50 0 CDAARN CCc1ccc(CC)c(NC(=O)NC[C@H](O)CO)c1 ZINC000091179889 180108822 /nfs/dbraw/zinc/10/88/22/180108822.db2.gz KMORQWVLRLAWRP-LBPRGKRZSA-N 0 0 266.341 1.286 50 0 CDAARN CCCn1ncc(C(=O)N2CC(C)(C)[C@](C)(O)C2)c1C ZINC000091288959 180121637 /nfs/dbraw/zinc/12/16/37/180121637.db2.gz YDAYTHPMHHRZQT-OAHLLOKOSA-N 0 0 279.384 1.835 50 0 CDAARN OCCOc1ccccc1-c1cn(Cc2ccccn2)nn1 ZINC000091440936 180156691 /nfs/dbraw/zinc/15/66/91/180156691.db2.gz DAFUEMQABQACNC-UHFFFAOYSA-N 0 0 296.330 1.760 50 0 CDAARN Cc1cc(NCCS(=O)(=O)c2ccccc2)nc(C)n1 ZINC000091460088 180161655 /nfs/dbraw/zinc/16/16/55/180161655.db2.gz HBUSJJHPPBTCNB-UHFFFAOYSA-N 0 0 291.376 1.979 50 0 CDAARN CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(c1ncccn1)C2 ZINC000091391084 180144579 /nfs/dbraw/zinc/14/45/79/180144579.db2.gz UMCLGQVHGOWOLN-UONOGXRCSA-N 0 0 286.379 1.870 50 0 CDAARN O=C([O-])c1ccc(C[C@@H]2CC[N@@H+](CCCO)C2)cc1 ZINC000091585773 180199441 /nfs/dbraw/zinc/19/94/41/180199441.db2.gz NPXKOHRGJATTSE-ZDUSSCGKSA-N 0 0 263.337 1.632 50 0 CDAARN Cc1cc(C)c(C(=O)N[C@@H]2COC3(CCCC3)C2)c(=O)[nH]1 ZINC000091663052 180220223 /nfs/dbraw/zinc/22/02/23/180220223.db2.gz PHLJYKICGXILHG-LBPRGKRZSA-N 0 0 290.363 1.823 50 0 CDAARN Cc1ccc2nc(C(=O)NCCCn3ccnn3)cn2c1 ZINC000091625402 180209411 /nfs/dbraw/zinc/20/94/11/180209411.db2.gz GREDJCBTJDXGAX-UHFFFAOYSA-N 0 0 284.323 1.054 50 0 CDAARN CCC[C@]1(CO)CCCN(C(=O)Cn2cc(C)cn2)C1 ZINC000091769838 180249864 /nfs/dbraw/zinc/24/98/64/180249864.db2.gz DECYQPCSRCDMJK-HNNXBMFYSA-N 0 0 279.384 1.593 50 0 CDAARN C[C@@H]1CN(C(=O)c2cccs2)C[C@@]1(O)C1CC1 ZINC000091793581 180257093 /nfs/dbraw/zinc/25/70/93/180257093.db2.gz CQEIDSAAJNATNF-RNCFNFMXSA-N 0 0 251.351 1.981 50 0 CDAARN CC(C)(CNc1ccc(OC(F)F)cn1)S(C)(=O)=O ZINC000091733113 180243244 /nfs/dbraw/zinc/24/32/44/180243244.db2.gz WVJFXHIRNFPVOC-UHFFFAOYSA-N 0 0 294.323 1.918 50 0 CDAARN Cc1ccc(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)o1 ZINC000091998108 180302762 /nfs/dbraw/zinc/30/27/62/180302762.db2.gz PFTHLYBZUXLVKI-LBPRGKRZSA-N 0 0 292.379 1.894 50 0 CDAARN CCNC(=O)N1C[C@@H](c2ccc(C)o2)[C@H](NC(C)=O)C1 ZINC000091997240 180303012 /nfs/dbraw/zinc/30/30/12/180303012.db2.gz DYIQKPDGBYFILE-VXGBXAGGSA-N 0 0 279.340 1.221 50 0 CDAARN COCCN1C[C@H](c2nc(C(C)C)no2)CCC1=O ZINC000092020036 180308015 /nfs/dbraw/zinc/30/80/15/180308015.db2.gz RGGRLAUGNITWGT-SNVBAGLBSA-N 0 0 267.329 1.545 50 0 CDAARN CC[C@@H](C(=O)NCCCNc1cccnc1)n1cccn1 ZINC000092028133 180309098 /nfs/dbraw/zinc/30/90/98/180309098.db2.gz MVHLQRGHDOKZQR-AWEZNQCLSA-N 0 0 287.367 1.848 50 0 CDAARN Cc1cc(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)n(C)n1 ZINC000092078493 180318400 /nfs/dbraw/zinc/31/84/00/180318400.db2.gz SKYGVODFMQKUTE-MRXNPFEDSA-N 0 0 291.395 1.743 50 0 CDAARN CCNc1ncc(C(=O)N2CCSCC2)cn1 ZINC000092078680 180318714 /nfs/dbraw/zinc/31/87/14/180318714.db2.gz ZUSITFPGMRUACC-UHFFFAOYSA-N 0 0 252.343 1.097 50 0 CDAARN CC[C@H]1CN(CC(=O)N[C@H](C)c2ccco2)CCO1 ZINC000105719253 186069389 /nfs/dbraw/zinc/06/93/89/186069389.db2.gz GHCBRWMHBLZVMK-NEPJUHHUSA-N 0 0 266.341 1.568 50 0 CDAARN CC(C)[C@@H](CO)NC(=O)c1ccc(N(C)C)cc1 ZINC000092404891 180379061 /nfs/dbraw/zinc/37/90/61/180379061.db2.gz PGSRDNKDBWIQML-CYBMUJFWSA-N 0 0 250.342 1.499 50 0 CDAARN CS[C@@H]1CCC[C@@H]1[N@H+](C)Cc1cc(=O)n2[n-]ccc2n1 ZINC000107146016 186160488 /nfs/dbraw/zinc/16/04/88/186160488.db2.gz WXYXYINOLNBEIT-NWDGAFQWSA-N 0 0 292.408 1.739 50 0 CDAARN CC(C)Oc1ccccc1[C@H]1CC2(C)NC(=O)C1C(=O)N2 ZINC000062001795 362967106 /nfs/dbraw/zinc/96/71/06/362967106.db2.gz HFNXVBGZNCAKKT-FFKNIBCLSA-N 0 0 288.347 1.540 50 0 biogenic CDAARN C[C@@H]1C[C@@H](CNC(=O)NC[C@H]2CCCO2)CCO1 ZINC000108157706 186206935 /nfs/dbraw/zinc/20/69/35/186206935.db2.gz QVQQJEIDBPKKHG-GRYCIOLGSA-N 0 0 256.346 1.280 50 0 CDAARN c1[nH]nc2ccc(Nc3ccc4nnnn4n3)cc12 ZINC000012510652 351151515 /nfs/dbraw/zinc/15/15/15/351151515.db2.gz VLVCUZBBKNNSMF-UHFFFAOYSA-N 0 0 252.241 1.139 50 0 CDAARN O=C(NCCOC1CCCCCC1)N1CCNC(=O)CC1 ZINC000118586577 186777873 /nfs/dbraw/zinc/77/78/73/186777873.db2.gz GKZHOTTXSNLKSA-UHFFFAOYSA-N 0 0 297.399 1.257 50 0 CDAARN Cc1ccccc1Cc1nc([C@H]2COCCN2)no1 ZINC000096001427 351469389 /nfs/dbraw/zinc/46/93/89/351469389.db2.gz SAIAIQDOUKAHFJ-GFCCVEGCSA-N 0 0 259.309 1.630 50 0 CDAARN CN1CC[C@H](NC(=O)c2ccc(-c3cnccn3)cc2)C1=O ZINC000426361701 358464535 /nfs/dbraw/zinc/46/45/35/358464535.db2.gz NXTZEKNEQXLJBJ-ZDUSSCGKSA-N 0 0 296.330 1.104 50 0 CDAARN Cn1cnnc1C[S@](=O)c1ccc2c(c1)OCCCO2 ZINC000123354874 187086409 /nfs/dbraw/zinc/08/64/09/187086409.db2.gz KPXODMIKKZTBJU-HXUWFJFHSA-N 0 0 293.348 1.284 50 0 CDAARN Cc1cnc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cn1 ZINC000003575757 363173923 /nfs/dbraw/zinc/17/39/23/363173923.db2.gz FTWYRUDQSCJRPT-CMPLNLGQSA-N 0 0 291.351 1.637 50 0 CDAARN CCOC(=O)NC(=O)COC(=O)C=Cc1ccccc1 ZINC000003390760 363158109 /nfs/dbraw/zinc/15/81/09/363158109.db2.gz XRPFCLRDCVYPRX-CMDGGOBGSA-N 0 0 277.276 1.516 50 0 CDAARN CN(CCc1cnccn1)C(=O)N[C@@H]1CC=CCC1 ZINC000271564958 191214975 /nfs/dbraw/zinc/21/49/75/191214975.db2.gz OXKBLVXDIUJYLD-GFCCVEGCSA-N 0 0 260.341 1.769 50 0 CDAARN Cc1ccc([C@H]2CCCN2S(=O)(=O)[C@H]2CCOC2)o1 ZINC000265588461 363347840 /nfs/dbraw/zinc/34/78/40/363347840.db2.gz ZBFGLQPUJWEWFH-NWDGAFQWSA-N 0 0 285.365 1.844 50 0 CDAARN NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCO2 ZINC000000311702 355903556 /nfs/dbraw/zinc/90/35/56/355903556.db2.gz ZSIZQLUODWGPIY-UHFFFAOYSA-N 0 0 284.271 1.767 50 0 CDAARN COc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000000314338 355903681 /nfs/dbraw/zinc/90/36/81/355903681.db2.gz KKHJKZINKGURIX-QPJJXVBHSA-N 0 0 288.347 1.432 50 0 CDAARN O=C(c1ccco1)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000000317966 355904483 /nfs/dbraw/zinc/90/44/83/355904483.db2.gz WZBLZIJGNBJHHN-UHFFFAOYSA-N 0 0 291.351 1.643 50 0 CDAARN NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000001569058 355940083 /nfs/dbraw/zinc/94/00/83/355940083.db2.gz PDXFRYXZDLBGGJ-UHFFFAOYSA-N 0 0 275.544 1.799 50 0 CDAARN Cc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000000361850 355906284 /nfs/dbraw/zinc/90/62/84/355906284.db2.gz FQDURWFHQIUQOS-VXGBXAGGSA-N 0 0 269.366 1.793 50 0 CDAARN NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000000378993 355907147 /nfs/dbraw/zinc/90/71/47/355907147.db2.gz IDDVFMPNPUYQQM-VOTSOKGWSA-N 0 0 258.321 1.424 50 0 CDAARN 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O=C(CCn1cncn1)Nc1nc(-c2ccc[nH]2)cs1 ZINC000023763314 356649221 /nfs/dbraw/zinc/64/92/21/356649221.db2.gz AYYAVTCMAKWFRP-UHFFFAOYSA-N 0 0 288.336 1.759 50 0 CDAARN COC(=O)c1ccoc1COc1ccccc1C(N)=O ZINC000023392835 356641444 /nfs/dbraw/zinc/64/14/44/356641444.db2.gz TUIUIQHXAQVEBA-UHFFFAOYSA-N 0 0 275.260 1.744 50 0 CDAARN O=C(NCc1nnc(-c2ccncc2)[nH]1)c1ccsc1 ZINC000139005011 538496261 /nfs/dbraw/zinc/49/62/61/538496261.db2.gz MRUFEUOACGKLRN-UHFFFAOYSA-N 0 0 285.332 1.858 50 0 CDAARN CC(C)c1cc(NC(=O)CN2CCOCC2)on1 ZINC000024216055 356654333 /nfs/dbraw/zinc/65/43/33/356654333.db2.gz QLCXTTQYCMDSHS-UHFFFAOYSA-N 0 0 253.302 1.069 50 0 CDAARN Cc1ccccc1C(=O)NCCC(=O)N1CCCC1 ZINC000024583475 356658570 /nfs/dbraw/zinc/65/85/70/356658570.db2.gz DFLFQMIIDWOZFI-UHFFFAOYSA-N 0 0 260.337 1.737 50 0 CDAARN O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CC1 ZINC000024593001 356658588 /nfs/dbraw/zinc/65/85/88/356658588.db2.gz AMLVMBPUCKDCIU-UHFFFAOYSA-N 0 0 260.215 1.146 50 0 CDAARN CC(C)C[C@H]1NC(=O)N(C[C@H](O)c2ccc(F)cc2)C1=O ZINC000025224626 356670237 /nfs/dbraw/zinc/67/02/37/356670237.db2.gz SOSDJLZPVOWZHN-OLZOCXBDSA-N 0 0 294.326 1.826 50 0 CDAARN C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)C1CC1 ZINC000025592739 356679046 /nfs/dbraw/zinc/67/90/46/356679046.db2.gz CZIINLNTJPQESW-SECBINFHSA-N 0 0 261.325 1.383 50 0 CDAARN Cc1nnc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)s1 ZINC000024978875 356664687 /nfs/dbraw/zinc/66/46/87/356664687.db2.gz AGFMCMFLCPGMFS-YFKPBYRVSA-N 0 0 297.413 1.533 50 0 CDAARN NC(=O)c1cnc(NC(=O)c2ccc(F)cc2)s1 ZINC000024975443 356664818 /nfs/dbraw/zinc/66/48/18/356664818.db2.gz OHCOJKJAEGZKLN-UHFFFAOYSA-N 0 0 265.269 1.633 50 0 CDAARN COC(=O)c1cnn(-c2ccc(Cl)cc2)c1N ZINC000026421832 356692248 /nfs/dbraw/zinc/69/22/48/356692248.db2.gz SKWPKQFDGNJKAN-UHFFFAOYSA-N 0 0 251.673 1.895 50 0 CDAARN COc1ccc(CCNC(=O)CN2CCO[C@H](C)C2)cc1 ZINC000025755761 356682684 /nfs/dbraw/zinc/68/26/84/356682684.db2.gz PBAFRGFHNSIPKU-CYBMUJFWSA-N 0 0 292.379 1.075 50 0 CDAARN CONC(=O)CCc1c(C)nn(CC(C)C)c1C ZINC000025825059 356683157 /nfs/dbraw/zinc/68/31/57/356683157.db2.gz FKCWAAUEZWAPAF-UHFFFAOYSA-N 0 0 253.346 1.766 50 0 CDAARN CONC(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC000025826738 356683472 /nfs/dbraw/zinc/68/34/72/356683472.db2.gz WUFFZZYQAKQWQW-VIFPVBQESA-N 0 0 266.272 1.165 50 0 CDAARN CC[C@@H]1CN(Cc2cc(=O)n3c(C)csc3n2)CCO1 ZINC000027115726 356704229 /nfs/dbraw/zinc/70/42/29/356704229.db2.gz VLPRITLXYMNWAE-GFCCVEGCSA-N 0 0 293.392 1.675 50 0 CDAARN Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000028326405 356719142 /nfs/dbraw/zinc/71/91/42/356719142.db2.gz WHLBEIHQGDJRRC-PWSUYJOCSA-N 0 0 287.356 1.980 50 0 CDAARN CN(C)C(=O)C[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000028899851 356727617 /nfs/dbraw/zinc/72/76/17/356727617.db2.gz DGGIWIIJTLJDEK-UHFFFAOYSA-N 0 0 263.341 1.035 50 0 CDAARN CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(Cl)s1 ZINC000029170590 356731167 /nfs/dbraw/zinc/73/11/67/356731167.db2.gz FXWKCJDZUBYGSY-SECBINFHSA-N 0 0 289.788 1.711 50 0 CDAARN C[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CCCO1 ZINC000027867728 356714059 /nfs/dbraw/zinc/71/40/59/356714059.db2.gz XJMFAHZHZIMWEO-SKDRFNHKSA-N 0 0 290.319 1.315 50 0 CDAARN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000032904143 356789758 /nfs/dbraw/zinc/78/97/58/356789758.db2.gz QRICAVWHKYEMDQ-GFCCVEGCSA-N 0 0 282.384 1.130 50 0 CDAARN CCOC(=O)C1=C(O)CCN1C(=O)OC(C)(C)C ZINC000034607376 356817509 /nfs/dbraw/zinc/81/75/09/356817509.db2.gz XSFVPTGDKAJZDH-VIFPVBQESA-N 0 0 257.286 1.128 50 0 CDAARN Cc1csc2c1ncn(CCc1nncn1C)c2=O ZINC000032541629 356781735 /nfs/dbraw/zinc/78/17/35/356781735.db2.gz VRUAUKCOCQHKBO-UHFFFAOYSA-N 0 0 275.337 1.138 50 0 CDAARN Cc1sc2ncn([C@@H](C)Cn3cncn3)c(=O)c2c1C ZINC000032578263 356783055 /nfs/dbraw/zinc/78/30/55/356783055.db2.gz JLOQNGRDFXNLLM-QMMMGPOBSA-N 0 0 289.364 1.928 50 0 CDAARN Cc1n[nH]c(C)c1CCCn1cnc2cnccc2c1=O ZINC000032603445 356783868 /nfs/dbraw/zinc/78/38/68/356783868.db2.gz NHHNUCGXLPNGJA-UHFFFAOYSA-N 0 0 283.335 1.764 50 0 CDAARN CCOc1cc(S(=O)(=O)NC[C@@H](C)O)c(C)cc1C ZINC000036638821 356875689 /nfs/dbraw/zinc/87/56/89/356875689.db2.gz NUXRTXWETDJTSS-LLVKDONJSA-N 0 0 287.381 1.361 50 0 CDAARN O=C(Nc1ccc(=O)[nH]n1)c1cc(=O)[nH]c2ccccc21 ZINC000187435689 356850225 /nfs/dbraw/zinc/85/02/25/356850225.db2.gz FZOCEIMLNXDNMW-UHFFFAOYSA-N 0 0 282.259 1.688 50 0 CDAARN COC(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000035959607 356853279 /nfs/dbraw/zinc/85/32/79/356853279.db2.gz PEFRKIAHTKYYKV-SNVBAGLBSA-N 0 0 251.257 1.347 50 0 CDAARN O=C(NC[C@H](c1ccco1)N1CCOCC1)NC1CC1 ZINC000036075771 356858403 /nfs/dbraw/zinc/85/84/03/356858403.db2.gz CKWHWDZPUYDGFN-GFCCVEGCSA-N 0 0 279.340 1.115 50 0 CDAARN O=C1C[C@H]2[C@H](CC(=O)O[C@H]2COCc2ccccc2)O1 ZINC000071772807 356919397 /nfs/dbraw/zinc/91/93/97/356919397.db2.gz HSLGVLAJYYNLQC-AVGNSLFASA-N 0 0 276.288 1.450 50 0 CDAARN O=c1cc(CN2CCc3ccccc3C2)occ1O ZINC000041127953 357023916 /nfs/dbraw/zinc/02/39/16/357023916.db2.gz MHSHKYQGEAQPMA-UHFFFAOYSA-N 0 0 257.289 1.904 50 0 biogenic CDAARN COC[C@@H](CCO)NC(=O)CCCc1ccccc1 ZINC000083897868 357110553 /nfs/dbraw/zinc/11/05/53/357110553.db2.gz YXVKCTXSSZWYHL-CQSZACIVSA-N 0 0 265.353 1.523 50 0 CDAARN O=C(N[C@H]1CCSc2ccc(F)cc21)[C@H]1COCCO1 ZINC000048110310 357172635 /nfs/dbraw/zinc/17/26/35/357172635.db2.gz NCNHIQZEYQICRQ-NWDGAFQWSA-N 0 0 297.351 1.894 50 0 CDAARN CC(=O)NCCOc1cccc(Br)c1 ZINC000047345901 357155475 /nfs/dbraw/zinc/15/54/75/357155475.db2.gz MLWKUWLRVOVGBC-UHFFFAOYSA-N 0 0 258.115 1.964 50 0 CDAARN Cc1cc(NC(=O)CNC(N)=O)ccc1Br ZINC000033026979 357211203 /nfs/dbraw/zinc/21/12/03/357211203.db2.gz AWRVZDZWPSEVRT-UHFFFAOYSA-N 0 0 286.129 1.364 50 0 CDAARN CCCCNC(=O)CNC(=O)OCc1ccccc1 ZINC000049398145 357214811 /nfs/dbraw/zinc/21/48/11/357214811.db2.gz SDXXZHZRBSSKNU-UHFFFAOYSA-N 0 0 264.325 1.829 50 0 CDAARN CCOC(=O)c1sc(NC(=O)c2ccn(C)n2)nc1C ZINC000013667465 357237928 /nfs/dbraw/zinc/23/79/28/357237928.db2.gz RKJNMISHPZQGPH-UHFFFAOYSA-N 0 0 294.336 1.614 50 0 CDAARN COCC[NH2+][C@H](C(=O)[O-])c1ccccc1Br 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NC(=O)c1ccc(CSc2cccc[n+]2[O-])cc1 ZINC000011164054 357378696 /nfs/dbraw/zinc/37/86/96/357378696.db2.gz BUPMISQIFWMGHL-UHFFFAOYSA-N 0 0 260.318 1.711 50 0 CDAARN O=C(CCc1ccc(F)cc1)NCCCN1CCOCC1 ZINC000060866767 357446049 /nfs/dbraw/zinc/44/60/49/357446049.db2.gz ODTWRQBKOWDBBH-UHFFFAOYSA-N 0 0 294.370 1.597 50 0 CDAARN O=c1[nH]ncc(N2CC[C@@]3(CCOC3)C2)c1Cl ZINC000096462111 357478164 /nfs/dbraw/zinc/47/81/64/357478164.db2.gz DLRIWXPCQLIAAT-LLVKDONJSA-N 0 0 255.705 1.452 50 0 CDAARN CCCCN(C(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000004504320 357489984 /nfs/dbraw/zinc/48/99/84/357489984.db2.gz FLPOHAWCBUQQJK-NSHDSACASA-N 0 0 259.371 1.212 50 0 CDAARN Cc1cc(C(=O)NCC(C)C)ccc1N(C)S(C)(=O)=O ZINC000065363024 357530786 /nfs/dbraw/zinc/53/07/86/357530786.db2.gz XQGYKKUOSPDQEO-UHFFFAOYSA-N 0 0 298.408 1.777 50 0 CDAARN COCC1(C(=O)NCCc2cnc3ccccn23)CCC1 ZINC000065371259 357532064 /nfs/dbraw/zinc/53/20/64/357532064.db2.gz KENQXFOOAGSHNH-UHFFFAOYSA-N 0 0 287.363 1.810 50 0 CDAARN COCC1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CCC1 ZINC000065381455 357534658 /nfs/dbraw/zinc/53/46/58/357534658.db2.gz PWTBFFFZJXOLED-UONOGXRCSA-N 0 0 275.348 1.578 50 0 CDAARN CC[C@@H](OC)c1n[nH]c(=O)n1Cc1cccc(OC)c1 ZINC000065434282 357541648 /nfs/dbraw/zinc/54/16/48/357541648.db2.gz QDFIIMGQMMQUPS-GFCCVEGCSA-N 0 0 277.324 1.726 50 0 CDAARN CCOc1ccnc(NCCN2CCCOC2=O)n1 ZINC000065460048 357542624 /nfs/dbraw/zinc/54/26/24/357542624.db2.gz INYIMCBIIYOIHH-UHFFFAOYSA-N 0 0 266.301 1.130 50 0 CDAARN COc1cc(N2CC[C@](O)(c3ccccc3C)C2)ncn1 ZINC000065526569 357547176 /nfs/dbraw/zinc/54/71/76/357547176.db2.gz JAQLVBWOIFUJKC-MRXNPFEDSA-N 0 0 285.347 1.892 50 0 CDAARN COC(=O)CN(C)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000067724257 357621684 /nfs/dbraw/zinc/62/16/84/357621684.db2.gz QUOCHGNMECMADC-UHFFFAOYSA-N 0 0 290.319 1.142 50 0 CDAARN O=C(CO)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067743520 357623664 /nfs/dbraw/zinc/62/36/64/357623664.db2.gz OGIVCWNUFMSSHD-UHFFFAOYSA-N 0 0 294.257 1.761 50 0 CDAARN CCCO[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000067360367 357605637 /nfs/dbraw/zinc/60/56/37/357605637.db2.gz NGLHAXGWLYIMFO-LBPRGKRZSA-N 0 0 266.345 1.086 50 0 CDAARN CCCCN1CCN(C(=O)Cc2ccccn2)CC1=O ZINC000067459673 357609429 /nfs/dbraw/zinc/60/94/29/357609429.db2.gz ZOWHQNORNOCZHG-UHFFFAOYSA-N 0 0 275.352 1.095 50 0 CDAARN CCNC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000067612714 357614306 /nfs/dbraw/zinc/61/43/06/357614306.db2.gz BKMGCNXDSBYGBR-SECBINFHSA-N 0 0 288.344 1.116 50 0 CDAARN O=C([C@@H]1CCOC1)N(CCO)Cc1cccs1 ZINC000067712697 357620281 /nfs/dbraw/zinc/62/02/81/357620281.db2.gz XDDGDWQXLHUGKR-SNVBAGLBSA-N 0 0 255.339 1.106 50 0 CDAARN Cc1noc(C)c1CN(C)C(=O)[C@@H]1CC(C)=NO1 ZINC000071762977 357778967 /nfs/dbraw/zinc/77/89/67/357778967.db2.gz HZDYHFRLFPBQAQ-NSHDSACASA-N 0 0 251.286 1.415 50 0 CDAARN Cc1cc2nc(C(C)C)cc(NCCn3cncn3)n2n1 ZINC000072431961 357835062 /nfs/dbraw/zinc/83/50/62/357835062.db2.gz MKYDFQHCZLTWGJ-UHFFFAOYSA-N 0 0 285.355 1.865 50 0 CDAARN 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COc1ccc(-c2cnc(C(=O)[O-])nc2)c(C[NH3+])c1 ZINC000675068992 539085040 /nfs/dbraw/zinc/08/50/40/539085040.db2.gz AIZBQADMNPQUNR-UHFFFAOYSA-N 0 0 259.265 1.309 50 0 CDAARN O=C([C@H]1CCCO1)N1CCC(CCn2cccn2)CC1 ZINC000082097876 177920543 /nfs/dbraw/zinc/92/05/43/177920543.db2.gz FOKNQYMWJIUSMM-CQSZACIVSA-N 0 0 277.368 1.691 50 0 CDAARN Cn1ccnc1C(=O)NCCCc1nc2ccccc2n1C ZINC000096453055 230376610 /nfs/dbraw/zinc/37/66/10/230376610.db2.gz OLCCXQJSHLORAZ-UHFFFAOYSA-N 0 0 297.362 1.669 50 0 CDAARN COCCC(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 ZINC000096459177 230377682 /nfs/dbraw/zinc/37/76/82/230377682.db2.gz MTHBWVDVUONJQE-UHFFFAOYSA-N 0 0 264.325 1.672 50 0 CDAARN COc1ccc([S@@](=O)Cc2nccn2C)cc1OC ZINC000096466708 230378553 /nfs/dbraw/zinc/37/85/53/230378553.db2.gz RIGITUVIINATLU-LJQANCHMSA-N 0 0 280.349 1.745 50 0 CDAARN Cc1cc(=O)c(C(=O)NC[C@@H](O)C2CCCCC2)c[nH]1 ZINC000096475319 230379613 /nfs/dbraw/zinc/37/96/13/230379613.db2.gz SDNCHTQKRPVDRX-CQSZACIVSA-N 0 0 278.352 1.354 50 0 CDAARN COCCNC(=O)CN(C)C(=O)c1cccc(C)c1Cl ZINC000096484385 230381241 /nfs/dbraw/zinc/38/12/41/230381241.db2.gz KTVUXSVCXHPMEF-UHFFFAOYSA-N 0 0 298.770 1.483 50 0 CDAARN O=C(Cc1cc[nH]n1)NC[C@H]1COC2(CCCCCC2)O1 ZINC000096495321 230383938 /nfs/dbraw/zinc/38/39/38/230383938.db2.gz DUKUSUYDLCWDAL-ZDUSSCGKSA-N 0 0 293.367 1.534 50 0 CDAARN Cc1nnc2n1C[C@@H](NC(=O)CCc1cccc(C)c1)CC2 ZINC000095957943 342468155 /nfs/dbraw/zinc/46/81/55/342468155.db2.gz RFVBPYQTCBAYEG-HNNXBMFYSA-N 0 0 298.390 1.959 50 0 CDAARN Cc1nsc(N2CCCC[C@H]2C(=O)NCC(F)F)n1 ZINC000408519662 230404489 /nfs/dbraw/zinc/40/44/89/230404489.db2.gz NQAIWMWQMVKOIN-QMMMGPOBSA-N 0 0 290.339 1.587 50 0 CDAARN Cc1cc(CNC(=O)[C@@H]2COc3ccccc3C2)[nH]n1 ZINC000095527495 185003387 /nfs/dbraw/zinc/00/33/87/185003387.db2.gz RNPYKDLWKVYQLW-LBPRGKRZSA-N 0 0 271.320 1.586 50 0 CDAARN Cc1nnsc1CN(C)Cc1ccc(N(C)C)nc1 ZINC000220631636 230397816 /nfs/dbraw/zinc/39/78/16/230397816.db2.gz MDVDWDSAOGMRDL-UHFFFAOYSA-N 0 0 277.397 1.940 50 0 CDAARN CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2scnc2c1 ZINC000222577198 230398011 /nfs/dbraw/zinc/39/80/11/230398011.db2.gz BLJMTCILXUZQRC-ZYHUDNBSSA-N 0 0 292.360 1.830 50 0 CDAARN O[C@@H](CN1CC(O)(c2ccc(Cl)cc2)C1)C(F)(F)F ZINC000408516252 230403321 /nfs/dbraw/zinc/40/33/21/230403321.db2.gz JBTKOSIYQFPZCE-JTQLQIEISA-N 0 0 295.688 1.766 50 0 CDAARN Cn1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)n1 ZINC000589307597 342503609 /nfs/dbraw/zinc/50/36/09/342503609.db2.gz QLYCSMTTWOGIMS-UHFFFAOYSA-N 0 0 270.292 1.557 50 0 CDAARN CCn1nccc1CN1CCCC2(C1)OCCO2 ZINC000097376999 342003069 /nfs/dbraw/zinc/00/30/69/342003069.db2.gz AWMOEPROGBZSCH-UHFFFAOYSA-N 0 0 251.330 1.242 50 0 CDAARN C[C@H]1CN(Cc2cnc3ncccn23)C(C)(C)CO1 ZINC000097376879 342003090 /nfs/dbraw/zinc/00/30/90/342003090.db2.gz VWUNOIGGBHLBBT-NSHDSACASA-N 0 0 260.341 1.729 50 0 CDAARN Cc1nn(CCO)c(C)c1CN1CCC[C@H]1c1ncc[nH]1 ZINC000095940885 185036300 /nfs/dbraw/zinc/03/63/00/185036300.db2.gz XSWMHSSITBIWBO-AWEZNQCLSA-N 0 0 289.383 1.552 50 0 CDAARN Cn1nccc1CNc1nnc(-c2ccncc2)o1 ZINC000095943123 185037521 /nfs/dbraw/zinc/03/75/21/185037521.db2.gz HRDGGPWTYAQFBW-UHFFFAOYSA-N 0 0 256.269 1.477 50 0 CDAARN CSCC[C@H](NC(N)=O)C(=O)NCc1ccc(F)cc1 ZINC000002662476 169819211 /nfs/dbraw/zinc/81/92/11/169819211.db2.gz HKSGHYZCCMSLIL-NSHDSACASA-N 0 0 299.371 1.232 50 0 CDAARN CSC[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000095974474 185050242 /nfs/dbraw/zinc/05/02/42/185050242.db2.gz DYCPITVBZYRDHD-WOPDTQHZSA-N 0 0 274.430 1.788 50 0 CDAARN NC(=O)NC(=O)CCn1ccnc1-c1cccs1 ZINC000095974662 185050395 /nfs/dbraw/zinc/05/03/95/185050395.db2.gz LTHJHIBXACUXPM-UHFFFAOYSA-N 0 0 264.310 1.197 50 0 CDAARN CC(=O)NCCCS(=O)(=O)c1nc(C)c(C)s1 ZINC000095977408 185052209 /nfs/dbraw/zinc/05/22/09/185052209.db2.gz OGERQMHJJMYWRX-UHFFFAOYSA-N 0 0 276.383 1.060 50 0 CDAARN C[C@@H]1CCO[C@@H]1C(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000095979410 185053069 /nfs/dbraw/zinc/05/30/69/185053069.db2.gz MSEGGMBITDPJRU-HBMUXGDJSA-N 0 0 285.340 1.927 50 0 CDAARN CCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)o1 ZINC000095982452 185054388 /nfs/dbraw/zinc/05/43/88/185054388.db2.gz SXMJIMSZYHCFDI-UHFFFAOYSA-N 0 0 286.397 1.309 50 0 CDAARN CC[C@@H](CO)NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000095994250 185059328 /nfs/dbraw/zinc/05/93/28/185059328.db2.gz KKILDHMPWZJKIG-WPRPVWTQSA-N 0 0 270.354 1.495 50 0 CDAARN CCc1nnnn1Cc1nnc(C2CC2)n1C1CC1 ZINC000096008310 185064029 /nfs/dbraw/zinc/06/40/29/185064029.db2.gz KHXRDPGFHKQESO-UHFFFAOYSA-N 0 0 259.317 1.088 50 0 CDAARN Cc1ccn(-c2ccc(NCC(=O)NC3CC3)cc2)n1 ZINC000240454692 361747980 /nfs/dbraw/zinc/74/79/80/361747980.db2.gz FYDYUXPZBHZJQZ-UHFFFAOYSA-N 0 0 270.336 1.871 50 0 CDAARN CC[C@@H]1CN(C)CCCN1S(=O)(=O)c1cccs1 ZINC000242088020 361754441 /nfs/dbraw/zinc/75/44/41/361754441.db2.gz WBDYABXTLWSCQE-LLVKDONJSA-N 0 0 288.438 1.853 50 0 CDAARN Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1O ZINC000273066309 192035588 /nfs/dbraw/zinc/03/55/88/192035588.db2.gz ZDGINZXSZJEODM-NSHDSACASA-N 0 0 288.347 1.441 50 0 CDAARN C[S@](=O)CCCNC(=O)c1c(O)cccc1F ZINC000124996803 187165131 /nfs/dbraw/zinc/16/51/31/187165131.db2.gz VTTVYPOUNZNUSB-QGZVFWFLSA-N 0 0 259.302 1.030 50 0 CDAARN COc1cc2nc(CCC(N)=O)cc(C)c2cc1OC ZINC000082781264 178288701 /nfs/dbraw/zinc/28/87/01/178288701.db2.gz SJLQUMCDJLFSEP-UHFFFAOYSA-N 0 0 274.320 1.978 50 0 CDAARN N=C1NC(=O)/C(=C/c2cc3c(c([N+](=O)[O-])c2)OCO3)S1 ZINC000023128318 342089047 /nfs/dbraw/zinc/08/90/47/342089047.db2.gz JUXZIBVSXMCMHC-BAQGIRSFSA-N 0 0 293.260 1.462 50 0 CDAARN O=C(NCCC1=CCCCC1)c1ccc(-n2cncn2)nn1 ZINC000096097885 185097258 /nfs/dbraw/zinc/09/72/58/185097258.db2.gz HGERJQZRAAQBDC-UHFFFAOYSA-N 0 0 298.350 1.678 50 0 CDAARN Cn1nc(CNC(=O)CCc2ccccc2)c2c1CCOC2 ZINC000096103968 185099057 /nfs/dbraw/zinc/09/90/57/185099057.db2.gz SZFWVJAMHVCIPA-UHFFFAOYSA-N 0 0 299.374 1.742 50 0 CDAARN O=C(NCc1nccc(N2CCCC2)n1)c1ccco1 ZINC000096120753 185101818 /nfs/dbraw/zinc/10/18/18/185101818.db2.gz GCQGGTZOFFXGST-UHFFFAOYSA-N 0 0 272.308 1.600 50 0 CDAARN O=C(COc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 ZINC000096123074 185103021 /nfs/dbraw/zinc/10/30/21/185103021.db2.gz HNEJREBANCCHRC-CYBMUJFWSA-N 0 0 287.319 1.862 50 0 CDAARN O=C(CCc1nc([C@H]2CCOC2)no1)N1CCCCCC1 ZINC000096139903 185105155 /nfs/dbraw/zinc/10/51/55/185105155.db2.gz HOMXKWZTIRPBQS-LBPRGKRZSA-N 0 0 293.367 1.909 50 0 CDAARN Cc1nc2nnc3c(ccn(-c4cccc(C)c4)c3=O)n2n1 ZINC000071375929 282132893 /nfs/dbraw/zinc/13/28/93/282132893.db2.gz VNFVFSAUDWNHEG-UHFFFAOYSA-N 0 0 292.302 1.440 50 0 CDAARN COC(=O)[C@H]1CCN(C(=O)c2ccoc2C)C[C@@H]1C ZINC000195579293 342628993 /nfs/dbraw/zinc/62/89/93/342628993.db2.gz FXZKDVQQXNFWHX-ONGXEEELSA-N 0 0 265.309 1.859 50 0 CDAARN COC(=O)Nc1ccc(-c2cnn(CCO)c2)cc1 ZINC000096149819 185107430 /nfs/dbraw/zinc/10/74/30/185107430.db2.gz WSZCOGUVQKAVCO-UHFFFAOYSA-N 0 0 261.281 1.721 50 0 CDAARN Cc1ncccc1C(=O)N1CCS[C@@H]2COCC[C@H]21 ZINC000095427378 539087970 /nfs/dbraw/zinc/08/79/70/539087970.db2.gz BNSJOPFKCAAZAE-CHWSQXEVSA-N 0 0 278.377 1.737 50 0 CDAARN C[NH+](C)[C@H](CNC(=O)c1c([O-])cc(F)cc1F)C1CC1 ZINC000083847737 342149353 /nfs/dbraw/zinc/14/93/53/342149353.db2.gz ZDKNJGOCFSYDGZ-LLVKDONJSA-N 0 0 284.306 1.740 50 0 CDAARN CN(C)c1cc(NC(=O)N(C)C[C@@H]2CCOC2)ncn1 ZINC000252507979 361852567 /nfs/dbraw/zinc/85/25/67/361852567.db2.gz WZFFQLMBMKGUNI-JTQLQIEISA-N 0 0 279.344 1.043 50 0 CDAARN O=C1NCCN(CCc2ccccn2)[C@H]1c1cccc(F)c1 ZINC000244701204 361857343 /nfs/dbraw/zinc/85/73/43/361857343.db2.gz KCCVBJYZNRRUHP-INIZCTEOSA-N 0 0 299.349 1.936 50 0 CDAARN CC[C@H](NC(=O)CCCc1cn[nH]c1)[C@H]1C[C@H](O)C1 ZINC000244691913 361857430 /nfs/dbraw/zinc/85/74/30/361857430.db2.gz JLBVQJUSYXUTBB-AVGNSLFASA-N 0 0 265.357 1.398 50 0 CDAARN C[C@@H]1C[C@H]1NC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000095977476 539088143 /nfs/dbraw/zinc/08/81/43/539088143.db2.gz DFYVBHPDSATOEP-OPRDCNLKSA-N 0 0 279.306 1.673 50 0 CDAARN CC(C)Cn1cncc1CNC(=O)[C@@H](C)Cn1cncn1 ZINC000244858577 361866410 /nfs/dbraw/zinc/86/64/10/361866410.db2.gz VNQXPEJHUITTOT-LBPRGKRZSA-N 0 0 290.371 1.083 50 0 CDAARN CCCc1nc(C)cc(C[C@@H]2CC(=O)N(CCOC)C2)n1 ZINC000244866552 361866619 /nfs/dbraw/zinc/86/66/19/361866619.db2.gz VYERSENHTDKXCQ-CYBMUJFWSA-N 0 0 291.395 1.775 50 0 CDAARN C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccccc1 ZINC000000422368 361916781 /nfs/dbraw/zinc/91/67/81/361916781.db2.gz UIOUBAAWJVKYDR-QMMMGPOBSA-N 0 0 289.364 1.760 50 0 CDAARN c1csc([C@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 ZINC000065594972 361918501 /nfs/dbraw/zinc/91/85/01/361918501.db2.gz ORGOUVBLGJLDHS-SNVBAGLBSA-N 0 0 292.364 1.977 50 0 CDAARN C/C=C/C=C\C(=O)NC1CCN(S(=O)(=O)CC)CC1 ZINC000096991384 185146124 /nfs/dbraw/zinc/14/61/24/185146124.db2.gz SPUYHHZIGSBXJC-WZWXSLMZSA-N 0 0 286.397 1.049 50 0 CDAARN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2CCCO2)c1C ZINC000000429486 361924600 /nfs/dbraw/zinc/92/46/00/361924600.db2.gz UMWRGNONKXRKFN-NSHDSACASA-N 0 0 264.325 1.743 50 0 CDAARN O=C1CSCN1Cc1nc(-c2cccs2)no1 ZINC000097001952 185150563 /nfs/dbraw/zinc/15/05/63/185150563.db2.gz NRXBWBPNEPHJLC-UHFFFAOYSA-N 0 0 267.335 1.831 50 0 CDAARN CCNC(=O)CNCc1ccc(C)cc1Br ZINC000097021039 185153680 /nfs/dbraw/zinc/15/36/80/185153680.db2.gz PSDPWXGGUYXHBB-UHFFFAOYSA-N 0 0 285.185 1.983 50 0 CDAARN O=C(CNC(=O)c1cscn1)c1cccs1 ZINC000097022572 185154080 /nfs/dbraw/zinc/15/40/80/185154080.db2.gz BYJPRZBQRLFUGR-UHFFFAOYSA-N 0 0 252.320 1.817 50 0 CDAARN CCc1nc(CCNC(=O)[C@@H](O)CCSC)cs1 ZINC000222960914 539043741 /nfs/dbraw/zinc/04/37/41/539043741.db2.gz UJNTVLHCGLSPOE-JTQLQIEISA-N 0 0 288.438 1.478 50 0 CDAARN COC[C@@](C)(O)C(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000585139262 342216616 /nfs/dbraw/zinc/21/66/16/342216616.db2.gz IVTJWJMJBLFUDL-WCQYABFASA-N 0 0 273.279 1.350 50 0 CDAARN CC(C)N(CC(C)(C)O)C(=O)NCCCn1ccnc1 ZINC000084597241 539060750 /nfs/dbraw/zinc/06/07/50/539060750.db2.gz WJJKGUCSRCKJBR-UHFFFAOYSA-N 0 0 282.388 1.464 50 0 CDAARN O=C1Nc2ccccc2[C@@]12Nc1ccccc1-c1nnnn12 ZINC000685944070 539046078 /nfs/dbraw/zinc/04/60/78/539046078.db2.gz ZZZISMWFBRAZEC-HNNXBMFYSA-N 0 0 290.286 1.419 50 0 CDAARN 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CC(=O)N1C[C@H]2CC[C@H](CN2C(=O)c2ccc[nH]2)C1 ZINC000091416545 180149335 /nfs/dbraw/zinc/14/93/35/180149335.db2.gz WTEWUPKEZLGRTR-NWDGAFQWSA-N 0 0 261.325 1.098 50 0 CDAARN OCCn1ncnc1-c1cccc(-c2ncc[nH]2)c1 ZINC000091645389 180214995 /nfs/dbraw/zinc/21/49/95/180214995.db2.gz BVEKJJWIGJSADU-UHFFFAOYSA-N 0 0 255.281 1.328 50 0 CDAARN CC(C)c1nnsc1Cn1cc([C@H]2CCOC2)nn1 ZINC000091755255 180247133 /nfs/dbraw/zinc/24/71/33/180247133.db2.gz ZEXRSAWMRSLOOS-VIFPVBQESA-N 0 0 279.369 1.805 50 0 CDAARN CCN1CC2(CCC1=O)CCN(Cc1nc(C)no1)CC2 ZINC000091781401 180253609 /nfs/dbraw/zinc/25/36/09/180253609.db2.gz GVPNSHNEYDIQJA-UHFFFAOYSA-N 0 0 292.383 1.603 50 0 CDAARN COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@H](O)C2)c1 ZINC000091817725 180263237 /nfs/dbraw/zinc/26/32/37/180263237.db2.gz OYJIFDLYTXQFHV-NSHDSACASA-N 0 0 287.319 1.292 50 0 CDAARN CC(C)[C@]1(O)CN(C(=O)Cc2cscn2)C[C@H]1C ZINC000091932589 180288271 /nfs/dbraw/zinc/28/82/71/180288271.db2.gz SWQLQAPXUBGRTQ-ZWNOBZJWSA-N 0 0 268.382 1.551 50 0 CDAARN CC(C)[C@]1(O)CN(C(=O)CCCN2CCCC2=O)C[C@H]1C ZINC000092021352 180307600 /nfs/dbraw/zinc/30/76/00/180307600.db2.gz JNYUELFJDRBAOB-CZUORRHYSA-N 0 0 296.411 1.254 50 0 CDAARN O=C(c1cc(C2CC2)n[nH]1)N1CC[C@]2(C1)CCCNC2=O ZINC000092099278 180325040 /nfs/dbraw/zinc/32/50/40/180325040.db2.gz KAFQGTZLJJIRHO-HNNXBMFYSA-N 0 0 288.351 1.029 50 0 CDAARN CC(C)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)C[C@H]1C(=O)[O-] ZINC000092066883 180316996 /nfs/dbraw/zinc/31/69/96/180316996.db2.gz GIMSXKFXGATZFA-UONOGXRCSA-N 0 0 290.363 1.574 50 0 CDAARN CCn1nc(C)cc1C(=O)N1CC(=O)Nc2ccccc21 ZINC000013699989 365961916 /nfs/dbraw/zinc/96/19/16/365961916.db2.gz NQQIPPONJZBEEI-UHFFFAOYSA-N 0 0 284.319 1.810 50 0 CDAARN CN1CCO[C@H](CNc2ncccc2C(F)(F)F)C1 ZINC000108945623 186236462 /nfs/dbraw/zinc/23/64/62/186236462.db2.gz KTEQQLYOLACNHV-SECBINFHSA-N 0 0 275.274 1.843 50 0 CDAARN COCC[C@@H]1COCCN1C(=O)CCc1nccs1 ZINC000291213004 197956000 /nfs/dbraw/zinc/95/60/00/197956000.db2.gz OHTJUYBOCCGGPW-LLVKDONJSA-N 0 0 284.381 1.340 50 0 CDAARN COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccsc1 ZINC000009737307 290920800 /nfs/dbraw/zinc/92/08/00/290920800.db2.gz JMFAIFJPYXYGAG-SECBINFHSA-N 0 0 268.363 1.714 50 0 CDAARN CCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 ZINC000390827287 351373101 /nfs/dbraw/zinc/37/31/01/351373101.db2.gz WAZMZNWPMUEAND-ZDUSSCGKSA-N 0 0 299.367 1.924 50 0 CDAARN CC(C)Oc1cccc(-c2nc([C@H]3COCCN3)no2)n1 ZINC000096001445 351469250 /nfs/dbraw/zinc/46/92/50/351469250.db2.gz FMCWBGFIGASZDT-LLVKDONJSA-N 0 0 290.323 1.580 50 0 CDAARN CS(=O)(=O)C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC=CCC1 ZINC000096375312 351546574 /nfs/dbraw/zinc/54/65/74/351546574.db2.gz MOXWUJCOLMDRLA-ICIURTGMSA-N 0 0 297.420 1.909 50 0 CDAARN CCOCC(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC000238931039 363078007 /nfs/dbraw/zinc/07/80/07/363078007.db2.gz VBPFBGPRQGPLAA-ZETCQYMHSA-N 0 0 293.245 1.441 50 0 CDAARN C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H](C)O1 ZINC000027969062 366043971 /nfs/dbraw/zinc/04/39/71/366043971.db2.gz MADGSKWKZUBADE-AOOOYVTPSA-N 0 0 271.748 1.562 50 0 CDAARN COC(=O)c1ccc(C(=O)NC[C@@H]2CC=CCC2)cn1 ZINC000122272690 187024239 /nfs/dbraw/zinc/02/42/39/187024239.db2.gz AJMPNVSMLJYNGK-LLVKDONJSA-N 0 0 274.320 1.954 50 0 CDAARN CO[C@](C)(C(=O)Nc1cc(C(=O)N(C)C)ccn1)C1CC1 ZINC000291960698 198118285 /nfs/dbraw/zinc/11/82/85/198118285.db2.gz RKJCCTAPCHNFJV-HNNXBMFYSA-N 0 0 291.351 1.537 50 0 CDAARN COc1cc(C(=O)O[C@H](C)C(N)=O)ccc1OC(F)F ZINC000003489752 363169329 /nfs/dbraw/zinc/16/93/29/363169329.db2.gz CFUSHKWHTWIZDH-ZCFIWIBFSA-N 0 0 289.234 1.327 50 0 CDAARN Cc1n[nH]cc1CNC(=O)COc1ccc2c(c1)CCC2 ZINC000038011515 363220112 /nfs/dbraw/zinc/22/01/12/363220112.db2.gz OMXVZHUAZUZDLX-UHFFFAOYSA-N 0 0 285.347 1.902 50 0 CDAARN CCc1nnc(CN2CCOC[C@@H]2CC(C)C)[nH]1 ZINC000158563809 188382544 /nfs/dbraw/zinc/38/25/44/188382544.db2.gz RCOBVIOGYOCPOD-NSHDSACASA-N 0 0 252.362 1.614 50 0 CDAARN CC[C@@H](NC(=O)CN1CCCC1=O)c1ccncc1 ZINC000158596809 188384493 /nfs/dbraw/zinc/38/44/93/188384493.db2.gz OTRPNABMZLCHMK-GFCCVEGCSA-N 0 0 261.325 1.271 50 0 CDAARN CC(=O)[C@H](NC(=O)CN1CCO[C@H]2CCCC[C@H]21)C(C)C ZINC000250702279 366091118 /nfs/dbraw/zinc/09/11/18/366091118.db2.gz VEPWAJGITKDOPW-IJEWVQPXSA-N 0 0 296.411 1.360 50 0 CDAARN CCN(C(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504580 363247085 /nfs/dbraw/zinc/24/70/85/363247085.db2.gz KNXUAZBQACKFLT-GFCCVEGCSA-N 0 0 285.340 1.475 50 0 CDAARN C[C@@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000014193726 366132210 /nfs/dbraw/zinc/13/22/10/366132210.db2.gz XTJKDSRJOIIOJX-LLVKDONJSA-N 0 0 275.352 1.456 50 0 CDAARN Cc1n[nH]cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000036901622 363289124 /nfs/dbraw/zinc/28/91/24/363289124.db2.gz USNPUNCVRPXDOR-GFCCVEGCSA-N 0 0 259.309 1.648 50 0 CDAARN Cc1ccc(C(=O)NCCCN2CCOCC2)c(O)c1 ZINC000036962698 363301669 /nfs/dbraw/zinc/30/16/69/363301669.db2.gz OARDZSSYLBSZIW-UHFFFAOYSA-N 0 0 278.352 1.153 50 0 CDAARN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nccn1C ZINC000007318156 363298250 /nfs/dbraw/zinc/29/82/50/363298250.db2.gz NFXZKUMRLMLGEZ-SNVBAGLBSA-N 0 0 293.396 1.890 50 0 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COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(N)c1 ZINC000001404087 355934941 /nfs/dbraw/zinc/93/49/41/355934941.db2.gz OTEVRRCPEAELJM-UHFFFAOYSA-N 0 0 291.328 1.888 50 0 CDAARN CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1 ZINC000000030070 355880638 /nfs/dbraw/zinc/88/06/38/355880638.db2.gz IHBQVETZJLSNMH-UHFFFAOYSA-N 0 0 269.304 1.970 50 0 CDAARN CCCn1c(N[C@H](C)CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000000119633 355888440 /nfs/dbraw/zinc/88/84/40/355888440.db2.gz PWXAWGRKVCIBJG-SECBINFHSA-N 0 0 293.371 1.054 50 0 CDAARN COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000000122329 355888761 /nfs/dbraw/zinc/88/87/61/355888761.db2.gz VPZYZFCZKZOOKA-LLVKDONJSA-N 0 0 269.322 1.013 50 0 CDAARN CCCC(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000000121286 355888847 /nfs/dbraw/zinc/88/88/47/355888847.db2.gz ZMLCKENBZNDJHB-UHFFFAOYSA-N 0 0 278.337 1.469 50 0 CDAARN CC1=CSc2nnc(Cn3nnc4ccccc43)n2N1 ZINC000000159823 355892525 /nfs/dbraw/zinc/89/25/25/355892525.db2.gz GDOOMYKMXMUNOZ-UHFFFAOYSA-N 0 0 285.336 1.401 50 0 CDAARN O=C(NC(=S)N1CCOCC1)c1ccc(F)cc1F ZINC000000171842 355893321 /nfs/dbraw/zinc/89/33/21/355893321.db2.gz QUSNOHODBLVGFI-UHFFFAOYSA-N 0 0 286.303 1.312 50 0 CDAARN Nc1cccc(S(=O)(=O)c2ccc(N)c(N)c2)c1 ZINC000000189388 355894823 /nfs/dbraw/zinc/89/48/23/355894823.db2.gz NYWUYFOUMARJFN-UHFFFAOYSA-N 0 0 263.322 1.266 50 0 CDAARN Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000246428 355898248 /nfs/dbraw/zinc/89/82/48/355898248.db2.gz FHCOBXPSQPZHOU-UHFFFAOYSA-N 0 0 254.355 1.834 50 0 CDAARN NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000241480 355898452 /nfs/dbraw/zinc/89/84/52/355898452.db2.gz QGLQAPPNLSDXHB-AWEZNQCLSA-N 0 0 294.310 1.379 50 0 CDAARN COc1ccc(N2C(=O)C[C@@H]([C@@H]3CCCO3)C2=O)cc1 ZINC000000250894 355899133 /nfs/dbraw/zinc/89/91/33/355899133.db2.gz GHVBNWMNHPAMCU-STQMWFEESA-N 0 0 275.304 1.754 50 0 CDAARN O=C(N[C@@H](O)C(Cl)(Cl)Cl)c1ccncc1 ZINC000000284011 355901136 /nfs/dbraw/zinc/90/11/36/355901136.db2.gz VTRPTXFUUFYVGR-ZETCQYMHSA-N 0 0 269.515 1.500 50 0 CDAARN 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/nfs/dbraw/zinc/90/44/96/355904496.db2.gz GCOMJJNVXFSQNG-UHFFFAOYSA-N 0 0 293.714 1.328 50 0 CDAARN COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)O ZINC000000338310 355905381 /nfs/dbraw/zinc/90/53/81/355905381.db2.gz KGGUASRIGLRPAX-LBPRGKRZSA-N 0 0 278.304 1.476 50 0 biogenic,in-vitro CDAARN O=C(c1ccco1)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000000373517 355907227 /nfs/dbraw/zinc/90/72/27/355907227.db2.gz ANSNAITVLLVWMB-JTQLQIEISA-N 0 0 280.177 1.700 50 0 CDAARN Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1 ZINC000000381992 355907669 /nfs/dbraw/zinc/90/76/69/355907669.db2.gz WKYXZZIRFDZAPJ-UHFFFAOYSA-N 0 0 287.363 1.741 50 0 CDAARN Cc1cccc(-n2nnc(C(=O)NC(C)C)c2N)c1 ZINC000000424338 355910945 /nfs/dbraw/zinc/91/09/45/355910945.db2.gz ICQKSLBGTGHISX-UHFFFAOYSA-N 0 0 259.313 1.296 50 0 CDAARN COC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000000443890 355911707 /nfs/dbraw/zinc/91/17/07/355911707.db2.gz MYRANCXCXAMMDH-UHFFFAOYSA-N 0 0 285.365 1.749 50 0 CDAARN CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000000463948 355912826 /nfs/dbraw/zinc/91/28/26/355912826.db2.gz MKTUPNDVWDROLW-UHFFFAOYSA-N 0 0 296.392 1.320 50 0 CDAARN CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000000501131 355914759 /nfs/dbraw/zinc/91/47/59/355914759.db2.gz ZBBPICFYDJFWNE-ZDUSSCGKSA-N 0 0 290.319 1.886 50 0 CDAARN COC(=O)c1ccccc1[S@@](=O)c1snnc1C ZINC000001389343 355933816 /nfs/dbraw/zinc/93/38/16/355933816.db2.gz AGQPVZQBWURGJM-SFHVURJKSA-N 0 0 282.346 1.800 50 0 CDAARN COc1nc(N(C)C)nc(-n2cc(-c3ccccc3)nn2)n1 ZINC000001425188 355936256 /nfs/dbraw/zinc/93/62/56/355936256.db2.gz DMHISFUKRLQAAD-UHFFFAOYSA-N 0 0 297.322 1.194 50 0 CDAARN COC(=O)[C@@H](C(=O)NC[C@@H]1CCCO1)C1CCCC1 ZINC000000033760 355880402 /nfs/dbraw/zinc/88/04/02/355880402.db2.gz YVUQQXCYHUSPNM-NWDGAFQWSA-N 0 0 269.341 1.261 50 0 CDAARN CCN(CC)c1nc2c(C)cccn2c(=O)c1C=O ZINC000000048317 355881426 /nfs/dbraw/zinc/88/14/26/355881426.db2.gz ZNIMMQQPKQDGJT-UHFFFAOYSA-N 0 0 259.309 1.662 50 0 CDAARN Cc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000061427 355882313 /nfs/dbraw/zinc/88/23/13/355882313.db2.gz INFSPMBFICSGQH-UHFFFAOYSA-N 0 0 290.344 1.895 50 0 CDAARN O=C(Cn1nnc(N2CCCCC2)n1)c1ccccc1 ZINC000000088951 355885471 /nfs/dbraw/zinc/88/54/71/355885471.db2.gz HDSHNFFQUMQFHK-UHFFFAOYSA-N 0 0 271.324 1.546 50 0 CDAARN O=C(Cn1c(=O)oc2cccnc21)Nc1ccccc1 ZINC000000127071 355889657 /nfs/dbraw/zinc/88/96/57/355889657.db2.gz FESCNRWUJXDQNM-UHFFFAOYSA-N 0 0 269.260 1.628 50 0 CDAARN COCc1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000000149097 355890791 /nfs/dbraw/zinc/89/07/91/355890791.db2.gz GOZYJMVOWIJMGR-UHFFFAOYSA-N 0 0 279.321 1.945 50 0 CDAARN O=C(c1cc(F)c(Cl)nc1Cl)N1CCOCC1 ZINC000000166932 355892325 /nfs/dbraw/zinc/89/23/25/355892325.db2.gz BLOYASGEDJPMSI-UHFFFAOYSA-N 0 0 279.098 2.000 50 0 CDAARN CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S ZINC000000171154 355893777 /nfs/dbraw/zinc/89/37/77/355893777.db2.gz TXUWMXQFNYDOEZ-NSHDSACASA-N 0 0 259.334 1.426 50 0 in-vitro CDAARN Cc1ccccc1NC(=O)[C@H]1CC(=O)N=C(N)S1 ZINC000000177083 355893865 /nfs/dbraw/zinc/89/38/65/355893865.db2.gz WUJOOPJVUGGTQP-SECBINFHSA-N 0 0 263.322 1.280 50 0 CDAARN CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=S ZINC000000171152 355893921 /nfs/dbraw/zinc/89/39/21/355893921.db2.gz TXUWMXQFNYDOEZ-LLVKDONJSA-N 0 0 259.334 1.426 50 0 in-vitro CDAARN COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C ZINC000000168536 355893958 /nfs/dbraw/zinc/89/39/58/355893958.db2.gz LAQUSGABDKJNSQ-UHFFFAOYSA-N 0 0 287.271 1.987 50 0 CDAARN CC(C)(CO)NC(=O)c1ccc(Br)cc1 ZINC000001558323 355939455 /nfs/dbraw/zinc/93/94/55/355939455.db2.gz QTPXHZCTCJPRCZ-UHFFFAOYSA-N 0 0 272.142 1.950 50 0 CDAARN O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000000219845 355897635 /nfs/dbraw/zinc/89/76/35/355897635.db2.gz RLNDDYZKYVBPFV-DGCLKSJQSA-N 0 0 280.368 1.073 50 0 CDAARN COCCCNC(=O)C(=O)Nc1cc(C)ccc1OC ZINC000002860361 355984679 /nfs/dbraw/zinc/98/46/79/355984679.db2.gz FYKZCIOPLNANFA-UHFFFAOYSA-N 0 0 280.324 1.095 50 0 CDAARN CCCC[C@@H](CC)CNC(=O)C(=O)NC[C@H]1CCCO1 ZINC000002906297 355987381 /nfs/dbraw/zinc/98/73/81/355987381.db2.gz NOZARZVBJZWMFG-CHWSQXEVSA-N 0 0 284.400 1.614 50 0 CDAARN COC(=O)CCCC(=O)Nc1cccc(C(=O)OC)c1 ZINC000003097047 355994416 /nfs/dbraw/zinc/99/44/16/355994416.db2.gz LSEULUQGLFRREJ-UHFFFAOYSA-N 0 0 279.292 1.755 50 0 CDAARN COCCCNC(=O)c1cc(-c2cccc(F)c2)n(C)n1 ZINC000034901801 356001629 /nfs/dbraw/zinc/00/16/29/356001629.db2.gz XZWSOUHIPXXFCZ-UHFFFAOYSA-N 0 0 291.326 1.993 50 0 CDAARN COc1cc(C(=O)N(C)OC)cc(OC)c1OC ZINC000001698055 355947880 /nfs/dbraw/zinc/94/78/80/355947880.db2.gz DJECVTFEJVBYHR-UHFFFAOYSA-N 0 0 255.270 1.346 50 0 CDAARN NC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 ZINC000001750789 355950468 /nfs/dbraw/zinc/95/04/68/355950468.db2.gz PWVADVOBRVKZSE-UHFFFAOYSA-N 0 0 293.706 1.799 50 0 CDAARN CCOC(=O)c1ccc(N(C[C@H](C)O)C[C@H](C)O)cc1 ZINC000002032875 355958108 /nfs/dbraw/zinc/95/81/08/355958108.db2.gz CBZHHQOZZQEZNJ-RYUDHWBXSA-N 0 0 281.352 1.431 50 0 in-man CDAARN CCCCN(CCCC)c1nc2c([nH]1)n(C)c(=O)[nH]c2=O ZINC000002255590 355965697 /nfs/dbraw/zinc/96/56/97/355965697.db2.gz DXBSNJOJSGMVHC-UHFFFAOYSA-N 0 0 293.371 1.357 50 0 CDAARN CCCC[NH+](CCCC)Cc1c(=O)[nH]c(=O)[nH]c1C(=O)[O-] ZINC000002465947 355970767 /nfs/dbraw/zinc/97/07/67/355970767.db2.gz ZYACRERYXQHGKH-UHFFFAOYSA-N 0 0 297.355 1.164 50 0 CDAARN COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000002493876 355972111 /nfs/dbraw/zinc/97/21/11/355972111.db2.gz MZVFVRZACUFIER-UHFFFAOYSA-N 0 0 283.349 1.648 50 0 CDAARN COP(=O)(OC)c1ccccc1P(=O)(OC)OC ZINC000002512200 355972596 /nfs/dbraw/zinc/97/25/96/355972596.db2.gz TUKTVDDATWNXSN-UHFFFAOYSA-N 0 0 294.180 1.909 50 0 CDAARN O=C(COc1ccc2c(c1)OCO2)Nc1nccs1 ZINC000004503047 356033083 /nfs/dbraw/zinc/03/30/83/356033083.db2.gz XDGIAQCJEYAUFU-UHFFFAOYSA-N 0 0 278.289 1.889 50 0 CDAARN Cn1nnnc1NCc1ccccc1C(F)(F)F ZINC000004512847 356033760 /nfs/dbraw/zinc/03/37/60/356033760.db2.gz DJZFHKVSSPDIGX-UHFFFAOYSA-N 0 0 257.219 1.841 50 0 CDAARN COc1ccccc1C(=S)N1CCN(C)CC1 ZINC000005041665 356048583 /nfs/dbraw/zinc/04/85/83/356048583.db2.gz OURUXWXEDGCKEA-UHFFFAOYSA-N 0 0 250.367 1.618 50 0 CDAARN COc1cc(Br)c([C@H]([NH3+])C(=O)[O-])cc1OC ZINC000003676794 356009107 /nfs/dbraw/zinc/00/91/07/356009107.db2.gz WPSNNNNYWQWOQA-VIFPVBQESA-N 0 0 290.113 1.551 50 0 CDAARN O=C1SCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004010662 356014943 /nfs/dbraw/zinc/01/49/43/356014943.db2.gz ABDJZVRPLIDAKK-SECBINFHSA-N 0 0 291.781 1.650 50 0 CDAARN CC(=O)C1=NO[C@H]2CO[C@@H](c3ccccc3F)OC[C@@H]12 ZINC000004040903 356015800 /nfs/dbraw/zinc/01/58/00/356015800.db2.gz UBUZNYPKIGQDGY-OSMZGAPFSA-N 0 0 279.267 1.831 50 0 CDAARN CCCCCC[C@@H](C(=O)OC)c1ccnc2nc(N)nn21 ZINC000004051220 356016682 /nfs/dbraw/zinc/01/66/82/356016682.db2.gz LJLFBADQMXEABL-SNVBAGLBSA-N 0 0 291.355 1.934 50 0 CDAARN Cc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000004263644 356025570 /nfs/dbraw/zinc/02/55/70/356025570.db2.gz OPXCYFXBOPWKHT-NSHDSACASA-N 0 0 268.338 1.304 50 0 CDAARN O=C([N-][C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000004293538 356026209 /nfs/dbraw/zinc/02/62/09/356026209.db2.gz HFZWIEKMCFJKFB-LLVKDONJSA-N 0 0 272.270 1.939 50 0 CDAARN COc1ccc(C)cc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000004302632 356026279 /nfs/dbraw/zinc/02/62/79/356026279.db2.gz RFPXNHVDZINYSR-RYUDHWBXSA-N 0 0 299.392 1.802 50 0 CDAARN CC(=O)Nc1ccc(C(=O)CN2C(=O)CSC2=O)cc1 ZINC000004383889 356029385 /nfs/dbraw/zinc/02/93/85/356029385.db2.gz OBJNOENMVIYVCH-UHFFFAOYSA-N 0 0 292.316 1.523 50 0 CDAARN O=C(NC1CC1)c1cccc(CN2CCOCC2)c1 ZINC000030873714 356091403 /nfs/dbraw/zinc/09/14/03/356091403.db2.gz AFZLDPBXIAKNRI-UHFFFAOYSA-N 0 0 260.337 1.411 50 0 CDAARN Cc1ccc(C(=O)NC2CC2)cc1NS(C)(=O)=O ZINC000010314404 356256074 /nfs/dbraw/zinc/25/60/74/356256074.db2.gz KZYPLFGWRRWUCN-UHFFFAOYSA-N 0 0 268.338 1.259 50 0 CDAARN CC[C@@H](C)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000010683130 356262212 /nfs/dbraw/zinc/26/22/12/356262212.db2.gz CMRGLEFJODTLHB-SECBINFHSA-N 0 0 296.754 1.980 50 0 CDAARN CC(C)Cc1ccc([C@H](C)NC(=O)Cn2cnnn2)cc1 ZINC000012801258 356325440 /nfs/dbraw/zinc/32/54/40/356325440.db2.gz GQKXWAINKXRCNQ-LBPRGKRZSA-N 0 0 287.367 1.749 50 0 CDAARN Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cn2)nc1 ZINC000012462470 356301536 /nfs/dbraw/zinc/30/15/36/356301536.db2.gz NHNVDBKBVDDBFE-UHFFFAOYSA-N 0 0 270.292 1.671 50 0 CDAARN COC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000032674238 356330891 /nfs/dbraw/zinc/33/08/91/356330891.db2.gz NTKXVIZQUFWNMA-WDEREUQCSA-N 0 0 294.326 1.330 50 0 CDAARN CCN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O ZINC000012928376 356331605 /nfs/dbraw/zinc/33/16/05/356331605.db2.gz NCWORXBHNBATNT-HNNXBMFYSA-N 0 0 258.321 1.962 50 0 CDAARN C[C@@H](OC(=O)c1cccnc1Oc1ccccc1)C(N)=O ZINC000032666177 356332251 /nfs/dbraw/zinc/33/22/51/356332251.db2.gz OCCWCIJGUZWZDR-SNVBAGLBSA-N 0 0 286.287 1.905 50 0 CDAARN Cc1ccnc(NC(=O)CS(=O)(=O)c2ccccc2)c1 ZINC000004412358 356337863 /nfs/dbraw/zinc/33/78/63/356337863.db2.gz GQEKKOZDZUZQHA-UHFFFAOYSA-N 0 0 290.344 1.802 50 0 CDAARN CCc1nnc(SCC(=O)NCc2ccco2)n1C ZINC000013331822 356344202 /nfs/dbraw/zinc/34/42/02/356344202.db2.gz GBQIUFALEAZXMM-UHFFFAOYSA-N 0 0 280.353 1.379 50 0 CDAARN O=C(NCCSCc1ccco1)c1ccc[nH]c1=O ZINC000032721190 356349196 /nfs/dbraw/zinc/34/91/96/356349196.db2.gz DIIFSYGOUVBEAG-UHFFFAOYSA-N 0 0 278.333 1.631 50 0 CDAARN C[C@@]1(NC(=O)CCc2ccsc2)CCS(=O)(=O)C1 ZINC000032722124 356352083 /nfs/dbraw/zinc/35/20/83/356352083.db2.gz UNKBOHYGMHIEFS-GFCCVEGCSA-N 0 0 287.406 1.374 50 0 CDAARN Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(F)cc1)C(=O)N2 ZINC000013688688 356353694 /nfs/dbraw/zinc/35/36/94/356353694.db2.gz BETNEUBODQLIKI-JTQLQIEISA-N 0 0 289.270 1.248 50 0 CDAARN CCCNC(=O)[C@@H](C)NC(=O)Cc1cccc(OC)c1 ZINC000032736737 356357704 /nfs/dbraw/zinc/35/77/04/356357704.db2.gz KAFWIBWFVPEAQA-LLVKDONJSA-N 0 0 278.352 1.269 50 0 CDAARN C[C@@H](NC(=O)c1cnn2cccnc12)c1ccccn1 ZINC000032764457 356364007 /nfs/dbraw/zinc/36/40/07/356364007.db2.gz KWZUJSCKIWJLAL-SNVBAGLBSA-N 0 0 267.292 1.615 50 0 CDAARN Cc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1 ZINC000013930343 356365210 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/nfs/dbraw/zinc/18/43/66/358184366.db2.gz CHMISHZZWNTSFI-JTQLQIEISA-N 0 0 259.309 1.084 50 0 CDAARN O=C(/C=C\c1ccc2c(c1)OCO2)NC1=NCCS1 ZINC000033316740 358244048 /nfs/dbraw/zinc/24/40/48/358244048.db2.gz MQHWOBFHOHNYIW-RQOWECAXSA-N 0 0 276.317 1.648 50 0 CDAARN C/C=C\CCNC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000098052949 358266627 /nfs/dbraw/zinc/26/66/27/358266627.db2.gz IBGWIJYUGASHQH-BYCRGOAPSA-N 0 0 293.371 1.525 50 0 CDAARN C/C(=C\C(=O)NCC1(CO)COC1)c1cccc(F)c1 ZINC000098053069 358267893 /nfs/dbraw/zinc/26/78/93/358267893.db2.gz AKVIADJASXAANK-VZUCSPMQSA-N 0 0 279.311 1.354 50 0 CDAARN CCOC(=O)c1cnn(CCc2ccccc2)c1N ZINC000087489397 358344119 /nfs/dbraw/zinc/34/41/19/358344119.db2.gz RQQNKPOAHSWRAT-UHFFFAOYSA-N 0 0 259.309 1.885 50 0 CDAARN O=C([C@@H]1CSC(=O)N1)N1CCc2sccc2C1 ZINC000089885381 358442633 /nfs/dbraw/zinc/44/26/33/358442633.db2.gz IKIWGZBCUYKCHZ-QMMMGPOBSA-N 0 0 268.363 1.458 50 0 CDAARN Cc1nc2c(c(N3CC[C@]4(C3)CCCNC4=O)n1)CCC2 ZINC000091548091 358516484 /nfs/dbraw/zinc/51/64/84/358516484.db2.gz CCPRWIYWCLITPL-INIZCTEOSA-N 0 0 286.379 1.380 50 0 CDAARN CC[C@@H]1NC(=O)N(Cc2cnc(Cl)s2)C1=O ZINC000089739112 358431567 /nfs/dbraw/zinc/43/15/67/358431567.db2.gz VAUKDMYWAYDZQC-LURJTMIESA-N 0 0 259.718 1.627 50 0 CDAARN CCc1cc(=O)[nH]c(S[C@H](C)c2cnccn2)n1 ZINC000195061690 358549878 /nfs/dbraw/zinc/54/98/78/358549878.db2.gz JWYIBPLFSJQWSX-MRVPVSSYSA-N 0 0 262.338 1.976 50 0 CDAARN CCc1nsc(N2CCN(Cc3cc[nH]n3)CC2)n1 ZINC000093643170 358621373 /nfs/dbraw/zinc/62/13/73/358621373.db2.gz VMEHAUPQETZYIP-UHFFFAOYSA-N 0 0 278.385 1.146 50 0 CDAARN CC(C)(C)OC(=O)N1CCN(c2ccncn2)CC1 ZINC000095093082 358678209 /nfs/dbraw/zinc/67/82/09/358678209.db2.gz KQDGVJCIWVOYPX-UHFFFAOYSA-N 0 0 264.329 1.534 50 0 CDAARN CCN1C(=O)C[C@H](C(N)=O)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000095347721 358682288 /nfs/dbraw/zinc/68/22/88/358682288.db2.gz WGKRLFOLQPRJEQ-JVXZTZIISA-N 0 0 286.253 1.499 50 0 CDAARN Cc1nc(CN2C(=O)COc3ccc(F)cc32)n(C)n1 ZINC000095379972 358689577 /nfs/dbraw/zinc/68/95/77/358689577.db2.gz VODOTPZZPLWLES-UHFFFAOYSA-N 0 0 276.271 1.188 50 0 CDAARN Cc1nonc1OCCNc1nnc(C2CCC2)o1 ZINC000095388868 358692026 /nfs/dbraw/zinc/69/20/26/358692026.db2.gz AGJQCDJCAGLPTB-UHFFFAOYSA-N 0 0 265.273 1.519 50 0 CDAARN Cc1cncc(-c2cc(C(=O)N3CCOCC3)ccn2)c1 ZINC000097370582 358771605 /nfs/dbraw/zinc/77/16/05/358771605.db2.gz AAQROBDQJXITHQ-UHFFFAOYSA-N 0 0 283.331 1.924 50 0 CDAARN O=C(CCc1nc([C@H]2CCOC2)no1)NC1CCCC1 ZINC000096163199 358712124 /nfs/dbraw/zinc/71/21/24/358712124.db2.gz SLUGTDDJTMNPCC-JTQLQIEISA-N 0 0 279.340 1.565 50 0 CDAARN CSc1cccc(CN2C[C@H]([NH+](C)C)C[C@H]2C(=O)[O-])c1 ZINC000097360064 358769595 /nfs/dbraw/zinc/76/95/95/358769595.db2.gz OPTMURXLAYPQAD-OCCSQVGLSA-N 0 0 294.420 1.998 50 0 CDAARN CNC(=O)[C@H]1CCN(C(=O)Nc2ccc(C)c(OC)c2)C1 ZINC000097528092 358782766 /nfs/dbraw/zinc/78/27/66/358782766.db2.gz SJRULRNAXXOTSH-NSHDSACASA-N 0 0 291.351 1.603 50 0 CDAARN COc1ccc(CNC(=O)c2cn(C)nc2C)c(F)c1F ZINC000097642516 358789312 /nfs/dbraw/zinc/78/93/12/358789312.db2.gz WZEXMMCANGVPHQ-UHFFFAOYSA-N 0 0 295.289 1.945 50 0 CDAARN Cc1nnnn1Cc1ncnn1-c1ccc2c(c1)CCC2 ZINC000097654098 358790172 /nfs/dbraw/zinc/79/01/72/358790172.db2.gz ONJMOHPPRPPOQW-UHFFFAOYSA-N 0 0 281.323 1.099 50 0 CDAARN O=C(C[C@@H]1NC(=O)c2ccccc21)NCCCn1ccnc1 ZINC000097655567 358790725 /nfs/dbraw/zinc/79/07/25/358790725.db2.gz LALGYDYYLOVCJR-AWEZNQCLSA-N 0 0 298.346 1.264 50 0 CDAARN COCc1nc([C@@H]2CCOC2)nn1-c1nc2ccccc2[nH]1 ZINC000097711854 358794530 /nfs/dbraw/zinc/79/45/30/358794530.db2.gz YEERRRIHCNXBDI-SNVBAGLBSA-N 0 0 299.334 1.794 50 0 CDAARN Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000097730295 358795659 /nfs/dbraw/zinc/79/56/59/358795659.db2.gz SVGKOHPQQIKOII-BETUJISGSA-N 0 0 259.353 1.994 50 0 CDAARN CN1C(=O)C[C@H](N2CCc3c4ccccc4[nH]c3C2)C1=O ZINC000100796975 358834934 /nfs/dbraw/zinc/83/49/34/358834934.db2.gz DOJKHRZYMYCTBG-AWEZNQCLSA-N 0 0 283.331 1.283 50 0 biogenic CDAARN CCOC(=O)CC(=O)CC1C(=O)CC(C)(C)CC1=O ZINC000100937210 358838078 /nfs/dbraw/zinc/83/80/78/358838078.db2.gz DVGURWIOYHNETM-UHFFFAOYSA-N 0 0 268.309 1.473 50 0 CDAARN Cc1cnc(SCC(N)=O)c(Br)c1 ZINC000215963688 358912476 /nfs/dbraw/zinc/91/24/76/358912476.db2.gz HUNBNDUMUSEVNC-UHFFFAOYSA-N 0 0 261.144 1.730 50 0 CDAARN Cc1nnc(SCC(=O)N2[C@@H]3CC[C@H]2C[C@@H](O)C3)s1 ZINC000102605569 358883566 /nfs/dbraw/zinc/88/35/66/358883566.db2.gz BCYPAPOEWIBUNS-MYJAWHEDSA-N 0 0 299.421 1.453 50 0 CDAARN O=C([O-])[C@H]1[C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]21 ZINC000216993471 358973419 /nfs/dbraw/zinc/97/34/19/358973419.db2.gz JHXOEVWICXMEQA-YABSGUDNSA-N 0 0 275.304 1.220 50 0 CDAARN Cc1ccc(C(=O)NC[C@H](C)Oc2cccnc2)c(=O)[nH]1 ZINC000216122834 358927121 /nfs/dbraw/zinc/92/71/21/358927121.db2.gz PWHWTOCEKGBKKI-NSHDSACASA-N 0 0 287.319 1.276 50 0 CDAARN NC(=O)C1(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000217195530 358984283 /nfs/dbraw/zinc/98/42/83/358984283.db2.gz ZBXJNISWSUJOOG-LLVKDONJSA-N 0 0 292.766 1.921 50 0 CDAARN COCCN1C(=O)c2[nH]nc(C)c2[C@@H]1c1cccc(O)c1 ZINC000012323803 358991499 /nfs/dbraw/zinc/99/14/99/358991499.db2.gz KKQIMYVLDCCHJK-AWEZNQCLSA-N 0 0 287.319 1.615 50 0 CDAARN CN1c2ccccc2C(C)(C)/C1=C\[C@@H]1CC(=O)NC1=O ZINC000101128425 359075064 /nfs/dbraw/zinc/07/50/64/359075064.db2.gz VSNBQOSOPBZGMR-SEEODLKFSA-N 0 0 270.332 1.961 50 0 CDAARN Cn1nnnc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000257176915 359080429 /nfs/dbraw/zinc/08/04/29/359080429.db2.gz DEGWYFDIFDNYIA-LLVKDONJSA-N 0 0 286.339 1.622 50 0 CDAARN CN1C(=O)[C@H]2CN(Cc3cc(F)c(F)cc3F)C[C@H]2C1=O ZINC000257176931 359081346 /nfs/dbraw/zinc/08/13/46/359081346.db2.gz DFSOVUBOXLFDSH-DTORHVGOSA-N 0 0 298.264 1.151 50 0 CDAARN O=C(N[C@@H]1CCOC[C@H]1O)c1cc(Cl)cc(Cl)c1 ZINC000219671311 359113985 /nfs/dbraw/zinc/11/39/85/359113985.db2.gz LAGMKONYJDTIQT-GHMZBOCLSA-N 0 0 290.146 1.873 50 0 CDAARN Cc1cc([C@H]2CCCCN2C(=O)CN2CCOC2=O)no1 ZINC000220201478 359156749 /nfs/dbraw/zinc/15/67/49/359156749.db2.gz HAPKQIYOARDGMX-GFCCVEGCSA-N 0 0 293.323 1.489 50 0 CDAARN COCc1nc([C@H]2CCN(C(=O)c3ccco3)C2)no1 ZINC000257179775 359174926 /nfs/dbraw/zinc/17/49/26/359174926.db2.gz JKGMSFHQSCNMHC-VIFPVBQESA-N 0 0 277.280 1.439 50 0 CDAARN CC(C)C[C@@H](O)C(=O)N1CCN(c2cccnc2)CC1 ZINC000221385594 359243585 /nfs/dbraw/zinc/24/35/85/359243585.db2.gz ZHRLRWIDDIWHKA-CQSZACIVSA-N 0 0 277.368 1.137 50 0 CDAARN O=C(NC1CCCCC1)[C@H]1CCN(c2cn[nH]c(=O)c2)C1 ZINC000257180185 359198769 /nfs/dbraw/zinc/19/87/69/359198769.db2.gz KGGSXLDOQJEINE-NSHDSACASA-N 0 0 290.367 1.045 50 0 CDAARN COc1nc(C)cc(C)c1CNC(=O)c1cccc(=O)[nH]1 ZINC000221248565 359222243 /nfs/dbraw/zinc/22/22/43/359222243.db2.gz MZBOWJUYHFJUEA-UHFFFAOYSA-N 0 0 287.319 1.325 50 0 CDAARN CCCNC(=O)c1nnc(C(=O)Nc2ccccc2)s1 ZINC000033061138 359286127 /nfs/dbraw/zinc/28/61/27/359286127.db2.gz OBWUREOEPOAYSD-UHFFFAOYSA-N 0 0 290.348 1.930 50 0 CDAARN Cc1cnc(NC(=O)CCNC(=O)c2ccoc2)s1 ZINC000032914359 359260879 /nfs/dbraw/zinc/26/08/79/359260879.db2.gz UJOBHWCWMMIESS-UHFFFAOYSA-N 0 0 279.321 1.803 50 0 CDAARN C[C@@H]1C[C@@H]1CNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000032383454 359267941 /nfs/dbraw/zinc/26/79/41/359267941.db2.gz TWJNHTHSXPPIBM-PSASIEDQSA-N 0 0 260.293 1.403 50 0 CDAARN O=C(CN1C(=O)COc2ccccc21)NCc1cccnc1 ZINC000000219702 359324272 /nfs/dbraw/zinc/32/42/72/359324272.db2.gz OPUOUFOSNCQOTM-UHFFFAOYSA-N 0 0 297.314 1.123 50 0 CDAARN O=C(N[C@@H]1CCOC[C@H]1O)c1ccnc2ccccc21 ZINC000222250930 359329094 /nfs/dbraw/zinc/32/90/94/359329094.db2.gz FAWVXMHEDCQUGK-ZIAGYGMSSA-N 0 0 272.304 1.114 50 0 CDAARN O=C(CCc1ccc(F)cc1F)NCCCn1cncn1 ZINC000223377740 359420405 /nfs/dbraw/zinc/42/04/05/359420405.db2.gz RFZBMOZKOVLZCZ-UHFFFAOYSA-N 0 0 294.305 1.695 50 0 CDAARN O=C(c1cnco1)N1CCCC[C@H]1CCn1cccn1 ZINC000223728070 359450972 /nfs/dbraw/zinc/45/09/72/359450972.db2.gz HUDWMQDLFXIRTO-LBPRGKRZSA-N 0 0 274.324 1.956 50 0 CDAARN O=C(C1CC1)N1CC[C@@H](Cc2nnc(C3CC3)[nH]2)C1 ZINC000257183487 359494397 /nfs/dbraw/zinc/49/43/97/359494397.db2.gz RQPLLTDLYXYKBV-VIFPVBQESA-N 0 0 260.341 1.483 50 0 CDAARN C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCCO1 ZINC000027882973 359503495 /nfs/dbraw/zinc/50/34/95/359503495.db2.gz WRZVNPZSDVPVNZ-YGRLFVJLSA-N 0 0 288.347 1.869 50 0 CDAARN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)CCO2 ZINC000029982520 359615250 /nfs/dbraw/zinc/61/52/50/359615250.db2.gz RIBCPWLGAUQDOC-ZDUSSCGKSA-N 0 0 291.347 1.939 50 0 CDAARN O=C1O[C@@H](Cc2ccccn2)[C@H](O)C1=C1SCCS1 ZINC000000383971 359665388 /nfs/dbraw/zinc/66/53/88/359665388.db2.gz UNTRFVCBFVJQGK-ONGXEEELSA-N 0 0 295.385 1.602 50 0 CDAARN Cc1ccc(NC(=O)CN2CCC(O)CC2)c(C)c1 ZINC000032664907 359682637 /nfs/dbraw/zinc/68/26/37/359682637.db2.gz WFQFADDAYGSDDT-UHFFFAOYSA-N 0 0 262.353 1.699 50 0 CDAARN COCCNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012390803 359686182 /nfs/dbraw/zinc/68/61/82/359686182.db2.gz LAXBFZIDAYAOLG-UHFFFAOYSA-N 0 0 286.291 1.594 50 0 CDAARN CC1(C)N=C(c2cccnc2)N(O)[C@@]1(O)c1ccccc1 ZINC000000300180 359903891 /nfs/dbraw/zinc/90/38/91/359903891.db2.gz RKGJTVCSPDBIRY-MRXNPFEDSA-N 0 0 283.331 1.566 50 0 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O=C([O-])c1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000244707922 376023944 /nfs/dbraw/zinc/02/39/44/376023944.db2.gz KKBXERGXWWKTHK-AWEZNQCLSA-N 0 0 260.337 1.665 50 0 CDAARN O=C(c1cccc(Cn2cccn2)c1)N1CCOCC1 ZINC000028575357 376136105 /nfs/dbraw/zinc/13/61/05/376136105.db2.gz PIZVGZVEAYFRTP-UHFFFAOYSA-N 0 0 271.320 1.404 50 0 CDAARN CCc1cc(C(=O)Nc2ccc3n[nH]nc3c2)n[nH]1 ZINC000089282754 376555002 /nfs/dbraw/zinc/55/50/02/376555002.db2.gz FZMDGFIMHSFERW-UHFFFAOYSA-N 0 0 256.269 1.496 50 0 CDAARN C[C@H](NC(=O)Cn1ccccc1=O)C1=CCCCC1 ZINC000670472120 483078422 /nfs/dbraw/zinc/07/84/22/483078422.db2.gz AKGWRSURMXPBOA-LBPRGKRZSA-N 0 0 260.337 1.853 50 0 CDAARN CCC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000376789931 376804503 /nfs/dbraw/zinc/80/45/03/376804503.db2.gz PIGFLTSUJGSXSV-ZIAGYGMSSA-N 0 0 262.353 1.714 50 0 CDAARN COc1cc(C(=O)N2CCCCC[C@H]2c2ncon2)on1 ZINC000189614937 377337314 /nfs/dbraw/zinc/33/73/14/377337314.db2.gz VICRAKGVGGLUBZ-VIFPVBQESA-N 0 0 292.295 1.824 50 0 CDAARN Cc1occc1C(=O)N1CCC[C@@H]1C(=O)N(C)C ZINC000032904085 377651369 /nfs/dbraw/zinc/65/13/69/377651369.db2.gz CHJMTAHLOSJPQE-LLVKDONJSA-N 0 0 250.298 1.281 50 0 CDAARN CCN(CC)S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000016623580 377879493 /nfs/dbraw/zinc/87/94/93/377879493.db2.gz ZXQPTHBQNZCLFO-UHFFFAOYSA-N 0 0 277.371 1.132 50 0 CDAARN O=C(c1ccccc1Cl)N1CC(N2C(=O)COC2=O)C1 ZINC000245060678 377850742 /nfs/dbraw/zinc/85/07/42/377850742.db2.gz PVEAJNHJBGDJLX-UHFFFAOYSA-N 0 0 294.694 1.143 50 0 CDAARN COc1cccc(C(=O)NCCC(=O)NC2CCCC2)c1 ZINC000016626315 377962855 /nfs/dbraw/zinc/96/28/55/377962855.db2.gz DLKQADVQDHZROA-UHFFFAOYSA-N 0 0 290.363 1.874 50 0 CDAARN Cc1ccc(N2CCN(S(C)(=O)=O)CC2)c(C)c1 ZINC000016650097 378199119 /nfs/dbraw/zinc/19/91/19/378199119.db2.gz HFIWXURRCWIXIK-UHFFFAOYSA-N 0 0 268.382 1.385 50 0 CDAARN CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@@H]2OS1(=O)=O ZINC000096838041 378457415 /nfs/dbraw/zinc/45/74/15/378457415.db2.gz QTTRZKVOSCVFJO-BDAKNGLRSA-N 0 0 277.342 1.810 50 0 CDAARN O=c1ccc(Br)nn1-c1ccccc1 ZINC000098213629 378642470 /nfs/dbraw/zinc/64/24/70/378642470.db2.gz KVNVMHMUXZOPNX-UHFFFAOYSA-N 0 0 251.083 1.995 50 0 CDAARN COC[C@](C)(O)CNC(=O)Nc1cccc(OC)c1OC ZINC000070644092 379433277 /nfs/dbraw/zinc/43/32/77/379433277.db2.gz RPFPZNJQSNPXST-CQSZACIVSA-N 0 0 298.339 1.223 50 0 CDAARN CCCCNC(=O)Cn1cnc2ccsc2c1=O ZINC000010215721 379622542 /nfs/dbraw/zinc/62/25/42/379622542.db2.gz JUKVHHSFUMJQIW-UHFFFAOYSA-N 0 0 265.338 1.374 50 0 CDAARN C[C@@H]1CCC(=O)[C@@H]([C@]2(O)c3ccccc3N(C)C2=O)C1 ZINC000004833835 296300528 /nfs/dbraw/zinc/30/05/28/296300528.db2.gz KFAODQBIWKOKBZ-RSAASHCRSA-N 0 0 273.332 1.856 50 0 CDAARN COc1ccc(NC(=S)N2CCN(C)CC2)cc1 ZINC000000037376 169512887 /nfs/dbraw/zinc/51/28/87/169512887.db2.gz CIUDPBBVVQPHBO-UHFFFAOYSA-N 0 0 265.382 1.639 50 0 CDAARN C[C@H](Sc1nnnn1C)C(=O)Nc1cccc(Cl)c1 ZINC000002649677 169818353 /nfs/dbraw/zinc/81/83/53/169818353.db2.gz ZLUROAAGHTZAHP-ZETCQYMHSA-N 0 0 297.771 1.983 50 0 CDAARN COc1cc(NC(=O)c2cnccn2)cc(OC)c1 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256875021 /nfs/dbraw/zinc/87/50/21/256875021.db2.gz UDQFAULAEZINRS-UHFFFAOYSA-N 0 0 291.332 1.705 50 0 CDAARN C[C@@]1(O)CCN(C(=O)CCc2ccc(F)cc2F)C[C@@H]1O ZINC000096165594 256886457 /nfs/dbraw/zinc/88/64/57/256886457.db2.gz DNENPEHCNJCURX-DZGCQCFKSA-N 0 0 299.317 1.242 50 0 CDAARN CC1=C(C(=O)N(C)C)[C@H](c2ccccc2F)NC(=O)N1 ZINC000000107410 390134055 /nfs/dbraw/zinc/13/40/55/390134055.db2.gz LLOHAHBTVZYJJJ-LBPRGKRZSA-N 0 0 277.299 1.542 50 0 CDAARN CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CCC1=O ZINC000001433347 390138496 /nfs/dbraw/zinc/13/84/96/390138496.db2.gz FGOJCPKOOGIRPA-SNVBAGLBSA-N 0 0 285.340 1.766 50 0 CDAARN O=C(OCCO)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000095349504 184949947 /nfs/dbraw/zinc/94/99/47/184949947.db2.gz GSQAUMBRJRHJQE-ZDUSSCGKSA-N 0 0 289.331 1.064 50 0 CDAARN CCc1nc(Cn2ncn3cccc3c2=O)cs1 ZINC000095383298 184960530 /nfs/dbraw/zinc/96/05/30/184960530.db2.gz WXHXIJHDHHWOIV-UHFFFAOYSA-N 0 0 260.322 1.563 50 0 CDAARN COC(=O)C1=C(C(=O)OC)C(C(=O)OC)CCCCC1=O ZINC000005248334 390160277 /nfs/dbraw/zinc/16/02/77/390160277.db2.gz DIDULYDGGTZLEQ-UHFFFAOYSA-N 0 0 298.291 1.188 50 0 CDAARN Cc1cc(Cl)ccc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000032912352 390219560 /nfs/dbraw/zinc/21/95/60/390219560.db2.gz XCNGZUJTBBELGS-CABZTGNLSA-N 0 0 299.779 1.798 50 0 CDAARN CCOC[C@@H]1CCN(C(=O)NCCC2=CCOCC2)C1 ZINC000095437055 184984165 /nfs/dbraw/zinc/98/41/65/184984165.db2.gz ORZKSQSEDNKPGF-CQSZACIVSA-N 0 0 282.384 1.791 50 0 CDAARN CNC(=O)NCC(=O)Nc1ccc(C)c2ncccc12 ZINC000095445115 184987892 /nfs/dbraw/zinc/98/78/92/184987892.db2.gz KSOQNSJFWZZILC-UHFFFAOYSA-N 0 0 272.308 1.411 50 0 CDAARN CCCOc1cc(CNC(=O)c2nccn2C)ccn1 ZINC000095462279 184993427 /nfs/dbraw/zinc/99/34/27/184993427.db2.gz OHSNQCRTFPNSCM-UHFFFAOYSA-N 0 0 274.324 1.534 50 0 CDAARN Cc1[nH]c2ccccc2c1[C@H]1[N-]C(=S)[NH+]=C(N)N1 ZINC000034927017 390405776 /nfs/dbraw/zinc/40/57/76/390405776.db2.gz DPYSTHUPQMJHCC-SNVBAGLBSA-N 0 0 259.338 1.477 50 0 CDAARN CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)NC)c1 ZINC000033359665 390389361 /nfs/dbraw/zinc/38/93/61/390389361.db2.gz GCOXZEHUYIJNHI-VIFPVBQESA-N 0 0 270.354 1.123 50 0 CDAARN C[C@H](CNc1ncnc2n[nH]cc21)CC1(C)OCCO1 ZINC000096429554 390518900 /nfs/dbraw/zinc/51/89/00/390518900.db2.gz LNUQCWRDTVWNKR-VIFPVBQESA-N 0 0 277.328 1.554 50 0 CDAARN COC(=O)N1CC[C@H](NC(=O)/C=C/c2cccc(F)c2)C1 ZINC000096426648 390517586 /nfs/dbraw/zinc/51/75/86/390517586.db2.gz HBFXLYAHJFWXSJ-GFUIURDCSA-N 0 0 292.310 1.796 50 0 CDAARN COC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)C(C)(C)C ZINC000096411570 390510332 /nfs/dbraw/zinc/51/03/32/390510332.db2.gz WRLMDUIACCMBNE-WOPDTQHZSA-N 0 0 293.367 1.228 50 0 CDAARN Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)CCS(C)(=O)=O ZINC000096419262 390513171 /nfs/dbraw/zinc/51/31/71/390513171.db2.gz KGOOQSBCGKRLEY-UONOGXRCSA-N 0 0 295.404 1.602 50 0 CDAARN CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2CCCO2)c1 ZINC000096423154 390514931 /nfs/dbraw/zinc/51/49/31/390514931.db2.gz HJNXUHCRQBOFGD-AWEZNQCLSA-N 0 0 290.363 1.226 50 0 CDAARN C[C@@H](c1cccnc1)N1CCN([C@H]2CCOC2=O)CC1 ZINC000096424342 390516180 /nfs/dbraw/zinc/51/61/80/390516180.db2.gz ZRHCWBBWGNFIDA-JSGCOSHPSA-N 0 0 275.352 1.076 50 0 CDAARN CCO[C@H]1C[C@H](NC(=O)Cc2cnn(C)c2)C12CCCC2 ZINC000096432565 390520034 /nfs/dbraw/zinc/52/00/34/390520034.db2.gz ZKEHDDTZAQELPH-KBPBESRZSA-N 0 0 291.395 1.817 50 0 CDAARN COCc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 ZINC000095499023 390911256 /nfs/dbraw/zinc/91/12/56/390911256.db2.gz SZZVRJAVZKAMEW-UHFFFAOYSA-N 0 0 258.277 1.400 50 0 CDAARN Cc1noc([C@H]2CC(=O)N(Cc3cccnc3)C2)n1 ZINC000096150706 390913083 /nfs/dbraw/zinc/91/30/83/390913083.db2.gz YWPRJXGUDXOCLQ-NSHDSACASA-N 0 0 258.281 1.289 50 0 CDAARN O=C(c1ccccc1O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000181389599 390915838 /nfs/dbraw/zinc/91/58/38/390915838.db2.gz WIQRXAIDUSTNND-NSHDSACASA-N 0 0 272.308 1.878 50 0 CDAARN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)c1cn(C)cn1 ZINC000184806117 391005802 /nfs/dbraw/zinc/00/58/02/391005802.db2.gz JIEDCFQWUUEFPE-WCQYABFASA-N 0 0 265.357 1.744 50 0 CDAARN CCOc1ccccc1CNC(=O)c1ccc[nH]c1=O 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Nc1cccc(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)n1 ZINC000215052029 189691183 /nfs/dbraw/zinc/69/11/83/189691183.db2.gz FLYLVBXMWCZBGU-LLVKDONJSA-N 0 0 291.351 1.122 50 0 CDAARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000206695982 189685228 /nfs/dbraw/zinc/68/52/28/189685228.db2.gz NLJSHHGHRWLSJG-SNVBAGLBSA-N 0 0 280.349 1.202 50 0 CDAARN Cc1nc(CCCNC(=O)c2cn[nH]c2)sc1C ZINC000215984087 189698706 /nfs/dbraw/zinc/69/87/06/189698706.db2.gz FGWALLKIMASTCU-UHFFFAOYSA-N 0 0 264.354 1.846 50 0 CDAARN Cc1nsc(NC2CC2)c1C(=O)Nc1ncnn1C ZINC000293768955 370788863 /nfs/dbraw/zinc/78/88/63/370788863.db2.gz QQURJAUIGMECRL-UHFFFAOYSA-N 0 0 278.341 1.407 50 0 CDAARN O=C(c1ccc(=O)[nH]c1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000221369617 189725811 /nfs/dbraw/zinc/72/58/11/189725811.db2.gz SSHRIMLLPUHASB-INIZCTEOSA-N 0 0 284.315 1.109 50 0 CDAARN CCS(=O)(=O)Nc1ccnn1-c1ccccc1C ZINC000130073225 370804873 /nfs/dbraw/zinc/80/48/73/370804873.db2.gz PAXRLHDSPLWFJO-UHFFFAOYSA-N 0 0 265.338 1.942 50 0 CDAARN Cc1ccc(C)c(C(=O)OCCCNC(N)=O)c1 ZINC000089611976 366887307 /nfs/dbraw/zinc/88/73/07/366887307.db2.gz RXQMNZBBBCTMKT-UHFFFAOYSA-N 0 0 250.298 1.519 50 0 CDAARN Cc1c[nH]c(NC(=O)c2cccc3ncccc32)n1 ZINC000089702197 366915804 /nfs/dbraw/zinc/91/58/04/366915804.db2.gz ZJBGKBCMHAXQIF-UHFFFAOYSA-N 0 0 252.277 1.941 50 0 CDAARN Cc1nccn1CCSc1nnnn1C1CC1 ZINC000089735745 366923251 /nfs/dbraw/zinc/92/32/51/366923251.db2.gz DMSKKCGDYGPPKV-UHFFFAOYSA-N 0 0 250.331 1.305 50 0 CDAARN CCC1(CC)CC(=O)N(Cc2nsc(N(C)C)n2)C1=O ZINC000089739082 366924642 /nfs/dbraw/zinc/92/46/42/366924642.db2.gz HUTGGBLHELZZCR-UHFFFAOYSA-N 0 0 296.396 1.669 50 0 CDAARN FC(F)(F)Cn1ccnc1CSc1cn[nH]n1 ZINC000089884685 366952539 /nfs/dbraw/zinc/95/25/39/366952539.db2.gz GZYGPZSQQRVYCS-UHFFFAOYSA-N 0 0 263.248 1.856 50 0 CDAARN CC(C)c1cnc(Cn2nc3ccccn3c2=O)o1 ZINC000089893517 366957072 /nfs/dbraw/zinc/95/70/72/366957072.db2.gz PBPZTFVRPCEXFH-UHFFFAOYSA-N 0 0 258.281 1.656 50 0 CDAARN C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H](C)C1CCC1 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367648251 /nfs/dbraw/zinc/64/82/51/367648251.db2.gz SQYBMEGYUJYYGO-SECBINFHSA-N 0 0 255.391 1.800 50 0 CDAARN CC[C@@H](C)n1[nH]c(=NC(=O)N=c2cc[nH][nH]2)cc1C ZINC000390835730 367736266 /nfs/dbraw/zinc/73/62/66/367736266.db2.gz WIPOSHFVYWECHM-MRVPVSSYSA-N 0 0 262.317 1.373 50 0 CDAARN O=C(Cn1cccc1)N1CCC[C@@H](Oc2cnccn2)C1 ZINC000225473110 189753980 /nfs/dbraw/zinc/75/39/80/189753980.db2.gz LNTODSJYUJOKOT-CYBMUJFWSA-N 0 0 286.335 1.348 50 0 CDAARN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000252538723 367811311 /nfs/dbraw/zinc/81/13/11/367811311.db2.gz NFWPXIRHGFSMDY-ZANVPECISA-N 0 0 265.357 1.188 50 0 CDAARN CC[C@H](C)[C@H](CO)NC(=O)c1cc(CC(C)C)n[nH]1 ZINC000252527476 367784373 /nfs/dbraw/zinc/78/43/73/367784373.db2.gz CQCUJTNAQLSDBL-GWCFXTLKSA-N 0 0 267.373 1.745 50 0 CDAARN CCC(=O)N1CCCN(C(=O)c2cc(C3CC3)on2)CC1 ZINC000252527873 367785960 /nfs/dbraw/zinc/78/59/60/367785960.db2.gz DOUKNHHZBYIGJH-UHFFFAOYSA-N 0 0 291.351 1.637 50 0 CDAARN C[C@@H]1C[C@@H]1c1nc([C@@H]2CCCN2S(C)(=O)=O)no1 ZINC000252536163 367786810 /nfs/dbraw/zinc/78/68/10/367786810.db2.gz HRZWCMLRXZGEQV-VGMNWLOBSA-N 0 0 271.342 1.290 50 0 CDAARN Cc1nnsc1C(=O)N1CCC2(CC1)OCCCO2 ZINC000075156615 367933192 /nfs/dbraw/zinc/93/31/92/367933192.db2.gz NOLIOXRCJJPBRI-UHFFFAOYSA-N 0 0 283.353 1.216 50 0 CDAARN CCOC(=O)CCn1cc(-c2nc(C)no2)ccc1=O ZINC000075165629 367959161 /nfs/dbraw/zinc/95/91/61/367959161.db2.gz LEOMDHNGFPFNFN-UHFFFAOYSA-N 0 0 277.280 1.160 50 0 CDAARN Cc1cccnc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000012554000 369322368 /nfs/dbraw/zinc/32/23/68/369322368.db2.gz GLUPZJUDSZECRY-UHFFFAOYSA-N 0 0 294.314 1.808 50 0 CDAARN COC1=N[S@@](=O)N=C1Nc1cccc(Cl)c1 ZINC000252627058 369412058 /nfs/dbraw/zinc/41/20/58/369412058.db2.gz RLAALQSQMDSJLQ-INIZCTEOSA-N 0 0 257.702 1.788 50 0 CDAARN CS(=O)(=O)N1CCN=C1SCc1cccc(F)c1 ZINC000002711410 169822004 /nfs/dbraw/zinc/82/20/04/169822004.db2.gz XZSHLHYWZKIBHB-UHFFFAOYSA-N 0 0 288.369 1.690 50 0 CDAARN COc1ccc(F)cc1CC(=O)N[C@H]1CCN(C(N)=O)C1 ZINC000331119205 203553724 /nfs/dbraw/zinc/55/37/24/203553724.db2.gz NTOHTCOYPBBBPO-NSHDSACASA-N 0 0 295.314 1.060 50 0 CDAARN Cn1cccc1C(=O)OCC(=O)NCCc1ccccc1 ZINC000003512167 370003040 /nfs/dbraw/zinc/00/30/40/370003040.db2.gz RLSFCTUMJORJKZ-UHFFFAOYSA-N 0 0 286.331 1.541 50 0 CDAARN O=C(COC(=O)c1ccc(F)cc1)NCc1ccco1 ZINC000003619178 370341965 /nfs/dbraw/zinc/34/19/65/370341965.db2.gz FEAYZLZEMOGLMN-UHFFFAOYSA-N 0 0 277.251 1.892 50 0 CDAARN Cn1nccc1-c1cncc(CNC(=O)NC2CC2)c1 ZINC000575609269 370635367 /nfs/dbraw/zinc/63/53/67/370635367.db2.gz TYCMESCPRFTEFE-UHFFFAOYSA-N 0 0 271.324 1.444 50 0 CDAARN O=C(NC[C@@H](c1ccco1)n1cccn1)[C@H]1CCOC1 ZINC000575605601 370609212 /nfs/dbraw/zinc/60/92/12/370609212.db2.gz RJFIELOYXAOKPO-RYUDHWBXSA-N 0 0 275.308 1.218 50 0 CDAARN O=C(c1cccc(F)c1)N1CC[C@H](Oc2ncccn2)C1 ZINC000575605678 370609856 /nfs/dbraw/zinc/60/98/56/370609856.db2.gz MGMMWNDIAYFMGI-ZDUSSCGKSA-N 0 0 287.294 1.909 50 0 CDAARN Cn1cc(-c2nccnc2CNC(=O)[C@H]2CC=CCC2)cn1 ZINC000575605885 370613019 /nfs/dbraw/zinc/61/30/19/370613019.db2.gz CIZXLNORNDDPQX-LBPRGKRZSA-N 0 0 297.362 1.850 50 0 CDAARN CC(=O)c1cc(CC(=O)NCc2csc(N)n2)cs1 ZINC000670439413 482983190 /nfs/dbraw/zinc/98/31/90/482983190.db2.gz QBCWDRDCACKXII-UHFFFAOYSA-N 0 0 295.389 1.848 50 0 CDAARN O=C(c1ccc(-n2cnnn2)cc1)N1CCc2ccccc21 ZINC000012613339 372107119 /nfs/dbraw/zinc/10/71/19/372107119.db2.gz OYSMIIUHQJWVIC-UHFFFAOYSA-N 0 0 291.314 1.865 50 0 CDAARN Cn1nc2c(c1NC(=O)NC[C@@H]1CCCO1)CCC2 ZINC000299766285 372748500 /nfs/dbraw/zinc/74/85/00/372748500.db2.gz MWHKDECIINSCJH-VIFPVBQESA-N 0 0 264.329 1.209 50 0 CDAARN Cc1nc(N)sc1-c1ccn(CCN2CCOCC2)n1 ZINC000299769622 372750720 /nfs/dbraw/zinc/75/07/20/372750720.db2.gz QSRYEAAIFDXMHU-UHFFFAOYSA-N 0 0 293.396 1.229 50 0 CDAARN CCc1nc2cc(NC(=O)N(C)CCO)ccc2[nH]1 ZINC000299774179 372753017 /nfs/dbraw/zinc/75/30/17/372753017.db2.gz DPCNKXGMNWXODA-UHFFFAOYSA-N 0 0 262.313 1.581 50 0 CDAARN Cc1nc([C@@H](C)NC(=O)c2cncn2C)c(C)s1 ZINC000299788017 372762348 /nfs/dbraw/zinc/76/23/48/372762348.db2.gz ZUZJTEYRKPVXOP-SSDOTTSWSA-N 0 0 264.354 1.984 50 0 CDAARN CSCCN1CCN(C(=O)Cc2ccccc2O)CC1 ZINC000299797500 372768673 /nfs/dbraw/zinc/76/86/73/372768673.db2.gz OJVDGVAXWXBRER-UHFFFAOYSA-N 0 0 294.420 1.442 50 0 CDAARN COCc1nc(CNC(=O)[C@H]2C(C)=C2c2ccccc2)no1 ZINC000299799652 372771403 /nfs/dbraw/zinc/77/14/03/372771403.db2.gz UGOVWPFZTUTBSD-HNNXBMFYSA-N 0 0 299.330 1.936 50 0 CDAARN CCc1ncn(CC(=O)N[C@H]2CCCC[C@@H]2C)n1 ZINC000241371387 189903582 /nfs/dbraw/zinc/90/35/82/189903582.db2.gz MNDWHDBKPCZRCB-QWRGUYRKSA-N 0 0 250.346 1.535 50 0 CDAARN C[C@@]1(C(=O)NCCCn2ccnc2)CC1(Cl)Cl ZINC000003613405 373281327 /nfs/dbraw/zinc/28/13/27/373281327.db2.gz ZZDBOPMEOKWIPD-JTQLQIEISA-N 0 0 276.167 1.973 50 0 CDAARN Cc1nnsc1C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000253395884 373685628 /nfs/dbraw/zinc/68/56/28/373685628.db2.gz CRKPICUMPVIMPR-NSHDSACASA-N 0 0 290.348 1.535 50 0 CDAARN C[C@H]1CN(C(=O)N(C)C2CCCC2)C[C@@]2(CCOC2)O1 ZINC000253397945 373685883 /nfs/dbraw/zinc/68/58/83/373685883.db2.gz HFCJQDCHJDMKDN-SWLSCSKDSA-N 0 0 282.384 1.861 50 0 CDAARN Cc1cc(CCNC(=O)c2c(C)nn(C)c2C)nn1C ZINC000253401193 373689150 /nfs/dbraw/zinc/68/91/50/373689150.db2.gz MPEMRFDDNIJTSX-UHFFFAOYSA-N 0 0 275.356 1.051 50 0 CDAARN CC[C@@H](C)[C@](C)(O)CNC(=O)Cc1c(C)n[nH]c1C ZINC000253425435 373732996 /nfs/dbraw/zinc/73/29/96/373732996.db2.gz KQBOELZLVARATJ-YMTOWFKASA-N 0 0 267.373 1.482 50 0 CDAARN Cn1cc([C@H](O)C(=O)OCc2cccc(F)c2)cn1 ZINC000253427123 373734122 /nfs/dbraw/zinc/73/41/22/373734122.db2.gz DGVLRPJTTJTCTJ-LBPRGKRZSA-N 0 0 264.256 1.336 50 0 CDAARN CC(C)[C@H](Cn1nccn1)NC(=O)Cc1ccsc1 ZINC000253472831 373806011 /nfs/dbraw/zinc/80/60/11/373806011.db2.gz PTEUHPMKELIVNX-LBPRGKRZSA-N 0 0 278.381 1.723 50 0 CDAARN CCOc1cccc(/C=C2\NC(=S)NC2=O)c1O ZINC000015011778 373838090 /nfs/dbraw/zinc/83/80/90/373838090.db2.gz SXGTWDDOHKRUPD-VURMDHGXSA-N 0 0 264.306 1.136 50 0 CDAARN COc1ccc(Cl)cc1NC(=O)c1cn[nH]n1 ZINC000048888923 373979527 /nfs/dbraw/zinc/97/95/27/373979527.db2.gz GVDRKVHMPNYHCQ-UHFFFAOYSA-N 0 0 252.661 1.719 50 0 CDAARN CCOc1cc(N2CCC[C@H](NC(=O)C(C)C)C2)ncn1 ZINC000123295959 374134995 /nfs/dbraw/zinc/13/49/95/374134995.db2.gz NISQDNOOEZIOAC-LBPRGKRZSA-N 0 0 292.383 1.616 50 0 CDAARN CSC[C@@](C)(O)CNC(=O)/C=C/c1ccoc1 ZINC000206714690 374180860 /nfs/dbraw/zinc/18/08/60/374180860.db2.gz NHAZADVJSKNKJW-PCAWENJQSA-N 0 0 255.339 1.523 50 0 CDAARN COC(=O)C(CCC[C@H]1O[C@H](C)[C@H](C)O1)C(=O)OC ZINC000247996762 189943906 /nfs/dbraw/zinc/94/39/06/189943906.db2.gz DDRIOKJVFMMWEC-JZYVYDRUSA-N 0 0 274.313 1.269 50 0 CDAARN COc1cc2c(cc1OC)C(=CC(=O)n1ccnc1)NCC2 ZINC000101383243 374154510 /nfs/dbraw/zinc/15/45/10/374154510.db2.gz PYURJFLTPHNARW-LCYFTJDESA-N 0 0 299.330 1.727 50 0 biogenic CDAARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c1 ZINC000100794834 374159726 /nfs/dbraw/zinc/15/97/26/374159726.db2.gz YLKIPOXBFBBBTA-NSHDSACASA-N 0 0 287.315 1.888 50 0 biogenic CDAARN CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000002367866 374165975 /nfs/dbraw/zinc/16/59/75/374165975.db2.gz WBNZHSMTLINQEM-LBPRGKRZSA-N 0 0 264.325 1.480 50 0 CDAARN O=C(N[C@H]1CCN(c2nccs2)C1)C1CCC1 ZINC000206806493 374199196 /nfs/dbraw/zinc/19/91/96/374199196.db2.gz LPYXTAPOHBLHSI-JTQLQIEISA-N 0 0 251.355 1.638 50 0 CDAARN CC(C)COC(=O)CC[C@@H](N)C(=O)OCC(C)C ZINC000055124476 374226837 /nfs/dbraw/zinc/22/68/37/374226837.db2.gz RLVFZJURDMXLSL-LLVKDONJSA-N 0 0 259.346 1.492 50 0 CDAARN CC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C)NC2=O)cc1 ZINC000002448356 374550847 /nfs/dbraw/zinc/55/08/47/374550847.db2.gz AHFAKUFUKFERKD-ZANVPECISA-N 0 0 274.320 1.742 50 0 CDAARN C[C@H](NC(=O)Cc1sc(N)nc1O)c1ccccc1 ZINC000013151272 374657891 /nfs/dbraw/zinc/65/78/91/374657891.db2.gz PAQVLOMEBGZZRY-WPRPVWTQSA-N 0 0 277.349 1.211 50 0 CDAARN CCOC1(C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)CCCC1 ZINC000252480255 189975448 /nfs/dbraw/zinc/97/54/48/189975448.db2.gz BZAZNANGABXAAL-VXGBXAGGSA-N 0 0 282.384 1.496 50 0 CDAARN Cc1cc2n(n1)CCN(Cc1nnc(C3CC3)o1)C2 ZINC000252488432 189976683 /nfs/dbraw/zinc/97/66/83/189976683.db2.gz IRTCOGOVSCCBAF-UHFFFAOYSA-N 0 0 259.313 1.468 50 0 CDAARN COCCC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000093470422 374758481 /nfs/dbraw/zinc/75/84/81/374758481.db2.gz PDMYNADGWNUAOY-UPJWGTAASA-N 0 0 255.358 1.565 50 0 CDAARN Cc1cc(NC(=O)Cc2ccc3c(c2)OCC3)nn1C ZINC000079483499 374814497 /nfs/dbraw/zinc/81/44/97/374814497.db2.gz ORFUVTOOYRMKHZ-UHFFFAOYSA-N 0 0 271.320 1.845 50 0 CDAARN COCC1(CNC(=O)N[C@@H](C)CSC)CCC1 ZINC000252499029 189978616 /nfs/dbraw/zinc/97/86/16/189978616.db2.gz RTZKWLBHEKQTGP-JTQLQIEISA-N 0 0 260.403 1.854 50 0 CDAARN COC(=O)[C@]1(F)CCN(Cc2ccc(OC)cc2)C1 ZINC000093888052 374792211 /nfs/dbraw/zinc/79/22/11/374792211.db2.gz KEWAYQGAAQXGHA-AWEZNQCLSA-N 0 0 267.300 1.782 50 0 CDAARN CC(C)CNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000095348897 374884405 /nfs/dbraw/zinc/88/44/05/374884405.db2.gz IUADSXBQVDMORI-MRXNPFEDSA-N 0 0 290.407 1.957 50 0 CDAARN CCC(=O)NC[C@H](NC(=O)CC)c1ccccc1OC ZINC000095396156 374901734 /nfs/dbraw/zinc/90/17/34/374901734.db2.gz ABMHJIJINRZQRA-LBPRGKRZSA-N 0 0 278.352 1.789 50 0 CDAARN CO[C@@H](C(=O)O[C@H](C)C(=O)N(C)C)c1ccccc1 ZINC000095360811 374889694 /nfs/dbraw/zinc/88/96/94/374889694.db2.gz PMBSBKCNPAKRNE-ZYHUDNBSSA-N 0 0 265.309 1.394 50 0 CDAARN COCc1nc(C)cc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000095412255 374915132 /nfs/dbraw/zinc/91/51/32/374915132.db2.gz QDOSKBCLXWRHKS-NEPJUHHUSA-N 0 0 290.367 1.179 50 0 CDAARN C[C@@H]1CN(CCNC(=O)NC2CC=CC2)C[C@@H](C)O1 ZINC000095414014 374916758 /nfs/dbraw/zinc/91/67/58/374916758.db2.gz RNTVSRRMGSIXOD-VXGBXAGGSA-N 0 0 267.373 1.113 50 0 CDAARN CC(C)N(C)C(=O)Nc1ccn(CCCC(=O)N(C)C)n1 ZINC000095416116 374918261 /nfs/dbraw/zinc/91/82/61/374918261.db2.gz CHAGHJVCUMMVAD-UHFFFAOYSA-N 0 0 295.387 1.624 50 0 CDAARN CCNC(=O)NC(=O)[C@@H](C)N(C)[C@@H](C)c1ccco1 ZINC000095430197 374932958 /nfs/dbraw/zinc/93/29/58/374932958.db2.gz QJYGNQYVJXZVBA-VHSXEESVSA-N 0 0 267.329 1.507 50 0 CDAARN COC[C@H](Nc1nc2ccccc2s1)C(N)=O ZINC000095442273 374943111 /nfs/dbraw/zinc/94/31/11/374943111.db2.gz SLMUHBNCDAPTSU-QMMMGPOBSA-N 0 0 251.311 1.209 50 0 CDAARN COc1ccc(NC(=O)[C@@H]2COCCN2C(C)=O)cc1F ZINC000095440941 374943204 /nfs/dbraw/zinc/94/32/04/374943204.db2.gz OGGZOGMOBMEYTK-LBPRGKRZSA-N 0 0 296.298 1.020 50 0 CDAARN CC(C)(CCCO)CNC(=O)NCc1ccco1 ZINC000095458693 374955576 /nfs/dbraw/zinc/95/55/76/374955576.db2.gz PUNTXRMCTSSWIH-UHFFFAOYSA-N 0 0 254.330 1.878 50 0 CDAARN CC1(CNC(=O)NC[C@@]2(O)CCOC2)CCCCCC1 ZINC000095463914 374959412 /nfs/dbraw/zinc/95/94/12/374959412.db2.gz MFHONEYQGRZBFE-HNNXBMFYSA-N 0 0 284.400 1.798 50 0 CDAARN CO[C@H](C)C(=O)Nc1ccc2ncc(Cl)n2c1 ZINC000095462435 374959516 /nfs/dbraw/zinc/95/95/16/374959516.db2.gz IEADDLGPZDKSOO-SSDOTTSWSA-N 0 0 253.689 1.961 50 0 CDAARN Cc1cc(C)nc(NCCC(=O)NCCc2ccncc2)n1 ZINC000095473432 374967697 /nfs/dbraw/zinc/96/76/97/374967697.db2.gz VFQXMUGYHIWSJO-UHFFFAOYSA-N 0 0 299.378 1.649 50 0 CDAARN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccco1)CC2 ZINC000095400682 374906588 /nfs/dbraw/zinc/90/65/88/374906588.db2.gz KHOIVZNHCZNPIE-QWHCGFSZSA-N 0 0 279.336 1.672 50 0 CDAARN O=C1[C@@H](Nc2ccc(Cl)cn2)CCN1C1CCOCC1 ZINC000095406406 374909938 /nfs/dbraw/zinc/90/99/38/374909938.db2.gz ZNCOMAVHGKIUIG-LBPRGKRZSA-N 0 0 295.770 1.927 50 0 CDAARN O=c1[nH]c(N[C@H]2CCCC[C@@H]2O)nc2ccccc21 ZINC000095408250 374911188 /nfs/dbraw/zinc/91/11/88/374911188.db2.gz HUKJENFSRBYEMI-RYUDHWBXSA-N 0 0 259.309 1.639 50 0 CDAARN Cc1nc2ccc(C(=O)NCCc3c[nH]cn3)cc2nc1C ZINC000096344632 375088113 /nfs/dbraw/zinc/08/81/13/375088113.db2.gz JAPKZNLQYSFAMB-UHFFFAOYSA-N 0 0 295.346 1.942 50 0 CDAARN CN(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000096404628 375094821 /nfs/dbraw/zinc/09/48/21/375094821.db2.gz FZTZZHKZJHISER-UHFFFAOYSA-N 0 0 252.289 1.364 50 0 CDAARN COCC[C@H]1CCCCN(C(=O)CC2OCCCO2)C1 ZINC000253392536 189987507 /nfs/dbraw/zinc/98/75/07/189987507.db2.gz FTJDHDAXRUSNDN-CYBMUJFWSA-N 0 0 285.384 1.805 50 0 CDAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1cc(C)ccn1 ZINC000027993908 375171858 /nfs/dbraw/zinc/17/18/58/375171858.db2.gz NAGUGGKJRSYGBB-UHFFFAOYSA-N 0 0 284.275 1.780 50 0 CDAARN O=C(c1ccsc1)N1CC[C@@H](Oc2cnccn2)C1 ZINC000225794054 375204987 /nfs/dbraw/zinc/20/49/87/375204987.db2.gz RBGXXWWTSZLXFC-LLVKDONJSA-N 0 0 275.333 1.832 50 0 CDAARN NC(=O)NC(=O)COC(=O)c1ccc2ccccc2c1 ZINC000002652461 375287207 /nfs/dbraw/zinc/28/72/07/375287207.db2.gz WKANDSSRBITRSW-UHFFFAOYSA-N 0 0 272.260 1.192 50 0 CDAARN CCc1nnsc1C(=O)n1ccccc1=NC(C)C ZINC000254647317 375313348 /nfs/dbraw/zinc/31/33/48/375313348.db2.gz XZQFVSOFTINQRU-UHFFFAOYSA-N 0 0 276.365 1.900 50 0 CDAARN CCn1cc(Cl)c(C(=O)N2CC[C@@H](c3ncon3)C2)n1 ZINC000253472082 189993191 /nfs/dbraw/zinc/99/31/91/189993191.db2.gz IXXPMYNLXGCCRM-MRVPVSSYSA-N 0 0 295.730 1.569 50 0 CDAARN COc1ccc(-n2cc(C(=O)NC3CCCC3)nn2)cc1 ZINC000057511643 375520053 /nfs/dbraw/zinc/52/00/53/375520053.db2.gz LDQNTHNGGLUDCY-UHFFFAOYSA-N 0 0 286.335 1.948 50 0 CDAARN O=C(COC(=O)c1ccc(O)cc1)NCc1ccccc1 ZINC000003229634 375594409 /nfs/dbraw/zinc/59/44/09/375594409.db2.gz NDCQEWAFMIAGPU-UHFFFAOYSA-N 0 0 285.299 1.865 50 0 CDAARN C[N@@H+]1CCC[C@H](OC(=O)c2cccnc2Cl)C1 ZINC000003258345 375607847 /nfs/dbraw/zinc/60/78/47/375607847.db2.gz GEDUDMCWPWEXNG-VIFPVBQESA-N 0 0 254.717 1.986 50 0 CDAARN CNC(=O)C[C@H]1CCN(Cc2noc(C(C)C)n2)C1 ZINC000670466659 483056882 /nfs/dbraw/zinc/05/68/82/483056882.db2.gz OXNCXEGZSPDSEU-SNVBAGLBSA-N 0 0 266.345 1.151 50 0 CDAARN CC(C)(C)NC(=O)NC(=O)CSc1nncs1 ZINC000003389499 375676304 /nfs/dbraw/zinc/67/63/04/375676304.db2.gz JSLMZQRZYCLQAP-UHFFFAOYSA-N 0 0 274.371 1.255 50 0 CDAARN CN(C)S(=O)(=O)c1cccc(CNCc2ccco2)c1 ZINC000003440307 375696478 /nfs/dbraw/zinc/69/64/78/375696478.db2.gz RESGFNCOLSRCBD-UHFFFAOYSA-N 0 0 294.376 1.820 50 0 CDAARN Cc1cc(C(=O)CSc2nnnn2C)c(C)n1C1CC1 ZINC000003513231 375731310 /nfs/dbraw/zinc/73/13/10/375731310.db2.gz QPSXHABZPXAWDK-UHFFFAOYSA-N 0 0 291.380 1.938 50 0 CDAARN Cc1cc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)on1 ZINC000031076909 375734282 /nfs/dbraw/zinc/73/42/82/375734282.db2.gz JOKLCDNXEKLIOT-ZDUSSCGKSA-N 0 0 285.303 1.646 50 0 CDAARN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccnc1Cl ZINC000003520860 375735297 /nfs/dbraw/zinc/73/52/97/375735297.db2.gz FARTVDJVISGHHB-SSDOTTSWSA-N 0 0 299.714 1.126 50 0 CDAARN CCCCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000003592605 375757330 /nfs/dbraw/zinc/75/73/30/375757330.db2.gz SMEWLIQHZVNGMK-UHFFFAOYSA-N 0 0 295.383 1.403 50 0 CDAARN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCc1cccs1 ZINC000031489781 375801518 /nfs/dbraw/zinc/80/15/18/375801518.db2.gz UPINSIURVRAZBM-PWSUYJOCSA-N 0 0 280.393 1.569 50 0 CDAARN O=C(NCCCOC1CCCCC1)[C@@H]1CCC(=O)NC1 ZINC000047774629 375819279 /nfs/dbraw/zinc/81/92/79/375819279.db2.gz JJTWOHPHNLILTO-GFCCVEGCSA-N 0 0 282.384 1.368 50 0 CDAARN C/C=C\[C@@H](O)C(=O)NCc1nccn1CCc1ccccc1 ZINC000606445160 375826269 /nfs/dbraw/zinc/82/62/69/375826269.db2.gz RAQOJOASGLWUKP-ANPLFTBSSA-N 0 0 299.374 1.679 50 0 CDAARN COC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccccc4C)C(=O)[C@H]13)O2 ZINC000004040557 375853679 /nfs/dbraw/zinc/85/36/79/375853679.db2.gz NDOPUHIEVZKCTM-VWPFQQQWSA-N 0 0 299.326 1.454 50 0 biogenic CDAARN CC(C)C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)[O-] ZINC000004084568 375862720 /nfs/dbraw/zinc/86/27/20/375862720.db2.gz GYVUWWRUCKEIRV-KBPBESRZSA-N 0 0 290.363 1.316 50 0 biogenic CDAARN O=C(Nc1cccnc1)c1cnc2sccn2c1=O ZINC000004232285 375936356 /nfs/dbraw/zinc/93/63/56/375936356.db2.gz BZEWSYFJTLHFPD-UHFFFAOYSA-N 0 0 272.289 1.403 50 0 CDAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ncccn1 ZINC000004247316 375937843 /nfs/dbraw/zinc/93/78/43/375937843.db2.gz ASILKWGVIXCCOR-GFCCVEGCSA-N 0 0 287.275 1.775 50 0 CDAARN C[C@@H]1C[C@H]1C(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000241837563 376019958 /nfs/dbraw/zinc/01/99/58/376019958.db2.gz SLDWXHBNQFNLNV-WISYIIOYSA-N 0 0 253.342 1.975 50 0 CDAARN Cc1ccncc1NC(=O)NCCCN1CCCC1=O ZINC000089281278 376114860 /nfs/dbraw/zinc/11/48/60/376114860.db2.gz DAHGGNYCTLJEGH-UHFFFAOYSA-N 0 0 276.340 1.524 50 0 CDAARN COc1ccc(C(=O)CC[N@H+](C)CC(=O)[O-])cc1 ZINC000001900138 376661454 /nfs/dbraw/zinc/66/14/54/376661454.db2.gz JVVOTBWQGYWMOM-UHFFFAOYSA-N 0 0 251.282 1.284 50 0 CDAARN Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000070158294 376749554 /nfs/dbraw/zinc/74/95/54/376749554.db2.gz CFFLEGIJOYQQEX-UHFFFAOYSA-N 0 0 252.277 1.819 50 0 CDAARN CCc1ccccc1CN(C)CC(=O)N1CCOCC1 ZINC000188815644 377087544 /nfs/dbraw/zinc/08/75/44/377087544.db2.gz HNISGBHVOSSRHY-UHFFFAOYSA-N 0 0 276.380 1.540 50 0 CDAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(N)=O ZINC000001378768 377196022 /nfs/dbraw/zinc/19/60/22/377196022.db2.gz BLWXATZMRYVFBH-LURJTMIESA-N 0 0 293.304 1.431 50 0 CDAARN CC(C)NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 ZINC000008707870 377237749 /nfs/dbraw/zinc/23/77/49/377237749.db2.gz SEEXTOKXXAYJHH-CYBMUJFWSA-N 0 0 293.386 1.861 50 0 CDAARN CONC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000025822363 377286616 /nfs/dbraw/zinc/28/66/16/377286616.db2.gz DDFWORQRZZTBEB-MRVPVSSYSA-N 0 0 298.726 1.379 50 0 CDAARN O=C(NCCN1CCc2ccccc2C1=O)c1ccon1 ZINC000190203603 377563625 /nfs/dbraw/zinc/56/36/25/377563625.db2.gz NMXFTUBKFZYURP-UHFFFAOYSA-N 0 0 285.303 1.103 50 0 CDAARN O=C(Cc1ccc(F)cc1F)N1CC[C@@H](n2nccn2)C1 ZINC000244933115 377803557 /nfs/dbraw/zinc/80/35/57/377803557.db2.gz CBZONIIEOZVJHK-GFCCVEGCSA-N 0 0 292.289 1.572 50 0 CDAARN CCc1nsc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 ZINC000089295652 377813106 /nfs/dbraw/zinc/81/31/06/377813106.db2.gz ZUBPMXVZDQQDRA-SSDOTTSWSA-N 0 0 252.343 1.276 50 0 CDAARN Cc1cc(C)cc(C(=O)N2CC[C@H](n3nccn3)C2)c1 ZINC000244970237 377815612 /nfs/dbraw/zinc/81/56/12/377815612.db2.gz HOWDJLBKUZUVBO-AWEZNQCLSA-N 0 0 270.336 1.982 50 0 CDAARN CSCC[C@H](C)NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000245339356 378072016 /nfs/dbraw/zinc/07/20/16/378072016.db2.gz SEUBJBZOSXIXBX-SDDRHHMPSA-N 0 0 274.430 1.978 50 0 CDAARN CNC(=O)c1nnsc1-n1cnc2ccccc21 ZINC000001416839 378164633 /nfs/dbraw/zinc/16/46/33/378164633.db2.gz DNUHWIBTZGXJBO-UHFFFAOYSA-N 0 0 259.294 1.237 50 0 CDAARN O=C(c1ccco1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 ZINC000036070917 284718499 /nfs/dbraw/zinc/71/84/99/284718499.db2.gz HEYPJAFZXHLEGL-AWEZNQCLSA-N 0 0 296.326 1.861 50 0 CDAARN COC[C@](C)(O)CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000070643915 379432657 /nfs/dbraw/zinc/43/26/57/379432657.db2.gz CUZAQNXUCCLARO-GFCCVEGCSA-N 0 0 291.269 1.833 50 0 CDAARN CN1CCc2nc(NC(=O)c3ccc[nH]3)sc2C1 ZINC000041570537 379397552 /nfs/dbraw/zinc/39/75/52/379397552.db2.gz SEGLZFGSAYLSGG-UHFFFAOYSA-N 0 0 262.338 1.711 50 0 CDAARN NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000010278226 379629123 /nfs/dbraw/zinc/62/91/23/379629123.db2.gz OHVYSGGXEBQLEL-LURJTMIESA-N 0 0 294.785 1.040 50 0 CDAARN COC(=O)CSCCCSCC(=O)OC ZINC000071783186 379638279 /nfs/dbraw/zinc/63/82/79/379638279.db2.gz LQLVJCYSFJVCLN-UHFFFAOYSA-N 0 0 252.357 1.189 50 0 CDAARN COc1cc(C(=O)NC[C@H]2CCCO2)cc(OC)c1OC ZINC000000036071 169512024 /nfs/dbraw/zinc/51/20/24/169512024.db2.gz 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356656559 /nfs/dbraw/zinc/65/65/59/356656559.db2.gz CZQNUPQUSRTZKX-JTQLQIEISA-N 0 0 273.336 1.528 50 0 CDAARN COc1ccc(C(=O)NCC(=O)OC[C@H]2CCCO2)cc1 ZINC000025397029 356674531 /nfs/dbraw/zinc/67/45/31/356674531.db2.gz LDCUCUGXFAXTLO-CYBMUJFWSA-N 0 0 293.319 1.147 50 0 CDAARN O=C(NCc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 ZINC000027323429 356705982 /nfs/dbraw/zinc/70/59/82/356705982.db2.gz TWIDICAOOHGOPV-LBPRGKRZSA-N 0 0 263.293 1.253 50 0 CDAARN C[C@@H]1CCCN(S(=O)(=O)NCc2cccs2)C1 ZINC000028083142 356717407 /nfs/dbraw/zinc/71/74/07/356717407.db2.gz HVRIMLLJBOGMSN-SNVBAGLBSA-N 0 0 274.411 1.814 50 0 CDAARN O=C(NCc1ccccn1)c1cc(-c2ccco2)n[nH]1 ZINC000028269671 356719027 /nfs/dbraw/zinc/71/90/27/356719027.db2.gz UXVNSTHUHNKIKS-UHFFFAOYSA-N 0 0 268.276 1.995 50 0 CDAARN O=C(NCc1cccs1)c1ccc2n[nH]nc2c1 ZINC000028813009 356726095 /nfs/dbraw/zinc/72/60/95/356726095.db2.gz HERQYYNGYOUSEC-UHFFFAOYSA-N 0 0 258.306 1.949 50 0 CDAARN COc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1 ZINC000028875642 356727023 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0 281.312 1.920 50 0 CDAARN CCc1nn(C)c(Cl)c1CN(C)[C@H](C)C(=O)N(C)C ZINC000067692088 175785008 /nfs/dbraw/zinc/78/50/08/175785008.db2.gz JVWUOHRBEIGEHO-SECBINFHSA-N 0 0 286.807 1.544 50 0 CDAARN CN(C)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000067802701 175793027 /nfs/dbraw/zinc/79/30/27/175793027.db2.gz XMLKBLCLBWOEDL-JTQLQIEISA-N 0 0 271.361 1.657 50 0 CDAARN CSc1cccc(CN(C)C(=O)c2nc[nH]n2)c1 ZINC000067893980 175799823 /nfs/dbraw/zinc/79/98/23/175799823.db2.gz ZZKHBGCXYMXUMJ-UHFFFAOYSA-N 0 0 262.338 1.799 50 0 CDAARN COc1cc(-c2nncn2-c2cc(C)nn2C)ccc1O ZINC000067955689 175804361 /nfs/dbraw/zinc/80/43/61/175804361.db2.gz ZPQZDRRUFPYZNK-UHFFFAOYSA-N 0 0 285.307 1.690 50 0 CDAARN COc1cc2c(cc1OC)n(C)c(=O)n(C(C)C)c2=O ZINC000070666238 176000335 /nfs/dbraw/zinc/00/03/35/176000335.db2.gz GJGBURVPVVAVKK-UHFFFAOYSA-N 0 0 278.308 1.298 50 0 biogenic CDAARN Cc1cc(C2CCC2)nc(NC[C@@H]2COCCO2)n1 ZINC000071748096 176258720 /nfs/dbraw/zinc/25/87/20/176258720.db2.gz WMMZXGKWLITHJZ-GFCCVEGCSA-N 0 0 263.341 1.880 50 0 CDAARN Cc1cccc2c1cnn2CCCNC(=O)c1ccnn1C ZINC000072239527 176347592 /nfs/dbraw/zinc/34/75/92/176347592.db2.gz RQYYMBFBJSFQPB-UHFFFAOYSA-N 0 0 297.362 1.898 50 0 CDAARN CC(=O)N1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072343897 176372415 /nfs/dbraw/zinc/37/24/15/176372415.db2.gz AQQGCECQGZTQDI-SNVBAGLBSA-N 0 0 253.733 1.931 50 0 CDAARN Cc1cnc(NC(=O)C2(n3cnnn3)CCCCC2)s1 ZINC000072402314 176396860 /nfs/dbraw/zinc/39/68/60/176396860.db2.gz DMKMEQOXZZGOAQ-UHFFFAOYSA-N 0 0 292.368 1.736 50 0 CDAARN CCOC(=O)N1CCC(NC(=O)c2oc(C)nc2C)CC1 ZINC000074675589 176597620 /nfs/dbraw/zinc/59/76/20/176597620.db2.gz BPPQUIRLZSTBIH-UHFFFAOYSA-N 0 0 295.339 1.642 50 0 CDAARN Cc1nnc(CCC(=O)N[C@H]2CC[C@@H]3CCC[C@@H]32)[nH]1 ZINC000077342329 177254583 /nfs/dbraw/zinc/25/45/83/177254583.db2.gz SLHBYGCOQWGIKD-SRVKXCTJSA-N 0 0 262.357 1.741 50 0 CDAARN Cc1nc([C@@H](C)N(C)C(=O)c2c[nH]c(=O)cn2)c(C)s1 ZINC000077471043 177272504 /nfs/dbraw/zinc/27/25/04/177272504.db2.gz DACOPKUTEPZOAI-SSDOTTSWSA-N 0 0 292.364 1.676 50 0 CDAARN C[C@@H]1Oc2ccc(NC(=O)c3nccnc3N)cc2NC1=O ZINC000013003358 260067322 /nfs/dbraw/zinc/06/73/22/260067322.db2.gz FTFKGDZFYAWARZ-ZETCQYMHSA-N 0 0 299.290 1.031 50 0 CDAARN O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000013002829 260067339 /nfs/dbraw/zinc/06/73/39/260067339.db2.gz RMCSBJFFSAXMBC-CQSZACIVSA-N 0 0 289.356 1.757 50 0 CDAARN C[C@@H]1CN(CCOc2ccccc2CO)C[C@@H](C)O1 ZINC000016488316 262046472 /nfs/dbraw/zinc/04/64/72/262046472.db2.gz BEKYMZJUIICCMS-CHWSQXEVSA-N 0 0 265.353 1.667 50 0 CDAARN COC[C@@H]1[C@H](NC(=O)c2ccn(C)c2C)[C@@H]2CCO[C@H]12 ZINC000218965035 262348360 /nfs/dbraw/zinc/34/83/60/262348360.db2.gz RPRRKODXZAONMN-DGAVXFQQSA-N 0 0 278.352 1.113 50 0 CDAARN Nc1nnc(SCCn2c3ccccc3oc2=O)s1 ZINC000032777017 262378008 /nfs/dbraw/zinc/37/80/08/262378008.db2.gz GBKTZZQCVCFNNJ-UHFFFAOYSA-N 0 0 294.361 1.821 50 0 CDAARN CN(CC(=O)N1CCSCC1)c1ccccc1 ZINC000048277749 424170982 /nfs/dbraw/zinc/17/09/82/424170982.db2.gz LCGOTKAVIYCCHS-UHFFFAOYSA-N 0 0 250.367 1.698 50 0 CDAARN CC(C)c1nnc2n1CCN(C(=O)C1=CCCC1)CC2 ZINC000014988954 276076070 /nfs/dbraw/zinc/07/60/70/276076070.db2.gz BDSJWTRXAZTCCE-UHFFFAOYSA-N 0 0 274.368 1.897 50 0 CDAARN CC1(C)[C@H](Nc2ncnc3n[nH]cc32)[C@@H]2CCO[C@@H]21 ZINC000095400766 276163997 /nfs/dbraw/zinc/16/39/97/276163997.db2.gz ZYOOOLJEMWGPRJ-SFGNSQDASA-N 0 0 259.313 1.578 50 0 CDAARN CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](CO)C1 ZINC000091303708 277196692 /nfs/dbraw/zinc/19/66/92/277196692.db2.gz IAKIPYUZTQEURV-JTQLQIEISA-N 0 0 267.329 1.242 50 0 CDAARN COc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000036533177 277425029 /nfs/dbraw/zinc/42/50/29/277425029.db2.gz PVXSJXZJPQACIW-UHFFFAOYSA-N 0 0 266.116 1.105 50 0 CDAARN CC(C)NC(=O)N[C@H]1C[C@@H](C)NC(=O)N1C(C)C ZINC000000518593 277658688 /nfs/dbraw/zinc/65/86/88/277658688.db2.gz INXKWNSOFHYLME-NXEZZACHSA-N 0 0 256.350 1.232 50 0 biogenic CDAARN C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@@H](C)O1 ZINC000032768006 287983885 /nfs/dbraw/zinc/98/38/85/287983885.db2.gz RGOAUWDDFOOAKU-GYSYKLTISA-N 0 0 261.321 1.626 50 0 CDAARN CC(=O)N[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032973926 278164506 /nfs/dbraw/zinc/16/45/06/278164506.db2.gz WMAOTXZDWQGOCM-KFEKONSASA-N 0 0 264.369 1.596 50 0 CDAARN CC(=O)OC(OC(C)=O)(c1ccccn1)c1ncccn1 ZINC000012364492 278217863 /nfs/dbraw/zinc/21/78/63/278217863.db2.gz DHMORELRGRETJO-UHFFFAOYSA-N 0 0 287.275 1.199 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(C[C@H](CO)CO2)CC1 ZINC000238790013 278384589 /nfs/dbraw/zinc/38/45/89/278384589.db2.gz JRUCSSGRMPNHQM-LLVKDONJSA-N 0 0 271.357 1.785 50 0 CDAARN CC1(C)C[C@H](NC(=O)[C@H]2CCc3nccn3C2)C(C)(C)O1 ZINC000364900402 278385633 /nfs/dbraw/zinc/38/56/33/278385633.db2.gz ZHMSQZZEYFXOTK-RYUDHWBXSA-N 0 0 291.395 1.908 50 0 CDAARN CC(C)(C)OC(=O)N1CC[C@]2(C(=O)[O-])C[NH2+]CC[C@H]12 ZINC000211174697 278412869 /nfs/dbraw/zinc/41/28/69/278412869.db2.gz NXSFCOFBYPGVMY-ZANVPECISA-N 0 0 270.329 1.060 50 0 CDAARN C[C@@H]1CN(C(=S)NC(=O)c2ccco2)C[C@@H](C)O1 ZINC000000308733 288065390 /nfs/dbraw/zinc/06/53/90/288065390.db2.gz LQEIOZKCJXGBKV-RKDXNWHRSA-N 0 0 268.338 1.404 50 0 CDAARN Cc1cc(F)cc(C(=O)Nc2cc(C)nc(=O)[nH]2)c1 ZINC000096007585 278696366 /nfs/dbraw/zinc/69/63/66/278696366.db2.gz BKMSROHOHGPPAG-UHFFFAOYSA-N 0 0 261.256 1.778 50 0 CDAARN CC(C)C[C@@H](C)NC(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000192199820 278963823 /nfs/dbraw/zinc/96/38/23/278963823.db2.gz RJBFLJIXDJIJCA-VXGBXAGGSA-N 0 0 290.429 1.497 50 0 CDAARN O=C(CN1CCCCCC1=O)NC[C@@H]1CCCC[C@@H]1O ZINC000077204914 279228980 /nfs/dbraw/zinc/22/89/80/279228980.db2.gz HTNCKPLPWKLIHB-STQMWFEESA-N 0 0 282.384 1.056 50 0 CDAARN Cc1noc(C)c1CN1CC(=O)N(C)c2ccccc2C1=O ZINC000095521616 279248940 /nfs/dbraw/zinc/24/89/40/279248940.db2.gz UCOVNVDKWHFFDZ-UHFFFAOYSA-N 0 0 299.330 1.910 50 0 CDAARN CC(C)N(C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(C)C ZINC000102225559 279275893 /nfs/dbraw/zinc/27/58/93/279275893.db2.gz MIHYHDXNIYUJJB-CHWSQXEVSA-N 0 0 292.379 1.583 50 0 CDAARN Oc1cccc(CN2CCN(Cc3c[nH]cn3)CC2)c1 ZINC000092789562 279290335 /nfs/dbraw/zinc/29/03/35/279290335.db2.gz HIMKAQCMLBPVNM-UHFFFAOYSA-N 0 0 272.352 1.433 50 0 CDAARN CCOC(=O)[C@@H]1C[C@H]2CC(=O)CC[C@@H]2CN1C(=O)OC ZINC000034403041 279598898 /nfs/dbraw/zinc/59/88/98/279598898.db2.gz HAEQCUWBOVQMOJ-FOGDFJRCSA-N 0 0 283.324 1.376 50 0 CDAARN CC(C)[C@@H](C)N(C(=O)N[C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000095409943 279809737 /nfs/dbraw/zinc/80/97/37/279809737.db2.gz OXLQUCNRIKBFEK-WDEREUQCSA-N 0 0 290.429 1.638 50 0 CDAARN O=C(Nc1ncccn1)[C@H]1COc2ccccc2O1 ZINC000006938758 280065484 /nfs/dbraw/zinc/06/54/84/280065484.db2.gz IYAMNPRCWPFGBK-LLVKDONJSA-N 0 0 257.249 1.255 50 0 CDAARN CC[C@@H](C)NC(=O)c1c(N)n(N)c2nc3ccccc3nc12 ZINC000005030725 280111200 /nfs/dbraw/zinc/11/12/00/280111200.db2.gz IZALVYJZDWVZMD-MRVPVSSYSA-N 0 0 298.350 1.409 50 0 CDAARN CC(C)c1cc(NC[C@@H](CO)Cc2ccco2)ncn1 ZINC000521919637 281078564 /nfs/dbraw/zinc/07/85/64/281078564.db2.gz UAVDAFGGTCRLMU-LBPRGKRZSA-N 0 0 275.352 1.878 50 0 CDAARN CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cccnc1 ZINC000074977374 281236287 /nfs/dbraw/zinc/23/62/87/281236287.db2.gz VVZYUBFIGALCSD-QWRGUYRKSA-N 0 0 254.355 1.891 50 0 CDAARN Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000012758149 281242468 /nfs/dbraw/zinc/24/24/68/281242468.db2.gz PGQYSHFHMLCFSJ-UHFFFAOYSA-N 0 0 295.298 1.868 50 0 CDAARN CCO[C@@]1(C)C[C@H]1NC(=O)Nc1nccc(N(C)C)n1 ZINC000529052335 281322194 /nfs/dbraw/zinc/32/21/94/281322194.db2.gz BGKQRMHFQNXSBA-RNCFNFMXSA-N 0 0 279.344 1.232 50 0 CDAARN Cc1cnc(NC(=O)CCc2c(C)nn(C)c2C)o1 ZINC000531304119 281738356 /nfs/dbraw/zinc/73/83/56/281738356.db2.gz MYTWDZCMXOHYQB-UHFFFAOYSA-N 0 0 262.313 1.905 50 0 CDAARN Cc1nc2c3cnn(-c4ccc(F)cc4)c3ncn2n1 ZINC000000542467 282047855 /nfs/dbraw/zinc/04/78/55/282047855.db2.gz KMHIXBCJBPBDNC-UHFFFAOYSA-N 0 0 268.255 1.911 50 0 CDAARN C[C@@]12CCCC(=O)N1[C@@H](CO)[C@@H](c1ccccc1)O2 ZINC000000395509 289221230 /nfs/dbraw/zinc/22/12/30/289221230.db2.gz HMPLCFQDHIGQMF-NWANDNLSSA-N 0 0 261.321 1.848 50 0 biogenic CDAARN Cn1nc(I)c2cccnc21 ZINC000095775075 294514054 /nfs/dbraw/zinc/51/40/54/294514054.db2.gz SRUIXHHHURATSY-UHFFFAOYSA-N 0 0 259.050 1.573 50 0 CDAARN CO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000004028190 294683179 /nfs/dbraw/zinc/68/31/79/294683179.db2.gz GPNUVPVTXHBPJI-KAMPLNKDSA-N 0 0 274.313 1.029 50 0 biogenic CDAARN Cc1cc(C)cc(N2C(=S)N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000009340744 301225872 /nfs/dbraw/zinc/22/58/72/301225872.db2.gz MQXOIPIKRNKRJK-VXGBXAGGSA-N 0 0 296.417 1.164 50 0 CDAARN Cc1cc(F)ccc1N1C(=O)C[C@H]2CS(=O)(=O)C[C@H]21 ZINC000032912523 301312046 /nfs/dbraw/zinc/31/20/46/301312046.db2.gz YCSCELHZIUDKHM-JOYOIKCWSA-N 0 0 283.324 1.284 50 0 CDAARN Cc1cc(NC(=O)[C@H]2OCCc3ccccc32)[nH]c(=O)n1 ZINC000096007615 301361225 /nfs/dbraw/zinc/36/12/25/301361225.db2.gz KPZITNHIEHTFID-ZDUSSCGKSA-N 0 0 285.303 1.331 50 0 CDAARN Cc1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000102747436 301622191 /nfs/dbraw/zinc/62/21/91/301622191.db2.gz OBLPJHHVXRIKAJ-WDEREUQCSA-N 0 0 282.390 1.649 50 0 CDAARN Cc1ccc(S(=O)(=O)c2c[nH]c(=S)nc2N)cc1 ZINC000005043053 301700525 /nfs/dbraw/zinc/70/05/25/301700525.db2.gz SNPXVSJVWXVSIB-UHFFFAOYSA-N 0 0 281.362 1.863 50 0 CDAARN CCS[C@@H]1CC[C@H](N(C)C(=O)CNC(C)=O)C1 ZINC000096443075 529220478 /nfs/dbraw/zinc/22/04/78/529220478.db2.gz IKLXTORSICTWDV-WDEREUQCSA-N 0 0 258.387 1.255 50 0 CDAARN CCOCCC(=O)N[C@@H](c1ncnn1C)C(C)C ZINC000534646486 328329765 /nfs/dbraw/zinc/32/97/65/328329765.db2.gz BIVZRHGRKSSELO-LLVKDONJSA-N 0 0 254.334 1.055 50 0 CDAARN Cc1cc(=O)cc(C(=O)N[C@@H](C)c2ncccc2C)[nH]1 ZINC000534638537 328334892 /nfs/dbraw/zinc/33/48/92/328334892.db2.gz XNELZVYTCZETPD-NSHDSACASA-N 0 0 271.320 1.878 50 0 CDAARN CCOCC(=O)NCC1(COc2ccccc2)CC1 ZINC000534641458 328336327 /nfs/dbraw/zinc/33/63/27/328336327.db2.gz BIPOFDWCAKNKTD-UHFFFAOYSA-N 0 0 263.337 1.998 50 0 CDAARN COC(=O)N[C@H](C)C(=O)NCCCOC1CCCCC1 ZINC000534655011 328339471 /nfs/dbraw/zinc/33/94/71/328339471.db2.gz GYBYMGKATKRUDV-LLVKDONJSA-N 0 0 286.372 1.587 50 0 CDAARN 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/nfs/dbraw/zinc/67/19/12/365671912.db2.gz DOWJNUFGVAYZRS-SNVBAGLBSA-N 0 0 284.360 1.432 50 0 CDAARN COC(=O)CC1(NC(=O)NC2CC2)CCCCC1 ZINC000096113697 185101115 /nfs/dbraw/zinc/10/11/15/185101115.db2.gz CIDKOPNCGDGQRH-UHFFFAOYSA-N 0 0 254.330 1.714 50 0 CDAARN COC(=O)C[C@H](c1cccnc1)c1oc(C)cc(=O)c1O ZINC000096114887 185101453 /nfs/dbraw/zinc/10/14/53/185101453.db2.gz ITIJPSACVMIIFM-LLVKDONJSA-N 0 0 289.287 1.744 50 0 biogenic CDAARN COc1ccccc1-c1cc(C(=O)Nc2ncc[nH]2)n[nH]1 ZINC000096118683 185102270 /nfs/dbraw/zinc/10/22/70/185102270.db2.gz NWLJSYCFNSGVJT-UHFFFAOYSA-N 0 0 283.291 1.483 50 0 CDAARN O=C(CCCn1cccn1)Nc1ccc2nc[nH]c(=O)c2c1 ZINC000096118438 185102351 /nfs/dbraw/zinc/10/23/51/185102351.db2.gz NDYNOPXJGHHUFB-UHFFFAOYSA-N 0 0 297.318 1.539 50 0 CDAARN Cn1cc(C(=O)N2CC[C@](C)(O)[C@@H](O)C2)c2ccccc21 ZINC000096130665 185103848 /nfs/dbraw/zinc/10/38/48/185103848.db2.gz FYHXPJMUYAAENZ-HOCLYGCPSA-N 0 0 288.347 1.136 50 0 CDAARN c1nc([C@H]2COCCO2)n(CC2CCCCC2)n1 ZINC000096138645 185106003 /nfs/dbraw/zinc/10/60/03/185106003.db2.gz QEHNIQVJWSNXDO-GFCCVEGCSA-N 0 0 251.330 1.946 50 0 CDAARN CCOCCn1nc(C)cc1-c1nc([C@H]2CCOC2)no1 ZINC000096141992 185106551 /nfs/dbraw/zinc/10/65/51/185106551.db2.gz PUBUILDKHGHRNW-NSHDSACASA-N 0 0 292.339 1.782 50 0 CDAARN C[C@@H](C(=O)Nc1ccccc1-n1ccnn1)[NH+](C)C ZINC000195552972 342626749 /nfs/dbraw/zinc/62/67/49/342626749.db2.gz KOPDFMBCTWIBMR-JTQLQIEISA-N 0 0 259.313 1.156 50 0 CDAARN CC(C)CCCCNS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000195574524 342628721 /nfs/dbraw/zinc/62/87/21/342628721.db2.gz VNMWWQRPTCPEAD-NWDGAFQWSA-N 0 0 263.403 1.910 50 0 CDAARN COC(=O)[C@@H]1CCN(C(=O)c2ccoc2C)C[C@H]1C ZINC000195579295 342628883 /nfs/dbraw/zinc/62/88/83/342628883.db2.gz FXZKDVQQXNFWHX-MWLCHTKSSA-N 0 0 265.309 1.859 50 0 CDAARN CCc1ncc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cn1 ZINC000269531105 190506501 /nfs/dbraw/zinc/50/65/01/190506501.db2.gz QUMVCUNVJOMUDH-CMPLNLGQSA-N 0 0 279.340 1.562 50 0 CDAARN CC(C)(C)n1nnc(C(=O)Nc2ccnc3ccccc32)n1 ZINC000622781526 342148736 /nfs/dbraw/zinc/14/87/36/342148736.db2.gz XPYROQDSYWXCBG-UHFFFAOYSA-N 0 0 296.334 1.651 50 0 CDAARN CCc1nnc(CN(C)CCc2scnc2C)[nH]1 ZINC000244594063 361853912 /nfs/dbraw/zinc/85/39/12/361853912.db2.gz DFSIMBJIPNUBCP-UHFFFAOYSA-N 0 0 265.386 1.807 50 0 CDAARN O[C@H]1C[C@@H](c2cc(NCCc3ncc[nH]3)ncn2)C1 ZINC000244673910 361855732 /nfs/dbraw/zinc/85/57/32/361855732.db2.gz HXXBUASUZXPXCL-AOOOYVTPSA-N 0 0 259.313 1.093 50 0 CDAARN CCc1nccn1CC(=O)N(C)C1CCSCC1 ZINC000244708211 361858384 /nfs/dbraw/zinc/85/83/84/361858384.db2.gz KPMQSGPLVLQJJT-UHFFFAOYSA-N 0 0 267.398 1.800 50 0 CDAARN C[C@H]1CN(Cc2nnc(-c3cccnc3)o2)CCCO1 ZINC000244678873 361856813 /nfs/dbraw/zinc/85/68/13/361856813.db2.gz ILQKFAFHBIERBL-NSHDSACASA-N 0 0 274.324 1.742 50 0 CDAARN COCCC(=O)N1CCCC[C@@H]1c1nncn1CC1CC1 ZINC000097941453 342158767 /nfs/dbraw/zinc/15/87/67/342158767.db2.gz KPMMMCOTUAJZRY-CYBMUJFWSA-N 0 0 292.383 1.778 50 0 CDAARN CC(C)c1cc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)no1 ZINC000252535816 361858143 /nfs/dbraw/zinc/85/81/43/361858143.db2.gz GYMNSFPBMAJEAN-SNVBAGLBSA-N 0 0 277.324 1.245 50 0 CDAARN CC[C@@H](C(=O)NCCCc1cnn(C)c1)n1cccn1 ZINC000244724254 361860683 /nfs/dbraw/zinc/86/06/83/361860683.db2.gz MQPGVGMKLWMEJA-ZDUSSCGKSA-N 0 0 275.356 1.317 50 0 CDAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc[nH]c1=O ZINC000244724639 361860728 /nfs/dbraw/zinc/86/07/28/361860728.db2.gz MXWXTNAZDWQZRP-UHIISALHSA-N 0 0 299.330 1.424 50 0 CDAARN CCCn1cnnc1CN(C)Cc1nnc(C)o1 ZINC000244858483 361866424 /nfs/dbraw/zinc/86/64/24/361866424.db2.gz VMBMGULCWPAZBW-UHFFFAOYSA-N 0 0 250.306 1.012 50 0 CDAARN COCCN1C[C@H](Cc2cccc(OC)c2)CC1=O ZINC000244873526 361867540 /nfs/dbraw/zinc/86/75/40/361867540.db2.gz WRSPEDFSVHUTCO-CYBMUJFWSA-N 0 0 263.337 1.733 50 0 CDAARN Cc1nnc(CN2Cc3ccccc3S2(=O)=O)s1 ZINC000629399263 361935323 /nfs/dbraw/zinc/93/53/23/361935323.db2.gz DZLBPRUFBOHCEN-UHFFFAOYSA-N 0 0 281.362 1.551 50 0 CDAARN CO[C@H]1CN(Cc2c3c(nn2C)CCCC3)CCO1 ZINC000685943553 539046044 /nfs/dbraw/zinc/04/60/44/539046044.db2.gz VZBBBMASCKPZMO-CQSZACIVSA-N 0 0 265.357 1.104 50 0 CDAARN COc1ccc(S(=O)(=O)NCCc2cn[nH]c2)c(C)c1 ZINC000585139904 342218498 /nfs/dbraw/zinc/21/84/98/342218498.db2.gz NMGATQMRAMWPDZ-UHFFFAOYSA-N 0 0 295.364 1.248 50 0 CDAARN C[C@@H](NC[C@@H]1CCN(c2ccccc2)C1)c1ncn(C)n1 ZINC000585141245 342219028 /nfs/dbraw/zinc/21/90/28/342219028.db2.gz SBVUYPHQWBJWGI-KGLIPLIRSA-N 0 0 285.395 1.992 50 0 CDAARN CNC(=O)C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000670441472 539114251 /nfs/dbraw/zinc/11/42/51/539114251.db2.gz IFGOVVNYDZUTHY-LBPRGKRZSA-N 0 0 286.375 1.774 50 0 CDAARN CC1=NO[C@](C)(C(=O)N2CC(Oc3ccccc3)C2)C1 ZINC000670446887 539114317 /nfs/dbraw/zinc/11/43/17/539114317.db2.gz ZGPHQBMIJVVJKK-HNNXBMFYSA-N 0 0 274.320 1.831 50 0 CDAARN C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2CCCC2)CC1 ZINC000032769428 539135263 /nfs/dbraw/zinc/13/52/63/539135263.db2.gz GYXKQHBRXTUDKC-AAEUAGOBSA-N 0 0 264.369 1.503 50 0 CDAARN O=C(Cc1ccccc1F)NC1CCC(O)CC1 ZINC000033028126 539135604 /nfs/dbraw/zinc/13/56/04/539135604.db2.gz QSTVSVHVPDJQKL-UHFFFAOYSA-N 0 0 251.301 1.788 50 0 CDAARN [N-]=[N+]=N[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)N2C1 ZINC000072233503 342273338 /nfs/dbraw/zinc/27/33/38/342273338.db2.gz WLQOXRCTEMOUSS-SCZZXKLOSA-N 0 0 257.253 1.906 50 0 CDAARN O=C(Cn1ncc2ccccc21)NCc1noc(C2CC2)n1 ZINC000534280561 282175163 /nfs/dbraw/zinc/17/51/63/282175163.db2.gz GTSDQYITAPWHQI-UHFFFAOYSA-N 0 0 297.318 1.613 50 0 CDAARN CNC(=O)c1cc2n(n1)C[C@H](c1ccccc1)OC2 ZINC000263617032 346911617 /nfs/dbraw/zinc/91/16/17/346911617.db2.gz LTFGQAAKUODSDA-CYBMUJFWSA-N 0 0 257.293 1.514 50 0 CDAARN CC[C@H](NC(=O)c1ccc(N)nc1)c1ncnn1CC ZINC000219816603 529567300 /nfs/dbraw/zinc/56/73/00/529567300.db2.gz BMEVRXRWVLAXES-JTQLQIEISA-N 0 0 274.328 1.156 50 0 CDAARN CN(Cc1ccns1)Cc1nnnn1C(C)(C)C ZINC000585116027 362044163 /nfs/dbraw/zinc/04/41/63/362044163.db2.gz DRUCVDTVGTTZGD-UHFFFAOYSA-N 0 0 266.374 1.517 50 0 CDAARN Fc1cccc(CN2CCO[C@@H](Cn3ccnn3)C2)c1 ZINC000585116371 362045577 /nfs/dbraw/zinc/04/55/77/362045577.db2.gz SCYJIFCIJKCACV-CQSZACIVSA-N 0 0 276.315 1.318 50 0 CDAARN O=C(C1CC1)N1CCN(C(=O)C2CCCC2)CC1 ZINC000036391922 362048629 /nfs/dbraw/zinc/04/86/29/362048629.db2.gz ZEENEJBICQOKRB-UHFFFAOYSA-N 0 0 250.342 1.257 50 0 CDAARN NC(=O)c1ccc(NCC(=O)NC2CC2)cc1Cl ZINC000036395012 362059538 /nfs/dbraw/zinc/05/95/38/362059538.db2.gz WWJMRHRMEMHDGL-UHFFFAOYSA-N 0 0 267.716 1.129 50 0 CDAARN CC(C)[C@H](Cn1nccn1)NC(=O)/C=C/c1ccco1 ZINC000253475276 342425532 /nfs/dbraw/zinc/42/55/32/342425532.db2.gz QTWNDZIEBACGMJ-GFUIURDCSA-N 0 0 274.324 1.725 50 0 CDAARN O=C(Nc1nc[nH]n1)C1(c2ccccc2)CCOCC1 ZINC000082264260 362220835 /nfs/dbraw/zinc/22/08/35/362220835.db2.gz SZUYXAXJTLZPEV-UHFFFAOYSA-N 0 0 272.308 1.492 50 0 CDAARN CN(C)C(=O)CCNC(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000083844038 362255040 /nfs/dbraw/zinc/25/50/40/362255040.db2.gz DMTHTTUEZDTKPF-CHWSQXEVSA-N 0 0 275.352 1.320 50 0 CDAARN O=C(CSc1n[nH]c(-c2cccnc2)n1)N1CCC1 ZINC000084425205 362263279 /nfs/dbraw/zinc/26/32/79/362263279.db2.gz LQTUYMBCWCIYSI-UHFFFAOYSA-N 0 0 275.337 1.191 50 0 CDAARN CC[C@H](CCO)CNS(=O)(=O)CCC(C)(C)C ZINC000084733290 362270184 /nfs/dbraw/zinc/27/01/84/362270184.db2.gz DDVDXXCKBAWWDY-LLVKDONJSA-N 0 0 265.419 1.751 50 0 CDAARN O=C1N(CC2CCCCC2)CCC[C@]1(O)CN1CCCO1 ZINC000015075879 362282151 /nfs/dbraw/zinc/28/21/51/362282151.db2.gz ZLPMSWHXGNMJBS-INIZCTEOSA-N 0 0 296.411 1.558 50 0 CDAARN Cc1cc(S(=O)(=O)N2CCN[C@H](C)C2)ccc1F ZINC000187154006 362336644 /nfs/dbraw/zinc/33/66/44/362336644.db2.gz QYFVFOUZKRQRFB-SNVBAGLBSA-N 0 0 272.345 1.117 50 0 CDAARN CC(C)Oc1ccc(OCCN2CC(O)C2)cc1 ZINC000252481171 362384977 /nfs/dbraw/zinc/38/49/77/362384977.db2.gz CIDVCBRDBLQRNB-UHFFFAOYSA-N 0 0 251.326 1.529 50 0 CDAARN OC[C@@H]1COCCN1Cc1cncn1Cc1ccccc1 ZINC000252488992 362386312 /nfs/dbraw/zinc/38/63/12/362386312.db2.gz JDIYSPHPMCCQPU-MRXNPFEDSA-N 0 0 287.363 1.125 50 0 CDAARN O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cn[nH]c1 ZINC000252537681 362391729 /nfs/dbraw/zinc/39/17/29/362391729.db2.gz MAJSPSKVDPKQLB-SUZMYJTESA-N 0 0 272.308 1.047 50 0 CDAARN CC[C@H](NC(=O)CCC(F)(F)F)[C@H]1C[C@H](O)C1 ZINC000252536005 362392264 /nfs/dbraw/zinc/39/22/64/362392264.db2.gz HKZCTVSLDZXSHO-CIUDSAMLSA-N 0 0 253.264 1.995 50 0 CDAARN O=C(c1cc(C(F)F)n[nH]1)N1CCC(C2(O)CC2)CC1 ZINC000640537978 362409196 /nfs/dbraw/zinc/40/91/96/362409196.db2.gz YEKNWJJIGMJDOC-UHFFFAOYSA-N 0 0 285.294 1.724 50 0 CDAARN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCc2occc21 ZINC000083967006 178767278 /nfs/dbraw/zinc/76/72/78/178767278.db2.gz RSOKJHSJSVPAEV-KWQFWETISA-N 0 0 250.298 1.298 50 0 CDAARN CCOCC(=O)N1CCC[C@@H](c2ccn(C)n2)C1 ZINC000390830157 344891071 /nfs/dbraw/zinc/89/10/71/344891071.db2.gz JDYVMOUWBZYRFF-LLVKDONJSA-N 0 0 251.330 1.163 50 0 CDAARN Nc1nc(N)nc(CSc2nc3ccccc3[nH]2)n1 ZINC000007676169 345028861 /nfs/dbraw/zinc/02/88/61/345028861.db2.gz CJMMGMNZNRGRTJ-UHFFFAOYSA-N 0 0 273.325 1.205 50 0 CDAARN COCCc1nsc(NCc2ccncc2)n1 ZINC000097102952 185532382 /nfs/dbraw/zinc/53/23/82/185532382.db2.gz FKVZQUTUTWDZMP-UHFFFAOYSA-N 0 0 250.327 1.734 50 0 CDAARN CC(C)c1scnc1C(=O)NCc1nc(C(N)=O)co1 ZINC000617486775 345613655 /nfs/dbraw/zinc/61/36/55/345613655.db2.gz BUGCWCXZSZGQID-UHFFFAOYSA-N 0 0 294.336 1.283 50 0 CDAARN O=C([C@H]1CC(=O)N(C2CC2)C1)N1CC[C@@H]1c1ccccc1 ZINC000053084192 345624075 /nfs/dbraw/zinc/62/40/75/345624075.db2.gz MNDFNHYBUDBJKQ-DZGCQCFKSA-N 0 0 284.359 1.971 50 0 CDAARN Cn1cc([C@H]2CSCCN2C(=O)c2ccncc2)cn1 ZINC000192001437 362609775 /nfs/dbraw/zinc/60/97/75/362609775.db2.gz QQODLRBHYUPWQQ-CYBMUJFWSA-N 0 0 288.376 1.745 50 0 CDAARN CC[C@@H](C(=O)OC(C)(C)C)N1CCCN(C(N)=O)CC1 ZINC000191983550 362610030 /nfs/dbraw/zinc/61/00/30/362610030.db2.gz WBTSPQCORQKOCG-NSHDSACASA-N 0 0 285.388 1.193 50 0 CDAARN COc1ccc(NC(N)=O)c(I)c1 ZINC000192432959 362624665 /nfs/dbraw/zinc/62/46/65/362624665.db2.gz NJVSXCHFGFKXIL-UHFFFAOYSA-N 0 0 292.076 1.790 50 0 CDAARN c1c(-c2nc(-c3cnccn3)no2)nnn1-c1ccccc1 ZINC000084508299 178896456 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/nfs/dbraw/zinc/03/59/12/286035912.db2.gz MCRDJOGOHNDGAT-OAHLLOKOSA-N 0 0 290.363 1.421 50 0 CDAARN Cc1csc2c1ncnc2N[C@H]1CC(=O)N(C)C1=O ZINC000191138765 148482711 /nfs/dbraw/zinc/48/27/11/148482711.db2.gz QUYROMJIDIVFJY-ZETCQYMHSA-N 0 0 276.321 1.169 50 0 CDAARN COc1c2c(cc3c1[C@H](n1cccn1)N(C)CC3)OCO2 ZINC000020757708 286188430 /nfs/dbraw/zinc/18/84/30/286188430.db2.gz DPEJRBRBESATNU-HNNXBMFYSA-N 0 0 287.319 1.655 50 0 biogenic CDAARN COc1cc2c(cc1OC)[C@](O)(c1ccc(C)cc1)NC2=O ZINC000030822818 286261216 /nfs/dbraw/zinc/26/12/16/286261216.db2.gz QVJPRHVAJFRADG-QGZVFWFLSA-N 0 0 299.326 1.949 50 0 CDAARN COc1ccc([C@@H]2Cc3nc(N)ncc3C(=O)C2)c(OC)c1 ZINC000000546123 286364488 /nfs/dbraw/zinc/36/44/88/286364488.db2.gz BDIRAJHDCVWGIX-SECBINFHSA-N 0 0 299.330 1.989 50 0 CDAARN COCCC1(C(=O)N2CC[C@]3(CCOC3)C2)CCC1 ZINC000089410051 292291569 /nfs/dbraw/zinc/29/15/69/292291569.db2.gz SJEMUJUXTZMXMU-AWEZNQCLSA-N 0 0 267.369 1.832 50 0 CDAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000002964208 299768849 /nfs/dbraw/zinc/76/88/49/299768849.db2.gz BAWIGQLCZFAUNM-JTQLQIEISA-N 0 0 282.365 1.349 50 0 CDAARN O=C(c1ccc2c(c1)CCC2)N1CCN2C(=O)OC[C@H]2C1 ZINC000362217485 159099511 /nfs/dbraw/zinc/09/95/11/159099511.db2.gz HLEZFNAMYQXHHS-CQSZACIVSA-N 0 0 286.331 1.452 50 0 CDAARN C[C@@H](c1cn2ncsc2n1)n1cc2[nH]cccc-2c1=O ZINC000065372867 287158424 /nfs/dbraw/zinc/15/84/24/287158424.db2.gz PZPNPIRZHOXVAG-QMMMGPOBSA-N 0 0 285.332 1.903 50 0 CDAARN CCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000002022898 169768601 /nfs/dbraw/zinc/76/86/01/169768601.db2.gz IFESUGFLSYKWDM-UHFFFAOYSA-N 0 0 293.371 1.435 50 0 CDAARN CCOC(=O)CN1NC2(CCCCCCC2)NC1=S ZINC000002768989 169827765 /nfs/dbraw/zinc/82/77/65/169827765.db2.gz BLYPALQJNUSXFL-UHFFFAOYSA-N 0 0 285.413 1.685 50 0 CDAARN O=C(NCCOc1ccccc1)C(=O)Nc1ccccc1 ZINC000002810411 169833818 /nfs/dbraw/zinc/83/38/18/169833818.db2.gz BHMVRTPXEDJAFT-UHFFFAOYSA-N 0 0 284.315 1.820 50 0 CDAARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000002877581 169840323 /nfs/dbraw/zinc/84/03/23/169840323.db2.gz ILNWXMZIYSAMFC-UHFFFAOYSA-N 0 0 296.282 1.831 50 0 CDAARN Cc1cccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2)c1 ZINC000002966777 169846234 /nfs/dbraw/zinc/84/62/34/169846234.db2.gz CXQKOMHXHBTNBM-HNNXBMFYSA-N 0 0 298.342 1.783 50 0 CDAARN O=C(NCc1cccnc1)C(=O)Nc1ccccc1 ZINC000003061958 169851660 /nfs/dbraw/zinc/85/16/60/169851660.db2.gz CENKMZMCVKEIPI-UHFFFAOYSA-N 0 0 255.277 1.337 50 0 CDAARN Cc1ccc(NC(=O)[C@H](C)NC(N)=O)cc1Cl ZINC000003249055 169871676 /nfs/dbraw/zinc/87/16/76/169871676.db2.gz BXQOKXNFFQMSQU-ZETCQYMHSA-N 0 0 255.705 1.644 50 0 CDAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)C1=COCCO1 ZINC000003575940 169898841 /nfs/dbraw/zinc/89/88/41/169898841.db2.gz QAWNGMRTIHOQQI-MNOVXSKESA-N 0 0 283.324 1.113 50 0 CDAARN COCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000004003833 169928690 /nfs/dbraw/zinc/92/86/90/169928690.db2.gz XZAOMSOMLHFVOH-UHFFFAOYSA-N 0 0 282.303 1.981 50 0 CDAARN CCCCNC(=O)C1CCN(S(=O)(=O)CCC)CC1 ZINC000004149121 169938481 /nfs/dbraw/zinc/93/84/81/169938481.db2.gz YIDRGEOHWLNHCW-UHFFFAOYSA-N 0 0 290.429 1.355 50 0 CDAARN COC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000004731687 170007832 /nfs/dbraw/zinc/00/78/32/170007832.db2.gz YDZQUARJCRXYMV-RYUDHWBXSA-N 0 0 276.336 1.191 50 0 CDAARN O=C(CCc1ccccc1)NCCCN1CCCC1=O ZINC000004749870 170011442 /nfs/dbraw/zinc/01/14/42/170011442.db2.gz NCVPVXPWWUONCL-UHFFFAOYSA-N 0 0 274.364 1.748 50 0 CDAARN c1cnc(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1 ZINC000004753325 170012141 /nfs/dbraw/zinc/01/21/41/170012141.db2.gz SJBXBIHOHUNLBA-UHFFFAOYSA-N 0 0 268.232 1.922 50 0 CDAARN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1 ZINC000004819785 170022506 /nfs/dbraw/zinc/02/25/06/170022506.db2.gz IBAWGMXJOKWKQF-UHFFFAOYSA-N 0 0 262.353 1.863 50 0 CDAARN CCOCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000004815735 170022848 /nfs/dbraw/zinc/02/28/48/170022848.db2.gz RADCVBMBSSMYBS-UHFFFAOYSA-N 0 0 251.282 1.458 50 0 CDAARN O=C(Nc1ccccc1)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000004821263 170023440 /nfs/dbraw/zinc/02/34/40/170023440.db2.gz XVZVHBKIVGUKRA-GCJRFFTHSA-N 0 0 257.289 1.823 50 0 CDAARN CC[C@H](C)NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000004823122 170023771 /nfs/dbraw/zinc/02/37/71/170023771.db2.gz ZSZHYVBGSFHBET-VIFPVBQESA-N 0 0 275.308 1.634 50 0 CDAARN CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 ZINC000004867823 170033132 /nfs/dbraw/zinc/03/31/32/170033132.db2.gz CQZKZAGJNARVJN-UHFFFAOYSA-N 0 0 282.365 1.139 50 0 CDAARN COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccco1 ZINC000004934002 170042119 /nfs/dbraw/zinc/04/21/19/170042119.db2.gz CHKOFEIEKKWCRJ-NSHDSACASA-N 0 0 280.280 1.097 50 0 CDAARN CC1CCN(S(=O)(=O)Nc2cccnc2)CC1 ZINC000004973662 170047248 /nfs/dbraw/zinc/04/72/48/170047248.db2.gz GRJZPOVLMGWVJG-UHFFFAOYSA-N 0 0 255.343 1.470 50 0 CDAARN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2nccs2)C1 ZINC000004983918 170049075 /nfs/dbraw/zinc/04/90/75/170049075.db2.gz WDASWWGRLSJXDV-SNVBAGLBSA-N 0 0 297.380 1.357 50 0 CDAARN CC(C)NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000005029935 170058385 /nfs/dbraw/zinc/05/83/85/170058385.db2.gz NKYCZWFTQODBBM-LBPRGKRZSA-N 0 0 250.273 1.843 50 0 CDAARN C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(N)=O ZINC000005111608 170067240 /nfs/dbraw/zinc/06/72/40/170067240.db2.gz MEEORHFIGJUYFR-LURJTMIESA-N 0 0 261.199 1.736 50 0 CDAARN Cc1noc(C)c1C(=O)O[C@H](C)C(=O)NC1CCCC1 ZINC000005197213 170075504 /nfs/dbraw/zinc/07/55/04/170075504.db2.gz NSBVGNHCGWFGFO-SNVBAGLBSA-N 0 0 280.324 1.896 50 0 CDAARN COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2N)c1 ZINC000005199591 170075547 /nfs/dbraw/zinc/07/55/47/170075547.db2.gz KWBPKSBSUSFCLQ-UHFFFAOYSA-N 0 0 297.314 1.795 50 0 CDAARN C[C@@H]1C[C@H]1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000005259607 170080874 /nfs/dbraw/zinc/08/08/74/170080874.db2.gz UKVJPYMBTKYYLL-MWLCHTKSSA-N 0 0 299.334 1.897 50 0 CDAARN O=C(NCCCSc1ccccc1)c1ccc(=O)[nH]n1 ZINC000005269867 170081629 /nfs/dbraw/zinc/08/16/29/170081629.db2.gz NYFZHRFYAZBRKR-UHFFFAOYSA-N 0 0 289.360 1.682 50 0 CDAARN Cc1c2ccccc2oc1C(=O)OCC(=O)N(C)C ZINC000005310539 170084766 /nfs/dbraw/zinc/08/47/66/170084766.db2.gz NVYDSKGIQSBLSI-UHFFFAOYSA-N 0 0 261.277 1.986 50 0 CDAARN O=C(Cc1c[nH]c2ccccc12)O[C@@H]1CCOC1=O ZINC000005400911 170094834 /nfs/dbraw/zinc/09/48/34/170094834.db2.gz YEBZAQBDSMFJAU-GFCCVEGCSA-N 0 0 259.261 1.569 50 0 CDAARN CCN(CC)C(=O)Cn1c(C)nc2ccccc2c1=O ZINC000005452824 170100056 /nfs/dbraw/zinc/10/00/56/170100056.db2.gz YPJDZWWQUJBYPD-UHFFFAOYSA-N 0 0 273.336 1.573 50 0 CDAARN O=Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000005653236 170124618 /nfs/dbraw/zinc/12/46/18/170124618.db2.gz HABFXQKGBYGWBX-GFCCVEGCSA-N 0 0 263.293 1.173 50 0 CDAARN CC(C)C(=O)OCc1cc(=O)n2ccsc2n1 ZINC000005712640 170132262 /nfs/dbraw/zinc/13/22/62/170132262.db2.gz YVLMIMIKSNRCKT-UHFFFAOYSA-N 0 0 252.295 1.455 50 0 CDAARN C[C@@H](OC(=O)C1CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000006058151 170172674 /nfs/dbraw/zinc/17/26/74/170172674.db2.gz JTKRTFATKKWRSK-MRVPVSSYSA-N 0 0 277.276 1.696 50 0 CDAARN COCCCNC(=O)CCc1ccc(OC)cc1 ZINC000006126466 170178494 /nfs/dbraw/zinc/17/84/94/170178494.db2.gz ZIBGGLYDHKOFHU-UHFFFAOYSA-N 0 0 251.326 1.781 50 0 CDAARN COc1ccc(NC(=O)CNC(=O)c2ccco2)cn1 ZINC000006252526 170185835 /nfs/dbraw/zinc/18/58/35/170185835.db2.gz TYHJGEUXLJXAAD-UHFFFAOYSA-N 0 0 275.264 1.052 50 0 CDAARN CCCN(CC1CC1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000006290128 170188804 /nfs/dbraw/zinc/18/88/04/170188804.db2.gz WFDUWPCUJUVAJO-UHFFFAOYSA-N 0 0 290.363 1.813 50 0 CDAARN O=C(COc1ccccc1Cl)N1CCCC1=O ZINC000006567965 170214236 /nfs/dbraw/zinc/21/42/36/170214236.db2.gz VBRJPVFGMUDMKI-UHFFFAOYSA-N 0 0 253.685 1.868 50 0 CDAARN COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000006641884 170221314 /nfs/dbraw/zinc/22/13/14/170221314.db2.gz AMDVPKFBPRAPKB-GXFFZTMASA-N 0 0 277.320 1.511 50 0 CDAARN C[C@H](Sc1nnnn1C)C(=O)c1ccc(F)cc1 ZINC000006643567 170221369 /nfs/dbraw/zinc/22/13/69/170221369.db2.gz ZGIYFQFCQGJYRV-ZETCQYMHSA-N 0 0 266.301 1.713 50 0 CDAARN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000006641178 170221441 /nfs/dbraw/zinc/22/14/41/170221441.db2.gz ZNGRMFNIMLZNNB-HOTUBEGUSA-N 0 0 290.319 1.312 50 0 CDAARN O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCC1 ZINC000006949708 170258495 /nfs/dbraw/zinc/25/84/95/170258495.db2.gz QAEMGAQQRRETPX-UHFFFAOYSA-N 0 0 277.349 1.657 50 0 CDAARN O=C(CNC(=O)c1cccc(F)c1)N1CCCC1 ZINC000007038830 170263277 /nfs/dbraw/zinc/26/32/77/170263277.db2.gz QCVBASDGAGKXHU-UHFFFAOYSA-N 0 0 250.273 1.178 50 0 CDAARN C[C@H](CC(=O)OCc1nc(N)nc(N)n1)c1ccccc1 ZINC000007089451 170267048 /nfs/dbraw/zinc/26/70/48/170267048.db2.gz QKVLTSSTCUQIQE-SECBINFHSA-N 0 0 287.323 1.273 50 0 CDAARN OC1CCN(Cn2ncn(-c3ccccc3)c2=S)CC1 ZINC000007142060 170268467 /nfs/dbraw/zinc/26/84/67/170268467.db2.gz ZNZNIIRYQNAHKI-UHFFFAOYSA-N 0 0 290.392 1.817 50 0 CDAARN COC(=O)[C@@H](C)OC(=O)c1ccc2nc(N)sc2c1 ZINC000007370269 170279874 /nfs/dbraw/zinc/27/98/74/170279874.db2.gz BGEVEPODADPUCM-ZCFIWIBFSA-N 0 0 280.305 1.597 50 0 CDAARN COC[C@@H](C)NS(=O)(=O)/C=C/c1ccccc1 ZINC000007376919 170280280 /nfs/dbraw/zinc/28/02/80/170280280.db2.gz CFUFUDDTMBYKJQ-ANYFNZRUSA-N 0 0 255.339 1.612 50 0 CDAARN Cc1ccc(C)c(NC(=O)CN2CSCC2=O)c1 ZINC000007608151 170293166 /nfs/dbraw/zinc/29/31/66/170293166.db2.gz OPVHJTPUYWGRLP-UHFFFAOYSA-N 0 0 264.350 1.775 50 0 CDAARN CN(C(=O)COC(=O)c1cc[n+]([O-])cc1)c1ccccc1 ZINC000007681889 170297029 /nfs/dbraw/zinc/29/70/29/170297029.db2.gz LDSXJXMRYFFHPT-UHFFFAOYSA-N 0 0 286.287 1.140 50 0 CDAARN CC(=O)NCCSc1nnnn1-c1c(C)cccc1C ZINC000007798764 170303613 /nfs/dbraw/zinc/30/36/13/170303613.db2.gz RPJMLQBRCPOVQZ-UHFFFAOYSA-N 0 0 291.380 1.507 50 0 CDAARN COCCNC(=O)[C@@H](C)Oc1ccccc1OC ZINC000008049465 170316364 /nfs/dbraw/zinc/31/63/64/170316364.db2.gz VSHXBKIZMBDOBJ-SNVBAGLBSA-N 0 0 253.298 1.225 50 0 CDAARN C[C@H]1C[C@H](C)CN(C(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000008128942 170320127 /nfs/dbraw/zinc/32/01/27/170320127.db2.gz RPCIFAURHYPQCV-STQMWFEESA-N 0 0 299.378 1.845 50 0 CDAARN COc1ccc(CCNC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000008185659 170323492 /nfs/dbraw/zinc/32/34/92/170323492.db2.gz ONXMARPOQPUQLC-SMDDNHRTSA-N 0 0 291.347 1.553 50 0 CDAARN Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 ZINC000008288459 170329341 /nfs/dbraw/zinc/32/93/41/170329341.db2.gz GVSKZCOJGOWVTD-UHFFFAOYSA-N 0 0 290.344 1.895 50 0 CDAARN COC(=O)c1occc1CSc1n[nH]c(=O)n1C1CC1 ZINC000008327559 170331310 /nfs/dbraw/zinc/33/13/10/170331310.db2.gz BGHHIXHZLZDQAT-UHFFFAOYSA-N 0 0 295.320 1.578 50 0 CDAARN O=C(NC[C@@H]1COc2ccccc2O1)c1cccnc1 ZINC000008327113 170331416 /nfs/dbraw/zinc/33/14/16/170331416.db2.gz MMZUHYXUYVMQMI-GFCCVEGCSA-N 0 0 270.288 1.651 50 0 CDAARN CCOc1ccccc1-c1nn2c(nnc(C)c2=O)s1 ZINC000008394021 170334897 /nfs/dbraw/zinc/33/48/97/170334897.db2.gz LEUCVANEQRPTEL-UHFFFAOYSA-N 0 0 288.332 1.920 50 0 CDAARN CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)OCC)n1 ZINC000008671817 170344901 /nfs/dbraw/zinc/34/49/01/170344901.db2.gz GKEXMQMRLYBRKG-UHFFFAOYSA-N 0 0 299.352 1.087 50 0 CDAARN CCCCC[C@H](C)NC(=O)CSc1nc(N)n[nH]1 ZINC000008704793 170347844 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175785707 /nfs/dbraw/zinc/78/57/07/175785707.db2.gz AHGLQLQXNHFCED-KWQFWETISA-N 0 0 292.726 1.586 50 0 CDAARN CCOc1ccccc1-n1c(Cc2cccnc2)n[nH]c1=O ZINC000067820784 175794911 /nfs/dbraw/zinc/79/49/11/175794911.db2.gz IZXZGNZHGAYXBJ-UHFFFAOYSA-N 0 0 296.330 1.945 50 0 CDAARN Cc1nnc([C@H](C)NC(=O)Cc2n[nH]c3ccccc23)[nH]1 ZINC000067896180 175800393 /nfs/dbraw/zinc/80/03/93/175800393.db2.gz YSRVHDWDXFOPBA-QMMMGPOBSA-N 0 0 284.323 1.409 50 0 CDAARN Cc1cc(-n2cnnc2-c2ccc(O)cc2)n(C)n1 ZINC000067920454 175802318 /nfs/dbraw/zinc/80/23/18/175802318.db2.gz POZGXLLDRRMNLM-UHFFFAOYSA-N 0 0 255.281 1.682 50 0 CDAARN O=C(Nc1nccs1)c1ccc2c(c1)nc[nH]c2=O ZINC000071280347 176108631 /nfs/dbraw/zinc/10/86/31/176108631.db2.gz PXUXTFYPTWQXHE-UHFFFAOYSA-N 0 0 272.289 1.632 50 0 CDAARN CNS(=O)(=O)CCNc1nccc(C2CCCC2)n1 ZINC000071764296 176262042 /nfs/dbraw/zinc/26/20/42/176262042.db2.gz GKKPOJSEMVLLLT-UHFFFAOYSA-N 0 0 284.385 1.095 50 0 CDAARN O=[S@@](c1cnc(Br)cn1)C(F)(F)F ZINC000071792921 176263269 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/nfs/dbraw/zinc/35/79/67/176357967.db2.gz AHFBVGANHMCTMZ-WDEREUQCSA-N 0 0 251.330 1.048 50 0 CDAARN CS(=O)(=O)N1CCC[C@H](Cc2ccnc(Cl)c2)C1 ZINC000072343937 176372652 /nfs/dbraw/zinc/37/26/52/176372652.db2.gz CGMYRWOJHUWOTQ-LLVKDONJSA-N 0 0 288.800 1.949 50 0 CDAARN C[C@H]1C[C@H](c2ccc(F)cc2)CN1S(C)(=O)=O ZINC000076856425 177122548 /nfs/dbraw/zinc/12/25/48/177122548.db2.gz JBYMOLSSWIJGSE-ONGXEEELSA-N 0 0 257.330 1.963 50 0 CDAARN CCc1ccc(C(=O)NC2CCS(=O)(=O)CC2)s1 ZINC000077171352 177229929 /nfs/dbraw/zinc/22/99/29/177229929.db2.gz NCRKNCYRBCMMIH-UHFFFAOYSA-N 0 0 287.406 1.618 50 0 CDAARN CSCc1ccc(C(=O)N2CCOC[C@@H](CO)C2)o1 ZINC000077297880 177249922 /nfs/dbraw/zinc/24/99/22/177249922.db2.gz XLDCCACHANXGMU-SNVBAGLBSA-N 0 0 285.365 1.224 50 0 CDAARN CCCc1cc(C(=O)N(C)CC2(CO)CCOCC2)no1 ZINC000077485092 177273937 /nfs/dbraw/zinc/27/39/37/177273937.db2.gz TUXXBGVMNTVQJO-UHFFFAOYSA-N 0 0 296.367 1.488 50 0 CDAARN CCN(C(=O)Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 ZINC000077504946 177276441 /nfs/dbraw/zinc/27/64/41/177276441.db2.gz QNGYFNYJIMPQCU-NSHDSACASA-N 0 0 287.406 1.326 50 0 CDAARN CCCc1cc(C(=O)N[C@@H](CC)c2nc(C)no2)n(C)n1 ZINC000077555026 177280478 /nfs/dbraw/zinc/28/04/78/177280478.db2.gz AWEBXEUESQEDET-NSHDSACASA-N 0 0 291.355 1.945 50 0 CDAARN NC(=O)c1ccc(NC(=O)COC(=O)C2CCC2)cc1 ZINC000005507522 260018473 /nfs/dbraw/zinc/01/84/73/260018473.db2.gz FZTSRFLHOXECKS-UHFFFAOYSA-N 0 0 276.292 1.067 50 0 CDAARN Cc1cc(=O)oc2cc(OCCN3CCOCC3)ccc12 ZINC000019991322 260115237 /nfs/dbraw/zinc/11/52/37/260115237.db2.gz RIGUBTNNRHHQTI-UHFFFAOYSA-N 0 0 289.331 1.812 50 0 CDAARN CC(C)c1noc(N2CCC[C@@H](CS(C)(=O)=O)C2)n1 ZINC000518510765 260441243 /nfs/dbraw/zinc/44/12/43/260441243.db2.gz PKPRACXEPZDBFR-SNVBAGLBSA-N 0 0 287.385 1.454 50 0 CDAARN CCn1[nH]cc2nc(-c3cccc(OCC(N)=O)c3)nc1-2 ZINC000048130220 424106156 /nfs/dbraw/zinc/10/61/56/424106156.db2.gz PRAYOBNSNDWLCO-UHFFFAOYSA-N 0 0 285.307 1.310 50 0 CDAARN Cn1cc(-c2cc(C[N@@H+]3CCC[C@@]3(C)C(=O)[O-])on2)cn1 ZINC000652480594 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/nfs/dbraw/zinc/07/85/10/278078510.db2.gz SYHGDVLBAOZESU-UHFFFAOYSA-N 0 0 292.266 1.203 50 0 CDAARN CC(=O)N[C@@H]1CCCN(c2ccccc2S(C)(=O)=O)C1 ZINC000096453557 278145672 /nfs/dbraw/zinc/14/56/72/278145672.db2.gz PXJTVPGBCUKZHM-GFCCVEGCSA-N 0 0 296.392 1.195 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(C[C@@H](CO)CO2)CC1 ZINC000238790012 278384406 /nfs/dbraw/zinc/38/44/06/278384406.db2.gz JRUCSSGRMPNHQM-NSHDSACASA-N 0 0 271.357 1.785 50 0 CDAARN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)NC2=O ZINC000071790264 278432109 /nfs/dbraw/zinc/43/21/09/278432109.db2.gz NOZDQWCXDKOKPR-XPTSAGLGSA-N 0 0 297.355 1.280 50 0 CDAARN Cc1cc(=O)cc(C(=O)N[C@@H]2COc3ccccc3C2)o1 ZINC000216292110 278624586 /nfs/dbraw/zinc/62/45/86/278624586.db2.gz QPKKACUJEBFMGR-LBPRGKRZSA-N 0 0 285.299 1.682 50 0 CDAARN C[C@@H]1CN(c2ccccc2Br)NC1=O ZINC000000192604 278805609 /nfs/dbraw/zinc/80/56/09/278805609.db2.gz NITIMGXZPKTDMX-SSDOTTSWSA-N 0 0 255.115 1.936 50 0 CDAARN Cc1ccc(Cl)cc1NCC(=O)N1CCNC1=O ZINC000010220011 278811342 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ZINC000091907000 280799805 /nfs/dbraw/zinc/79/98/05/280799805.db2.gz BSSMIXGHHNDTDH-LBPRGKRZSA-N 0 0 299.374 1.465 50 0 CDAARN O=S(=O)(NCC[C@H]1CCCOC1)N1CCCCCC1 ZINC000528449830 281234337 /nfs/dbraw/zinc/23/43/37/281234337.db2.gz NDNVYNDFDXOIHV-CYBMUJFWSA-N 0 0 290.429 1.514 50 0 CDAARN CCn1nncc1CN1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000459486959 281692414 /nfs/dbraw/zinc/69/24/14/281692414.db2.gz GRRVHLPJVOBJOC-SNVBAGLBSA-N 0 0 292.305 1.840 50 0 CDAARN C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C(=O)N1c1ccccc1 ZINC000098013493 288550352 /nfs/dbraw/zinc/55/03/52/288550352.db2.gz BSPXLJKFVLUUIC-BNOWGMLFSA-N 0 0 288.347 1.476 50 0 CDAARN O=C(N1CCOCC1)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000096000285 289063307 /nfs/dbraw/zinc/06/33/07/289063307.db2.gz OPQREKQYOXERBV-NWDGAFQWSA-N 0 0 270.398 1.799 50 0 CDAARN Cc1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)on1 ZINC000095970921 289063474 /nfs/dbraw/zinc/06/34/74/289063474.db2.gz GQFNCRLFFSWMQS-ONGXEEELSA-N 0 0 268.338 1.330 50 0 CDAARN C[NH+](C)CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380724 289073845 /nfs/dbraw/zinc/07/38/45/289073845.db2.gz HRPQPEMLNHTWPZ-AWEZNQCLSA-N 0 0 290.363 1.652 50 0 CDAARN Cn1cc(C=Cc2nc3cnccc3c(=O)[nH]2)cn1 ZINC000255420242 289371255 /nfs/dbraw/zinc/37/12/55/289371255.db2.gz DUWNESPYIBDQIU-IHWYPQMZSA-N 0 0 253.265 1.634 50 0 CDAARN COc1cc(C)ccc1C(=O)N[C@@H](C)c1nncn1C ZINC000547705437 289797916 /nfs/dbraw/zinc/79/79/16/289797916.db2.gz DTGYJEKCNUDCKL-JTQLQIEISA-N 0 0 274.324 1.623 50 0 CDAARN Cc1csc2ncc(C(=O)NC(C)(C)C)c(=O)n12 ZINC000006452290 293077745 /nfs/dbraw/zinc/07/77/45/293077745.db2.gz LRXXWUUQWUIAAM-UHFFFAOYSA-N 0 0 265.338 1.593 50 0 CDAARN Cc1nc(-c2nc3c([nH]2)C(=O)NCCC3)nc2c1CCCC2 ZINC000095391331 293146591 /nfs/dbraw/zinc/14/65/91/293146591.db2.gz KFVUBOKAJOGSMH-UHFFFAOYSA-N 0 0 297.362 1.730 50 0 CDAARN O=C(C[C@H]1CCOC1)NCc1cnn(-c2ccccc2)c1 ZINC000564881689 293443878 /nfs/dbraw/zinc/44/38/78/293443878.db2.gz UTNMGIBBWYVQKQ-CYBMUJFWSA-N 0 0 285.347 1.915 50 0 CDAARN 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/nfs/dbraw/zinc/36/58/49/193365849.db2.gz LNCSCJXSPOBZDW-SNVBAGLBSA-N 0 0 280.328 1.376 50 0 CDAARN CCCCNC(=O)COC(=O)c1cccnc1SC ZINC000003451013 369728869 /nfs/dbraw/zinc/72/88/69/369728869.db2.gz OZMABCMAMIGJAE-UHFFFAOYSA-N 0 0 282.365 1.877 50 0 CDAARN O=C(c1cc(=O)[nH]cn1)N1CCN(Cc2ccccc2)CC1 ZINC000575604834 370603412 /nfs/dbraw/zinc/60/34/12/370603412.db2.gz GBEHGEXLSHHDAP-UHFFFAOYSA-N 0 0 298.346 1.140 50 0 CDAARN CCC(=O)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575605134 370604417 /nfs/dbraw/zinc/60/44/17/370604417.db2.gz MVSAJVZHHCQVJR-JTQLQIEISA-N 0 0 269.732 1.910 50 0 CDAARN Cc1ncsc1C(=O)N1CC[C@@H](Oc2ncccn2)C1 ZINC000575605236 370604700 /nfs/dbraw/zinc/60/47/00/370604700.db2.gz HYPCFAKCXYBHDY-SNVBAGLBSA-N 0 0 290.348 1.535 50 0 CDAARN Cc1cc(C(=O)N[C@@H](Cn2ccnn2)C(C)C)no1 ZINC000575609244 370635518 /nfs/dbraw/zinc/63/55/18/370635518.db2.gz RYFJLHVQOFGTPE-NSHDSACASA-N 0 0 263.301 1.029 50 0 CDAARN Cc1cc(C)n([C@H](CNS(C)(=O)=O)c2cccs2)n1 ZINC000575605622 370608295 /nfs/dbraw/zinc/60/82/95/370608295.db2.gz RJORMMBVXNESAR-LLVKDONJSA-N 0 0 299.421 1.700 50 0 CDAARN O=C(c1ccccc1)N1CCN(C(=O)c2ccccn2)CC1 ZINC000023535603 370611284 /nfs/dbraw/zinc/61/12/84/370611284.db2.gz FKDRTQIIBFKWSB-UHFFFAOYSA-N 0 0 295.342 1.680 50 0 CDAARN O=C(CC1CC1)N1CCC[C@H](Oc2ncccn2)C1 ZINC000575606187 370613703 /nfs/dbraw/zinc/61/37/03/370613703.db2.gz STTKEVFLDKKEDH-LBPRGKRZSA-N 0 0 261.325 1.647 50 0 CDAARN O=C([C@@H]1CCCOC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123222365 371335046 /nfs/dbraw/zinc/33/50/46/371335046.db2.gz UWACSFSLPKRDJX-TZMCWYRMSA-N 0 0 276.336 1.488 50 0 CDAARN CCn1ccnc1CNC(=O)CN1CCCCCCC1=O ZINC000295786689 371454077 /nfs/dbraw/zinc/45/40/77/371454077.db2.gz QNXGKDFHQQNZSV-UHFFFAOYSA-N 0 0 292.383 1.312 50 0 CDAARN Cc1cc(C(=O)NCCOCCn2ccnc2)c(C)o1 ZINC000575619639 372041246 /nfs/dbraw/zinc/04/12/46/372041246.db2.gz LCAHIMZUFOFVKC-UHFFFAOYSA-N 0 0 277.324 1.540 50 0 CDAARN COCCn1cncc1CNC(=O)c1ccncc1C ZINC000299755061 372744964 /nfs/dbraw/zinc/74/49/64/372744964.db2.gz AQXQUJDLCPLRTH-UHFFFAOYSA-N 0 0 274.324 1.163 50 0 CDAARN CCCCn1nc(C)cc1NC(=O)N[C@@H]1CCNC1=O ZINC000299776263 372754296 /nfs/dbraw/zinc/75/42/96/372754296.db2.gz MHENDRLUBONIRJ-SNVBAGLBSA-N 0 0 279.344 1.002 50 0 CDAARN COc1cccc(C)c1NC(=O)N1CCOC[C@@H]1CO ZINC000299778834 372754834 /nfs/dbraw/zinc/75/48/34/372754834.db2.gz HUCKKKRSYOTSFC-NSHDSACASA-N 0 0 280.324 1.229 50 0 CDAARN C[C@H]1CNC(=O)CCN1C(=O)Nc1cccc2cccnc21 ZINC000299779994 372756884 /nfs/dbraw/zinc/75/68/84/372756884.db2.gz QHDISBCMKBZJBJ-NSHDSACASA-N 0 0 298.346 1.977 50 0 CDAARN CC1=NO[C@@H](C(=O)NCCc2cn3ccsc3n2)C1 ZINC000299795411 372767222 /nfs/dbraw/zinc/76/72/22/372767222.db2.gz KIEMICNDDXWDFF-SNVBAGLBSA-N 0 0 278.337 1.219 50 0 CDAARN CC(C)n1cnnc1[C@@H](C)NC(=O)c1ccn(C(F)F)n1 ZINC000299795805 372769821 /nfs/dbraw/zinc/76/98/21/372769821.db2.gz LYWYPJLPYDEEEA-MRVPVSSYSA-N 0 0 298.297 1.942 50 0 CDAARN Cc1nc(C(C)C)ncc1C(=O)NC[C@H]1COCCO1 ZINC000299796119 372769894 /nfs/dbraw/zinc/76/98/94/372769894.db2.gz NAGQBTBKUCEKHV-NSHDSACASA-N 0 0 279.340 1.054 50 0 CDAARN O=C(CN1CCOC1=O)NC1(c2cc(F)cc(F)c2)CC1 ZINC000299802490 372772755 /nfs/dbraw/zinc/77/27/55/372772755.db2.gz XDZHBUFFPYMCQN-UHFFFAOYSA-N 0 0 296.273 1.522 50 0 CDAARN O[C@H]1C[C@@H](c2cc(NCCc3ccncc3)ncn2)C1 ZINC000244796173 189912888 /nfs/dbraw/zinc/91/28/88/189912888.db2.gz RUHRJZFICHUSFT-BETUJISGSA-N 0 0 270.336 1.765 50 0 CDAARN O=C(c1ccc(F)cc1)N1CC[C@@H](n2nccn2)C1 ZINC000244947589 189914915 /nfs/dbraw/zinc/91/49/15/189914915.db2.gz DNHURCFJJOTCJU-GFCCVEGCSA-N 0 0 260.272 1.504 50 0 CDAARN O=C(Nc1ccc(O)cc1)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000245226460 189916638 /nfs/dbraw/zinc/91/66/38/189916638.db2.gz YENGWQFRGSMEOS-WDAHDJQVSA-N 0 0 273.288 1.528 50 0 CDAARN CC(=O)Nc1nc(C(=O)N2C[C@@H]3CCC[C@@H]3C2)cs1 ZINC000089265639 373301420 /nfs/dbraw/zinc/30/14/20/373301420.db2.gz KVLVAHJSPZUPSX-AOOOYVTPSA-N 0 0 279.365 1.974 50 0 CDAARN COC(=O)[C@]1(C)CN(C(=O)NCCn2cccc2)C[C@H]1C ZINC000253395618 373684036 /nfs/dbraw/zinc/68/40/36/373684036.db2.gz OCRUNYBYELSHNG-IUODEOHRSA-N 0 0 293.367 1.329 50 0 CDAARN C[C@H](CNC(=O)Nc1nccs1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106069975 373749812 /nfs/dbraw/zinc/74/98/12/373749812.db2.gz FOONRZOYZHXFCR-GMTAPVOTSA-N 0 0 298.412 1.762 50 0 CDAARN COc1ccccc1C(=O)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 ZINC000253472406 373805952 /nfs/dbraw/zinc/80/59/52/373805952.db2.gz MBKBSLMKLGBAPO-BYCMXARLSA-N 0 0 291.347 1.762 50 0 CDAARN COc1ccccc1C(=O)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 ZINC000253472408 373806087 /nfs/dbraw/zinc/80/60/87/373806087.db2.gz MBKBSLMKLGBAPO-KCPJHIHWSA-N 0 0 291.347 1.762 50 0 CDAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCC(C)C ZINC000012986850 373893473 /nfs/dbraw/zinc/89/34/73/373893473.db2.gz HOFPBEYGGRHVOV-UHFFFAOYSA-N 0 0 263.297 1.600 50 0 CDAARN CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCO[C@H](C)C2)cc1 ZINC000103508073 374003536 /nfs/dbraw/zinc/00/35/36/374003536.db2.gz KAZCDZNWNYFKTD-VXGBXAGGSA-N 0 0 290.363 1.937 50 0 CDAARN CCNC(=O)CCCn1cc(COc2ccccc2)nn1 ZINC000252481745 374152391 /nfs/dbraw/zinc/15/23/91/374152391.db2.gz CRGCHXYYJPGQMA-UHFFFAOYSA-N 0 0 288.351 1.773 50 0 CDAARN CN1C(=O)C[C@H](Nc2ccc(C(F)(F)F)cn2)C1=O ZINC000115263445 374164109 /nfs/dbraw/zinc/16/41/09/374164109.db2.gz RNLJMBHBTFAKJD-ZETCQYMHSA-N 0 0 273.214 1.270 50 0 CDAARN O=C(NCCn1ccn2nccc12)[C@H]1CC=CCC1 ZINC000206745365 374198318 /nfs/dbraw/zinc/19/83/18/374198318.db2.gz OBQMRXUYGLIGNU-LBPRGKRZSA-N 0 0 258.325 1.608 50 0 CDAARN CO[C@H](CNC(=O)C(=O)Nc1ccccc1)c1ccco1 ZINC000206866742 374200413 /nfs/dbraw/zinc/20/04/13/374200413.db2.gz MNFYRLYVCNNXPY-CYBMUJFWSA-N 0 0 288.303 1.722 50 0 CDAARN COC(=O)C(CC[C@]1(C)C(=O)C=CC[C@@H]1C)C(=O)OC ZINC000043762580 374341813 /nfs/dbraw/zinc/34/18/13/374341813.db2.gz UVBALAQSQMTGJP-BONVTDFDSA-N 0 0 282.336 1.900 50 0 CDAARN O=C(Nn1cnnc1)c1cc(Cl)cc(Cl)c1 ZINC000000319778 284447646 /nfs/dbraw/zinc/44/76/46/284447646.db2.gz DXNNRDZAUFUFET-UHFFFAOYSA-N 0 0 257.080 1.969 50 0 CDAARN Cc1nccn1CCCNC(=O)[C@H](C)n1cccc1 ZINC000670456489 483034581 /nfs/dbraw/zinc/03/45/81/483034581.db2.gz AJEGTUOXUIFQMB-LBPRGKRZSA-N 0 0 260.341 1.761 50 0 CDAARN C=Cn1cc(CN2CC[S@](=O)C[C@H](C)C2)cn1 ZINC000278128160 374831089 /nfs/dbraw/zinc/83/10/89/374831089.db2.gz BUBBJIIGYYWJNI-DIFFPNOSSA-N 0 0 253.371 1.184 50 0 CDAARN CC(C)c1nc(Cn2nc3ccccn3c2=O)no1 ZINC000095349710 374886105 /nfs/dbraw/zinc/88/61/05/374886105.db2.gz BBHILKMOWWQZQM-UHFFFAOYSA-N 0 0 259.269 1.051 50 0 CDAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1nccnc1N ZINC000095397294 374901997 /nfs/dbraw/zinc/90/19/97/374901997.db2.gz DDDDIXBEWNFXIL-JTQLQIEISA-N 0 0 288.355 1.100 50 0 CDAARN COC(=O)C[C@@H](C)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000095412311 374916775 /nfs/dbraw/zinc/91/67/75/374916775.db2.gz PPJQTFGXTUIAFB-ZJUUUORDSA-N 0 0 295.383 1.283 50 0 CDAARN Cc1cc(CC(=O)N[C@H](C)C[C@H](O)c2ccccc2)n[nH]1 ZINC000095417749 374919999 /nfs/dbraw/zinc/91/99/99/374919999.db2.gz WTDPFWHQFFNGON-ABAIWWIYSA-N 0 0 287.363 1.889 50 0 CDAARN Cc1ccccc1OCCN1CCC2(C1)OCCO2 ZINC000095431918 374932248 /nfs/dbraw/zinc/93/22/48/374932248.db2.gz HKTYHVOSQKBISQ-UHFFFAOYSA-N 0 0 263.337 1.823 50 0 CDAARN CC(C)[C@H](CCO)NS(=O)(=O)c1cccc(F)c1F ZINC000095433247 374934155 /nfs/dbraw/zinc/93/41/55/374934155.db2.gz LSTLVZZCXHCALD-JTQLQIEISA-N 0 0 293.335 1.650 50 0 CDAARN O=C(C1CCOCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125836408 374969727 /nfs/dbraw/zinc/96/97/27/374969727.db2.gz ZXSBVMVOWGGTGS-UHFFFAOYSA-N 0 0 263.341 1.542 50 0 CDAARN Cc1csc(CNc2ccc(OCCO)nc2)n1 ZINC000095436165 374937642 /nfs/dbraw/zinc/93/76/42/374937642.db2.gz NURDOAWHVGNXAG-UHFFFAOYSA-N 0 0 265.338 1.830 50 0 CDAARN CON(C)C(=O)[C@H]1COc2ccc(Br)cc21 ZINC000095442223 374938154 /nfs/dbraw/zinc/93/81/54/374938154.db2.gz ADQLJBRQHRFCSX-VIFPVBQESA-N 0 0 286.125 1.945 50 0 CDAARN NC(=O)Cc1ccccc1OCc1nc(C2CC2)no1 ZINC000095442512 374944536 /nfs/dbraw/zinc/94/45/36/374944536.db2.gz AAQSVZBGAMYJHS-UHFFFAOYSA-N 0 0 273.292 1.554 50 0 CDAARN CCc1cc(C)c(C(=O)N2C[C@@H](CO)OC[C@@H]2C)o1 ZINC000095450098 374950329 /nfs/dbraw/zinc/95/03/29/374950329.db2.gz XTXOSOCKHQDDFP-JQWIXIFHSA-N 0 0 267.325 1.372 50 0 CDAARN CCc1cnc(CN2CCO[C@@H](c3nnc(CC)[nH]3)C2)o1 ZINC000095402409 374906575 /nfs/dbraw/zinc/90/65/75/374906575.db2.gz LTLWMTFWPIWTRK-LLVKDONJSA-N 0 0 291.355 1.491 50 0 CDAARN O=C1CN(Cc2nc(C3CC3)no2)c2ccccc2N1 ZINC000095976123 375047296 /nfs/dbraw/zinc/04/72/96/375047296.db2.gz YFSSEZXIIDTQND-UHFFFAOYSA-N 0 0 270.292 1.906 50 0 CDAARN C[S@](=O)c1nncn1CCSc1ccc(F)cc1 ZINC000095988651 375047930 /nfs/dbraw/zinc/04/79/30/375047930.db2.gz HHKDHANAZBHCLT-GOSISDBHSA-N 0 0 285.369 1.947 50 0 CDAARN CNC(=O)[C@@H]1CN(C(=O)c2cccc(C)c2Cl)CCO1 ZINC000097081841 375145006 /nfs/dbraw/zinc/14/50/06/375145006.db2.gz VUESZDKSNGLCEO-NSHDSACASA-N 0 0 296.754 1.235 50 0 CDAARN CCCCCS(=O)(=O)N(C)Cc1nccn1C ZINC000097115427 375150934 /nfs/dbraw/zinc/15/09/34/375150934.db2.gz JPAFQHKTVXSYTK-UHFFFAOYSA-N 0 0 259.375 1.372 50 0 CDAARN Cc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1F ZINC000097230144 375155910 /nfs/dbraw/zinc/15/59/10/375155910.db2.gz NVRWECCSIZLSTA-JTQLQIEISA-N 0 0 289.314 1.667 50 0 CDAARN COCCN(Cc1ccsc1)C(=O)N1CCNC1=O ZINC000225617810 375172108 /nfs/dbraw/zinc/17/21/08/375172108.db2.gz BIOCRXRYBYMSFR-UHFFFAOYSA-N 0 0 283.353 1.342 50 0 CDAARN CC(=O)NCCC(=O)Nc1nc2ccccc2s1 ZINC000002626092 375276005 /nfs/dbraw/zinc/27/60/05/375276005.db2.gz KMHQWOCIRRAVCW-UHFFFAOYSA-N 0 0 263.322 1.761 50 0 CDAARN O=S(=O)(NC[C@@H]1CCCO1)c1ccccc1F ZINC000002659554 375290631 /nfs/dbraw/zinc/29/06/31/375290631.db2.gz ACSAOMBIEDXXQA-VIFPVBQESA-N 0 0 259.302 1.283 50 0 CDAARN COc1ccc(OC)c([C@H](C)NS(C)(=O)=O)c1 ZINC000002774784 375324261 /nfs/dbraw/zinc/32/42/61/375324261.db2.gz ZXVCKBWPJDEQIH-QMMMGPOBSA-N 0 0 259.327 1.314 50 0 CDAARN C[Si](C)(C)CCOCOC1CC[NH+](CC(=O)[O-])CC1 ZINC000253533969 189994145 /nfs/dbraw/zinc/99/41/45/189994145.db2.gz WSFSQBCYRLEGOV-UHFFFAOYSA-N 0 0 289.448 1.864 50 0 CDAARN COC(=O)NC(NC(=O)OC)C(Cl)(Cl)Cl ZINC000003214009 375589627 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/nfs/dbraw/zinc/55/21/52/378552152.db2.gz URMLIFNFRRAIRV-UHFFFAOYSA-N 0 0 298.302 1.956 50 0 CDAARN Nc1ccc([C@H]2CCCc3nonc32)c2nonc21 ZINC000000236383 295355368 /nfs/dbraw/zinc/35/53/68/295355368.db2.gz KUULVZYLNFPPRV-ZCFIWIBFSA-N 0 0 257.253 1.656 50 0 CDAARN Cc1ccccc1Cc1nnn(Cc2ncnn2C(C)C)n1 ZINC000278546781 194037639 /nfs/dbraw/zinc/03/76/39/194037639.db2.gz AAPDPPSCCCZXDG-UHFFFAOYSA-N 0 0 297.366 1.793 50 0 CDAARN Cc1cnc(=O)[nH]c1SCC(=O)NCc1ccccc1 ZINC000009808878 379536844 /nfs/dbraw/zinc/53/68/44/379536844.db2.gz UVTBIWCVLHSAJQ-UHFFFAOYSA-N 0 0 289.360 1.487 50 0 CDAARN COc1ccccc1CCNC(=O)C(=O)NC1CCCC1 ZINC000010325585 379635435 /nfs/dbraw/zinc/63/54/35/379635435.db2.gz NQQZWVALFMMPFV-UHFFFAOYSA-N 0 0 290.363 1.413 50 0 CDAARN O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1F ZINC000010464428 379665355 /nfs/dbraw/zinc/66/53/55/379665355.db2.gz SCLGRLVSQNHQKK-UHFFFAOYSA-N 0 0 293.277 1.824 50 0 CDAARN O=C(NC[C@@H]1CCc2nccn2C1)N1C[C@H]2CCC[C@@H]2C1 ZINC000279020337 194252468 /nfs/dbraw/zinc/25/24/68/194252468.db2.gz UVKZVLXTKRQMMF-BFHYXJOUSA-N 0 0 288.395 1.887 50 0 CDAARN CCc1ccc(C(=O)CSc2nnnn2C)cc1 ZINC000000060960 169522371 /nfs/dbraw/zinc/52/23/71/169522371.db2.gz YHAIAFHWWPKOAM-UHFFFAOYSA-N 0 0 262.338 1.748 50 0 CDAARN CCCn1cnc2sc(C(=O)OC)c(C)c2c1=O ZINC000000132432 169548507 /nfs/dbraw/zinc/54/85/07/169548507.db2.gz QXZVEMXRKDYMPX-UHFFFAOYSA-N 0 0 266.322 1.963 50 0 CDAARN CC(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@@](=O)C2 ZINC000000212254 169576633 /nfs/dbraw/zinc/57/66/33/169576633.db2.gz ATWUVTKLHWWOOZ-HXUWFJFHSA-N 0 0 289.360 1.901 50 0 CDAARN COc1ccccc1CNc1ncnc2nc[nH]c21 ZINC000000213912 169577677 /nfs/dbraw/zinc/57/76/77/169577677.db2.gz STWJKIOLMNHFIK-UHFFFAOYSA-N 0 0 255.281 1.974 50 0 biogenic CDAARN NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000000332679 169609460 /nfs/dbraw/zinc/60/94/60/169609460.db2.gz MWYUFCXZABNQKA-SDNWHVSQSA-N 0 0 266.300 1.943 50 0 CDAARN COc1ccccc1-n1nnc2ccccc2c1=O ZINC000000400159 169631082 /nfs/dbraw/zinc/63/10/82/169631082.db2.gz GYOBAELIHPLOAZ-UHFFFAOYSA-N 0 0 253.261 1.789 50 0 CDAARN O=C(Nc1cccc(-n2cnnn2)c1)c1ccccc1 ZINC000000411536 169634032 /nfs/dbraw/zinc/63/40/32/169634032.db2.gz PSLKFOVRFARHHE-UHFFFAOYSA-N 0 0 265.276 1.915 50 0 CDAARN O=C1c2ccc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1O ZINC000004098319 285016822 /nfs/dbraw/zinc/01/68/22/285016822.db2.gz VRTGGIJPIYOHGT-LSDHHAIUSA-N 0 0 272.256 1.775 50 0 endogenous,in-man CDAARN COc1cc(NC(=O)NCC2(C)CCC2)ncn1 ZINC000096501644 532995312 /nfs/dbraw/zinc/99/53/12/532995312.db2.gz ZVJSNPROTOVRPI-UHFFFAOYSA-N 0 0 250.302 1.797 50 0 CDAARN C[C@@H](NC(=O)CCCn1cccc1)[C@H]1CCOC1 ZINC000096486830 533061039 /nfs/dbraw/zinc/06/10/39/533061039.db2.gz QQNCHYDYWYESOU-OLZOCXBDSA-N 0 0 250.342 1.810 50 0 CDAARN CCC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccnn1C ZINC000492679992 253271330 /nfs/dbraw/zinc/27/13/30/253271330.db2.gz KKNGJWWPUYKCLI-WSROAFLRSA-N 0 0 275.352 1.794 50 0 CDAARN CO[C@H](C)CCOC(=O)c1cn(-c2ccccc2)nn1 ZINC000096442884 533071854 /nfs/dbraw/zinc/07/18/54/533071854.db2.gz AZFSFXSHKJBJRA-LLVKDONJSA-N 0 0 275.308 1.849 50 0 CDAARN CC[C@@H]1CN(C(=O)c2ocnc2C2CC2)C[C@H](C)[S@@]1=O ZINC000289317855 197294287 /nfs/dbraw/zinc/29/42/87/197294287.db2.gz BFSDVWKKHPYRIQ-XAJVAHTNSA-N 0 0 296.392 1.924 50 0 CDAARN C[C@@H](NC(=O)N1CCC[C@@H](C2(C)OCCO2)C1)C1CC1 ZINC000096502041 533120302 /nfs/dbraw/zinc/12/03/02/533120302.db2.gz VIFSDPZHYUAMLV-DGCLKSJQSA-N 0 0 282.384 1.970 50 0 CDAARN Cc1cc(CN2CCN(C[C@H](O)C(F)(F)F)CC2)no1 ZINC000185149230 291889897 /nfs/dbraw/zinc/88/98/97/291889897.db2.gz BLSFATLMRRKPQL-NSHDSACASA-N 0 0 293.289 1.024 50 0 CDAARN O=c1[nH]c2ccsc2c(=O)n1-c1cccc(F)c1 ZINC000040478786 285200786 /nfs/dbraw/zinc/20/07/86/285200786.db2.gz FSKRSOFHOMSXKX-UHFFFAOYSA-N 0 0 262.265 1.880 50 0 CDAARN O=C(C[C@@H]1CCCC(=O)N1)N1CCOCc2ccccc21 ZINC000288587334 197120848 /nfs/dbraw/zinc/12/08/48/197120848.db2.gz CVSWUXKTXDJDDF-ZDUSSCGKSA-N 0 0 288.347 1.609 50 0 CDAARN O=C(NCCCOC[C@H]1CCOC1)c1ccoc1 ZINC000096418860 256762503 /nfs/dbraw/zinc/76/25/03/256762503.db2.gz AWRPLDLUGYNFMJ-LLVKDONJSA-N 0 0 253.298 1.453 50 0 CDAARN CCCCNC(=O)c1cnc(N(C)C)nc1COC ZINC000096182434 256795177 /nfs/dbraw/zinc/79/51/77/256795177.db2.gz AMGSRSGEZTWGMB-UHFFFAOYSA-N 0 0 266.345 1.219 50 0 CDAARN Cc1cc(-c2nc3c(cnn3C)c(N)n2)ccc1F ZINC000426528133 256860428 /nfs/dbraw/zinc/86/04/28/256860428.db2.gz XDPYSZHQMZECDA-UHFFFAOYSA-N 0 0 257.272 1.890 50 0 CDAARN Cc1noc(C)c1NC(=O)NCc1nnc(N)s1 ZINC000096180480 256888023 /nfs/dbraw/zinc/88/80/23/256888023.db2.gz FVUURBSBFFAASO-UHFFFAOYSA-N 0 0 268.302 1.047 50 0 CDAARN COC(=O)CCC(=O)c1ccc(NC(C)=O)s1 ZINC000001237276 169692523 /nfs/dbraw/zinc/69/25/23/169692523.db2.gz XDANMXQQTGZUHM-UHFFFAOYSA-N 0 0 255.295 1.842 50 0 CDAARN COC(=O)c1ccn(COc2ccc(OC)cc2)n1 ZINC000002526621 390143218 /nfs/dbraw/zinc/14/32/18/390143218.db2.gz ZSJHJQWBNZKJOR-UHFFFAOYSA-N 0 0 262.265 1.715 50 0 CDAARN [NH3+][C@H](Cc1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC000002528381 390143328 /nfs/dbraw/zinc/14/33/28/390143328.db2.gz IHAMHAXPNFCJJZ-MRVPVSSYSA-N 0 0 251.179 1.799 50 0 CDAARN C[C@@H]1CC(=O)c2cn3nc(-c4cccnc4)nc3nc2C1 ZINC000005485641 390162580 /nfs/dbraw/zinc/16/25/80/390162580.db2.gz VEIVDJUAKPYEBF-VIFPVBQESA-N 0 0 279.303 1.951 50 0 CDAARN CC(C)[C@@H](O)CCNS(=O)(=O)c1ccccc1 ZINC000095433224 184982519 /nfs/dbraw/zinc/98/25/19/184982519.db2.gz PMVYKCWAHIWJTC-LBPRGKRZSA-N 0 0 257.355 1.372 50 0 CDAARN CC(C)(CCO)CNS(=O)(=O)c1cncc(Cl)c1 ZINC000095437313 184985219 /nfs/dbraw/zinc/98/52/19/184985219.db2.gz GRLIGXCOWGQTON-UHFFFAOYSA-N 0 0 292.788 1.422 50 0 CDAARN CC(C)N(CC(F)F)C(=O)[C@H]1CCn2ccnc2C1 ZINC000095440899 184986232 /nfs/dbraw/zinc/98/62/32/184986232.db2.gz PSIFZXQJKFXJRR-JTQLQIEISA-N 0 0 271.311 1.948 50 0 CDAARN Cc1cc(C(=O)Nc2ccc(OCCO)cc2)n(C)n1 ZINC000095447851 184988623 /nfs/dbraw/zinc/98/86/23/184988623.db2.gz HXZHJZAJHUTTCM-UHFFFAOYSA-N 0 0 275.308 1.352 50 0 CDAARN COC(=O)[C@@H](C)CNC(=O)Nc1ccncc1F ZINC000095454817 184991092 /nfs/dbraw/zinc/99/10/92/184991092.db2.gz VOSJVFIFRINPCH-ZETCQYMHSA-N 0 0 255.249 1.151 50 0 CDAARN COc1ccc(CN(CC(N)=O)C2CC2)c(OC)c1 ZINC000027588873 390252493 /nfs/dbraw/zinc/25/24/93/390252493.db2.gz AGZUPBCQLGKUPJ-UHFFFAOYSA-N 0 0 264.325 1.154 50 0 CDAARN CCOC(=O)CS[C@@H](CC(=O)OCC)C(=O)OCC ZINC000001603539 169723927 /nfs/dbraw/zinc/72/39/27/169723927.db2.gz QDVIJRDWNYKBRY-VIFPVBQESA-N 0 0 292.353 1.168 50 0 CDAARN [NH3+][C@@H](Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000033597694 390397892 /nfs/dbraw/zinc/39/78/92/390397892.db2.gz JKURDBSSRLCLKP-QMMMGPOBSA-N 0 0 251.179 1.799 50 0 CDAARN C[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)C2CCC2)CC1 ZINC000096403494 390504917 /nfs/dbraw/zinc/50/49/17/390504917.db2.gz SLXIPIIMJYALPU-GXFFZTMASA-N 0 0 264.369 1.550 50 0 CDAARN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc(C2CCCC2)[nH]n1 ZINC000096412559 390510301 /nfs/dbraw/zinc/51/03/01/390510301.db2.gz OAFNEDKZVQRBLS-UWVGGRQHSA-N 0 0 277.324 1.815 50 0 CDAARN Brc1cnc(Br)c2ncnn21 ZINC000049582321 390471153 /nfs/dbraw/zinc/47/11/53/390471153.db2.gz IDWOTLNDEITXRA-UHFFFAOYSA-N 0 0 277.907 1.649 50 0 CDAARN COC[C@H](O)CN(C)CC(=O)NC1CCCCCCC1 ZINC000096424656 390516507 /nfs/dbraw/zinc/51/65/07/390516507.db2.gz ZMBTUZSRPDDDBE-CQSZACIVSA-N 0 0 286.416 1.155 50 0 CDAARN CCN(Cc1noc(C)n1)C(=O)C1(COC)CCC1 ZINC000065381955 390550866 /nfs/dbraw/zinc/55/08/66/390550866.db2.gz AHYOGRCDXNXJNB-UHFFFAOYSA-N 0 0 267.329 1.543 50 0 CDAARN O=S1(=O)N[C@@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000071772725 390618829 /nfs/dbraw/zinc/61/88/29/390618829.db2.gz CQFMYKOPDSGUGD-KBPBESRZSA-N 0 0 274.345 1.907 50 0 CDAARN C/C=C\CS(=O)(=O)NC[C@@H](c1cccs1)N(C)C ZINC000098056484 390869948 /nfs/dbraw/zinc/86/99/48/390869948.db2.gz KLMNOPAKOXWADU-WYGGZMRJSA-N 0 0 288.438 1.846 50 0 CDAARN CCc1ccc(C(=O)N(C)C2(C(N)=O)CCCC2)c(C)n1 ZINC000188039194 390949135 /nfs/dbraw/zinc/94/91/35/390949135.db2.gz VUHBUWFVLCHAAV-UHFFFAOYSA-N 0 0 289.379 1.823 50 0 CDAARN CCn1nc(C)cc1C(=O)NCCc1c(C)n[nH]c1C ZINC000215581857 390996620 /nfs/dbraw/zinc/99/66/20/390996620.db2.gz APBVLPKPBWAGNA-UHFFFAOYSA-N 0 0 275.356 1.524 50 0 CDAARN O=S(=O)(N1CCCC1)N1CCSc2ccccc21 ZINC000095410319 296456309 /nfs/dbraw/zinc/45/63/09/296456309.db2.gz QFKQFPIZYCAMKI-UHFFFAOYSA-N 0 0 284.406 1.939 50 0 CDAARN O=C([O-])c1ccc(OCCCN2CC[NH2+]CC2)cc1 ZINC000019798101 391155910 /nfs/dbraw/zinc/15/59/10/391155910.db2.gz HKWLSOYRBXNGKM-UHFFFAOYSA-N 0 0 264.325 1.059 50 0 CDAARN C[S@](=O)c1nncn1CC(=O)C1CCCCC1 ZINC000096447746 533590781 /nfs/dbraw/zinc/59/07/81/533590781.db2.gz RCDGTGJNKSDKGF-QGZVFWFLSA-N 0 0 255.343 1.165 50 0 CDAARN CCO[C@H]1C[C@@](O)(CNC(=O)c2cccc(=O)[nH]2)C1(C)C ZINC000283033955 391473430 /nfs/dbraw/zinc/47/34/30/391473430.db2.gz OTWODOCHZOMDOK-XHDPSFHLSA-N 0 0 294.351 1.083 50 0 CDAARN Cc1nc(C)c(Cn2cnc3c(cnn3C)c2=O)s1 ZINC000089559284 391776549 /nfs/dbraw/zinc/77/65/49/391776549.db2.gz DSLZKUWZUJRUCV-UHFFFAOYSA-N 0 0 275.337 1.252 50 0 CDAARN CCS(=O)(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000264332809 391782379 /nfs/dbraw/zinc/78/23/79/391782379.db2.gz UDLYFYINQOWOMY-LLVKDONJSA-N 0 0 257.330 1.965 50 0 CDAARN CC(C)c1cc(C(=O)N2CCNC(=O)C2)c2ccccc2n1 ZINC000032088696 391937175 /nfs/dbraw/zinc/93/71/75/391937175.db2.gz PTWNQJDDKWWIOX-UHFFFAOYSA-N 0 0 297.358 1.930 50 0 CDAARN Cc1csc2ncc(C(=O)Nc3ccncc3)c(=O)n12 ZINC000033784176 391912835 /nfs/dbraw/zinc/91/28/35/391912835.db2.gz SDZPSKXWZHXDPH-UHFFFAOYSA-N 0 0 286.316 1.712 50 0 CDAARN O=C(Nc1cnc2n1CCCC2)c1n[nH]c2c1CCC2 ZINC000067774339 391964045 /nfs/dbraw/zinc/96/40/45/391964045.db2.gz GAXJWCNPQBJSGI-UHFFFAOYSA-N 0 0 271.324 1.684 50 0 CDAARN Cc1ccc2c(c1)[C@@](O)([C@H]1COC(C)(C)CC1=O)C(=O)N2 ZINC000000229552 392726831 /nfs/dbraw/zinc/72/68/31/392726831.db2.gz XNHZGZZHBFCLPG-MEDUHNTESA-N 0 0 289.331 1.519 50 0 biogenic CDAARN C[C@@H]1C[C@H](C)CN(C(=O)CCNC(=O)c2ccnn2C)C1 ZINC000096192378 393168201 /nfs/dbraw/zinc/16/82/01/393168201.db2.gz UJOGOZGPYSKECH-TXEJJXNPSA-N 0 0 292.383 1.045 50 0 CDAARN COc1ccc(C2=NO[C@](C)(C(=O)NC3CC3)C2)cc1 ZINC000096192784 393168349 /nfs/dbraw/zinc/16/83/49/393168349.db2.gz RRZBOTWRIRSPKU-HNNXBMFYSA-N 0 0 274.320 1.857 50 0 CDAARN CNC(=O)c1ccc(NC(=O)/C=C\c2cnn(C)c2)c(C)c1 ZINC000096307024 393174444 /nfs/dbraw/zinc/17/44/44/393174444.db2.gz LTENERHNRJXJAV-DAXSKMNVSA-N 0 0 298.346 1.740 50 0 CDAARN CO[C@@H](CNC(=O)c1cn(C)nn1)c1cccc(F)c1 ZINC000096388321 393178323 /nfs/dbraw/zinc/17/83/23/393178323.db2.gz MFPIWZVATKWMGV-LBPRGKRZSA-N 0 0 278.287 1.072 50 0 CDAARN CC(C)Cn1ncnc1Cn1cnc(C(C)C)cc1=O ZINC000195553157 393289425 /nfs/dbraw/zinc/28/94/25/393289425.db2.gz DYKGGTZJKQDOJM-UHFFFAOYSA-N 0 0 275.356 1.663 50 0 CDAARN C[C@H]1CN(C(=O)c2ccnc(-c3ncc[nH]3)c2)[C@@H](C)CN1C ZINC000645955150 393431564 /nfs/dbraw/zinc/43/15/64/393431564.db2.gz WARSAYNVXLGEJJ-RYUDHWBXSA-N 0 0 299.378 1.636 50 0 CDAARN NC(=O)C1CCN(c2ccc(Br)cn2)CC1 ZINC000042351309 134887172 /nfs/dbraw/zinc/88/71/72/134887172.db2.gz USKDPTOKHGSGHP-UHFFFAOYSA-N 0 0 284.157 1.546 50 0 CDAARN COC[C@]1(O)CCN(c2cnc(C)c(C)n2)CC1(C)C ZINC000091462326 135070265 /nfs/dbraw/zinc/07/02/65/135070265.db2.gz CAYAYVLPGLFUIY-OAHLLOKOSA-N 0 0 279.384 1.707 50 0 CDAARN Cc1c(C(=O)N2CCCC2)sc2ncn(C)c(=O)c12 ZINC000041293361 397608114 /nfs/dbraw/zinc/60/81/14/397608114.db2.gz CTOHLWGCWHNJHP-UHFFFAOYSA-N 0 0 277.349 1.539 50 0 CDAARN Cc1ccc(S(=O)(=O)NN2CCS[C@@H](C)C2)cc1 ZINC000000405446 292181979 /nfs/dbraw/zinc/18/19/79/292181979.db2.gz KOMYHRBDRMTHAB-NSHDSACASA-N 0 0 286.422 1.626 50 0 CDAARN CNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2C)C1 ZINC000335142954 150333184 /nfs/dbraw/zinc/33/31/84/150333184.db2.gz RCPSFDFEWYUKNY-GFCCVEGCSA-N 0 0 296.392 1.060 50 0 CDAARN COc1cc(OC)nc(N2CCO[C@@H](C(F)(F)F)C2)n1 ZINC000071745442 286242935 /nfs/dbraw/zinc/24/29/35/286242935.db2.gz SRDVCJVOXHDIMK-SSDOTTSWSA-N 0 0 293.245 1.261 50 0 CDAARN COc1cc([C@@H]2c3c(C)n[nH]c3C(=O)N2C)ccc1O ZINC000006747792 286246342 /nfs/dbraw/zinc/24/63/42/286246342.db2.gz HKRDYBKOUYNHGY-CYBMUJFWSA-N 0 0 273.292 1.607 50 0 CDAARN CO[C@H]1CCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000336087145 151257173 /nfs/dbraw/zinc/25/71/73/151257173.db2.gz WKOSGGXEVNCEGT-ZETCQYMHSA-N 0 0 281.786 1.811 50 0 CDAARN COc1cc2c(cc1OC)[C@H]1CC(=O)CC(=O)N1CC2 ZINC000004087892 286260826 /nfs/dbraw/zinc/26/08/26/286260826.db2.gz XFQOUAQRCFBYQW-GFCCVEGCSA-N 0 0 275.304 1.493 50 0 CDAARN CS(=O)(=O)c1cc(Br)ccc1F ZINC000016158653 286631961 /nfs/dbraw/zinc/63/19/61/286631961.db2.gz VXQZZSWCUVJUEG-UHFFFAOYSA-N 0 0 253.092 1.992 50 0 CDAARN CN(CC(F)(F)F)[C@H]1CCC[C@H]1S(C)(=O)=O ZINC000241590482 289538386 /nfs/dbraw/zinc/53/83/86/289538386.db2.gz PFFFUKUERBXVEL-JGVFFNPUSA-N 0 0 259.293 1.446 50 0 CDAARN CC[C@@H](C(=O)N(C)C)N(c1ccccc1)S(C)(=O)=O ZINC000013710961 286724468 /nfs/dbraw/zinc/72/44/68/286724468.db2.gz IACNCKDZAVJSKG-LBPRGKRZSA-N 0 0 284.381 1.319 50 0 CDAARN Cc1cc(C)cc(NC(=O)C[C@@H]2SCCNC2=O)c1 ZINC000002341169 169786393 /nfs/dbraw/zinc/78/63/93/169786393.db2.gz GFWXKCHMDVFJOY-LBPRGKRZSA-N 0 0 278.377 1.864 50 0 CDAARN Cc1c(NC(=O)c2c(Br)cnn2C)cnn1C ZINC000002781224 169829957 /nfs/dbraw/zinc/82/99/57/169829957.db2.gz GTFRDRSDGBROLX-UHFFFAOYSA-N 0 0 298.144 1.477 50 0 CDAARN CCn1ncc(NC(=O)c2ccccc2F)c1C(N)=O ZINC000002796221 169831941 /nfs/dbraw/zinc/83/19/41/169831941.db2.gz WNRUUTUTYLBWFY-UHFFFAOYSA-N 0 0 276.271 1.393 50 0 CDAARN COCCCNC(=O)c1cccc(OC)c1OC ZINC000002845972 169836902 /nfs/dbraw/zinc/83/69/02/169836902.db2.gz YBSNPDVEOBHBDC-UHFFFAOYSA-N 0 0 253.298 1.470 50 0 CDAARN CSc1ncccc1C(=O)O[C@H]1CCOC1=O ZINC000003295295 169875951 /nfs/dbraw/zinc/87/59/51/169875951.db2.gz GMPRTZZVJCZYFG-QMMMGPOBSA-N 0 0 253.279 1.276 50 0 CDAARN O=C(COC(=O)c1ccccc1Cl)NC1CC1 ZINC000003507346 169892746 /nfs/dbraw/zinc/89/27/46/169892746.db2.gz QJZOAOHNNZYGMU-UHFFFAOYSA-N 0 0 253.685 1.775 50 0 CDAARN COCCn1c(SC)nc2c(c1=O)S[C@@H](C)C2 ZINC000004108092 169932768 /nfs/dbraw/zinc/93/27/68/169932768.db2.gz XZKQETSUYCUKQJ-ZETCQYMHSA-N 0 0 272.395 1.648 50 0 CDAARN CN(C(=O)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000004504647 169974534 /nfs/dbraw/zinc/97/45/34/169974534.db2.gz UMBUQHKIIDJWBV-QMMMGPOBSA-N 0 0 289.303 1.224 50 0 CDAARN COC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000004548756 169982131 /nfs/dbraw/zinc/98/21/31/169982131.db2.gz SCQDGRFAWXDYPY-QMMMGPOBSA-N 0 0 292.257 1.018 50 0 CDAARN COc1ccc(CCNC(=O)N2CCOCC2)cc1 ZINC000004558997 169983924 /nfs/dbraw/zinc/98/39/24/169983924.db2.gz HQBSRPLRFYYXFN-UHFFFAOYSA-N 0 0 264.325 1.280 50 0 CDAARN CCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O ZINC000004649196 169993050 /nfs/dbraw/zinc/99/30/50/169993050.db2.gz UKPCVCIFPKPYNQ-UHFFFAOYSA-N 0 0 298.298 1.826 50 0 CDAARN Fc1cc(F)cc(NC(=S)N2CCOCC2)c1 ZINC000004741399 170009147 /nfs/dbraw/zinc/00/91/47/170009147.db2.gz SIAIOXLJHKXGCF-UHFFFAOYSA-N 0 0 258.293 1.994 50 0 CDAARN COCCCNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000004832410 170026072 /nfs/dbraw/zinc/02/60/72/170026072.db2.gz SNYGAKQMMHXFBX-UHFFFAOYSA-N 0 0 286.331 1.931 50 0 CDAARN CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000004838293 170026939 /nfs/dbraw/zinc/02/69/39/170026939.db2.gz ZYYIVBUZZJJSDG-SNVBAGLBSA-N 0 0 292.360 1.253 50 0 CDAARN Cc1nc(C)n([C@@H](C)CNC(=O)c2cccs2)n1 ZINC000004988321 170049397 /nfs/dbraw/zinc/04/93/97/170049397.db2.gz LAYQHAYDHJEXHC-QMMMGPOBSA-N 0 0 264.354 1.947 50 0 CDAARN COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)C1 ZINC000005022655 170057410 /nfs/dbraw/zinc/05/74/10/170057410.db2.gz SILFVNHARCTMLN-UHFFFAOYSA-N 0 0 291.303 1.888 50 0 CDAARN COC(=O)C[C@H]1Oc2ccc(Cl)cc2NC1=O ZINC000005137537 170070125 /nfs/dbraw/zinc/07/01/25/170070125.db2.gz CNOULAOXZGSIEF-SECBINFHSA-N 0 0 255.657 1.603 50 0 CDAARN COC(=O)[C@H](C)NC(=O)NCCC1=CCCCC1 ZINC000005164013 170072920 /nfs/dbraw/zinc/07/29/20/170072920.db2.gz WJQOGFDSQIYQRU-JTQLQIEISA-N 0 0 254.330 1.738 50 0 CDAARN CC(=O)Nc1ccc(SC[C@H]([NH3+])C(=O)[O-])cc1 ZINC000005197214 170075303 /nfs/dbraw/zinc/07/53/03/170075303.db2.gz ZOZXXYPCOKGXOE-JTQLQIEISA-N 0 0 254.311 1.149 50 0 world CDAARN Cc1csc2nc(CSc3nc(N)n[nH]3)cc(=O)n12 ZINC000005473034 170102819 /nfs/dbraw/zinc/10/28/19/170102819.db2.gz XSVVJDUDHOKSMM-UHFFFAOYSA-N 0 0 294.365 1.057 50 0 CDAARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1F ZINC000005517760 170107276 /nfs/dbraw/zinc/10/72/76/170107276.db2.gz HHORUIQKSLOBQE-LLVKDONJSA-N 0 0 282.246 1.766 50 0 CDAARN CC(=O)Oc1ccc(C(=O)NCc2ccncc2)cc1 ZINC000005632141 170122306 /nfs/dbraw/zinc/12/23/06/170122306.db2.gz XXALPHVBPUIFKO-UHFFFAOYSA-N 0 0 270.288 1.937 50 0 CDAARN c1ccc(OCC2=NN=C(COc3ccccc3)NN2)cc1 ZINC000005684288 170128292 /nfs/dbraw/zinc/12/82/92/170128292.db2.gz PKIKZJZYXDNLCY-UHFFFAOYSA-N 0 0 296.330 1.964 50 0 CDAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nc[nH]n2)c1C ZINC000005736694 170135498 /nfs/dbraw/zinc/13/54/98/170135498.db2.gz ZFAYTBDCGOGKBS-UHFFFAOYSA-N 0 0 278.337 1.927 50 0 CDAARN NC(=O)c1nc(COc2ccc(Cl)cc2Cl)n[nH]1 ZINC000005762754 170138607 /nfs/dbraw/zinc/13/86/07/170138607.db2.gz HZRFDXVYQRQBOD-UHFFFAOYSA-N 0 0 287.106 1.789 50 0 CDAARN O=C1OCC[C@@H]1Sc1nnnn1-c1cccc(F)c1 ZINC000005795360 170141392 /nfs/dbraw/zinc/14/13/92/170141392.db2.gz WMDNBTYOATXZGP-VIFPVBQESA-N 0 0 280.284 1.209 50 0 CDAARN O=C(/C=C/CC(=O)OC[C@@H]1CCCO1)OC[C@H]1CCCO1 ZINC000005867157 170148903 /nfs/dbraw/zinc/14/89/03/170148903.db2.gz JRBHTNLFPJKDBW-NFDXKFONSA-N 0 0 298.335 1.377 50 0 CDAARN CC(C)C(=O)NC1CCC(NC(=O)C(C)C)CC1 ZINC000005905892 170153347 /nfs/dbraw/zinc/15/33/47/170153347.db2.gz HOFSLEMKHWMASP-UHFFFAOYSA-N 0 0 254.374 1.842 50 0 CDAARN COCCNC(=O)COc1cccc2c1OC(C)(C)C2 ZINC000005936202 170158558 /nfs/dbraw/zinc/15/85/58/170158558.db2.gz HNOUMURBMHWZQA-UHFFFAOYSA-N 0 0 279.336 1.542 50 0 CDAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000005957456 170162343 /nfs/dbraw/zinc/16/23/43/170162343.db2.gz WBSSKVMYBZGQKE-UHFFFAOYSA-N 0 0 290.344 1.879 50 0 CDAARN O=C1c2ccccc2S(=O)(=O)N1Cc1ccccn1 ZINC000005983599 170165421 /nfs/dbraw/zinc/16/54/21/170165421.db2.gz GXMKZGGGKPZERI-UHFFFAOYSA-N 0 0 274.301 1.426 50 0 CDAARN NC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000006084479 170174627 /nfs/dbraw/zinc/17/46/27/170174627.db2.gz DXEVFTCYKRMWND-ZDUSSCGKSA-N 0 0 275.352 1.325 50 0 CDAARN Cc1ccc2[nH]c(SCC(=O)NC(N)=O)nc2c1 ZINC000006292134 170188607 /nfs/dbraw/zinc/18/86/07/170188607.db2.gz RRXMWTIRAVYJKI-UHFFFAOYSA-N 0 0 264.310 1.158 50 0 CDAARN CC(C)[C@@H](C)NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000006370702 170195591 /nfs/dbraw/zinc/19/55/91/170195591.db2.gz SZDOXLMDGJCYGM-SNVBAGLBSA-N 0 0 289.335 1.880 50 0 CDAARN O=C(c1cnc2sccn2c1=O)N1CCc2ccccc21 ZINC000006476222 170204497 /nfs/dbraw/zinc/20/44/97/170204497.db2.gz PQHOSADMNRVJMK-UHFFFAOYSA-N 0 0 297.339 1.959 50 0 CDAARN CCc1ccccc1NC(=O)CSc1nc(N)n[nH]1 ZINC000006607041 170218975 /nfs/dbraw/zinc/21/89/75/170218975.db2.gz KZRIQYKXSOESFT-UHFFFAOYSA-N 0 0 277.353 1.680 50 0 CDAARN COC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000006697365 170227111 /nfs/dbraw/zinc/22/71/11/170227111.db2.gz VWBYCVCFXZYYQQ-QMMMGPOBSA-N 0 0 293.772 1.662 50 0 CDAARN CCCNS(=O)(=O)c1ccc(NC(=O)OC)cc1 ZINC000006698649 170227679 /nfs/dbraw/zinc/22/76/79/170227679.db2.gz PWLOXBAINPBGGY-UHFFFAOYSA-N 0 0 272.326 1.553 50 0 CDAARN CCc1cccc(NC(=O)c2nccnc2CO)c1 ZINC000006737298 170236460 /nfs/dbraw/zinc/23/64/60/170236460.db2.gz YZFJVXPJSKLGPH-UHFFFAOYSA-N 0 0 257.293 1.784 50 0 CDAARN CCC[NH+]1CCC(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000006741760 170237769 /nfs/dbraw/zinc/23/77/69/170237769.db2.gz ZNMRQHDNTSWWQS-ZIAGYGMSSA-N 0 0 294.395 1.644 50 0 CDAARN CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000006757679 170241292 /nfs/dbraw/zinc/24/12/92/170241292.db2.gz KAXRMBJZQUBHLA-UHFFFAOYSA-N 0 0 298.408 1.484 50 0 CDAARN CCCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2 ZINC000006785182 170243417 /nfs/dbraw/zinc/24/34/17/170243417.db2.gz KHGMKFRFIWKDGQ-VIFPVBQESA-N 0 0 261.325 1.969 50 0 CDAARN Cn1c2ccc(Nc3ccc4nncn4n3)cc2n(C)c1=O ZINC000006793320 170244426 /nfs/dbraw/zinc/24/44/26/170244426.db2.gz QXILBMSGQNIRCS-UHFFFAOYSA-N 0 0 295.306 1.058 50 0 CDAARN COCCCNC(=O)c1nnc(-c2ccccc2)o1 ZINC000006821940 170246506 /nfs/dbraw/zinc/24/65/06/170246506.db2.gz OOIWWEZGKSXGTD-UHFFFAOYSA-N 0 0 261.281 1.503 50 0 CDAARN Cc1ccc(Cl)c(OCC(=O)N2CCOCC2)c1 ZINC000006844537 170248155 /nfs/dbraw/zinc/24/81/55/170248155.db2.gz ZXCNNQSHUNTILY-UHFFFAOYSA-N 0 0 269.728 1.886 50 0 CDAARN CCCCC(=O)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000006851422 170249176 /nfs/dbraw/zinc/24/91/76/170249176.db2.gz XMVFXJJFDYWVPL-LBPRGKRZSA-N 0 0 299.392 1.986 50 0 CDAARN Cc1cc(O[C@H](C)C(N)=O)nc(-c2ccccc2)n1 ZINC000006922238 170255330 /nfs/dbraw/zinc/25/53/30/170255330.db2.gz RYUMAMVHFSWDGH-SNVBAGLBSA-N 0 0 257.293 1.705 50 0 CDAARN O=C(COC(=O)c1cc[n+]([O-])cc1)NC1CCCCCC1 ZINC000007007478 170261863 /nfs/dbraw/zinc/26/18/63/170261863.db2.gz IJANDPDXHJMOCR-UHFFFAOYSA-N 0 0 292.335 1.316 50 0 CDAARN O=C(CCN1C(=O)CCC1=O)Nc1cccc(Cl)c1 ZINC000007071700 170266488 /nfs/dbraw/zinc/26/64/88/170266488.db2.gz RASOTQJITOYRLO-UHFFFAOYSA-N 0 0 280.711 1.818 50 0 CDAARN COC(=O)C(C(=O)OC)[C@]1(C)CC[C@@H](OC)C1(C)C ZINC000007141074 170268545 /nfs/dbraw/zinc/26/85/45/170268545.db2.gz GBICYKRZPWENOS-OTYXRUKQSA-N 0 0 272.341 1.790 50 0 CDAARN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC1CC1 ZINC000007135441 170268728 /nfs/dbraw/zinc/26/87/28/170268728.db2.gz YUWMWMNXZRBGAD-LLVKDONJSA-N 0 0 266.366 1.781 50 0 CDAARN NC(=O)COC(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000007232446 170272933 /nfs/dbraw/zinc/27/29/33/170272933.db2.gz QTZHAJVGZFQPRA-UHFFFAOYSA-N 0 0 289.331 1.557 50 0 CDAARN C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCNC(=O)C1 ZINC000007420588 170283646 /nfs/dbraw/zinc/28/36/46/170283646.db2.gz KSUAMUASBXZANO-MRVPVSSYSA-N 0 0 299.733 1.238 50 0 CDAARN CCc1ccc(NC(=O)[C@H](C)N2CCNC(=O)C2)cc1 ZINC000007420565 170284110 /nfs/dbraw/zinc/28/41/10/170284110.db2.gz IOVRJRMPGQCPRU-NSHDSACASA-N 0 0 275.352 1.008 50 0 CDAARN CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc(C)on2)C1 ZINC000007436308 170284846 /nfs/dbraw/zinc/28/48/46/170284846.db2.gz FBMKGKGYXWAOON-NSHDSACASA-N 0 0 295.339 1.197 50 0 CDAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1CCCC1 ZINC000007441029 170285071 /nfs/dbraw/zinc/28/50/71/170285071.db2.gz NBGQDPSVZMGKCX-UHFFFAOYSA-N 0 0 291.738 1.672 50 0 CDAARN 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O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC[C@@H](O)C1 ZINC000078972374 177410852 /nfs/dbraw/zinc/41/08/52/177410852.db2.gz ZLNGMSYYAMPHMD-VWYCJHECSA-N 0 0 267.275 1.662 50 0 CDAARN CC[C@H](C)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 ZINC000012934473 287535303 /nfs/dbraw/zinc/53/53/03/287535303.db2.gz RZAFLJZBWNDXSC-GWCFXTLKSA-N 0 0 276.336 1.573 50 0 CDAARN Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003885461 260013600 /nfs/dbraw/zinc/01/36/00/260013600.db2.gz OXDMSVNDLGEMFK-UHFFFAOYSA-N 0 0 254.355 1.834 50 0 CDAARN CCCC(=O)NC[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000084739880 260367766 /nfs/dbraw/zinc/36/77/66/260367766.db2.gz UYYRUDUPGHVJLR-LBPRGKRZSA-N 0 0 254.374 1.797 50 0 CDAARN Cc1cc(N)nc(SCC(=O)NCc2ccco2)n1 ZINC000007047899 261376729 /nfs/dbraw/zinc/37/67/29/261376729.db2.gz GKQODVYVLPIEMG-UHFFFAOYSA-N 0 0 278.337 1.369 50 0 CDAARN COC(=O)c1cccc(CNC(=O)[C@@H](O)c2ccccc2)c1 ZINC000121334235 424499759 /nfs/dbraw/zinc/49/97/59/424499759.db2.gz GBRBHNRHPBAUJU-HNNXBMFYSA-N 0 0 299.326 1.823 50 0 CDAARN 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CC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000067629761 277092158 /nfs/dbraw/zinc/09/21/58/277092158.db2.gz SFUPJOMAHGIXGE-UHFFFAOYSA-N 0 0 263.326 1.765 50 0 CDAARN CC(=O)c1c(OCC(N)=O)ccc2c(C)cc(=O)oc21 ZINC000000485520 277102802 /nfs/dbraw/zinc/10/28/02/277102802.db2.gz RTNFLLNVDSUFLF-UHFFFAOYSA-N 0 0 275.260 1.168 50 0 biogenic CDAARN COC(=O)[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 ZINC000045958465 277343558 /nfs/dbraw/zinc/34/35/58/277343558.db2.gz PYSRDTBMFMMSDN-MRVPVSSYSA-N 0 0 276.317 1.822 50 0 CDAARN COc1ccc(-c2cc(OC)nc(OC)n2)c(OC)n1 ZINC000426666984 277396505 /nfs/dbraw/zinc/39/65/05/277396505.db2.gz LFYOBMPFACRNPK-UHFFFAOYSA-N 0 0 277.280 1.573 50 0 CDAARN CC(C)c1cc(C(=O)N2[C@@H]3CC[C@H]2CN(C)C(=O)C3)[nH]n1 ZINC000067674437 278013469 /nfs/dbraw/zinc/01/34/69/278013469.db2.gz NLOSTWJDIAGUJT-MNOVXSKESA-N 0 0 290.367 1.368 50 0 CDAARN C[C@@H]1CN(C(=O)[C@H]2CSC(=O)N2)c2ccccc21 ZINC000072963647 288004478 /nfs/dbraw/zinc/00/44/78/288004478.db2.gz HRYJARXMXAZXLI-PSASIEDQSA-N 0 0 262.334 1.962 50 0 CDAARN COc1nc2ccccc2nc1N1CCN(C)CC1 ZINC000006758952 278086740 /nfs/dbraw/zinc/08/67/40/278086740.db2.gz QETCEBAPJZFLHN-UHFFFAOYSA-N 0 0 258.325 1.390 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(C[C@H](CO)O2)CC1 ZINC000059979497 278384701 /nfs/dbraw/zinc/38/47/01/278384701.db2.gz QSWYTYUGBNTUEW-SNVBAGLBSA-N 0 0 257.330 1.537 50 0 CDAARN Cn1ccc(C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000002746983 279360641 /nfs/dbraw/zinc/36/06/41/279360641.db2.gz ZECFPGIWQUBGSO-UHFFFAOYSA-N 0 0 259.265 1.444 50 0 CDAARN Cn1nc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1=O ZINC000003423417 279396537 /nfs/dbraw/zinc/39/65/37/279396537.db2.gz BYKBLBZKLNDXPY-CYBMUJFWSA-N 0 0 283.331 1.588 50 0 CDAARN O=C(Cn1cccc1)Nc1nc2c(s1)C(=O)NCCC2 ZINC000096124397 279802549 /nfs/dbraw/zinc/80/25/49/279802549.db2.gz AZPAURIIJOTYON-UHFFFAOYSA-N 0 0 290.348 1.259 50 0 CDAARN CCO[C@H]1C[C@](CO)(NC(=O)c2occc2C)C1(C)C ZINC000188835995 279939180 /nfs/dbraw/zinc/93/91/80/279939180.db2.gz HJUZBQCEVLBUMZ-XHDPSFHLSA-N 0 0 281.352 1.884 50 0 CDAARN CC[C@@H](C)NC(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000057511445 280111686 /nfs/dbraw/zinc/11/16/86/280111686.db2.gz BUJUCIJSOUZDGX-SECBINFHSA-N 0 0 262.288 1.935 50 0 CDAARN O=C([C@H]1CCOc2ccccc2C1)N1CCc2n[nH]cc2C1 ZINC000095522450 280139394 /nfs/dbraw/zinc/13/93/94/280139394.db2.gz MQOXTPXMJSHBQS-ZDUSSCGKSA-N 0 0 297.358 1.936 50 0 CDAARN CN1CCO[C@H](C(=O)N2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000245444660 280209127 /nfs/dbraw/zinc/20/91/27/280209127.db2.gz YGMJGFKOCNRMRR-AVGNSLFASA-N 0 0 252.358 1.108 50 0 CDAARN CN1CCO[C@H](C(=O)N2CCC[C@H]3CCC[C@H]32)C1 ZINC000245444662 280209444 /nfs/dbraw/zinc/20/94/44/280209444.db2.gz YGMJGFKOCNRMRR-UPJWGTAASA-N 0 0 252.358 1.108 50 0 CDAARN Cc1cc(-c2nn3c(nnc3-c3cnccn3)s2)on1 ZINC000095478061 280288150 /nfs/dbraw/zinc/28/81/50/280288150.db2.gz FCTCUFWZSFMYOB-UHFFFAOYSA-N 0 0 285.292 1.606 50 0 CDAARN O=C1[C@@H](N2CCc3cncnc3C2)CCN1c1ccccc1 ZINC000095394347 280314917 /nfs/dbraw/zinc/31/49/17/280314917.db2.gz BLBMKSCAAQJOTM-INIZCTEOSA-N 0 0 294.358 1.640 50 0 CDAARN O=c1/c(=C/c2cccc(Cl)c2)sc2ncnn12 ZINC000016732953 280384584 /nfs/dbraw/zinc/38/45/84/280384584.db2.gz VDEZRJXGGACBRI-UITAMQMPSA-N 0 0 263.709 1.352 50 0 CDAARN Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1 ZINC000001721693 280452325 /nfs/dbraw/zinc/45/23/25/280452325.db2.gz RSYUFYQTACJFML-DZGCQCFKSA-N 0 0 274.272 1.841 50 0 endogenous,in-man CDAARN CC(C)c1ccccc1S(=O)(=O)N1CCNC[C@@H]1C ZINC000193247310 280645660 /nfs/dbraw/zinc/64/56/60/280645660.db2.gz FVCWASJEHLWMNE-LBPRGKRZSA-N 0 0 282.409 1.792 50 0 CDAARN CC[C@H](c1nnc2n1CCCCC2)n1cc(N)cn1 ZINC000035655676 281029481 /nfs/dbraw/zinc/02/94/81/281029481.db2.gz OUPZKERTYMBJLK-LLVKDONJSA-N 0 0 260.345 1.783 50 0 CDAARN CCn1c(=O)c2cc3c([nH]c-2nc1=S)CC(C)(C)OC3 ZINC000101177650 281605941 /nfs/dbraw/zinc/60/59/41/281605941.db2.gz UBRDCOSECPUDFC-UHFFFAOYSA-N 0 0 291.376 1.951 50 0 CDAARN CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2O ZINC000019322916 281613754 /nfs/dbraw/zinc/61/37/54/281613754.db2.gz WXNUNWXFURQWFF-UHFFFAOYSA-N 0 0 258.365 1.704 50 0 biogenic CDAARN C[C@@]1(c2ccc(Br)cc2)CC(=O)NC1=O ZINC000036929037 289214207 /nfs/dbraw/zinc/21/42/07/289214207.db2.gz CWULAGWRHCWUDL-NSHDSACASA-N 0 0 268.110 1.753 50 0 CDAARN C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000034118526 289218444 /nfs/dbraw/zinc/21/84/44/289218444.db2.gz JXNRULRHASYXOD-ZAZJYDDPSA-N 0 0 255.273 1.520 50 0 CDAARN C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H](C)c1ccco1 ZINC000095944926 290136310 /nfs/dbraw/zinc/13/63/10/290136310.db2.gz WTQBDZABKIKCAW-SDDRHHMPSA-N 0 0 282.340 1.522 50 0 CDAARN C[C@H]1CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1 ZINC000013634464 290326455 /nfs/dbraw/zinc/32/64/55/290326455.db2.gz ZWLQTDQYLPSLKI-RXMQYKEDSA-N 0 0 270.214 1.908 50 0 CDAARN Cc1nnc(NC(=O)c2cc3n(n2)CCCO3)s1 ZINC000090626707 293857106 /nfs/dbraw/zinc/85/71/06/293857106.db2.gz FHOCOUHBJIRWGS-UHFFFAOYSA-N 0 0 265.298 1.078 50 0 CDAARN Clc1ncnc(N2CCOCC2)c1Br ZINC000230530509 294127072 /nfs/dbraw/zinc/12/70/72/294127072.db2.gz NANDFJROGIOVKU-UHFFFAOYSA-N 0 0 278.537 1.729 50 0 CDAARN N=C1NC(c2ccccc2)=N[C@@]12COC(c1ccccc1)=N2 ZINC000027562630 295209970 /nfs/dbraw/zinc/20/99/70/295209970.db2.gz VQUACADIQBXEGF-QGZVFWFLSA-N 0 0 290.326 1.977 50 0 CDAARN COc1ccc([C@@H]2CC(C)=Nc3nc(N)nn32)cc1 ZINC000100707258 295217878 /nfs/dbraw/zinc/21/78/78/295217878.db2.gz NVGCQBAYJVFITM-NSHDSACASA-N 0 0 257.297 1.788 50 0 CDAARN COc1ccc([C@@H]2NC(=O)N[C@H]3OCCC[C@@H]23)cc1 ZINC000012370952 295227825 /nfs/dbraw/zinc/22/78/25/295227825.db2.gz WEBPGPSNQIQDEB-AVGNSLFASA-N 0 0 262.309 1.802 50 0 CDAARN COc1nc2c(cc1C(=O)N1CCSCC1)CCC2 ZINC000092064749 295454254 /nfs/dbraw/zinc/45/42/54/295454254.db2.gz LSDCKGDEKVSVID-UHFFFAOYSA-N 0 0 278.377 1.768 50 0 CDAARN Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000408514391 301031440 /nfs/dbraw/zinc/03/14/40/301031440.db2.gz MRSMXLDXIJKQGV-JBLDHEPKSA-N 0 0 261.325 1.049 50 0 CDAARN Cc1cc(N)n(CC(=O)N2CCCC[C@H]2c2ccccn2)n1 ZINC000216361754 301330803 /nfs/dbraw/zinc/33/08/03/301330803.db2.gz NWNLBTSNONHEJJ-AWEZNQCLSA-N 0 0 299.378 1.923 50 0 CDAARN Cc1[nH]nc2c1[C@H](c1ccc(O)cc1O)C1C(=O)OCC1=N2 ZINC000020086561 302532405 /nfs/dbraw/zinc/53/24/05/302532405.db2.gz OOMCCFYGFYEPTB-LBPRGKRZSA-N 0 0 299.286 1.498 50 0 CDAARN Cc1nc([C@H]2CCCCCN2C(=O)N2CCOCC2)no1 ZINC000096000595 302636529 /nfs/dbraw/zinc/63/65/29/302636529.db2.gz GFZWYUINANGELG-GFCCVEGCSA-N 0 0 294.355 1.747 50 0 CDAARN O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 ZINC000004668759 303724186 /nfs/dbraw/zinc/72/41/86/303724186.db2.gz WEPAZGWIRVKGFZ-MFORYBBRSA-N 0 0 297.420 1.506 50 0 CDAARN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2nc3ccccc3o2)C1 ZINC000575769166 317012232 /nfs/dbraw/zinc/01/22/32/317012232.db2.gz JXEORBKAZNCFRD-PWSUYJOCSA-N 0 0 299.334 1.908 50 0 CDAARN COCc1noc(CNC(=O)N2CCCCCCC2)n1 ZINC000534574407 328309514 /nfs/dbraw/zinc/30/95/14/328309514.db2.gz INCZZNITKYMVDY-UHFFFAOYSA-N 0 0 282.344 1.692 50 0 CDAARN CC1(C(=O)NC2CCN(C(=O)C3CCCC3)CC2)COC1 ZINC000534586306 328315638 /nfs/dbraw/zinc/31/56/38/328315638.db2.gz WIYIBKIXLXCHPH-UHFFFAOYSA-N 0 0 294.395 1.320 50 0 CDAARN COCC1(CNC(=O)c2cc(O)cc(C(=O)OC)c2)CC1 ZINC000534587388 328316159 /nfs/dbraw/zinc/31/61/59/328316159.db2.gz PYNSDJWQNCBXJA-UHFFFAOYSA-N 0 0 293.319 1.335 50 0 CDAARN NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)Cc1cccs1 ZINC000534642719 328329030 /nfs/dbraw/zinc/32/90/30/328329030.db2.gz UEKPREJZCHVSNS-GHMZBOCLSA-N 0 0 264.350 1.227 50 0 CDAARN Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H](C)c1nc(C2CC2)no1 ZINC000534643489 328329477 /nfs/dbraw/zinc/32/94/77/328329477.db2.gz CAHATCGDFMCMSZ-ZETCQYMHSA-N 0 0 291.311 1.104 50 0 CDAARN O=C([O-])c1cccc(CN2CC([NH+]3CCCCC3)C2)n1 ZINC000534645975 328331985 /nfs/dbraw/zinc/33/19/85/328331985.db2.gz FTVRORNZYCQTGR-UHFFFAOYSA-N 0 0 275.352 1.450 50 0 CDAARN O=C(CCN1CCCCC1=O)NCCCOC1CCCC1 ZINC000534637706 328334657 /nfs/dbraw/zinc/33/46/57/328334657.db2.gz KTGOPWOVGDZAGB-UHFFFAOYSA-N 0 0 296.411 1.855 50 0 CDAARN COCC1(CNC(=O)N2CC(n3nc(C)cc3C)C2)CC1 ZINC000534639524 328335573 /nfs/dbraw/zinc/33/55/73/328335573.db2.gz GAKBDTNXDJOAGE-UHFFFAOYSA-N 0 0 292.383 1.493 50 0 CDAARN Cc1cccnc1[C@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC000534640140 328335759 /nfs/dbraw/zinc/33/57/59/328335759.db2.gz HIRSONQJMLUZAU-MRXNPFEDSA-N 0 0 287.363 1.580 50 0 CDAARN CC[C@H](NC(=O)c1ccc2nnnn2c1)c1cc(C)ccn1 ZINC000534641526 328336351 /nfs/dbraw/zinc/33/63/51/328336351.db2.gz WSVIQCSQVCDXBI-LBPRGKRZSA-N 0 0 296.334 1.709 50 0 CDAARN CC(C)C[C@H]1CC[N@H+](Cc2cnc(NCC(=O)[O-])nc2)C1 ZINC000534650478 328336892 /nfs/dbraw/zinc/33/68/92/328336892.db2.gz BZSOJJSNNQEXGO-GFCCVEGCSA-N 0 0 292.383 1.841 50 0 CDAARN Cc1ocnc1C(=O)N[C@@H](c1nccn1C)C(C)C ZINC000534647312 328342728 /nfs/dbraw/zinc/34/27/28/328342728.db2.gz MNSBAUGSHWHVGY-SNVBAGLBSA-N 0 0 262.313 1.844 50 0 CDAARN CC1(C)C[C@@H](C(=O)NCCc2ncc[nH]2)CCO1 ZINC000534667772 328346122 /nfs/dbraw/zinc/34/61/22/328346122.db2.gz SMVGPTHZMURZOU-JTQLQIEISA-N 0 0 251.330 1.274 50 0 CDAARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C[C@H](O)C(F)(F)F ZINC000097373615 323207859 /nfs/dbraw/zinc/20/78/59/323207859.db2.gz KEYQXOIETYMYKI-NAKRPEOUSA-N 0 0 295.301 1.716 50 0 CDAARN CCc1nnc2ccc(N3CCC(C)(CO)CC3)nn21 ZINC000184151258 323356664 /nfs/dbraw/zinc/35/66/64/323356664.db2.gz ARLCAKMJKVYUEV-UHFFFAOYSA-N 0 0 275.356 1.286 50 0 CDAARN COCC[C@H](C)NC(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000252486602 323575282 /nfs/dbraw/zinc/57/52/82/323575282.db2.gz MGVGRQCHLAPZRH-YNEHKIRRSA-N 0 0 272.389 1.604 50 0 CDAARN COc1ccc(S(=O)(=O)NCc2ccno2)cc1F ZINC000390833417 323819989 /nfs/dbraw/zinc/81/99/89/323819989.db2.gz HFTZMTURBXGEIR-UHFFFAOYSA-N 0 0 286.284 1.301 50 0 CDAARN CC[C@H](C)n1ncc(NC(=O)N2CCNC(=O)[C@@H]2C)c1C ZINC000390834222 323819953 /nfs/dbraw/zinc/81/99/53/323819953.db2.gz UVFVZRYTJBCRPU-ONGXEEELSA-N 0 0 293.371 1.515 50 0 CDAARN CCC(=O)NC(=S)Nc1ccc(N(C)C)cc1 ZINC000000341988 326791513 /nfs/dbraw/zinc/79/15/13/326791513.db2.gz ZSRGGTRXLNHVSK-UHFFFAOYSA-N 0 0 251.355 1.976 50 0 CDAARN CCNS(=O)(=O)c1cccc(Br)c1 ZINC000004369205 326811460 /nfs/dbraw/zinc/81/14/60/326811460.db2.gz MADIDEQQKAOBFI-UHFFFAOYSA-N 0 0 264.144 1.747 50 0 CDAARN CCCNC(=O)[C@H](C)Sc1nc(CCC)cc(=O)[nH]1 ZINC000015805378 326848456 /nfs/dbraw/zinc/84/84/56/326848456.db2.gz BNPKMCCGITYDAG-VIFPVBQESA-N 0 0 283.397 1.729 50 0 CDAARN COCc1nc2nccc(-c3ccc(OC)cc3)n2n1 ZINC000072439993 327110866 /nfs/dbraw/zinc/11/08/66/327110866.db2.gz GELRSHAJVPAMSC-UHFFFAOYSA-N 0 0 270.292 1.946 50 0 CDAARN CC(C)[C@H](O)CCNS(=O)(=O)c1cc(F)ccc1F ZINC000089791266 327173286 /nfs/dbraw/zinc/17/32/86/327173286.db2.gz VBJJCTCYAJLDCW-LLVKDONJSA-N 0 0 293.335 1.650 50 0 CDAARN CCOC(=O)c1cn2c(n1)C(=O)N[C@@H](c1ccccc1)C2 ZINC000263617526 330060492 /nfs/dbraw/zinc/06/04/92/330060492.db2.gz OGFFVFGGIXHFCX-LLVKDONJSA-N 0 0 285.303 1.545 50 0 CDAARN CNc1nc(N[C@H]2CCC[C@H]2O)ncc1Br ZINC000195575382 331178687 /nfs/dbraw/zinc/17/86/87/331178687.db2.gz QIYZTDXEEGFJKN-JGVFFNPUSA-N 0 0 287.161 1.606 50 0 CDAARN Cc1ncc(Cl)c(N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC001772708932 1159442395 /nfs/dbraw/zinc/44/23/95/1159442395.db2.gz FGRWIZCKGFPTJG-QMMMGPOBSA-N 0 0 268.704 1.079 50 0 CDAARN Cc1nccn1CCNC(=O)c1scc2c1OCCO2 ZINC000019883498 482289041 /nfs/dbraw/zinc/28/90/41/482289041.db2.gz UICFLMVFIMNTRB-UHFFFAOYSA-N 0 0 293.348 1.454 50 0 CDAARN CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cn2cccn2)cc1 ZINC000024805037 482316789 /nfs/dbraw/zinc/31/67/89/482316789.db2.gz GXNHKKTUWQHBNK-NSHDSACASA-N 0 0 286.335 1.660 50 0 CDAARN COCC[N@@H+]1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072143801 482451430 /nfs/dbraw/zinc/45/14/30/482451430.db2.gz PCXZFOZMCIKOGM-ZDUSSCGKSA-N 0 0 263.337 1.896 50 0 CDAARN COCCOc1cccc(C(=O)N(C)[C@@H](C)CCO)c1 ZINC000585090573 482823205 /nfs/dbraw/zinc/82/32/05/482823205.db2.gz PDTDBLIBLGLPHT-LBPRGKRZSA-N 0 0 281.352 1.555 50 0 CDAARN C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000585090313 482824071 /nfs/dbraw/zinc/82/40/71/482824071.db2.gz YGNOOXTXDUUMEF-GXFFZTMASA-N 0 0 276.336 1.503 50 0 CDAARN CC[C@@H]1C(=O)NCCN1Cc1cnc2ccccc2n1 ZINC000585094175 482828678 /nfs/dbraw/zinc/82/86/78/482828678.db2.gz MSEWMBUHGZFZRO-CQSZACIVSA-N 0 0 270.336 1.340 50 0 CDAARN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000380065724 482829198 /nfs/dbraw/zinc/82/91/98/482829198.db2.gz GRDNMFZNQPDBHA-CQSZACIVSA-N 0 0 297.376 1.529 50 0 CDAARN CCCCOc1ncccc1CNC(=O)[C@H]1CCNC1=O ZINC000585101694 482829663 /nfs/dbraw/zinc/82/96/63/482829663.db2.gz ZEZSCVCCFYXYRH-LBPRGKRZSA-N 0 0 291.351 1.013 50 0 CDAARN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000380065722 482829723 /nfs/dbraw/zinc/82/97/23/482829723.db2.gz GRDNMFZNQPDBHA-AWEZNQCLSA-N 0 0 297.376 1.529 50 0 CDAARN CN(C[C@@H]1CCCO1)S(=O)(=O)CCOc1ccccc1 ZINC000670433732 482968611 /nfs/dbraw/zinc/96/86/11/482968611.db2.gz DYLYXCCGMHORHK-AWEZNQCLSA-N 0 0 299.392 1.506 50 0 CDAARN Cc1nc(CC(=O)N2CCc3nocc3C2)cs1 ZINC000670439712 482984203 /nfs/dbraw/zinc/98/42/03/482984203.db2.gz JEYZKJDLGZHIRC-UHFFFAOYSA-N 0 0 263.322 1.567 50 0 CDAARN CN(CC1(C)COC1)S(=O)(=O)CCOc1ccccc1 ZINC000670447527 482999555 /nfs/dbraw/zinc/99/95/55/482999555.db2.gz QRQUTPGQHSVVDU-UHFFFAOYSA-N 0 0 299.392 1.364 50 0 CDAARN Cc1nc(-c2csc(C)n2)n(CC(C)(C)O)n1 ZINC000670449225 483007398 /nfs/dbraw/zinc/00/73/98/483007398.db2.gz HWDQJBAKVQHPRF-UHFFFAOYSA-N 0 0 252.343 1.789 50 0 CDAARN c1coc(-c2noc(CN3CCc4nocc4C3)n2)c1 ZINC000670452495 483021392 /nfs/dbraw/zinc/02/13/92/483021392.db2.gz GLGJICODNRSOMB-UHFFFAOYSA-N 0 0 272.264 1.876 50 0 CDAARN Cc1[nH]nc(C(=O)NCc2noc(C3CC3)n2)c1Cl ZINC000670456472 483034607 /nfs/dbraw/zinc/03/46/07/483034607.db2.gz FPJIAYIARMZOOZ-UHFFFAOYSA-N 0 0 281.703 1.562 50 0 CDAARN Cc1cccc(C[C@H](C)Nc2nnnn2-c2ccccc2)n1 ZINC000670460730 483046259 /nfs/dbraw/zinc/04/62/59/483046259.db2.gz UVZIQOVEPKIDPF-ZDUSSCGKSA-N 0 0 294.362 1.831 50 0 CDAARN CCCc1cnc(C)nc1NCCc1nc(N)cc(=O)[nH]1 ZINC000670471458 483075644 /nfs/dbraw/zinc/07/56/44/483075644.db2.gz SFUUHJNOHAFJSJ-UHFFFAOYSA-N 0 0 288.355 1.470 50 0 CDAARN COc1ccc2c(c1)OC[C@@H](C(=O)OC[C@@H]1CCCO1)C2 ZINC000083970121 483230799 /nfs/dbraw/zinc/23/07/99/483230799.db2.gz DGKXGXMDYVEPCM-JSGCOSHPSA-N 0 0 292.331 1.969 50 0 CDAARN O=C(c1cnns1)N1CCC[C@H]1c1noc(C2CC2)n1 ZINC000084338742 483272786 /nfs/dbraw/zinc/27/27/86/483272786.db2.gz WMSXEKULEOFINW-QMMMGPOBSA-N 0 0 291.336 1.776 50 0 CDAARN O=C(NC[C@]1(CCO)CCOC1)[C@@H]1C[C@H]1c1ccco1 ZINC000084432159 483277302 /nfs/dbraw/zinc/27/73/02/483277302.db2.gz OXOUPKYCMGBLAG-JMSVASOKSA-N 0 0 279.336 1.288 50 0 CDAARN Cc1c[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)n1 ZINC000222857975 533981664 /nfs/dbraw/zinc/98/16/64/533981664.db2.gz PNZYYSYFUJYXNI-CHWSQXEVSA-N 0 0 293.367 1.422 50 0 CDAARN COC(=O)c1ccccc1NC(=O)Cn1nc(C)cc1C ZINC000014016780 534292817 /nfs/dbraw/zinc/29/28/17/534292817.db2.gz QSTJAQMDVFFJKM-UHFFFAOYSA-N 0 0 287.319 1.925 50 0 CDAARN CC(C)[C@@H](NC(=O)[C@H](C)O[C@H]1CCC[C@@H](C)C1)C(N)=O ZINC000248151258 519798003 /nfs/dbraw/zinc/79/80/03/519798003.db2.gz HDHSKYCMJBULBJ-MROQNXINSA-N 0 0 284.400 1.596 50 0 CDAARN Cc1nonc1NC(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000096443118 534497295 /nfs/dbraw/zinc/49/72/95/534497295.db2.gz QKNRNRFSXBRQCW-SECBINFHSA-N 0 0 299.294 1.231 50 0 CDAARN Cc1nc(S(=O)(=O)N2CCCCCCC2)cn1C ZINC000098009341 534514226 /nfs/dbraw/zinc/51/42/26/534514226.db2.gz JGVXLIKDVOCNKC-UHFFFAOYSA-N 0 0 271.386 1.683 50 0 CDAARN COc1ncccc1C(=O)N[C@H](CO)C(C)(C)C ZINC000183644820 525041623 /nfs/dbraw/zinc/04/16/23/525041623.db2.gz DCVAUXZUVNIDBX-SNVBAGLBSA-N 0 0 252.314 1.227 50 0 CDAARN Cc1c(C(=O)N2CCOCC2)cnn1-c1ccc(C)cc1 ZINC000006870311 525584287 /nfs/dbraw/zinc/58/42/87/525584287.db2.gz QVERSPVNLQCPFP-UHFFFAOYSA-N 0 0 285.347 1.962 50 0 CDAARN C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)N1CCOCC1 ZINC000055422278 525711969 /nfs/dbraw/zinc/71/19/69/525711969.db2.gz CYMYUDZRTCCEQI-GFCCVEGCSA-N 0 0 274.364 1.835 50 0 CDAARN CCC1(CNC(=O)N[C@@H](C)CS(C)(=O)=O)CCCC1 ZINC000096473505 527726409 /nfs/dbraw/zinc/72/64/09/527726409.db2.gz SKPQFZBAYQLRLK-NSHDSACASA-N 0 0 290.429 1.689 50 0 CDAARN CCOC(=O)CSc1nc(=O)n2cccc(C)c2n1 ZINC000003134600 528853244 /nfs/dbraw/zinc/85/32/44/528853244.db2.gz DYCJUGPFNQVBQW-UHFFFAOYSA-N 0 0 279.321 1.053 50 0 CDAARN 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BIZPODKYIXENDL-JTQLQIEISA-N 0 0 272.283 1.993 50 0 CDAARN CC[C@H](O)CNc1nncc(-c2cccc(F)c2)n1 ZINC000011813529 356280125 /nfs/dbraw/zinc/28/01/25/356280125.db2.gz GIXGAOZODQWUBI-NSHDSACASA-N 0 0 262.288 1.861 50 0 CDAARN CCOCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000009668868 356243536 /nfs/dbraw/zinc/24/35/36/356243536.db2.gz PIPHLSVVCDFOFO-UHFFFAOYSA-N 0 0 280.343 1.901 50 0 CDAARN CC(=O)c1ccc(N2CCN([C@H]3CCOC3=O)CC2)cc1 ZINC000012807047 356325143 /nfs/dbraw/zinc/32/51/43/356325143.db2.gz SDSQRPYUPNTZRQ-HNNXBMFYSA-N 0 0 288.347 1.327 50 0 CDAARN Cc1ccnc(NC(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000012321832 356292886 /nfs/dbraw/zinc/29/28/86/356292886.db2.gz GIZMZZBIJBWNKY-UHFFFAOYSA-N 0 0 280.291 1.618 50 0 CDAARN Cn1ccc(NC(=O)c2cccc3nsnc32)n1 ZINC000012340985 356293913 /nfs/dbraw/zinc/29/39/13/356293913.db2.gz TVBUUKPORDCUAG-UHFFFAOYSA-N 0 0 259.294 1.677 50 0 CDAARN C[C@@H](Oc1ccc(F)cc1F)C(=O)N1CCN(C)CC1 ZINC000012380400 356296310 /nfs/dbraw/zinc/29/63/10/356296310.db2.gz IRECDOYRHMAXGP-SNVBAGLBSA-N 0 0 284.306 1.506 50 0 CDAARN CSCCNC(=O)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012455228 356301055 /nfs/dbraw/zinc/30/10/55/356301055.db2.gz USETUKODNTVBRK-NSHDSACASA-N 0 0 284.425 1.647 50 0 CDAARN CCCNC(=O)[C@@H](C)Cn1cc(Br)cn1 ZINC000032611161 356312895 /nfs/dbraw/zinc/31/28/95/356312895.db2.gz DUNSORRQNPBOHF-QMMMGPOBSA-N 0 0 274.162 1.808 50 0 CDAARN COc1ccc(NC(=O)CCn2cncn2)c(OC)c1 ZINC000012984314 356334668 /nfs/dbraw/zinc/33/46/68/356334668.db2.gz GYFMFTIFRJVIQH-UHFFFAOYSA-N 0 0 276.296 1.324 50 0 CDAARN CSc1nnc(C)c(=O)n1COC(=O)c1ccccc1 ZINC000004495772 356367563 /nfs/dbraw/zinc/36/75/63/356367563.db2.gz UXPKJAXARAQJSE-UHFFFAOYSA-N 0 0 291.332 1.483 50 0 CDAARN O=C([C@H]1CC(c2ccccc2O)=NO1)N1CCCCC1 ZINC000013111070 356337458 /nfs/dbraw/zinc/33/74/58/356337458.db2.gz FARORCXNRQIVPO-CQSZACIVSA-N 0 0 274.320 1.898 50 0 CDAARN CC[C@@H](OC(=O)c1cccc(C(=O)OC)c1)C(=O)OC ZINC000095360817 356368256 /nfs/dbraw/zinc/36/82/56/356368256.db2.gz WSZHJZQWQYCSGW-LLVKDONJSA-N 0 0 280.276 1.582 50 0 CDAARN CCCCCCn1c(NC)nc2c1c(=O)[nH]c(=O)n2C ZINC000013510701 356347970 /nfs/dbraw/zinc/34/79/70/356347970.db2.gz NNPPSBCLAMCDRN-UHFFFAOYSA-N 0 0 279.344 1.045 50 0 CDAARN NC(=O)CSCCC(=O)N1CCc2ccccc21 ZINC000032772255 356366150 /nfs/dbraw/zinc/36/61/50/356366150.db2.gz UTKWOMBQSLDZAA-UHFFFAOYSA-N 0 0 264.350 1.184 50 0 CDAARN Cc1ccc(C(=O)NCC(=O)NCc2ccncc2)cc1C ZINC000014077625 356372889 /nfs/dbraw/zinc/37/28/89/356372889.db2.gz QECMANHFBMXCLP-UHFFFAOYSA-N 0 0 297.358 1.745 50 0 CDAARN NC(=O)c1cccc(NC(=O)CC[C@@H]2CCCO2)c1 ZINC000032816186 356379210 /nfs/dbraw/zinc/37/92/10/356379210.db2.gz CTXCZCOPTAAEFB-LBPRGKRZSA-N 0 0 262.309 1.683 50 0 CDAARN O=C(NCc1ccccc1Cl)c1ccc(=O)[nH]c1 ZINC000014201401 356379799 /nfs/dbraw/zinc/37/97/99/356379799.db2.gz HOKHXKXPQSPWGN-UHFFFAOYSA-N 0 0 262.696 1.958 50 0 CDAARN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc(=O)[nH]c1 ZINC000032824352 356382291 /nfs/dbraw/zinc/38/22/91/356382291.db2.gz VQXQSVWNSGTTMJ-CYBMUJFWSA-N 0 0 297.358 1.631 50 0 CDAARN COc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1 ZINC000014557779 356391490 /nfs/dbraw/zinc/39/14/90/356391490.db2.gz UTXDCJHDBJXLMP-UHFFFAOYSA-N 0 0 284.315 1.975 50 0 CDAARN CCONC(=O)CCNC(=O)c1cccc(C)c1 ZINC000032848284 356393488 /nfs/dbraw/zinc/39/34/88/356393488.db2.gz YTMHZCNJFLRDOP-UHFFFAOYSA-N 0 0 250.298 1.183 50 0 CDAARN O=C(NCCNC(=O)c1ccccc1)c1ccco1 ZINC000004498061 356369741 /nfs/dbraw/zinc/36/97/41/356369741.db2.gz LNAQTVWMBFOOSE-UHFFFAOYSA-N 0 0 258.277 1.439 50 0 CDAARN COCCNC(=O)CCNC(=O)c1ccccc1Cl ZINC000014048923 356371490 /nfs/dbraw/zinc/37/14/90/356371490.db2.gz RWISINIMZVFHEP-UHFFFAOYSA-N 0 0 284.743 1.223 50 0 CDAARN C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCC(O)CC1 ZINC000015306918 356412021 /nfs/dbraw/zinc/41/20/21/356412021.db2.gz OPEVIRXXABPMRI-OLZOCXBDSA-N 0 0 288.391 1.809 50 0 CDAARN COC(=O)c1sccc1S(=O)(=O)NC1CCCC1 ZINC000015423652 356415492 /nfs/dbraw/zinc/41/54/92/356415492.db2.gz QJSIZMQZVIRMCR-UHFFFAOYSA-N 0 0 289.378 1.756 50 0 CDAARN Cc1ccsc1/C=C/C(=O)NCc1nnc2n1CCC2 ZINC000032906568 356424594 /nfs/dbraw/zinc/42/45/94/356424594.db2.gz KBJBVQOCVPHEPO-SNAWJCMRSA-N 0 0 288.376 1.924 50 0 CDAARN O[C@@H]1CCCN(c2ncccc2CNCc2ccco2)C1 ZINC000014959788 356402190 /nfs/dbraw/zinc/40/21/90/356402190.db2.gz IACHBIDFTDFUJT-CQSZACIVSA-N 0 0 287.363 1.926 50 0 CDAARN CCN(CC)c1ncccc1CNC(=O)c1cnccn1 ZINC000014970335 356402331 /nfs/dbraw/zinc/40/23/31/356402331.db2.gz TWYPHCNBHQFZHC-UHFFFAOYSA-N 0 0 285.351 1.648 50 0 CDAARN Cc1ccnc2nc(C(=O)O[C@@H]3CCCCC3=O)nn21 ZINC000032876735 356405000 /nfs/dbraw/zinc/40/50/00/356405000.db2.gz DSEDSOJHWMIJKM-SNVBAGLBSA-N 0 0 274.280 1.101 50 0 CDAARN CCc1noc(C)c1C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000017024482 356452201 /nfs/dbraw/zinc/45/22/01/356452201.db2.gz ABVSZGSOIAKHEX-UHFFFAOYSA-N 0 0 298.306 1.978 50 0 CDAARN COCC(=O)Cc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000017719452 356463198 /nfs/dbraw/zinc/46/31/98/356463198.db2.gz BNIIHGCOJCBWTA-UHFFFAOYSA-N 0 0 287.323 1.264 50 0 CDAARN CCOc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 ZINC000016493556 356441161 /nfs/dbraw/zinc/44/11/61/356441161.db2.gz RFEJFUALADUFET-UHFFFAOYSA-N 0 0 258.277 1.971 50 0 CDAARN CCCS(=O)(=O)c1ccccc1C(=O)N1CCOCC1 ZINC000016650422 356444736 /nfs/dbraw/zinc/44/47/36/356444736.db2.gz RAVXQDVRESSHCK-UHFFFAOYSA-N 0 0 297.376 1.343 50 0 CDAARN NC(=O)N1CCC[C@@H](C(=O)N2CCc3sccc3C2)C1 ZINC000032922790 356447438 /nfs/dbraw/zinc/44/74/38/356447438.db2.gz AJVVZPXFRZYWBR-LLVKDONJSA-N 0 0 293.392 1.424 50 0 CDAARN O=C(CCN1CCOCC1)Nc1ccc2c(c1)OCO2 ZINC000019720881 356496704 /nfs/dbraw/zinc/49/67/04/356496704.db2.gz GKWMRCNNRVAHBI-UHFFFAOYSA-N 0 0 278.308 1.076 50 0 CDAARN COc1cccc(NC(=O)NCCCN2CCOCC2)c1 ZINC000019834113 356508221 /nfs/dbraw/zinc/50/82/21/356508221.db2.gz HALKIPFPSMHPBZ-UHFFFAOYSA-N 0 0 293.367 1.539 50 0 CDAARN COc1ccc(C(=O)OCCN2CCOCC2)cc1 ZINC000019913386 356515420 /nfs/dbraw/zinc/51/54/20/356515420.db2.gz DPHOKLZALQVXFM-UHFFFAOYSA-N 0 0 265.309 1.184 50 0 biogenic CDAARN C[S@](=O)c1nncn1-c1ccc(C(F)(F)F)cn1 ZINC000195578590 363478930 /nfs/dbraw/zinc/47/89/30/363478930.db2.gz QBXAAILMMDGECJ-SFHVURJKSA-N 0 0 276.243 1.419 50 0 CDAARN CCc1ccc(OCC(=O)NC(C)(C)C(=O)OC)cc1 ZINC000023152525 356630844 /nfs/dbraw/zinc/63/08/44/356630844.db2.gz WTEDQBPWOILFHY-UHFFFAOYSA-N 0 0 279.336 1.696 50 0 CDAARN COCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000023160484 356631654 /nfs/dbraw/zinc/63/16/54/356631654.db2.gz SGGIDXOVEVKVDC-NSHDSACASA-N 0 0 259.309 1.696 50 0 CDAARN CC(C)NC(=O)CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000023019750 356626266 /nfs/dbraw/zinc/62/62/66/356626266.db2.gz CBRNOEBCODXMMU-UHFFFAOYSA-N 0 0 277.299 1.561 50 0 CDAARN O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(=O)[nH]c1 ZINC000023101344 356627775 /nfs/dbraw/zinc/62/77/75/356627775.db2.gz MTEUGBIOJPSRPO-UHFFFAOYSA-N 0 0 298.346 1.300 50 0 CDAARN Cn1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)n1 ZINC000023464338 356643441 /nfs/dbraw/zinc/64/34/41/356643441.db2.gz OAMIJHGOJMHCPL-ZACCUICWSA-N 0 0 261.325 1.754 50 0 CDAARN Cn1nnnc1SCc1cn2cc(Cl)ccc2n1 ZINC000012589047 370663678 /nfs/dbraw/zinc/66/36/78/370663678.db2.gz OFTHBYAALWNUOT-UHFFFAOYSA-N 0 0 280.744 1.804 50 0 CDAARN NC(=O)c1cccnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000024053429 356651900 /nfs/dbraw/zinc/65/19/00/356651900.db2.gz HPLTTWZZHJRPES-QMMMGPOBSA-N 0 0 273.258 1.959 50 0 CDAARN O=C(CSc1nnnn1C1CC1)Nc1ccccn1 ZINC000024444842 356655796 /nfs/dbraw/zinc/65/57/96/356655796.db2.gz WOGSMMZOWSONEI-UHFFFAOYSA-N 0 0 276.325 1.134 50 0 CDAARN CCCCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000025290118 356671998 /nfs/dbraw/zinc/67/19/98/356671998.db2.gz DFHAEWLEFXPUFT-UHFFFAOYSA-N 0 0 277.368 1.725 50 0 CDAARN Cn1cc(NC(=O)c2cccc(NC(N)=O)c2)cn1 ZINC000025306481 356672181 /nfs/dbraw/zinc/67/21/81/356672181.db2.gz SGDZPJBDDIMYBL-UHFFFAOYSA-N 0 0 259.269 1.163 50 0 CDAARN COc1cc(F)ccc1NC(=O)CNC(=O)C(C)(C)C ZINC000025310437 356672282 /nfs/dbraw/zinc/67/22/82/356672282.db2.gz KKLMJBGWADKSOJ-UHFFFAOYSA-N 0 0 282.315 1.935 50 0 CDAARN Cn1nccc1CNC(=O)NCc1ccc(F)cc1 ZINC000026395829 356691340 /nfs/dbraw/zinc/69/13/40/356691340.db2.gz VYLGHDDIWAHNTL-UHFFFAOYSA-N 0 0 262.288 1.559 50 0 CDAARN CCOC(=O)c1cnn(-c2nc(CC)cc(=O)[nH]2)c1C ZINC000026421876 356692445 /nfs/dbraw/zinc/69/24/45/356692445.db2.gz LXDICRZDGCCPQM-UHFFFAOYSA-N 0 0 276.296 1.003 50 0 CDAARN CCCn1ccnc1S[C@H](C)C(=O)N1CCNC1=O ZINC000025733397 356681058 /nfs/dbraw/zinc/68/10/58/356681058.db2.gz DPBUJBXQHIXHGU-SECBINFHSA-N 0 0 282.369 1.326 50 0 CDAARN c1nc2ccccc2n1CN1CCN(c2cnccn2)CC1 ZINC000026661914 356697408 /nfs/dbraw/zinc/69/74/08/356697408.db2.gz DBQBLOHIOGTJGV-UHFFFAOYSA-N 0 0 294.362 1.606 50 0 CDAARN NC(=O)[C@@H](c1ccccc1)N1CCC2(CC1)OCCO2 ZINC000028079094 356717573 /nfs/dbraw/zinc/71/75/73/356717573.db2.gz JCPRVYZBBWONNS-CYBMUJFWSA-N 0 0 276.336 1.052 50 0 CDAARN O=C(NCc1cccnc1)c1ccc(Cn2cccn2)o1 ZINC000028226753 356718448 /nfs/dbraw/zinc/71/84/48/356718448.db2.gz LQLYFWINUXSDHD-UHFFFAOYSA-N 0 0 282.303 1.849 50 0 CDAARN CC1(C)NC(=O)N(C[C@H](O)c2ccccc2F)C1=O ZINC000028912923 356728049 /nfs/dbraw/zinc/72/80/49/356728049.db2.gz XRGJMFRYAKILMA-JTQLQIEISA-N 0 0 266.272 1.190 50 0 CDAARN CC(C)[C@@H](C)NC(=O)Cc1ccc(NC(N)=O)cc1 ZINC000029508873 356737533 /nfs/dbraw/zinc/73/75/33/356737533.db2.gz NBNVMHCSCUSXLW-SNVBAGLBSA-N 0 0 263.341 1.880 50 0 CDAARN C[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)[C@@H](C)CO1 ZINC000027641726 356711270 /nfs/dbraw/zinc/71/12/70/356711270.db2.gz WEZTXNLTBKMGNN-VHSXEESVSA-N 0 0 279.365 1.365 50 0 CDAARN Cc1nnc(S[C@H](C)C(=O)NC[C@H]2CCCO2)s1 ZINC000032956506 356715853 /nfs/dbraw/zinc/71/58/53/356715853.db2.gz XXHBZJFNDKNJOY-VXNVDRBHSA-N 0 0 287.410 1.622 50 0 CDAARN C[C@H]1COCCN1C(=O)c1ccc(-n2ccnc2)nc1 ZINC000029915000 356745609 /nfs/dbraw/zinc/74/56/09/356745609.db2.gz KNUJSRCOUFZLEC-NSHDSACASA-N 0 0 272.308 1.128 50 0 CDAARN CC(=O)c1ccc(C(=O)NC[C@@H](C)N2CCOCC2)s1 ZINC000029959934 356745898 /nfs/dbraw/zinc/74/58/98/356745898.db2.gz KIENPUSQAVWWNR-SNVBAGLBSA-N 0 0 296.392 1.401 50 0 CDAARN COc1ccc(C(=O)NCCCn2cccn2)cc1OC ZINC000030170707 356747467 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391482300 /nfs/dbraw/zinc/48/23/00/391482300.db2.gz PASNTTZAWIVTGK-UHFFFAOYSA-N 0 0 290.429 1.689 50 0 CDAARN Cc1c(Cl)cccc1C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC000192659363 391746783 /nfs/dbraw/zinc/74/67/83/391746783.db2.gz SJCSTYKKMZIDDX-GXFFZTMASA-N 0 0 283.755 1.464 50 0 CDAARN C[C@@H]1CN(C(=O)[C@@H]2CCn3ccnc3C2)C[C@H](C)O1 ZINC000095992232 391722558 /nfs/dbraw/zinc/72/25/58/391722558.db2.gz FDVPKZZOZLWRGS-GRYCIOLGSA-N 0 0 263.341 1.081 50 0 CDAARN CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000191402963 130232041 /nfs/dbraw/zinc/23/20/41/130232041.db2.gz LAGPKQLBCYWNEB-CYBMUJFWSA-N 0 0 294.326 1.447 50 0 CDAARN CCCOc1ccc(C(=O)O[C@@H](C)C(N)=O)cc1OCC ZINC000003550554 391922062 /nfs/dbraw/zinc/92/20/62/391922062.db2.gz RYGGAVSPNHMTFG-JTQLQIEISA-N 0 0 295.335 1.905 50 0 CDAARN CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2N)n1 ZINC000038575651 391955286 /nfs/dbraw/zinc/95/52/86/391955286.db2.gz PAASIRINWZTCBA-UHFFFAOYSA-N 0 0 271.280 1.773 50 0 CDAARN COC(=O)c1ccc2n[nH]c(Br)c2n1 ZINC000238406650 131079529 /nfs/dbraw/zinc/07/95/29/131079529.db2.gz FFRDNIFDCCLZNK-UHFFFAOYSA-N 0 0 256.059 1.507 50 0 CDAARN Nc1c(-n2cccn2)ncnc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000089885046 392517048 /nfs/dbraw/zinc/51/70/48/392517048.db2.gz ZTDBKWLHPCSTOO-RYUDHWBXSA-N 0 0 282.351 1.647 50 0 CDAARN Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(O)c1)CC(=O)O2 ZINC000524730116 392914456 /nfs/dbraw/zinc/91/44/56/392914456.db2.gz WJUKTZLGCLPCAE-GFCCVEGCSA-N 0 0 285.299 1.840 50 0 biogenic CDAARN CCOC(=O)CCCCn1nnnc1C(C)(C)C ZINC000096416332 393183341 /nfs/dbraw/zinc/18/33/41/393183341.db2.gz IULYEHJYUMODJT-UHFFFAOYSA-N 0 0 254.334 1.704 50 0 CDAARN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C\c1cccnc1 ZINC000096311047 393175633 /nfs/dbraw/zinc/17/56/33/393175633.db2.gz WHMFVGVRSHBBCN-QGSKFPASSA-N 0 0 273.336 1.207 50 0 CDAARN CC[C@@H](OC1CCCC1)C(=O)NCC1(C)COC1 ZINC000096405865 393180226 /nfs/dbraw/zinc/18/02/26/393180226.db2.gz NRFXEVRQVRNIRB-GFCCVEGCSA-N 0 0 255.358 1.877 50 0 CDAARN CCCc1nnnn1Cc1cn2c(cccc2C)n1 ZINC000096410888 393181245 /nfs/dbraw/zinc/18/12/45/393181245.db2.gz UHUWARYLCYOHRF-UHFFFAOYSA-N 0 0 256.313 1.630 50 0 CDAARN COC(=O)c1cc(Cl)cc(NC(=O)Cn2cccn2)c1 ZINC000096412265 393181462 /nfs/dbraw/zinc/18/14/62/393181462.db2.gz ZGNHMCJOJLCBEP-UHFFFAOYSA-N 0 0 293.710 1.962 50 0 CDAARN CO[C@H]1Cc2ccccc2N(C(=O)c2ccnn2C)C1 ZINC000252481650 393305208 /nfs/dbraw/zinc/30/52/08/393305208.db2.gz CPZHWYIFGPRLGN-LBPRGKRZSA-N 0 0 271.320 1.638 50 0 CDAARN Cc1cnc(S(=O)(=O)CCCOC(C)C)nc1 ZINC000195579502 393306699 /nfs/dbraw/zinc/30/66/99/393306699.db2.gz CIJOORKOWQZQOQ-UHFFFAOYSA-N 0 0 258.343 1.374 50 0 CDAARN Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2C)c(F)c1 ZINC000193358334 393322553 /nfs/dbraw/zinc/32/25/53/393322553.db2.gz QGDHQSSLFCOPRT-JTQLQIEISA-N 0 0 272.345 1.117 50 0 CDAARN Cn1nnc2c1nccc2C(=O)NCC1(C(F)F)CC1 ZINC000548880711 393394108 /nfs/dbraw/zinc/39/41/08/393394108.db2.gz DIOVBLDRLDHAFP-UHFFFAOYSA-N 0 0 281.266 1.138 50 0 CDAARN Cc1cc(Cl)ccc1NCC(=O)N1CCNC1=O ZINC000010220050 393440181 /nfs/dbraw/zinc/44/01/81/393440181.db2.gz FYHGSYHTYNDVJM-UHFFFAOYSA-N 0 0 267.716 1.612 50 0 CDAARN CSC(C)(C)CNC(=O)N(C)C[C@H]1CCCO1 ZINC000084326076 483272003 /nfs/dbraw/zinc/27/20/03/483272003.db2.gz UGWSDVGAXCJLMN-SNVBAGLBSA-N 0 0 260.403 1.948 50 0 CDAARN O=C(N1CCOCC1)N1CCN(c2ccccc2F)CC1 ZINC000000355167 134525523 /nfs/dbraw/zinc/52/55/23/134525523.db2.gz FSZBYGWZGVPCMU-UHFFFAOYSA-N 0 0 293.342 1.400 50 0 aggregator CDAARN Cc1cc(NC(=O)CN2CCOc3ccccc32)on1 ZINC000026200831 134748150 /nfs/dbraw/zinc/74/81/50/134748150.db2.gz SAIKZWYDMJZPAM-UHFFFAOYSA-N 0 0 273.292 1.821 50 0 CDAARN OCC1(O)CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000067878108 134845132 /nfs/dbraw/zinc/84/51/32/134845132.db2.gz GOZRQZOYYZAABW-UHFFFAOYSA-N 0 0 276.258 1.424 50 0 CDAARN O=C(C[C@H]1CCCOC1)N1CCN(c2ccccn2)CC1 ZINC000082315868 135006105 /nfs/dbraw/zinc/00/61/05/135006105.db2.gz CYIATRGLWXGJJE-CQSZACIVSA-N 0 0 289.379 1.547 50 0 CDAARN Cc1nc(C)c(C)c(N2CCC[C@H](CS(C)(=O)=O)C2)n1 ZINC000091459747 135070565 /nfs/dbraw/zinc/07/05/65/135070565.db2.gz CXPULSVNMMGBMP-ZDUSSCGKSA-N 0 0 297.424 1.663 50 0 CDAARN COCC[C@@]1(CO)CCCN(c2ncc(F)c(OC)n2)C1 ZINC000091691643 135073189 /nfs/dbraw/zinc/07/31/89/135073189.db2.gz KRYYZMUOJRPZRX-AWEZNQCLSA-N 0 0 299.346 1.240 50 0 CDAARN Cc1nn(C)cc1C(=O)N1CCN(c2ncccc2C)CC1 ZINC000092019816 135074617 /nfs/dbraw/zinc/07/46/17/135074617.db2.gz XGFDUYMFXGTESX-UHFFFAOYSA-N 0 0 299.378 1.394 50 0 CDAARN Cn1cnc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000089756617 139677925 /nfs/dbraw/zinc/67/79/25/139677925.db2.gz PKGJSOBXMWWBKI-PHIMTYICSA-N 0 0 269.370 1.231 50 0 CDAARN O=c1[nH]cnc2ccc(I)cc21 ZINC000005687386 296526123 /nfs/dbraw/zinc/52/61/23/296526123.db2.gz PUGXMZKDRVGIHC-UHFFFAOYSA-N 0 0 272.045 1.528 50 0 in-vitro CDAARN Cc1ccc(C2=CSC3=NS(=O)(=O)CCN23)o1 ZINC000007719307 292090124 /nfs/dbraw/zinc/09/01/24/292090124.db2.gz UWWKADLZMWKRAC-UHFFFAOYSA-N 0 0 270.335 1.635 50 0 CDAARN C[C@H](CO)SCc1cc(=O)n2ccccc2n1 ZINC000096430339 397864807 /nfs/dbraw/zinc/86/48/07/397864807.db2.gz APLUIODVSZTQTD-SECBINFHSA-N 0 0 250.323 1.309 50 0 CDAARN O=C(C[C@H]1C(=O)Nc2ccc(F)cc21)N1CCCO1 ZINC000102611600 397865992 /nfs/dbraw/zinc/86/59/92/397865992.db2.gz VHLSRLMHEMREIA-SNVBAGLBSA-N 0 0 264.256 1.415 50 0 CDAARN COc1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)ncn1 ZINC000096501657 286234557 /nfs/dbraw/zinc/23/45/57/286234557.db2.gz JKIFKZGIABSJHL-NXEZZACHSA-N 0 0 262.313 1.749 50 0 CDAARN COc1ccc(-c2csc3ncn(N)c(=O)c23)cc1 ZINC000000137212 286263829 /nfs/dbraw/zinc/26/38/29/286263829.db2.gz BKFZPRAFVOVXCD-UHFFFAOYSA-N 0 0 273.317 1.847 50 0 CDAARN CN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1COC[C@H]1O ZINC000343633929 152251577 /nfs/dbraw/zinc/25/15/77/152251577.db2.gz QMDYNSWEXNKZTQ-DTWKUNHWSA-N 0 0 296.676 1.950 50 0 CDAARN COc1ccc(N[C@@H]2C[C@@H](C)NC(=S)N2)cc1 ZINC000000325790 286337306 /nfs/dbraw/zinc/33/73/06/286337306.db2.gz SWPPXEORCKRMSH-KCJUWKMLSA-N 0 0 251.355 1.690 50 0 CDAARN Cc1cc(C(=O)NC[C@H](CO)C(C)C)nc(C)n1 ZINC000345957923 153009228 /nfs/dbraw/zinc/00/92/28/153009228.db2.gz MEVBATOVYDRHFC-LLVKDONJSA-N 0 0 251.330 1.088 50 0 CDAARN O=C(NCCn1cccc1)c1ccnc2ccncc21 ZINC000352053869 154925852 /nfs/dbraw/zinc/92/58/52/154925852.db2.gz WWSLEBSFDXTVQP-UHFFFAOYSA-N 0 0 266.304 1.861 50 0 CDAARN O=C(COCC(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000374559395 160296035 /nfs/dbraw/zinc/29/60/35/160296035.db2.gz MJBVACHUOMBFIJ-AEJSXWLSSA-N 0 0 281.274 1.639 50 0 CDAARN O=C(NCc1ccco1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000001887396 169762471 /nfs/dbraw/zinc/76/24/71/169762471.db2.gz MRICTOXANMLNAR-ZDUSSCGKSA-N 0 0 271.272 1.678 50 0 CDAARN NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000002039722 169770698 /nfs/dbraw/zinc/77/06/98/169770698.db2.gz WDASILDKNHAVRK-UHFFFAOYSA-N 0 0 267.288 1.356 50 0 CDAARN CCOC(=O)c1cnc(Nc2ccc(OC)cc2)[nH]c1=O ZINC000002197929 169781200 /nfs/dbraw/zinc/78/12/00/169781200.db2.gz LYXHYKNSAKSSQZ-UHFFFAOYSA-N 0 0 289.291 1.699 50 0 CDAARN O=S(=O)(NCc1ccncc1)c1cccs1 ZINC000002486783 169794557 /nfs/dbraw/zinc/79/45/57/169794557.db2.gz UGXVXUQEPQJANQ-UHFFFAOYSA-N 0 0 254.336 1.622 50 0 CDAARN C[C@@H]1CC(=O)c2cc(C(=O)NC3CC3)c(=O)[nH]c2C1 ZINC000049551688 287203184 /nfs/dbraw/zinc/20/31/84/287203184.db2.gz UVWCJFMOUOCOKF-ZETCQYMHSA-N 0 0 260.293 1.032 50 0 CDAARN Cn1cnnc1SCC(=O)Nc1nccs1 ZINC000002782885 169830404 /nfs/dbraw/zinc/83/04/04/169830404.db2.gz IDERYAHTOIUVSF-UHFFFAOYSA-N 0 0 255.328 1.002 50 0 CDAARN Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 ZINC000002943643 169845230 /nfs/dbraw/zinc/84/52/30/169845230.db2.gz ZZAREBGNFLHVQO-GFCCVEGCSA-N 0 0 262.309 1.229 50 0 CDAARN CCCCCCNC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000003035335 169850321 /nfs/dbraw/zinc/85/03/21/169850321.db2.gz SZEOKJBCVFMXGP-UHFFFAOYSA-N 0 0 289.383 1.980 50 0 CDAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1nccs1)CS2 ZINC000003437304 169887934 /nfs/dbraw/zinc/88/79/34/169887934.db2.gz BGVJUIAHIJKYFD-CPCISQLKSA-N 0 0 283.378 1.536 50 0 CDAARN COCCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000003907629 169923684 /nfs/dbraw/zinc/92/36/84/169923684.db2.gz LHMMLHFQLCAFGS-UHFFFAOYSA-N 0 0 264.256 1.857 50 0 CDAARN O=C(CSC(=S)N1CCCC1)N1CCCC1 ZINC000004740859 170008855 /nfs/dbraw/zinc/00/88/55/170008855.db2.gz AMGMEXXEHKGOCW-UHFFFAOYSA-N 0 0 258.412 1.723 50 0 CDAARN O=C(Nc1ccc(Cl)cc1)c1n[nH]c(-n2cnnc2)n1 ZINC000004786567 170017606 /nfs/dbraw/zinc/01/76/06/170017606.db2.gz MGNSQNDUTXCCKO-UHFFFAOYSA-N 0 0 289.686 1.291 50 0 CDAARN CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O ZINC000004899875 170037697 /nfs/dbraw/zinc/03/76/97/170037697.db2.gz BZUNCDPEEKFTCX-GJZGRUSLSA-N 0 0 299.374 1.740 50 0 CDAARN CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1 ZINC000004903804 170039196 /nfs/dbraw/zinc/03/91/96/170039196.db2.gz SHNLGDPMKPZGIL-UHFFFAOYSA-N 0 0 290.410 1.283 50 0 CDAARN CCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000004968992 170046753 /nfs/dbraw/zinc/04/67/53/170046753.db2.gz OSRQEYNRWVGNFF-UHFFFAOYSA-N 0 0 296.392 1.674 50 0 biogenic CDAARN O=C([O-])Cn1cc(CN2CCOCC2)c2ccccc21 ZINC000004973540 170047181 /nfs/dbraw/zinc/04/71/81/170047181.db2.gz XXINQVXDNYTUBA-UHFFFAOYSA-N 0 0 274.320 1.558 50 0 CDAARN O=C(CSc1ncn(-c2ccccc2)n1)N1CCCC1 ZINC000005059432 170062359 /nfs/dbraw/zinc/06/23/59/170062359.db2.gz XLRWNDMMRZOTLZ-UHFFFAOYSA-N 0 0 288.376 1.982 50 0 CDAARN CCCC[S@](=O)C[C@@H](COC(C)C)OC(C)=O ZINC000005102561 170066524 /nfs/dbraw/zinc/06/65/24/170066524.db2.gz NBEBVGRORGVLIO-SJKOYZFVSA-N 0 0 264.387 1.892 50 0 CDAARN CCOc1ccccc1CCC(=O)OCC(N)=O ZINC000005150504 170070901 /nfs/dbraw/zinc/07/09/01/170070901.db2.gz UYLHUMKQAVEFKY-UHFFFAOYSA-N 0 0 251.282 1.046 50 0 CDAARN C[C@H]1C[C@H]1C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 ZINC000005259609 170080739 /nfs/dbraw/zinc/08/07/39/170080739.db2.gz UKVJPYMBTKYYLL-GXSJLCMTSA-N 0 0 299.334 1.897 50 0 CDAARN COc1ccc(C(=O)NCc2n[nH]c(=S)n2C)cc1 ZINC000005521235 170107540 /nfs/dbraw/zinc/10/75/40/170107540.db2.gz DHRXMJVNYHXBIH-UHFFFAOYSA-N 0 0 278.337 1.416 50 0 CDAARN CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccncc1 ZINC000005525893 170108713 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/nfs/dbraw/zinc/04/92/19/185049219.db2.gz QHZXIHCUTWEERR-UHFFFAOYSA-N 0 0 264.354 1.891 50 0 CDAARN Cc1ccc(NC(=O)CN2CCCCC2=O)c(C)c1O ZINC000095972493 185049227 /nfs/dbraw/zinc/04/92/27/185049227.db2.gz CVWBMCJSUHIMPP-UHFFFAOYSA-N 0 0 276.336 1.960 50 0 CDAARN CNC(=O)CN(C(=O)C1=CCCCO1)c1cccc(F)c1 ZINC000095971929 185049274 /nfs/dbraw/zinc/04/92/74/185049274.db2.gz SZAYQHXAMLLLRK-UHFFFAOYSA-N 0 0 292.310 1.599 50 0 CDAARN O=C(NCCc1ccc(O)cc1)Nc1cccnn1 ZINC000095973602 185049901 /nfs/dbraw/zinc/04/99/01/185049901.db2.gz BCOWEKOPWXHOTA-UHFFFAOYSA-N 0 0 258.281 1.546 50 0 CDAARN O[C@@H](Cc1ccccc1C(F)(F)F)Cn1cnnc1 ZINC000095974584 185050021 /nfs/dbraw/zinc/05/00/21/185050021.db2.gz VNLHAPBPLBINOA-JTQLQIEISA-N 0 0 271.242 1.901 50 0 CDAARN CO[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C1(O)CCC1 ZINC000095978877 185053236 /nfs/dbraw/zinc/05/32/36/185053236.db2.gz GSLNOAAFNFEAQM-NXEZZACHSA-N 0 0 277.311 1.611 50 0 CDAARN Cc1[nH]ccc1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000095981006 185053262 /nfs/dbraw/zinc/05/32/62/185053262.db2.gz QZYOWJOQHNAHOS-CYBMUJFWSA-N 0 0 258.321 1.657 50 0 CDAARN COc1cc(C(=O)N(C)C2(C(N)=O)CCCC2)ccc1F ZINC000095994395 185059007 /nfs/dbraw/zinc/05/90/07/185059007.db2.gz BFFKFHPHZMUSQO-UHFFFAOYSA-N 0 0 294.326 1.704 50 0 CDAARN CNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)cc2F)C1 ZINC000095993013 185059286 /nfs/dbraw/zinc/05/92/86/185059286.db2.gz BUPMVQRKIDQHBF-VIFPVBQESA-N 0 0 280.299 1.130 50 0 CDAARN O=C(NCC(F)(F)F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000095995001 185060541 /nfs/dbraw/zinc/06/05/41/185060541.db2.gz LOIATCXFAQAMED-SECBINFHSA-N 0 0 291.277 1.262 50 0 CDAARN Cc1nc(CN(C)C(=O)NC2CCCCC2)no1 ZINC000096006833 185063082 /nfs/dbraw/zinc/06/30/82/185063082.db2.gz LIJCILZZDOZVDK-UHFFFAOYSA-N 0 0 252.318 1.852 50 0 CDAARN CCCNC(=O)c1cccc(C(=O)N[C@H](C)C[C@@H](C)O)c1 ZINC000096009070 185064298 /nfs/dbraw/zinc/06/42/98/185064298.db2.gz UTWCQLKKOGNKJR-VXGBXAGGSA-N 0 0 292.379 1.716 50 0 CDAARN O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CC=CCC1 ZINC000096010216 185064938 /nfs/dbraw/zinc/06/49/38/185064938.db2.gz SAYIJPJBFCVTTG-LLVKDONJSA-N 0 0 271.320 1.829 50 0 CDAARN CCc1ccccc1OCC(=O)NCc1cn(C)nc1C ZINC000096011987 185065770 /nfs/dbraw/zinc/06/57/70/185065770.db2.gz TZBLXZLMBNLGDE-UHFFFAOYSA-N 0 0 287.363 1.986 50 0 CDAARN COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1 ZINC000096011426 185066008 /nfs/dbraw/zinc/06/60/08/185066008.db2.gz SGLQSXDGWAHRRA-UHFFFAOYSA-N 0 0 259.309 1.375 50 0 CDAARN Cc1cc(S(=O)(=O)N2Cc3cncnc3C2)ccc1F ZINC000096025503 185066313 /nfs/dbraw/zinc/06/63/13/185066313.db2.gz PDRIYLVLXNELGU-UHFFFAOYSA-N 0 0 293.323 1.629 50 0 CDAARN Nc1c(C(=O)[O-])[nH+]c2c(Br)cccn12 ZINC000082696136 178193483 /nfs/dbraw/zinc/19/34/83/178193483.db2.gz RLWMPGVUJPSGEV-UHFFFAOYSA-N 0 0 256.059 1.377 50 0 CDAARN Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccoc1 ZINC000096026018 185067662 /nfs/dbraw/zinc/06/76/62/185067662.db2.gz ALVWTLYUPWFHGK-UHFFFAOYSA-N 0 0 283.353 1.151 50 0 CDAARN CCc1noc(C)c1NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000239367112 361745554 /nfs/dbraw/zinc/74/55/54/361745554.db2.gz AHOAFABVUCOMHL-UHFFFAOYSA-N 0 0 292.339 1.288 50 0 CDAARN CC(C)c1nc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cs1 ZINC000240662421 361747859 /nfs/dbraw/zinc/74/78/59/361747859.db2.gz PKVSWZBNVDSFPD-SECBINFHSA-N 0 0 295.364 1.543 50 0 CDAARN COCCc1nsc(NCc2cccnc2)n1 ZINC000241644494 361753608 /nfs/dbraw/zinc/75/36/08/361753608.db2.gz PRGURBAQSBAYBK-UHFFFAOYSA-N 0 0 250.327 1.734 50 0 CDAARN COC(=O)C1=NN(C(=O)C(C)C)[C@](O)(c2ccccc2)C1 ZINC000000448982 342088750 /nfs/dbraw/zinc/08/87/50/342088750.db2.gz KDHPJZLITSFNOJ-OAHLLOKOSA-N 0 0 290.319 1.249 50 0 CDAARN C[C@]12CC=CC[C@H]1C(=O)N(NC(=O)c1ccncc1)C2=O ZINC000004990915 342089015 /nfs/dbraw/zinc/08/90/15/342089015.db2.gz MQYZDMZAKBNCHC-NHYWBVRUSA-N 0 0 285.303 1.068 50 0 CDAARN CS(=O)(=O)[C@H]1CCN(C(=O)/C=C/c2cccs2)C1 ZINC000096098057 185096928 /nfs/dbraw/zinc/09/69/28/185096928.db2.gz JNDLWJDRBJBJLZ-ZWNMCFTASA-N 0 0 285.390 1.407 50 0 CDAARN CCNc1nc(NC(C)(C)C)nc(N(C#N)CC)n1 ZINC000000492821 365673100 /nfs/dbraw/zinc/67/31/00/365673100.db2.gz BWOYWWCXXBHATM-UHFFFAOYSA-N 0 0 263.349 1.821 50 0 CDAARN O=C(Nc1nc[nH]n1)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 ZINC000096117259 185100892 /nfs/dbraw/zinc/10/08/92/185100892.db2.gz VFZKBFNOQGGTPC-UHFFFAOYSA-N 0 0 296.290 1.382 50 0 CDAARN Cc1cc(CNC(=O)c2ccccc2F)nc(N(C)C)n1 ZINC000096121309 185102157 /nfs/dbraw/zinc/10/21/57/185102157.db2.gz UPPXKKNVROBMAN-UHFFFAOYSA-N 0 0 288.326 1.920 50 0 CDAARN CC(C)CS(=O)(=O)C1CN(C(=O)c2ccco2)C1 ZINC000096121945 185102201 /nfs/dbraw/zinc/10/22/01/185102201.db2.gz FYRWTYRRAAFGDD-UHFFFAOYSA-N 0 0 271.338 1.175 50 0 CDAARN CCN1CCN(C(=S)c2ccc(O)cc2)CC1 ZINC000096134184 185104384 /nfs/dbraw/zinc/10/43/84/185104384.db2.gz CCGJOMGWGAAKFE-UHFFFAOYSA-N 0 0 250.367 1.705 50 0 CDAARN Cc1cc(-c2ccc(N)nc2)cnc1-n1cnnc1 ZINC000096132914 185104871 /nfs/dbraw/zinc/10/48/71/185104871.db2.gz VSTZPUZPJZFSKF-UHFFFAOYSA-N 0 0 252.281 1.615 50 0 CDAARN NC(=O)CCn1cc(-c2cccc(-c3cc[nH]n3)c2)cn1 ZINC000096135682 185105024 /nfs/dbraw/zinc/10/50/24/185105024.db2.gz WENPOHJGHUOCMQ-UHFFFAOYSA-N 0 0 281.319 1.816 50 0 CDAARN CCOc1cccc(Cn2cnc(CC)cc2=O)n1 ZINC000195559424 342628505 /nfs/dbraw/zinc/62/85/05/342628505.db2.gz UHVKQJRQPPVHRF-UHFFFAOYSA-N 0 0 259.309 1.648 50 0 CDAARN CN(C)C(=O)c1ccc(CNC(=O)NC2CCCC2)cn1 ZINC000195571424 342628770 /nfs/dbraw/zinc/62/87/70/342628770.db2.gz UXXIBOVVUFQKPO-UHFFFAOYSA-N 0 0 290.367 1.525 50 0 CDAARN COC(=O)CNC(=O)/C=C\c1ccccc1Cl ZINC000096647467 185108660 /nfs/dbraw/zinc/10/86/60/185108660.db2.gz VKOPODHGDBUPFH-SREVYHEPSA-N 0 0 253.685 1.642 50 0 CDAARN NC(=O)c1cncc(CC[C@H]2COc3ccccc3O2)c1 ZINC000244659492 361855142 /nfs/dbraw/zinc/85/51/42/361855142.db2.gz HDOFYNMRRMHVNQ-ZDUSSCGKSA-N 0 0 284.315 1.953 50 0 CDAARN CCN1CN(C[C@H](O)COc2c(C)cccc2C)CC1=O ZINC000252493447 361847057 /nfs/dbraw/zinc/84/70/57/361847057.db2.gz NCFYOQTZNJVJRO-AWEZNQCLSA-N 0 0 292.379 1.165 50 0 CDAARN CCCc1nc(CNC(=O)c2cnc[nH]2)cs1 ZINC000244742258 361861769 /nfs/dbraw/zinc/86/17/69/361861769.db2.gz OEMLEBAWJJLILC-UHFFFAOYSA-N 0 0 250.327 1.749 50 0 CDAARN C[C@H](c1ccncn1)N(C)CC(=O)NC(C)(C)C ZINC000244795036 361863686 /nfs/dbraw/zinc/86/36/86/361863686.db2.gz QYMABEFUNMWIHA-SNVBAGLBSA-N 0 0 250.346 1.384 50 0 CDAARN Cc1nccn1CCN(C)Cc1noc([C@@H]2CCCO2)n1 ZINC000244774249 361863750 /nfs/dbraw/zinc/86/37/50/361863750.db2.gz PQOCVWSBVVAMHF-LBPRGKRZSA-N 0 0 291.355 1.558 50 0 CDAARN CC[C@@H](NC(=O)c1cc(F)ccc1O)[C@H]1C[C@H](O)C1 ZINC000244882634 361868039 /nfs/dbraw/zinc/86/80/39/361868039.db2.gz XVMZQGXAMDVWQT-HLUHBDAQSA-N 0 0 267.300 1.811 50 0 CDAARN CCOC(=O)c1cc(N)n(C(=O)OC(C)(C)C)n1 ZINC000096675819 342173238 /nfs/dbraw/zinc/17/32/38/342173238.db2.gz MLEWBMQQVBAKGB-UHFFFAOYSA-N 0 0 255.274 1.425 50 0 CDAARN Cn1ccnc1C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000095996721 539088255 /nfs/dbraw/zinc/08/82/55/539088255.db2.gz RRNGYEXDMAAZLA-WDEREUQCSA-N 0 0 265.357 1.289 50 0 CDAARN C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C(=O)[O-])cc1F 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ZINC000585081778 539103192 /nfs/dbraw/zinc/10/31/92/539103192.db2.gz ACUBTXROMIXWBY-NSHDSACASA-N 0 0 280.368 1.215 50 0 CDAARN Cc1nc2ccc(NCCc3cnc(C4CC4)nc3)nn2n1 ZINC000585082323 539103212 /nfs/dbraw/zinc/10/32/12/539103212.db2.gz COHDVHBCYPBIDN-UHFFFAOYSA-N 0 0 295.350 1.177 50 0 CDAARN Cc1cc2ncn(CC(=O)N3CCO[C@@H](C)C3)c2cc1C ZINC000025816497 539133688 /nfs/dbraw/zinc/13/36/88/539133688.db2.gz GURPXYROIBADME-ZDUSSCGKSA-N 0 0 287.363 1.900 50 0 CDAARN CC[C@H](C)NC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 ZINC000032726783 539135180 /nfs/dbraw/zinc/13/51/80/539135180.db2.gz XJYDYRXNRAWVSX-HZMBPMFUSA-N 0 0 276.336 1.715 50 0 CDAARN CC(C)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000178819352 539137283 /nfs/dbraw/zinc/13/72/83/539137283.db2.gz PSMNWBBHYVRCCM-LBPRGKRZSA-N 0 0 269.366 1.877 50 0 CDAARN CN1CC(=O)N(CCSc2cccc(O)c2)C1=O ZINC000585119081 362038157 /nfs/dbraw/zinc/03/81/57/362038157.db2.gz PNBHPBWJSPKWGF-UHFFFAOYSA-N 0 0 266.322 1.378 50 0 CDAARN O=C1NCCN(Cc2ccno2)[C@H]1c1cccs1 ZINC000072799786 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348751284 /nfs/dbraw/zinc/75/12/84/348751284.db2.gz QSNNVGQJLMFTDP-UHFFFAOYSA-N 0 0 298.302 1.538 50 0 CDAARN Cc1cc(C(=O)N2CCCN(c3nccs3)CC2)no1 ZINC000064472492 348941742 /nfs/dbraw/zinc/94/17/42/348941742.db2.gz BFVQAXWGQNXVTC-UHFFFAOYSA-N 0 0 292.364 1.792 50 0 CDAARN CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NC1CCCC1 ZINC000089621389 179831018 /nfs/dbraw/zinc/83/10/18/179831018.db2.gz JRCLOMYGJGQZNE-JTQLQIEISA-N 0 0 276.402 1.009 50 0 CDAARN C[C@@H](CNC(=O)N(C)CC(F)F)CC1(C)OCCO1 ZINC000089895133 179878624 /nfs/dbraw/zinc/87/86/24/179878624.db2.gz QOIYCAQEWYAHBH-SECBINFHSA-N 0 0 280.315 1.682 50 0 CDAARN CC(C)Cc1nc(CN(C)C(=O)c2cnc(N)s2)no1 ZINC000584885533 349342876 /nfs/dbraw/zinc/34/28/76/349342876.db2.gz WQVXOGSVGFEPDT-UHFFFAOYSA-N 0 0 295.368 1.409 50 0 CDAARN CCCOC[C@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000584885588 349343377 /nfs/dbraw/zinc/34/33/77/349343377.db2.gz PRKPAUBNJLQLMB-NSHDSACASA-N 0 0 264.325 1.676 50 0 CDAARN CNC(=O)[C@H]1CCN(Cc2c(Cl)cncc2Cl)C1 ZINC000584885592 349343950 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Cc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C ZINC000005516064 292126623 /nfs/dbraw/zinc/12/66/23/292126623.db2.gz ASGGTJFQLVODKB-RYUDHWBXSA-N 0 0 296.417 1.957 50 0 CDAARN COC[C@@](C)(CCO)NC(=O)c1ccc2cc[nH]c2c1 ZINC000097047588 397946652 /nfs/dbraw/zinc/94/66/52/397946652.db2.gz GQASVYABGVOUEQ-OAHLLOKOSA-N 0 0 276.336 1.685 50 0 CDAARN CCCC(=O)NCCNc1cc(-n2cccn2)nc(C)n1 ZINC000023144350 398004396 /nfs/dbraw/zinc/00/43/96/398004396.db2.gz LQUAUIWXACTOGP-UHFFFAOYSA-N 0 0 288.355 1.299 50 0 CDAARN COC(=O)c1cc(Br)c(N)c(OC)c1 ZINC000040564700 174336700 /nfs/dbraw/zinc/33/67/00/174336700.db2.gz WNTCZYCMVFZROL-UHFFFAOYSA-N 0 0 260.087 1.827 50 0 CDAARN COc1cccc(-c2cn(CC(F)(F)F)nn2)n1 ZINC000656445001 413253439 /nfs/dbraw/zinc/25/34/39/413253439.db2.gz OFURYCBBZCKOSU-UHFFFAOYSA-N 0 0 258.203 1.911 50 0 CDAARN COc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000007275615 286323568 /nfs/dbraw/zinc/32/35/68/286323568.db2.gz STBFNDCPFSLQQU-QWRGUYRKSA-N 0 0 298.389 1.349 50 0 CDAARN Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000255426162 289371092 /nfs/dbraw/zinc/37/10/92/289371092.db2.gz RNEVFPADTPLNPI-WBSSQXGSSA-N 0 0 282.775 1.215 50 0 CDAARN CSc1nc(N)nc2sc(C(C)=O)c(N)c21 ZINC000009419253 413323986 /nfs/dbraw/zinc/32/39/86/413323986.db2.gz SLZMAUBGRPRCPZ-UHFFFAOYSA-N 0 0 254.340 1.780 50 0 CDAARN CN(CCOc1cccc(Cl)c1)C(=O)c1cc(N)n[nH]1 ZINC000080638630 1172952879 /nfs/dbraw/zinc/95/28/79/1172952879.db2.gz GLTFOAYWAMFKGG-UHFFFAOYSA-N 0 0 294.742 1.796 50 0 CDAARN O=C1OCC[C@H]1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002349828 169786793 /nfs/dbraw/zinc/78/67/93/169786793.db2.gz QNFUQOMFJUBWIM-CYBMUJFWSA-N 0 0 276.313 1.929 50 0 CDAARN Cc1cnn(C(=O)c2cc(C(F)(F)F)n(C)n2)c1 ZINC000002781907 169830381 /nfs/dbraw/zinc/83/03/81/169830381.db2.gz UTMVWJVRTJKHSR-UHFFFAOYSA-N 0 0 258.203 1.632 50 0 CDAARN CCN1C(=S)N=NC1C1N=NC(=S)N1CC ZINC000002793001 169831879 /nfs/dbraw/zinc/83/18/79/169831879.db2.gz AIGXRTNQVTYUSO-UHFFFAOYSA-N 0 0 256.360 1.154 50 0 CDAARN O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1ccco1 ZINC000002911463 169843959 /nfs/dbraw/zinc/84/39/59/169843959.db2.gz CZBKDUWRJUBULO-CQSZACIVSA-N 0 0 257.245 1.692 50 0 CDAARN O=C(CCc1ccccc1)O[C@H]1C=CS(=O)(=O)C1 ZINC000003158807 169862273 /nfs/dbraw/zinc/86/22/73/169862273.db2.gz HYERRCDAMVPYLL-LBPRGKRZSA-N 0 0 266.318 1.473 50 0 CDAARN CNC(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000003315414 169878538 /nfs/dbraw/zinc/87/85/38/169878538.db2.gz CLAPXOFCEPXXKR-UHFFFAOYSA-N 0 0 283.711 1.592 50 0 CDAARN O=c1c2ccccc2nnn1CSc1cccc[n+]1[O-] ZINC000003343807 169881085 /nfs/dbraw/zinc/88/10/85/169881085.db2.gz FSGHAFIPSSQUHD-UHFFFAOYSA-N 0 0 286.316 1.175 50 0 CDAARN CCNC(=O)NC(=O)CSc1ccccc1F ZINC000003473490 169890706 /nfs/dbraw/zinc/89/07/06/169890706.db2.gz UTYZFTZBJUVUNL-UHFFFAOYSA-N 0 0 256.302 1.764 50 0 CDAARN COc1ccc(CC(=O)N2CCN=C2SC)cc1OC ZINC000004119752 169935075 /nfs/dbraw/zinc/93/50/75/169935075.db2.gz IVOOGRQSFMXZQJ-UHFFFAOYSA-N 0 0 294.376 1.808 50 0 CDAARN CNC(=S)NCc1cc(OC)c(OC)c(OC)c1 ZINC000004727584 170006992 /nfs/dbraw/zinc/00/69/92/170006992.db2.gz IVRXLCJQFJUQAB-UHFFFAOYSA-N 0 0 270.354 1.306 50 0 biogenic,in-vitro CDAARN CC(C)[C@H](Sc1nncn1C(C)C)C(=O)NC(N)=O ZINC000004768432 170014199 /nfs/dbraw/zinc/01/41/99/170014199.db2.gz MVCYWZKIGVVRSY-QMMMGPOBSA-N 0 0 285.373 1.171 50 0 CDAARN Cc1cc(NC(=O)C(=O)NCc2ccccc2Cl)no1 ZINC000004839881 170027286 /nfs/dbraw/zinc/02/72/86/170027286.db2.gz CWYCEMXOJZXNBT-UHFFFAOYSA-N 0 0 293.710 1.891 50 0 CDAARN CC[C@@H](C)NC(=O)CCN(CC)C(=O)c1cnc(C)cn1 ZINC000004880555 170035624 /nfs/dbraw/zinc/03/56/24/170035624.db2.gz XIWFVGSJNIXNLY-LLVKDONJSA-N 0 0 292.383 1.552 50 0 CDAARN Cc1cc(C)c(NC(=O)CN2C(=O)CCC2=O)c(C)c1 ZINC000004942497 170043372 /nfs/dbraw/zinc/04/33/72/170043372.db2.gz FMMMEABWGSSMHT-UHFFFAOYSA-N 0 0 274.320 1.699 50 0 CDAARN COc1ccc(-c2noc(CN(C)C(C)=O)n2)cc1OC ZINC000004943585 170043741 /nfs/dbraw/zinc/04/37/41/170043741.db2.gz LQQNLQIUEXALSQ-UHFFFAOYSA-N 0 0 291.307 1.732 50 0 CDAARN Cc1nc(C)n([C@H](C)CNC(=O)c2cccs2)n1 ZINC000004988322 170049457 /nfs/dbraw/zinc/04/94/57/170049457.db2.gz LAYQHAYDHJEXHC-MRVPVSSYSA-N 0 0 264.354 1.947 50 0 CDAARN CCc1cc(S(=O)(=O)n2ccc(C)n2)ccc1OC ZINC000004993008 170051315 /nfs/dbraw/zinc/05/13/15/170051315.db2.gz NQTKBGYUBSVXGC-UHFFFAOYSA-N 0 0 280.349 2.000 50 0 CDAARN C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)NC1CC1 ZINC000005035393 170059348 /nfs/dbraw/zinc/05/93/48/170059348.db2.gz LEXFVCMUHFVXRP-SECBINFHSA-N 0 0 289.364 1.422 50 0 CDAARN COC[C@H](C)NC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000005060715 170062227 /nfs/dbraw/zinc/06/22/27/170062227.db2.gz IAPHKMDKNHTLIU-NSHDSACASA-N 0 0 298.342 1.951 50 0 CDAARN C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(O)cc2O)C1 ZINC000005104876 170066308 /nfs/dbraw/zinc/06/63/08/170066308.db2.gz KXCPOBZFHXOZGS-SNVBAGLBSA-N 0 0 293.319 1.513 50 0 CDAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)C2CC2)cc1 ZINC000005117406 170067604 /nfs/dbraw/zinc/06/76/04/170067604.db2.gz UMMLIDBNVRUOMY-VIFPVBQESA-N 0 0 290.319 1.925 50 0 CDAARN CCS(=O)(=O)Nc1cccc(-c2ccc(OC)nn2)c1 ZINC000005204160 170076336 /nfs/dbraw/zinc/07/63/36/170076336.db2.gz PVRYGHCPWPZVHS-UHFFFAOYSA-N 0 0 293.348 1.914 50 0 CDAARN C[C@H](Sc1nnc2ccccn21)C(=O)N1CCCC1 ZINC000005212902 170076691 /nfs/dbraw/zinc/07/66/91/170076691.db2.gz DUYWTONYIZIXRH-JTQLQIEISA-N 0 0 276.365 1.832 50 0 CDAARN Cc1ccc(NC(=O)C[C@H]([NH2+]C[C@H](C)O)C(=O)[O-])c(C)c1 ZINC000005258107 170080606 /nfs/dbraw/zinc/08/06/06/170080606.db2.gz YYXCMKQQFIVPGC-AAEUAGOBSA-N 0 0 294.351 1.056 50 0 CDAARN Cc1cc(CSc2nnc(C(F)(F)F)n2N)no1 ZINC000005282196 170082343 /nfs/dbraw/zinc/08/23/43/170082343.db2.gz YRQILLXFPWPWMU-UHFFFAOYSA-N 0 0 279.247 1.599 50 0 CDAARN CCOC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000005314850 170085292 /nfs/dbraw/zinc/08/52/92/170085292.db2.gz MINKGZZRQGVBCU-UHFFFAOYSA-N 0 0 284.337 1.795 50 0 CDAARN CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000005378601 170091600 /nfs/dbraw/zinc/09/16/00/170091600.db2.gz JQKQHNYXRNFRPZ-LLVKDONJSA-N 0 0 262.309 1.554 50 0 CDAARN COC(=O)[C@@H](C)NC(=O)Nc1cccc(C)c1C ZINC000005428469 170098432 /nfs/dbraw/zinc/09/84/32/170098432.db2.gz BLXZSSPJNWSMGF-SNVBAGLBSA-N 0 0 250.298 1.986 50 0 CDAARN COCC(=O)Nc1ccc(C)c(N2CCCC2=O)c1 ZINC000005440725 170099271 /nfs/dbraw/zinc/09/92/71/170099271.db2.gz IZWVZUGATYLKNV-UHFFFAOYSA-N 0 0 262.309 1.707 50 0 CDAARN C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000005463457 170101665 /nfs/dbraw/zinc/10/16/65/170101665.db2.gz DSJCIQSSTDCBFB-CDAZIORVSA-N 0 0 276.292 1.232 50 0 CDAARN Cc1ccc2c(c1)[nH]c1c2ncn(CCCO)c1=O ZINC000005477710 170103234 /nfs/dbraw/zinc/10/32/34/170103234.db2.gz LOLHIDFFQJUEFF-UHFFFAOYSA-N 0 0 257.293 1.569 50 0 CDAARN CCc1ccccc1-n1cc2c(c1)n(C)c(=O)n(C)c2=O ZINC000005478362 170103443 /nfs/dbraw/zinc/10/34/43/170103443.db2.gz YBLGAQRXAREMJJ-UHFFFAOYSA-N 0 0 283.331 1.590 50 0 CDAARN COC(=O)[C@H](C)NC(=O)N1CCn2c3ccccc3nc21 ZINC000005482790 170103761 /nfs/dbraw/zinc/10/37/61/170103761.db2.gz YKEAOCKXJBIDGS-VIFPVBQESA-N 0 0 288.307 1.127 50 0 CDAARN CC(=O)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000005517987 170106964 /nfs/dbraw/zinc/10/69/64/170106964.db2.gz LJTDYWMRQBXIDT-UHFFFAOYSA-N 0 0 290.772 1.097 50 0 CDAARN Cc1cc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)on1 ZINC000005565876 170114025 /nfs/dbraw/zinc/11/40/25/170114025.db2.gz IHKGZJGXKFJSIZ-MWLCHTKSSA-N 0 0 280.324 1.835 50 0 CDAARN COc1ccc(OC)c(N2C(=S)N=NC2C)c1 ZINC000005571464 170115161 /nfs/dbraw/zinc/11/51/61/170115161.db2.gz DSATXMLZZQOMDP-UHFFFAOYSA-N 0 0 251.311 1.882 50 0 CDAARN Cc1ccc(S(=O)(=O)N2CC[S@@](=O)[C@H](C)C2)cc1 ZINC000005683508 170128408 /nfs/dbraw/zinc/12/84/08/170128408.db2.gz DMMJWCDEXLSTPO-DIFFPNOSSA-N 0 0 287.406 1.137 50 0 CDAARN O=C(CCC(=O)c1cccs1)NC1=NCCS1 ZINC000005699413 170130474 /nfs/dbraw/zinc/13/04/74/170130474.db2.gz ZJPWVWOZQHFWCO-UHFFFAOYSA-N 0 0 268.363 1.930 50 0 CDAARN COc1ccc([S@@](=O)N2CCOCC2)c(OC)c1 ZINC000005702443 170130732 /nfs/dbraw/zinc/13/07/32/170130732.db2.gz WQBUAWNCWHUHII-SFHVURJKSA-N 0 0 271.338 1.059 50 0 CDAARN O=C(CSc1nc[nH]n1)Nc1ccccc1F ZINC000005731319 170134397 /nfs/dbraw/zinc/13/43/97/170134397.db2.gz FFLKWFYEJKQMPN-UHFFFAOYSA-N 0 0 252.274 1.675 50 0 CDAARN CCOC(=O)C(C)(C(=O)OCC)[C@H]1CCCC(=O)C1 ZINC000005854756 170147330 /nfs/dbraw/zinc/14/73/30/170147330.db2.gz KPEKBXBXLPRFIW-JTQLQIEISA-N 0 0 270.325 1.878 50 0 CDAARN C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)N1CCCC1 ZINC000005934838 170157642 /nfs/dbraw/zinc/15/76/42/170157642.db2.gz OUZYIVHZVZDGCF-NSHDSACASA-N 0 0 276.336 1.881 50 0 CDAARN Nc1n[nH]c(SCC(=O)NC2CCCCCCC2)n1 ZINC000006015946 170168390 /nfs/dbraw/zinc/16/83/90/170168390.db2.gz JIGPCNQIFIWQML-UHFFFAOYSA-N 0 0 283.401 1.708 50 0 CDAARN CCNC(=S)NCCc1ccc2c(c1)OCCO2 ZINC000006205780 170182467 /nfs/dbraw/zinc/18/24/67/170182467.db2.gz WBGHXNBJJVVZAT-UHFFFAOYSA-N 0 0 266.366 1.484 50 0 CDAARN CCCOc1ccc(-c2nc(SCC(N)=O)n[nH]2)cc1 ZINC000006361826 170195118 /nfs/dbraw/zinc/19/51/18/170195118.db2.gz MHVDRHBTTWGXCB-UHFFFAOYSA-N 0 0 292.364 1.838 50 0 CDAARN COc1ccc(CNC(=O)CSc2nc[nH]n2)cc1 ZINC000006498339 170206993 /nfs/dbraw/zinc/20/69/93/170206993.db2.gz ZPYHTTUHCSTSHR-UHFFFAOYSA-N 0 0 278.337 1.222 50 0 CDAARN CC(C)CNC(=O)[C@H]1CC(=O)N(Nc2ccccc2)C1 ZINC000006541817 170211552 /nfs/dbraw/zinc/21/15/52/170211552.db2.gz ZYCSPUMQXYWCDN-LBPRGKRZSA-N 0 0 275.352 1.634 50 0 CDAARN O=C(Cc1ccccc1)NCCCNC(=O)c1ccncc1 ZINC000006700792 170229027 /nfs/dbraw/zinc/22/90/27/170229027.db2.gz GTWADQTUHIXGEN-UHFFFAOYSA-N 0 0 297.358 1.560 50 0 CDAARN Cc1ccccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000006703637 170230641 /nfs/dbraw/zinc/23/06/41/170230641.db2.gz HXGFAGVDCSQETL-GFCCVEGCSA-N 0 0 296.392 1.605 50 0 CDAARN COc1ccc(CNC(=O)C2CCN(C(C)=O)CC2)cc1 ZINC000006725953 170232935 /nfs/dbraw/zinc/23/29/35/170232935.db2.gz LGSLNGIDSGNQDA-UHFFFAOYSA-N 0 0 290.363 1.570 50 0 CDAARN CC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000006726329 170233125 /nfs/dbraw/zinc/23/31/25/170233125.db2.gz MTIYYTPSAPALRC-UHFFFAOYSA-N 0 0 281.743 1.932 50 0 CDAARN Cc1nn(C)cc1S(=O)(=O)NCCc1ccc(F)cc1 ZINC000006740976 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CN1CCN(C(=O)CCOc2ccc(F)cc2)CC1 ZINC000036625116 362792566 /nfs/dbraw/zinc/79/25/66/362792566.db2.gz MHYSTNCACXVFCT-UHFFFAOYSA-N 0 0 266.316 1.369 50 0 CDAARN Cc1nnsc1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000036621536 362789525 /nfs/dbraw/zinc/78/95/25/362789525.db2.gz CENFYMOHFJYPMW-UHFFFAOYSA-N 0 0 286.320 1.680 50 0 CDAARN COc1ccc(=O)n(C[C@@H](O)CCc2ccccc2)n1 ZINC000193115534 362804381 /nfs/dbraw/zinc/80/43/81/362804381.db2.gz BGGOXZVRJNNGSY-ZDUSSCGKSA-N 0 0 274.320 1.246 50 0 CDAARN CCC12CN3CC(CC)(CN(C1)C3C(C)C)C2O ZINC000019330043 282530844 /nfs/dbraw/zinc/53/08/44/282530844.db2.gz BTZILEOKWJEKCX-UHFFFAOYSA-N 0 0 252.402 1.767 50 0 biogenic CDAARN CC(C)c1cc(=O)n(CC(=O)NCCc2ccccc2)cn1 ZINC000036703834 362835280 /nfs/dbraw/zinc/83/52/80/362835280.db2.gz SSQJSNHPXBHZEG-UHFFFAOYSA-N 0 0 299.374 1.726 50 0 CDAARN CN(C)C(=O)[C@@H]1CC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000386112540 347714719 /nfs/dbraw/zinc/71/47/19/347714719.db2.gz LSKOADYNXKBDTP-GMTAPVOTSA-N 0 0 286.372 1.129 50 0 CDAARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N1CCCC1 ZINC000102265793 362921442 /nfs/dbraw/zinc/92/14/42/362921442.db2.gz ZIMWGEICKIUERV-VXGBXAGGSA-N 0 0 278.352 1.174 50 0 CDAARN Cn1c2nnc(S)n2c2sc3c(c2c1=O)CCC3 ZINC000005982143 282611294 /nfs/dbraw/zinc/61/12/94/282611294.db2.gz MSZPEVVELOSOQV-UHFFFAOYSA-N 0 0 278.362 1.420 50 0 CDAARN O=C(CN1CCC(O)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000012884088 348518718 /nfs/dbraw/zinc/51/87/18/348518718.db2.gz XXFWDBSGTQINNB-UHFFFAOYSA-N 0 0 292.423 1.528 50 0 CDAARN COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1c[nH]nc1C ZINC000088362761 179584361 /nfs/dbraw/zinc/58/43/61/179584361.db2.gz AFLCEFUUSHKIAC-JQWIXIFHSA-N 0 0 279.340 1.570 50 0 CDAARN O=C(NCCc1nc2ccccc2s1)N1CCOCC1 ZINC000053909535 348747882 /nfs/dbraw/zinc/74/78/82/348747882.db2.gz HQQLBJIRGDYANR-UHFFFAOYSA-N 0 0 291.376 1.881 50 0 CDAARN COc1c2c(ccc1Br)N(C)C(=O)C2 ZINC000114515943 348749291 /nfs/dbraw/zinc/74/92/91/348749291.db2.gz XGSREMVJXLXAHR-UHFFFAOYSA-N 0 0 256.099 1.977 50 0 CDAARN Cc1ccc(/C=C\C(=O)NC[C@]2(O)CCSC2)o1 ZINC000104245627 185942147 /nfs/dbraw/zinc/94/21/47/185942147.db2.gz WEMJKXZDERMMJR-DSYXLKISSA-N 0 0 267.350 1.585 50 0 CDAARN CN1C(=O)C[C@@H](N2CCc3c4ccccc4[nH]c3C2)C1=O ZINC000079192003 282634120 /nfs/dbraw/zinc/63/41/20/282634120.db2.gz DOJKHRZYMYCTBG-CQSZACIVSA-N 0 0 283.331 1.283 50 0 biogenic CDAARN Cc1cc(CNc2cc(N3CCC[C@@H]3CO)ncn2)on1 ZINC000112076751 349233782 /nfs/dbraw/zinc/23/37/82/349233782.db2.gz UUNORTXZAOHQBQ-LLVKDONJSA-N 0 0 289.339 1.346 50 0 CDAARN CCNC(=O)N1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000089977448 179896634 /nfs/dbraw/zinc/89/66/34/179896634.db2.gz AFTMDIIMZBLGQD-UHFFFAOYSA-N 0 0 290.367 1.874 50 0 CDAARN CCCOC[C@@H]1CCN(C(=O)c2cncc(O)c2)C1 ZINC000584896084 349357211 /nfs/dbraw/zinc/35/72/11/349357211.db2.gz SGXSDANIDNBUMY-LLVKDONJSA-N 0 0 264.325 1.676 50 0 CDAARN O=C(NOCC(F)(F)F)c1ccnc(C2CC2)n1 ZINC000089884861 179875804 /nfs/dbraw/zinc/87/58/04/179875804.db2.gz KVUBMHZYGVULAE-UHFFFAOYSA-N 0 0 261.203 1.578 50 0 CDAARN O=C(CCCn1cncn1)N[C@@H]1CC(=O)Nc2ccccc21 ZINC000584884473 349342522 /nfs/dbraw/zinc/34/25/22/349342522.db2.gz WOJJEUNSOKSNCK-CYBMUJFWSA-N 0 0 299.334 1.258 50 0 CDAARN Cc1nonc1CNC(=O)[C@@H](C)n1ccnc1C(C)C ZINC000584897155 349358215 /nfs/dbraw/zinc/35/82/15/349358215.db2.gz MXPYWHMMCQLMTI-SNVBAGLBSA-N 0 0 277.328 1.575 50 0 CDAARN CC(C)(O)C1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000584896960 349358226 /nfs/dbraw/zinc/35/82/26/349358226.db2.gz DGAJHURALJYDLQ-LLVKDONJSA-N 0 0 255.358 1.423 50 0 CDAARN CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1cncc(=O)[nH]1)=CC2 ZINC000584886814 349345508 /nfs/dbraw/zinc/34/55/08/349345508.db2.gz SGTIZVVYQWZNCK-RYUDHWBXSA-N 0 0 287.363 1.882 50 0 CDAARN CCc1nccn1CCC(=O)NCc1cc(C2CC2)n[nH]1 ZINC000584887575 349345615 /nfs/dbraw/zinc/34/56/15/349345615.db2.gz ANTXRYOVKYVXIK-UHFFFAOYSA-N 0 0 287.367 1.753 50 0 CDAARN CCOCC1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC000584889669 349348855 /nfs/dbraw/zinc/34/88/55/349348855.db2.gz KETWATGSBAGNKP-UHFFFAOYSA-N 0 0 252.318 1.002 50 0 CDAARN CCCn1nccc1C(=O)N(C)Cc1nncn1CC ZINC000584890114 349349572 /nfs/dbraw/zinc/34/95/72/349349572.db2.gz WTOXWYSYSBYMME-UHFFFAOYSA-N 0 0 276.344 1.177 50 0 CDAARN Cc1cccnc1C[C@H](C)NC(=O)c1csc(N)n1 ZINC000584891691 349351189 /nfs/dbraw/zinc/35/11/89/349351189.db2.gz GRYPOVKJWQXFDD-VIFPVBQESA-N 0 0 276.365 1.620 50 0 CDAARN Cc1nc(CC(=O)NCCc2nc(C)cc(=O)[nH]2)cs1 ZINC000584892684 349351992 /nfs/dbraw/zinc/35/19/92/349351992.db2.gz GONBLRPALSXFMB-UHFFFAOYSA-N 0 0 292.364 1.157 50 0 CDAARN CC[C@H](c1cc(C)ccn1)n1cnc2nccnc2c1=O ZINC000584893542 349353686 /nfs/dbraw/zinc/35/36/86/349353686.db2.gz KGCYZTUNKAQICC-GFCCVEGCSA-N 0 0 281.319 1.889 50 0 CDAARN CC[C@@H](NC(=O)c1cn[nH]n1)c1nc2cc(C)ccc2[nH]1 ZINC000584895302 349355834 /nfs/dbraw/zinc/35/58/34/349355834.db2.gz YGTVHLKFLYWSDG-SECBINFHSA-N 0 0 284.323 1.871 50 0 CDAARN COC(=O)C1(C(=O)OC)CCC(=O)C[C@@H]1c1ccccc1 ZINC000001425874 290879989 /nfs/dbraw/zinc/87/99/89/290879989.db2.gz VHBXGSSDKJMQAM-CYBMUJFWSA-N 0 0 290.315 1.856 50 0 CDAARN COc1ccnc(NC(=O)c2ccc(-n3cnnc3)cc2)c1 ZINC000089987260 179900429 /nfs/dbraw/zinc/90/04/29/179900429.db2.gz UOTIDILMPKYROD-UHFFFAOYSA-N 0 0 295.302 1.923 50 0 CDAARN CC(C)c1csc(C(=O)N2CCCNC(=O)C2)n1 ZINC000584899442 349361526 /nfs/dbraw/zinc/36/15/26/349361526.db2.gz RYJGIRGQADLEPT-UHFFFAOYSA-N 0 0 267.354 1.229 50 0 CDAARN COc1ccc(C)cc1-n1c(COC(C)C)n[nH]c1=O ZINC000065370813 362947276 /nfs/dbraw/zinc/94/72/76/362947276.db2.gz BCMVGDDPXGVFOU-UHFFFAOYSA-N 0 0 277.324 1.803 50 0 CDAARN CC(C)[C@H](Cn1nccn1)NC(=O)COc1ccccc1 ZINC000238863691 362949767 /nfs/dbraw/zinc/94/97/67/362949767.db2.gz LGRCYVOHXKRDOI-AWEZNQCLSA-N 0 0 288.351 1.498 50 0 CDAARN CC1(C)CN(C(=O)c2ccn(C(F)F)n2)CC[C@]1(C)O ZINC000091305628 180131250 /nfs/dbraw/zinc/13/12/50/180131250.db2.gz DCYMVFOSHWGHLG-ZDUSSCGKSA-N 0 0 287.310 1.901 50 0 CDAARN c1nc(CCn2cc(COCc3ccccc3)nn2)c[nH]1 ZINC000091441510 180156953 /nfs/dbraw/zinc/15/69/53/180156953.db2.gz FAXCWLOOHMCTEN-UHFFFAOYSA-N 0 0 283.335 1.961 50 0 CDAARN COc1cccc(S(=O)(=O)N2C[C@@H](C)[C@@](C)(O)C2)c1 ZINC000091444657 180157064 /nfs/dbraw/zinc/15/70/64/180157064.db2.gz ZATLLXJXTUDAJU-MFKMUULPSA-N 0 0 285.365 1.087 50 0 CDAARN O=C(C[C@@H]1CCc2ccccc21)NCCN1CCCC1=O ZINC000091621083 180208513 /nfs/dbraw/zinc/20/85/13/180208513.db2.gz TZEPJJPLBRFTQG-AWEZNQCLSA-N 0 0 286.375 1.845 50 0 CDAARN CC[C@@H]1CN([C@H](C)c2nc(N)nc(N(C)C)n2)CCS1 ZINC000110646403 350228999 /nfs/dbraw/zinc/22/89/99/350228999.db2.gz YEBKQWUTSHQSQV-NXEZZACHSA-N 0 0 296.444 1.408 50 0 CDAARN CCc1nc(N2C[C@@H](C)[C@](O)(C3CC3)C2)ncc1C ZINC000091706525 180230193 /nfs/dbraw/zinc/23/01/93/180230193.db2.gz AHJGGXSEPXCPLX-ABAIWWIYSA-N 0 0 261.369 1.945 50 0 CDAARN O=C1CC[C@@]2(CCOC2)CN1Cc1ncc2c(n1)CCC2 ZINC000091713051 180230699 /nfs/dbraw/zinc/23/06/99/180230699.db2.gz KENUZROOVKAEML-MRXNPFEDSA-N 0 0 287.363 1.494 50 0 CDAARN CCCOC[C@H]1CCN(C(=O)c2cnc(NCC)nc2)C1 ZINC000091793593 180257374 /nfs/dbraw/zinc/25/73/74/180257374.db2.gz CWNBIAXWIRSVCY-LBPRGKRZSA-N 0 0 292.383 1.797 50 0 CDAARN C[C@@H]1CN(C(=O)CCN2CCCCCC2=O)CC[C@]1(C)O ZINC000091746733 180245489 /nfs/dbraw/zinc/24/54/89/180245489.db2.gz CYYSIRNKHDFRIM-CJNGLKHVSA-N 0 0 296.411 1.399 50 0 CDAARN CO[C@@H]1CCCCC[C@H]1NC(=O)N[C@](C)(CO)C1CC1 ZINC000110685323 350262130 /nfs/dbraw/zinc/26/21/30/350262130.db2.gz CJFFBSBVNHBQKJ-UMVBOHGHSA-N 0 0 284.400 1.794 50 0 CDAARN CNC(=O)[C@@H](C)Cn1cc(-c2cc(F)cc(F)c2F)nn1 ZINC000091849254 180270817 /nfs/dbraw/zinc/27/08/17/180270817.db2.gz LXGXTEKKCWZAHM-ZETCQYMHSA-N 0 0 298.268 1.745 50 0 CDAARN CCOC(=O)N1CCN(C(=O)[C@H](CC)n2cccn2)CC1 ZINC000092096963 180323607 /nfs/dbraw/zinc/32/36/07/180323607.db2.gz RADNPJUBXCSQLY-LBPRGKRZSA-N 0 0 294.355 1.135 50 0 CDAARN Cn1ccnc1N1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000013693526 365960188 /nfs/dbraw/zinc/96/01/88/365960188.db2.gz LZKFOHWAAUJRBW-FPLPWBNLSA-N 0 0 296.374 1.782 50 0 CDAARN C[S@](=O)c1cccc(NC(=O)COC[C@@H]2CCCO2)c1 ZINC000113183325 350651629 /nfs/dbraw/zinc/65/16/29/350651629.db2.gz VWUZOANJXUNRCH-FKIZINRSSA-N 0 0 297.376 1.558 50 0 CDAARN CC(C)[C@H](CNS(C)(=O)=O)ONC(=O)OC(C)(C)C ZINC000583651962 366017821 /nfs/dbraw/zinc/01/78/21/366017821.db2.gz WDWHEPOPNQPMFL-VIFPVBQESA-N 0 0 296.389 1.017 50 0 CDAARN CC(=O)Nc1ccc(C(=O)N2CC(CF)C2)cc1 ZINC000390826091 351372097 /nfs/dbraw/zinc/37/20/97/351372097.db2.gz BHOUTXVXNOEKML-UHFFFAOYSA-N 0 0 250.273 1.687 50 0 CDAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)C1CCOCC1 ZINC000390827723 351372967 /nfs/dbraw/zinc/37/29/67/351372967.db2.gz JLMBBNOESFSKFV-AWEZNQCLSA-N 0 0 293.367 1.817 50 0 CDAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1c(O)cccc1F)C2 ZINC000122363971 187028455 /nfs/dbraw/zinc/02/84/55/187028455.db2.gz CBRVUHCADAPCEG-JTQLQIEISA-N 0 0 289.310 1.781 50 0 CDAARN O=C(N[C@H]1CCCCNC1=O)c1ccc2ccccc2n1 ZINC000034220619 363123507 /nfs/dbraw/zinc/12/35/07/363123507.db2.gz TZYHBSXOFGYNBH-ZDUSSCGKSA-N 0 0 283.331 1.633 50 0 CDAARN O=C(c1ccco1)N1CC[C@H](Oc2ccncc2)C1 ZINC000239593117 363314774 /nfs/dbraw/zinc/31/47/74/363314774.db2.gz DQAPNMGINQHJJJ-LBPRGKRZSA-N 0 0 258.277 1.968 50 0 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Cc1nn2c(nc(C)cc2NCCOCCO)c1C ZINC000072408382 176398312 /nfs/dbraw/zinc/39/83/12/176398312.db2.gz QLBDYOCDYFODNR-UHFFFAOYSA-N 0 0 264.329 1.075 50 0 CDAARN CC(=O)Oc1ccc(/C=C/C(N)=O)cc1OC(C)=O ZINC000077031632 177155904 /nfs/dbraw/zinc/15/59/04/177155904.db2.gz DUWHMOBTGPUYEL-GQCTYLIASA-N 0 0 263.249 1.036 50 0 biogenic CDAARN Cc1cn(CCn2ccnc2-c2cccnc2)nn1 ZINC000077387368 177262281 /nfs/dbraw/zinc/26/22/81/177262281.db2.gz BLIGKRVGCFAPNP-UHFFFAOYSA-N 0 0 254.297 1.545 50 0 CDAARN CCc1nccn1CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077406923 177264203 /nfs/dbraw/zinc/26/42/03/177264203.db2.gz KAQALTULCLBMDY-LBPRGKRZSA-N 0 0 287.367 1.575 50 0 CDAARN CC[C@H]1c2cccn2CCN1C(=O)COCCOC ZINC000077471063 177272585 /nfs/dbraw/zinc/27/25/85/177272585.db2.gz VLHSHSQHZOBENY-LBPRGKRZSA-N 0 0 266.341 1.444 50 0 CDAARN Cn1ccc2c1nccc2-c1ccc(NCCO)nn1 ZINC000077505433 177276395 /nfs/dbraw/zinc/27/63/95/177276395.db2.gz ZHYJSNUSRAYKGX-UHFFFAOYSA-N 0 0 269.308 1.435 50 0 CDAARN CCOCC(=O)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000078143841 177323454 /nfs/dbraw/zinc/32/34/54/177323454.db2.gz HRIHDOAUMXSSPB-AWEZNQCLSA-N 0 0 273.336 1.777 50 0 CDAARN O=C(N[C@@H](Cn1cccn1)c1ccccc1)c1cnccn1 ZINC000078144583 177323494 /nfs/dbraw/zinc/32/34/94/177323494.db2.gz GGACXBVOQSGJHF-HNNXBMFYSA-N 0 0 293.330 1.844 50 0 CDAARN CCc1c(C(=O)Nc2nncn2C)[nH]c(C)c1C(C)=O ZINC000097144229 544553295 /nfs/dbraw/zinc/55/32/95/544553295.db2.gz DBIGRYIHCXEUFU-UHFFFAOYSA-N 0 0 275.312 1.469 50 0 CDAARN CC[C@H](C(=O)[O-])[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000035232366 260016849 /nfs/dbraw/zinc/01/68/49/260016849.db2.gz AGAXWGJVBTYGDU-GFCCVEGCSA-N 0 0 279.336 1.925 50 0 CDAARN NC(=O)CC(=O)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000517815476 260308623 /nfs/dbraw/zinc/30/86/23/260308623.db2.gz VOGLXOMMHONURT-UHFFFAOYSA-N 0 0 278.274 1.633 50 0 CDAARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)C2=COCCO2)[C@@H]1C ZINC000004871316 261062740 /nfs/dbraw/zinc/06/27/40/261062740.db2.gz RKGRWEJCZRJLSA-UTUOFQBUSA-N 0 0 297.351 1.359 50 0 CDAARN CCOc1ccc(C(=O)NCc2[nH]nc3c2CCC3)o1 ZINC000219795213 262350396 /nfs/dbraw/zinc/35/03/96/262350396.db2.gz RXURCJWLPNXKPV-UHFFFAOYSA-N 0 0 275.308 1.820 50 0 CDAARN CN1C(=S)N=NC1CNC(=O)c1cccc2c1CCC2 ZINC000108894028 423819919 /nfs/dbraw/zinc/81/99/19/423819919.db2.gz PATWTZKZLYYGAY-UHFFFAOYSA-N 0 0 288.376 1.523 50 0 CDAARN Cc1ccc2ncccc2c1CNC(=O)c1c[nH]c(=O)cn1 ZINC000215882354 424584526 /nfs/dbraw/zinc/58/45/26/424584526.db2.gz SEGOGABGWJVNAU-UHFFFAOYSA-N 0 0 294.314 1.557 50 0 CDAARN CC[C@@H]1C[C@H]1C(=O)N[C@H]1Cc2ccccc2NC1=O ZINC000529945585 271073805 /nfs/dbraw/zinc/07/38/05/271073805.db2.gz PUUPOAZRRIBGKY-XWIASGKRSA-N 0 0 258.321 1.712 50 0 CDAARN O=c1c2nnc3ncnn3c2ccn1-c1cccc(Cl)c1 ZINC000067630801 275043412 /nfs/dbraw/zinc/04/34/12/275043412.db2.gz MPDGIUIHNLZGHI-UHFFFAOYSA-N 0 0 298.693 1.477 50 0 CDAARN CCCn1nc2c(c1C)[C@H](c1ncc[nH]1)CC(=O)N2 ZINC000065489951 276297612 /nfs/dbraw/zinc/29/76/12/276297612.db2.gz OQMJXRLLTSAOSY-SECBINFHSA-N 0 0 259.313 1.799 50 0 CDAARN CCn1c(=O)c2cc(Br)ccc2n(C)c1=O ZINC000010156782 276710484 /nfs/dbraw/zinc/71/04/84/276710484.db2.gz BKPIWAJKYJHSSS-UHFFFAOYSA-N 0 0 283.125 1.483 50 0 CDAARN CCn1c2sc3c(c2c(=O)[nH]c1=O)CC(C)(C)OC3 ZINC000015083609 276712884 /nfs/dbraw/zinc/71/28/84/276712884.db2.gz SOXSFKLXVVUGNG-UHFFFAOYSA-N 0 0 280.349 1.623 50 0 CDAARN CCn1cc([C@H]2CC(=O)Nc3c2nc2n3CCCC2)cn1 ZINC000067459682 276715371 /nfs/dbraw/zinc/71/53/71/276715371.db2.gz QUGPDGBMRZWWPW-LLVKDONJSA-N 0 0 285.351 1.910 50 0 CDAARN CC(=O)N[C@H]1c2cc(Br)ccc2N(C)C1=O ZINC000005050159 277061480 /nfs/dbraw/zinc/06/14/80/277061480.db2.gz RYRSYLBEXKGAGV-JTQLQIEISA-N 0 0 283.125 1.603 50 0 CDAARN CN1CCN(C(=O)[C@@H]2CCCO2)c2ccccc2C1 ZINC000089382883 277093505 /nfs/dbraw/zinc/09/35/05/277093505.db2.gz MNMUULTVQOLRLP-AWEZNQCLSA-N 0 0 260.337 1.644 50 0 CDAARN CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(C)(O)CC1 ZINC000190343420 277262766 /nfs/dbraw/zinc/26/27/66/277262766.db2.gz QLXWUUQNRRUEFJ-OLZOCXBDSA-N 0 0 298.427 1.994 50 0 CDAARN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000032819505 277344066 /nfs/dbraw/zinc/34/40/66/277344066.db2.gz OEHAFIOPKGOMQD-ZDUSSCGKSA-N 0 0 260.337 1.471 50 0 CDAARN CC(C)[C@@H](C(=O)N1CCO[C@H](C)C1)N1C[C@H](C)O[C@@H](C)C1 ZINC000248295748 277716638 /nfs/dbraw/zinc/71/66/38/277716638.db2.gz XCIPGCDUKDMRPF-QPSCCSFWSA-N 0 0 298.427 1.368 50 0 CDAARN CC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2cccc(O)c2)CC1 ZINC000095392325 278003650 /nfs/dbraw/zinc/00/36/50/278003650.db2.gz QXJRQLJGMYGEHQ-AWEZNQCLSA-N 0 0 292.335 1.072 50 0 CDAARN CS[C@]1(NC#N)NCCc2c3cc(F)ccc3[nH]c21 ZINC000095100170 278169089 /nfs/dbraw/zinc/16/90/89/278169089.db2.gz TXDRKEAAHURGHQ-ZDUSSCGKSA-N 0 0 276.340 1.997 50 0 CDAARN CC(C)(C)OC(=O)N1CCC2(C[C@@H](O)CO2)CC1 ZINC000016697189 278384437 /nfs/dbraw/zinc/38/44/37/278384437.db2.gz HCDWHGFENXBNSC-SNVBAGLBSA-N 0 0 257.330 1.537 50 0 CDAARN CCCNC(=S)NN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000007679180 278839319 /nfs/dbraw/zinc/83/93/19/278839319.db2.gz VDKASCLVFDPMLZ-UHFFFAOYSA-N 0 0 298.412 1.276 50 0 CDAARN Cc1nc(N)ncc1C(=O)Nc1cnc2n1CCCC2 ZINC000067642298 279088745 /nfs/dbraw/zinc/08/87/45/279088745.db2.gz LPTDCKBBCOEJAE-UHFFFAOYSA-N 0 0 272.312 1.152 50 0 CDAARN O=C(N1CCNC(=O)C1)C1(c2cccc(Cl)c2)CC1 ZINC000032776911 279139251 /nfs/dbraw/zinc/13/92/51/279139251.db2.gz AIORWDAYXPNTJN-UHFFFAOYSA-N 0 0 278.739 1.330 50 0 CDAARN Cc1nccn1CCCN1C(=O)OC(C)(C)[C@]1(C)O ZINC000000108966 279170847 /nfs/dbraw/zinc/17/08/47/279170847.db2.gz VTGYVFZLCGOEST-ZDUSSCGKSA-N 0 0 267.329 1.521 50 0 CDAARN NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O ZINC000005865623 279563806 /nfs/dbraw/zinc/56/38/06/279563806.db2.gz ARZPKFXODDYSJX-QMMMGPOBSA-N 0 0 256.714 1.628 50 0 CDAARN NC(=O)c1nnn2c1CO[C@@H](c1ccccc1Cl)C2 ZINC000221634115 279612574 /nfs/dbraw/zinc/61/25/74/279612574.db2.gz CUCWANYRVPXIFX-SNVBAGLBSA-N 0 0 278.699 1.302 50 0 CDAARN CCS(=O)(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000206770221 280011479 /nfs/dbraw/zinc/01/14/79/280011479.db2.gz CVDWUBPINDUKNQ-UHFFFAOYSA-N 0 0 295.360 1.498 50 0 CDAARN Cc1c(-c2nn3c(nnc3C(F)(F)F)s2)cnn1C ZINC000061719497 280196615 /nfs/dbraw/zinc/19/66/15/280196615.db2.gz FDWNLSBCFVFAJF-UHFFFAOYSA-N 0 0 288.258 1.914 50 0 CDAARN O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1 ZINC000012504504 280278114 /nfs/dbraw/zinc/27/81/14/280278114.db2.gz SQWZFLMPDUSYGV-POHAHGRESA-N 0 0 257.274 1.954 50 0 in-vivo CDAARN c1ccc2c(c1)N[C@H](c1ccncc1)n1nnnc1-2 ZINC000004710721 280491731 /nfs/dbraw/zinc/49/17/31/280491731.db2.gz SAJBMQKQKJYYPZ-LBPRGKRZSA-N 0 0 250.265 1.708 50 0 CDAARN Cc1cc(N2CCC3(COC(=O)O3)CC2)n2nccc2n1 ZINC000072426629 280547675 /nfs/dbraw/zinc/54/76/75/280547675.db2.gz FKZAZJQNUNQSRW-UHFFFAOYSA-N 0 0 288.307 1.544 50 0 CDAARN CC[C@H]1CN(c2nn3c(nc(C)cc3=O)s2)CCO1 ZINC000089949273 281183071 /nfs/dbraw/zinc/18/30/71/281183071.db2.gz UMVDPICVFPFDTC-VIFPVBQESA-N 0 0 280.353 1.075 50 0 CDAARN Cc1cccc(S(=O)(=O)N2CCNC[C@@H]2C)c1F ZINC000193247942 281251350 /nfs/dbraw/zinc/25/13/50/281251350.db2.gz DKJNPCUCLDCFEU-JTQLQIEISA-N 0 0 272.345 1.117 50 0 CDAARN CC1(C)C[C@@H]1C(=O)N[C@H]1COc2ccccc2C1=O ZINC000096492979 281327032 /nfs/dbraw/zinc/32/70/32/281327032.db2.gz BGTITRVLJOTNKI-MNOVXSKESA-N 0 0 259.305 1.793 50 0 CDAARN CC[C@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000000040037 281351333 /nfs/dbraw/zinc/35/13/33/281351333.db2.gz OPUPISBKAYEIBC-SNVBAGLBSA-N 0 0 256.099 1.999 50 0 CDAARN Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(C)nc1)C2 ZINC000097199174 281536883 /nfs/dbraw/zinc/53/68/83/281536883.db2.gz AFAJJIXYBSEDEJ-ZDUSSCGKSA-N 0 0 270.336 1.640 50 0 CDAARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccc(O)c2)N1 ZINC000000304736 281698757 /nfs/dbraw/zinc/69/87/57/281698757.db2.gz MXFNXMKLVYXZOR-NSHDSACASA-N 0 0 288.225 1.865 50 0 CDAARN CN(C)C(=[NH2+])c1[n-]nnc1SCc1ccccc1 ZINC000004116080 281898472 /nfs/dbraw/zinc/89/84/72/281898472.db2.gz HPQBNEWIILZGOM-UHFFFAOYSA-N 0 0 261.354 1.984 50 0 CDAARN C[C@@H]1OCC[C@H]1C(=O)N1CCSC[C@H]1c1cnn(C)c1 ZINC000252510722 288907725 /nfs/dbraw/zinc/90/77/25/288907725.db2.gz ZPBMPEPIXHIHKF-UHTWSYAYSA-N 0 0 295.408 1.462 50 0 CDAARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCOCC1 ZINC000000234140 288932110 /nfs/dbraw/zinc/93/21/10/288932110.db2.gz KHZHGDWXNMMXHF-GWCFXTLKSA-N 0 0 263.293 1.074 50 0 CDAARN C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000245227007 289218419 /nfs/dbraw/zinc/21/84/19/289218419.db2.gz WCFFSIHYUQAEPU-KBNOKHGBSA-N 0 0 299.282 1.248 50 0 CDAARN CNC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000000306118 290353884 /nfs/dbraw/zinc/35/38/84/290353884.db2.gz YKJWQLSYTFYXRU-NSHDSACASA-N 0 0 279.727 1.714 50 0 CDAARN CNC(=O)CCN(C)C(=O)[C@H](c1ccc(C)cc1)N(C)C ZINC000091536502 290395422 /nfs/dbraw/zinc/39/54/22/290395422.db2.gz NOLICOQCEJIVKC-HNNXBMFYSA-N 0 0 291.395 1.192 50 0 CDAARN Cc1cn2c(nc3c2c(=O)n(CCC(C)C)c(=O)n3C)o1 ZINC000006660363 292854823 /nfs/dbraw/zinc/85/48/23/292854823.db2.gz KDVPHETVNOXBPK-UHFFFAOYSA-N 0 0 290.323 1.295 50 0 CDAARN COC[C@H](C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000016474387 293033106 /nfs/dbraw/zinc/03/31/06/293033106.db2.gz LRXPVYSSMNQNSG-QCZZGDTMSA-N 0 0 269.341 1.259 50 0 CDAARN CC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000572112234 294558260 /nfs/dbraw/zinc/55/82/60/294558260.db2.gz XFQNCNJXIKNSDD-NWDGAFQWSA-N 0 0 266.341 1.015 50 0 CDAARN COc1cc2c(cc1OC)C(=O)NCC(C)(C)O2 ZINC000000160987 295037563 /nfs/dbraw/zinc/03/75/63/295037563.db2.gz SPWWAGPHPLQOBU-UHFFFAOYSA-N 0 0 251.282 1.605 50 0 CDAARN COc1cc2c(cc1OC)[C@@](O)(c1ccc(C)cc1)NC2=O ZINC000030822819 295041525 /nfs/dbraw/zinc/04/15/25/295041525.db2.gz QVJPRHVAJFRADG-KRWDZBQOSA-N 0 0 299.326 1.949 50 0 CDAARN COc1ccc([C@@H]2NC(=S)N(C)C(C)=C2C(N)=O)cc1 ZINC000016740783 295228183 /nfs/dbraw/zinc/22/81/83/295228183.db2.gz IVEZUJMNGUBFTD-LBPRGKRZSA-N 0 0 291.376 1.316 50 0 CDAARN Nc1nc(Cl)c(I)c(Cl)n1 ZINC000203270762 295366777 /nfs/dbraw/zinc/36/67/77/295366777.db2.gz IQVQQIGQOSEIAX-UHFFFAOYSA-N 0 0 289.891 1.970 50 0 CDAARN Cc1c(S(=O)(=O)c2ccc(C)cc2)cnn1C ZINC000252497321 300989958 /nfs/dbraw/zinc/98/99/58/300989958.db2.gz 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