smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-n2c3nnc(SCC(=O)N[C@H](C(=O)[O-])C(C)C)n3c3ccccc3c2=O)cc1 ZINC000003448070 194327889 /nfs/dbraw/zinc/32/78/89/194327889.db2.gz YCAAXKGVMBHYLQ-IBGZPJMESA-N -1 0 465.535 2.659 40 0 JFABRM CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N(CC(=O)[O-])C1Cc2ccccc2C1 ZINC000003872228 194365615 /nfs/dbraw/zinc/36/56/15/194365615.db2.gz WOUOLAUOZXOLJQ-JPYJTQIMSA-N -1 0 452.551 2.610 40 0 JFABRM CCn1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1 ZINC000004410327 194389278 /nfs/dbraw/zinc/38/92/78/194389278.db2.gz DGJFFCHPEZHJML-UHFFFAOYSA-N -1 0 490.611 2.726 40 0 JFABRM COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c1OCC(=O)[O-] ZINC000009234108 194620192 /nfs/dbraw/zinc/62/01/92/194620192.db2.gz ZHLAJKOFLRIDSQ-REZTVBANSA-N -1 0 486.458 2.562 40 0 JFABRM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccsc4)cc3C(=O)N2C1 ZINC000012604331 195049248 /nfs/dbraw/zinc/04/92/48/195049248.db2.gz ZOVHQIZFZZQYOR-YJBOKZPZSA-N -1 0 455.536 2.958 40 0 biogenic,in-vitro JFABRM CCOC(=O)c1c2c(sc1NC(=O)CSC1=NC(=O)C(NC(C)=O)C([O-])=N1)CCCCC2 ZINC000020168348 521416838 /nfs/dbraw/zinc/41/68/38/521416838.db2.gz OEROCBBQDPGPRZ-UHFFFAOYSA-N -1 0 480.568 2.672 40 0 JFABRM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000020489943 521849448 /nfs/dbraw/zinc/84/94/48/521849448.db2.gz XBAZOTYPNZTLCV-UHFFFAOYSA-N -1 0 488.591 2.850 40 0 JFABRM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000020488895 524259760 /nfs/dbraw/zinc/25/97/60/524259760.db2.gz YKBDOQNJUJIKOK-INIZCTEOSA-N -1 0 474.564 2.676 40 0 JFABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCN(c4ccccn4)CC3)cc2)n1 ZINC000004389312 524591079 /nfs/dbraw/zinc/59/10/79/524591079.db2.gz GNICABJUUAADHY-UHFFFAOYSA-N -1 0 483.623 2.808 40 0 JFABRM COc1ccc([C@@H]2CC(c3ccccc3)=NN2[C@@H]2NC(=O)[C@H]([C@H]3SC(=O)[N-]C3=O)S2)cc1 ZINC000035053105 525241160 /nfs/dbraw/zinc/24/11/60/525241160.db2.gz CLOVYWLAWYKJIL-UGNRZPKXSA-N -1 0 468.560 2.713 40 0 JFABRM O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000020458797 526982359 /nfs/dbraw/zinc/98/23/59/526982359.db2.gz IUSOURIFPFYSAF-UHFFFAOYSA-N -1 0 472.548 2.810 40 0 JFABRM O=c1[n-]n([C@@H]2CC=C3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3C2)c(=O)n1Cc1ccccc1 ZINC000016481013 527109788 /nfs/dbraw/zinc/10/97/88/527109788.db2.gz AFCVDCIHRMMUOC-GUDVDZBRSA-N -1 0 450.882 2.759 40 0 JFABRM O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000020456305 527189978 /nfs/dbraw/zinc/18/99/78/527189978.db2.gz BZJTWMNXJYDRPW-UHFFFAOYSA-N -1 0 483.369 2.982 40 0 JFABRM COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCC(=O)[O-] ZINC000008812383 554693564 /nfs/dbraw/zinc/69/35/64/554693564.db2.gz ZHCFBJIVZAIXQS-DNTJNYDQSA-N -1 0 472.210 2.666 40 0 JFABRM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000013544431 555489491 /nfs/dbraw/zinc/48/94/91/555489491.db2.gz ZBAUSFDBAKHCHV-NYVOZVTQSA-N -1 0 483.565 2.644 40 0 JFABRM COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2)[C@H](OC(=O)c2cccc(C)c2)C(=O)[O-])nn1 ZINC000009973912 555576211 /nfs/dbraw/zinc/57/62/11/555576211.db2.gz WGMRPRYKNBPGLZ-RTWAWAEBSA-N -1 0 493.472 2.576 40 0 JFABRM CS(=O)(=O)CC[C@H](C(=O)[O-])N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000020275152 555750017 /nfs/dbraw/zinc/75/00/17/555750017.db2.gz CMEIJHOSDJSWSM-MRXNPFEDSA-N -1 0 482.308 2.725 40 0 JFABRM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 ZINC000024259959 556127836 /nfs/dbraw/zinc/12/78/36/556127836.db2.gz FPCSJNFPSRKQMU-UHFFFAOYSA-N -1 0 452.554 2.839 40 0 JFABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)c1 ZINC000026117098 556246973 /nfs/dbraw/zinc/24/69/73/556246973.db2.gz RSDMIPGXUOAONU-UHFFFAOYSA-N -1 0 452.554 2.699 40 0 JFABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)n1 ZINC000030755283 556372894 /nfs/dbraw/zinc/37/28/94/556372894.db2.gz FPNVQBKIGMNVFZ-UHFFFAOYSA-N -1 0 495.970 2.863 40 0 JFABRM COC(=O)c1cc(OC)cc(OC)c1C(=O)c1c([O-])c2c(cc1OC)O[C@@]1(C)O[C@@H]2CC[C@H]1O ZINC000225456892 560043565 /nfs/dbraw/zinc/04/35/65/560043565.db2.gz XKQFWJXMPAGPGP-UYEWZUNWSA-N -1 0 474.462 2.757 40 0 biogenic,in-vitro JFABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)nn1 ZINC000008690291 562953780 /nfs/dbraw/zinc/95/37/80/562953780.db2.gz KTELXNWVZGFTBL-UHFFFAOYSA-N -1 0 461.500 2.552 40 0 JFABRM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4c(c3)OCO4)cc2)s1 ZINC000054360554 569590046 /nfs/dbraw/zinc/59/00/46/569590046.db2.gz WLTNFHIKIVVRCB-UHFFFAOYSA-N -1 0 462.509 2.648 40 0 JFABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@H](C)C(=O)[O-])c([N+](=O)[O-])c3)C2=O)o1 ZINC000035104113 569674832 /nfs/dbraw/zinc/67/48/32/569674832.db2.gz DDLLAZJOSVRKSB-JHFYRWCBSA-N -1 0 493.812 2.573 40 0 JFABRM COc1ccc(-n2c(NCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])nc3ccccc3c2=O)cc1 ZINC000070503720 569695383 /nfs/dbraw/zinc/69/53/83/569695383.db2.gz JJTWJNDVFZMTBK-QFIPXVFZSA-N -1 0 472.501 2.618 40 0 JFABRM C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000100773203 569769574 /nfs/dbraw/zinc/76/95/74/569769574.db2.gz NHTYZBCBARXSMU-FFGOWVMKSA-N -1 0 475.586 2.634 40 0 JFABRM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000100776036 569769691 /nfs/dbraw/zinc/76/96/91/569769691.db2.gz PYWOGPFZMJSBBH-OYSTVDSJSA-N -1 0 467.607 2.924 40 0 JFABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000038755460 569807187 /nfs/dbraw/zinc/80/71/87/569807187.db2.gz YVFDHCVDDRNUCJ-UHFFFAOYSA-N -1 0 451.508 2.652 40 0 JFABRM O=C([O-])c1cnc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1NCc1ccccc1 ZINC000049469938 569848119 /nfs/dbraw/zinc/84/81/19/569848119.db2.gz SRHABQBRSYJGOO-UHFFFAOYSA-N -1 0 482.562 2.593 40 0 JFABRM C[C@@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118913700 569862904 /nfs/dbraw/zinc/86/29/04/569862904.db2.gz RFDAIACWWDREDC-WFMGBNTASA-N -1 0 465.631 2.565 40 0 JFABRM CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000143126723 569867656 /nfs/dbraw/zinc/86/76/56/569867656.db2.gz UDJYYMGGMVDGHK-OAHLLOKOSA-N -1 0 497.577 2.890 40 0 JFABRM CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)[O-])C1=O ZINC000205706505 569874202 /nfs/dbraw/zinc/87/42/02/569874202.db2.gz FHDBZNJWJFMTSU-AWNIVKPZSA-N -1 0 458.286 2.900 40 0 JFABRM COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000205733757 569874219 /nfs/dbraw/zinc/87/42/19/569874219.db2.gz JWBJKSRJBVWPSK-AWNIVKPZSA-N -1 0 488.312 2.909 40 0 JFABRM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1)S(C)(=O)=O ZINC000216328439 569878342 /nfs/dbraw/zinc/87/83/42/569878342.db2.gz IPKRBVNNFSKMON-UHFFFAOYSA-N -1 0 474.564 2.921 40 0 JFABRM O=C([O-])[C@H]1CC[C@H](CNC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000217477960 569880091 /nfs/dbraw/zinc/88/00/91/569880091.db2.gz ZIMQAIQBTNFMDR-MFEFFIJZSA-N -1 0 488.544 2.962 40 0 JFABRM COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2NC[C@H]2CCCO2)cc1OC ZINC000217490999 569880113 /nfs/dbraw/zinc/88/01/13/569880113.db2.gz KUGOLJXPKOBRGH-QGZVFWFLSA-N -1 0 464.540 2.514 40 0 JFABRM CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccc(OC)c(OC)c1 ZINC000217508682 569880144 /nfs/dbraw/zinc/88/01/44/569880144.db2.gz KVEYRYFKYLLZAG-UHFFFAOYSA-N -1 0 466.556 2.762 40 0 JFABRM O=C([O-])CCCCCN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccnc1 ZINC000217610591 569880565 /nfs/dbraw/zinc/88/05/65/569880565.db2.gz VODJFQRTEAQHSN-WOSXMNRGSA-N -1 0 499.614 2.950 40 0 JFABRM COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)s1 ZINC000222780069 569890918 /nfs/dbraw/zinc/89/09/18/569890918.db2.gz BKKYLZPPSWAFBR-UHFFFAOYSA-N -1 0 476.627 2.920 40 0 JFABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3nc(-c4ccccc4)no3)s2)cc1 ZINC000223179389 569902238 /nfs/dbraw/zinc/90/22/38/569902238.db2.gz PRGUMHDPFSNGEX-UHFFFAOYSA-N -1 0 456.509 2.627 40 0 JFABRM O=C(Nc1nnc(S(=O)(=O)[N-]CCCn2ccnc2)s1)c1ccc(Cl)cc1Cl ZINC000223277082 569905899 /nfs/dbraw/zinc/90/58/99/569905899.db2.gz FUVNTEOWOZLVJL-UHFFFAOYSA-N -1 0 461.356 2.662 40 0 JFABRM CCn1c2cc(C)c(S(=O)(=O)[N-]c3cc(OC)c(OC)cc3C(=O)OC)cc2oc1=O ZINC000223358650 569908551 /nfs/dbraw/zinc/90/85/51/569908551.db2.gz FBXDYIHDLLTVRA-UHFFFAOYSA-N -1 0 450.469 2.527 40 0 JFABRM O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1)c1ccc(Cl)cc1 ZINC000223448279 569911716 /nfs/dbraw/zinc/91/17/16/569911716.db2.gz OQEXMENODXMMDB-UHFFFAOYSA-N -1 0 452.901 2.651 40 0 JFABRM Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3cccc(N4CCCC4=O)c3)s2)cc1 ZINC000223726517 569921299 /nfs/dbraw/zinc/92/12/99/569921299.db2.gz KEXSNQKHNQARAE-UHFFFAOYSA-N -1 0 471.564 2.704 40 0 JFABRM COc1ccc(CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC ZINC000223753177 569922156 /nfs/dbraw/zinc/92/21/56/569922156.db2.gz PCVNVUUBZZSAIJ-UHFFFAOYSA-N -1 0 462.553 2.719 40 0 JFABRM Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccc(CN4CCCC4=O)cc3)s2)c1 ZINC000224122728 569933859 /nfs/dbraw/zinc/93/38/59/569933859.db2.gz HGSQSDIILJQPKJ-UHFFFAOYSA-N -1 0 485.591 2.700 40 0 JFABRM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3nnc(NC(=O)c4ccc(C)cc4)s3)n2)cc1 ZINC000224185208 569935653 /nfs/dbraw/zinc/93/56/53/569935653.db2.gz ZGYXTOFEBPXBTR-UHFFFAOYSA-N -1 0 486.535 2.636 40 0 JFABRM COc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 ZINC000224262515 569938515 /nfs/dbraw/zinc/93/85/15/569938515.db2.gz JNYJXAIESXALIU-CQSZACIVSA-N -1 0 462.553 2.853 40 0 JFABRM COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1OC ZINC000224276083 569938966 /nfs/dbraw/zinc/93/89/66/569938966.db2.gz SAQSBHAHMOHFKZ-UHFFFAOYSA-N -1 0 455.540 2.621 40 0 JFABRM CN(CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000224411129 569943765 /nfs/dbraw/zinc/94/37/65/569943765.db2.gz YMGFNHRKDSRJMP-UHFFFAOYSA-N -1 0 451.961 2.859 40 0 JFABRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000224519093 569947052 /nfs/dbraw/zinc/94/70/52/569947052.db2.gz KJSHAFWWPATYGS-UHFFFAOYSA-N -1 0 498.623 2.957 40 0 JFABRM COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000224950651 569964617 /nfs/dbraw/zinc/96/46/17/569964617.db2.gz ZKAMYYGVCZMLAL-UHFFFAOYSA-N -1 0 489.579 2.666 40 0 JFABRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 ZINC000408601378 569969022 /nfs/dbraw/zinc/96/90/22/569969022.db2.gz GEEICKPEUHWKEV-AWEZNQCLSA-N -1 0 454.932 2.776 40 0 JFABRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 ZINC000408608525 569971868 /nfs/dbraw/zinc/97/18/68/569971868.db2.gz RGPCFBZBHLSOBG-OAHLLOKOSA-N -1 0 494.566 2.831 40 0 JFABRM COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000225068190 569973126 /nfs/dbraw/zinc/97/31/26/569973126.db2.gz XSVHCENWOHVTJC-UHFFFAOYSA-N -1 0 489.579 2.666 40 0 JFABRM 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O=c1c2c([n-]n1-c1nc3ccccc3s1)[nH]c(CSc1nnnn1-c1ccccc1)cc2=O ZINC000014607070 555835969 /nfs/dbraw/zinc/83/59/69/555835969.db2.gz HCBYVLRROWRKQZ-UHFFFAOYSA-N -1 0 474.531 2.885 40 0 JFABRM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(Cl)c1 ZINC000030862185 556382127 /nfs/dbraw/zinc/38/21/27/556382127.db2.gz YLOCZROGUNZVPO-UHFFFAOYSA-N -1 0 481.943 2.555 40 0 JFABRM COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)COCC(=O)[O-])C=C2C)cc1 ZINC000030880720 556386454 /nfs/dbraw/zinc/38/64/54/556386454.db2.gz AFOSCHWSLFJUIC-ONTIZHBOSA-N -1 0 460.571 2.774 40 0 biogenic,in-vitro JFABRM O=C([O-])CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCCC2 ZINC000032594746 556449098 /nfs/dbraw/zinc/44/90/98/556449098.db2.gz MVYUPMVLFWOTID-GFBOILITSA-N -1 0 462.593 2.845 40 0 JFABRM COc1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc(OC)c1O ZINC000008684311 569593009 /nfs/dbraw/zinc/59/30/09/569593009.db2.gz LMEPSFLTZMBAJG-AHIWAGSCSA-N -1 0 462.471 2.740 40 0 JFABRM [O-]c1c(I)cc(C(=S)N2CCOCC2)cc1I ZINC000059515284 569606449 /nfs/dbraw/zinc/60/64/49/569606449.db2.gz FRMHXNSZPOXYOI-UHFFFAOYSA-N -1 0 475.089 2.609 40 0 JFABRM CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c1OCC(=O)[O-] ZINC000033632936 569629249 /nfs/dbraw/zinc/62/92/49/569629249.db2.gz CWROMLSEADFTQZ-BOPFTXTBSA-N -1 0 462.524 2.844 40 0 JFABRM C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000033705687 569631188 /nfs/dbraw/zinc/63/11/88/569631188.db2.gz RTJHXGVQHMBDHR-OMJMQIJPSA-N -1 0 484.461 2.748 40 0 JFABRM CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-] ZINC000100774897 569769584 /nfs/dbraw/zinc/76/95/84/569769584.db2.gz CFHPYBICEFNNRW-MHORFTMASA-N -1 0 455.596 2.684 40 0 JFABRM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1Cl ZINC000038755920 569807165 /nfs/dbraw/zinc/80/71/65/569807165.db2.gz RFVNLRISHSRZKY-UHFFFAOYSA-N -1 0 453.929 3.345 40 0 JFABRM 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JFABRM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1 ZINC000020455967 525219957 /nfs/dbraw/zinc/21/99/57/525219957.db2.gz SYKLSBAIBANJAB-UHFFFAOYSA-N -1 0 481.943 2.555 40 0 JFABRM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000020488892 526144708 /nfs/dbraw/zinc/14/47/08/526144708.db2.gz YKBDOQNJUJIKOK-MRXNPFEDSA-N -1 0 474.564 2.676 40 0 JFABRM O=c1[n-]n([C@H]2CC=C3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3C2)c(=O)n1Cc1ccccc1 ZINC000018251563 527109202 /nfs/dbraw/zinc/10/92/02/527109202.db2.gz UKUAZBWOTIWXGB-IPMKNSEASA-N -1 0 450.882 2.759 40 0 JFABRM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N1C(=O)c2ccccc2C1=O ZINC000000958059 553884506 /nfs/dbraw/zinc/88/45/06/553884506.db2.gz VUYCWWPPGLDOSK-AWEZNQCLSA-N -1 0 450.476 2.506 40 0 JFABRM O=C([O-])CC1(CC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccccc3)n2)CCCC1 ZINC000005413925 554490357 /nfs/dbraw/zinc/49/03/57/554490357.db2.gz WUXFGZTVFMQZLS-BZRIBIQUSA-N -1 0 466.538 2.632 40 0 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