smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN([C@H](c3nnnn3C[C@H]3CCCO3)c3ccccc3)CC2)cc1 ZINC000013504348 132348036 /nfs/dbraw/zinc/34/80/36/132348036.db2.gz KAMHOXMFCRPMFI-PKTZIBPZSA-N 0 0 434.544 2.772 40 10 IFCBRN CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@H]1C ZINC000020449213 521668140 /nfs/dbraw/zinc/66/81/40/521668140.db2.gz YAMBYOPJDWHIRH-QGZVFWFLSA-N 0 0 443.569 2.758 40 10 IFCBRN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O ZINC000408549470 555830176 /nfs/dbraw/zinc/83/01/76/555830176.db2.gz UCFZUGJOWOGGAX-LZYBPNLTSA-N 0 0 432.274 2.922 40 10 IFCBRN COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCOCC3)C2=O)cc1 ZINC000008819879 556219830 /nfs/dbraw/zinc/21/98/30/556219830.db2.gz ZQEZPNZXHVYWJZ-SDXDJHTJSA-N 0 0 449.598 2.820 40 10 IFCBRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN1C(=O)CSC1=S ZINC000032594546 556541852 /nfs/dbraw/zinc/54/18/52/556541852.db2.gz HFRKBRKJHLSFAR-UHFFFAOYSA-N 0 0 441.563 2.918 40 10 IFCBRN CCOc1ccccc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O ZINC000013670057 556550938 /nfs/dbraw/zinc/55/09/38/556550938.db2.gz MGOPVSOROXGXFY-UHFFFAOYSA-N 0 0 431.558 2.768 40 10 IFCBRN C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455464 556720403 /nfs/dbraw/zinc/72/04/03/556720403.db2.gz UDOOSWPQAJKKDS-IRXDYDNUSA-N 0 0 441.553 2.945 40 10 IFCBRN CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 ZINC000408775607 556848746 /nfs/dbraw/zinc/84/87/46/556848746.db2.gz JCOVJYINOIGPLW-MOSHPQCFSA-N 0 0 436.464 2.827 40 10 IFCBRN COCCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1C ZINC000408894445 556880376 /nfs/dbraw/zinc/88/03/76/556880376.db2.gz QNOJJDIEXMMNRZ-QPEQYQDCSA-N 0 0 438.274 2.887 40 10 IFCBRN COC(=O)COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC ZINC000409125359 556964909 /nfs/dbraw/zinc/96/49/09/556964909.db2.gz NDLQGVPHRXLFKJ-BOPFTXTBSA-N 0 0 426.450 2.647 40 10 IFCBRN COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000409177204 556986383 /nfs/dbraw/zinc/98/63/83/556986383.db2.gz DKMDDGRMVUVOJG-WJDWOHSUSA-N 0 0 428.491 2.785 40 10 IFCBRN CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409215108 557009950 /nfs/dbraw/zinc/00/99/50/557009950.db2.gz ZVXDWLOAPXZGNV-UHFFFAOYSA-N 0 0 426.385 2.615 40 10 IFCBRN COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O ZINC000409229744 557015796 /nfs/dbraw/zinc/01/57/96/557015796.db2.gz UNCSODSUEPBNPC-LDADJPATSA-N 0 0 449.554 2.814 40 10 IFCBRN COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000409231802 557023565 /nfs/dbraw/zinc/02/35/65/557023565.db2.gz MGZOMPKSIRBRPS-QGOAFFKASA-N 0 0 438.459 2.966 40 10 IFCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1C ZINC000409254883 557034473 /nfs/dbraw/zinc/03/44/73/557034473.db2.gz JJUKJKSATATBRU-UHFFFAOYSA-N 0 0 443.912 2.889 40 10 IFCBRN CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000409392434 557096939 /nfs/dbraw/zinc/09/69/39/557096939.db2.gz PKYBUSPOWLARAV-LDADJPATSA-N 0 0 432.505 2.927 40 10 IFCBRN CN1C(=O)C(=Cc2cn(CC(=O)NCc3ccccc3)c3ccccc23)C(=O)N(C)C1=S ZINC000006287805 557150789 /nfs/dbraw/zinc/15/07/89/557150789.db2.gz LIEQLYHZLDXWHS-UHFFFAOYSA-N 0 0 446.532 2.556 40 10 IFCBRN CN(C)c1ccc([C@H]2N=c3ccccc3=C3C(=O)N=C(SCc4ccccc4)NN32)cc1 ZINC000588225523 557152354 /nfs/dbraw/zinc/15/23/54/557152354.db2.gz SBLMNBQWISBZHG-QHCPKHFHSA-N 0 0 441.560 2.829 40 10 IFCBRN CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 ZINC000009064476 557180454 /nfs/dbraw/zinc/18/04/54/557180454.db2.gz YILKCWDZCATPHS-UHFFFAOYSA-N 0 0 444.513 2.839 40 10 IFCBRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219266864 557234528 /nfs/dbraw/zinc/23/45/28/557234528.db2.gz FVQSHRSLAHGLTC-AZUAARDMSA-N 0 0 436.622 2.619 40 10 IFCBRN CC[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccc(OC)cc2)CC1 ZINC000057671345 557257282 /nfs/dbraw/zinc/25/72/82/557257282.db2.gz BCQSDTJMYSQHCQ-FQEVSTJZSA-N 0 0 436.516 2.732 40 10 IFCBRN CC[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000113950110 557381006 /nfs/dbraw/zinc/38/10/06/557381006.db2.gz JLOSQJOCNVYBRW-JOCHJYFZSA-N 0 0 445.585 2.693 40 10 IFCBRN CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)Cc1ccccc1F ZINC000222992095 557413176 /nfs/dbraw/zinc/41/31/76/557413176.db2.gz WWRDEJPNOHUUPJ-UHFFFAOYSA-N 0 0 433.549 2.894 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 ZINC000223102864 557431545 /nfs/dbraw/zinc/43/15/45/557431545.db2.gz XHISKPCHNDUFPY-NRFANRHFSA-N 0 0 431.558 2.685 40 10 IFCBRN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCc1ccccc1OC ZINC000017102058 557490946 /nfs/dbraw/zinc/49/09/46/557490946.db2.gz UFBAUDIDCFELCH-STZFKDTASA-N 0 0 438.440 2.933 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000225069709 557684989 /nfs/dbraw/zinc/68/49/89/557684989.db2.gz JYWNHCJQGRYHGU-INIZCTEOSA-N 0 0 448.545 2.912 40 10 IFCBRN C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 ZINC000059182367 557818014 /nfs/dbraw/zinc/81/80/14/557818014.db2.gz VKHZKYNYTSIGGJ-HNNXBMFYSA-N 0 0 438.553 2.641 40 10 IFCBRN COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)c(Br)c3)C2=O)o1 ZINC000034721038 569260061 /nfs/dbraw/zinc/26/00/61/569260061.db2.gz VBDYGMBFBVIQHP-ZROIWOOFSA-N 0 0 448.273 2.988 40 10 IFCBRN C=CCOc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O ZINC000107929473 569260694 /nfs/dbraw/zinc/26/06/94/569260694.db2.gz SXHBCFXWTXQCTM-BOPFTXTBSA-N 0 0 425.441 2.790 40 10 IFCBRN CCN1c2ccc(S(=O)(=O)N3CCOCC3)cc2/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000207986633 569261257 /nfs/dbraw/zinc/26/12/57/569261257.db2.gz MYVMCLOSEAIIRI-RCCKNPSSSA-N 0 0 441.553 2.681 40 10 IFCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 ZINC000008992152 569292860 /nfs/dbraw/zinc/29/28/60/569292860.db2.gz WBQOBACKPZFYNV-SSGKUCQKSA-N 0 0 430.460 2.877 40 10 IFCBRN O=C(Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)c1cccc(Br)c1 ZINC000003032531 569437800 /nfs/dbraw/zinc/43/78/00/569437800.db2.gz XBVCLDGYCFQVLW-UHFFFAOYSA-N 0 0 431.267 2.583 40 10 IFCBRN CC(=O)N1c2ccccc2/C(=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)C1=O ZINC000008821912 132295264 /nfs/dbraw/zinc/29/52/64/132295264.db2.gz QUQCGDCBYOGZOZ-VXPUYCOJSA-N 0 0 432.505 2.742 40 10 IFCBRN COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000013504244 132347917 /nfs/dbraw/zinc/34/79/17/132347917.db2.gz NNJLHBBQHFVECC-NRFANRHFSA-N 0 0 442.951 2.893 40 10 IFCBRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000015162261 520487118 /nfs/dbraw/zinc/48/71/18/520487118.db2.gz DFAXJBJKLHZUEF-QDUHJBTASA-N 0 0 447.560 2.864 40 10 IFCBRN CCS(=O)(=O)N1c2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2C[C@@H]1C ZINC000020449211 521668084 /nfs/dbraw/zinc/66/80/84/521668084.db2.gz YAMBYOPJDWHIRH-KRWDZBQOSA-N 0 0 443.569 2.758 40 10 IFCBRN COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)CC2)cc1 ZINC000020456916 524419579 /nfs/dbraw/zinc/41/95/79/524419579.db2.gz MJSZORXAGNABCC-UHFFFAOYSA-N 0 0 443.569 2.583 40 10 IFCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(O)c3)C2=O)cc(OC)c1OC ZINC000002258584 555763144 /nfs/dbraw/zinc/76/31/44/555763144.db2.gz JANRLYAJWVCNFU-CXUHLZMHSA-N 0 0 446.506 2.964 40 10 IFCBRN CNS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)c(OC)c3)N=C2C)cc1 ZINC000408536458 555772094 /nfs/dbraw/zinc/77/20/94/555772094.db2.gz WNVYHKOBRFDZBD-WJDWOHSUSA-N 0 0 434.905 2.975 40 10 IFCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@H]1c1ccc(N(C)C)cc1 ZINC000408731082 556186591 /nfs/dbraw/zinc/18/65/91/556186591.db2.gz KJPUJMGOBJAWKM-BARSGRSVSA-N 0 0 447.560 2.973 40 10 IFCBRN O=C(Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)c1ccccc1Br ZINC000408761788 556688046 /nfs/dbraw/zinc/68/80/46/556688046.db2.gz HPARHOPGUYGQNO-UHFFFAOYSA-N 0 0 431.267 2.583 40 10 IFCBRN C[C@@H](NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455486 556720838 /nfs/dbraw/zinc/72/08/38/556720838.db2.gz WQDINCUDQSHFAW-ZWKOTPCHSA-N 0 0 436.622 2.619 40 10 IFCBRN COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)cc1 ZINC000069158128 556854216 /nfs/dbraw/zinc/85/42/16/556854216.db2.gz JLYOTVMPMREUBM-UHFFFAOYSA-N 0 0 443.569 2.832 40 10 IFCBRN COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409079029 556948999 /nfs/dbraw/zinc/94/89/99/556948999.db2.gz JSXRKCXKQAAWKA-WOJGMQOQSA-N 0 0 446.506 2.878 40 10 IFCBRN COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 ZINC000409103855 556952605 /nfs/dbraw/zinc/95/26/05/556952605.db2.gz XBFPPUOWDJUBIE-UYRXBGFRSA-N 0 0 438.459 2.966 40 10 IFCBRN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O ZINC000409098834 556954329 /nfs/dbraw/zinc/95/43/29/556954329.db2.gz MEIYBOGQSOATDV-VZWMTCDZSA-N 0 0 427.482 2.791 40 10 IFCBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O ZINC000409098831 556954363 /nfs/dbraw/zinc/95/43/63/556954363.db2.gz MEIYBOGQSOATDV-VGSSETLESA-N 0 0 427.482 2.791 40 10 IFCBRN CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)Oc2ccc(Cl)cc21 ZINC000020042606 556972184 /nfs/dbraw/zinc/97/21/84/556972184.db2.gz KDNDGTMWWZAMMM-HXUWFJFHSA-N 0 0 449.960 2.784 40 10 IFCBRN CCN1c2ccc(S(N)(=O)=O)cc2/C(=C\c2cc(C)n(C[C@H]3CCCO3)c2C)C1=O ZINC000409197855 556995330 /nfs/dbraw/zinc/99/53/30/556995330.db2.gz QGPBXAHNMXPVLY-MLHZQLSASA-N 0 0 429.542 2.838 40 10 IFCBRN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)NC(=S)N(C)C2=O)c1C ZINC000409198470 556995499 /nfs/dbraw/zinc/99/54/99/556995499.db2.gz GKPGTFAESYZJGF-ZSOIEALJSA-N 0 0 431.539 2.816 40 10 IFCBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000409225003 557013747 /nfs/dbraw/zinc/01/37/47/557013747.db2.gz NWJACEFUORBADC-UHFFFAOYSA-N 0 0 429.885 2.580 40 10 IFCBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000409231937 557023548 /nfs/dbraw/zinc/02/35/48/557023548.db2.gz GIBVKXULLPQZQS-RCCKNPSSSA-N 0 0 434.496 2.617 40 10 IFCBRN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(CC)C3=O)c2C)c1 ZINC000409390932 557095875 /nfs/dbraw/zinc/09/58/75/557095875.db2.gz GHAQEYUIGKIRKH-LDADJPATSA-N 0 0 425.510 2.917 40 10 IFCBRN CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)NC1=S ZINC000008383904 557169597 /nfs/dbraw/zinc/16/95/97/557169597.db2.gz QFOSNJZLETWKAF-XFFZJAGNSA-N 0 0 436.243 2.874 40 10 IFCBRN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCCC2)cc1)S(C)(=O)=O ZINC000010113644 557206114 /nfs/dbraw/zinc/20/61/14/557206114.db2.gz BQXLKIUAZSIAAV-UHFFFAOYSA-N 0 0 446.529 2.586 40 10 IFCBRN CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)Oc2ccccc21 ZINC000218790845 557215972 /nfs/dbraw/zinc/21/59/72/557215972.db2.gz GNIXLACFNLZVHO-QFIPXVFZSA-N 0 0 443.569 2.910 40 10 IFCBRN Cc1ccc(N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)/N=N/c2ccc(Br)cc2)cc1C ZINC000013477299 557322312 /nfs/dbraw/zinc/32/23/12/557322312.db2.gz SFBGWEUXXNRFNC-RGFDYMEPSA-N 0 0 438.322 2.646 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 ZINC000222969336 557409496 /nfs/dbraw/zinc/40/94/96/557409496.db2.gz VJJMTIDYPWBHGB-UHFFFAOYSA-N 0 0 449.573 2.632 40 10 IFCBRN COc1ccc(C=C2SC(=S)N(CCCC(=O)NCCc3c[nH]cn3)C2=O)cc1 ZINC000033543458 557410212 /nfs/dbraw/zinc/41/02/12/557410212.db2.gz GCTTUJZYYFSUNX-BOPFTXTBSA-N 0 0 430.555 2.759 40 10 IFCBRN COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3F)S(C)(=O)=O)CC2)cc1 ZINC000223275527 557454702 /nfs/dbraw/zinc/45/47/02/557454702.db2.gz XZEWTJZTWXTMDY-UHFFFAOYSA-N 0 0 449.548 2.729 40 10 IFCBRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C(=O)NC(C)C ZINC000223851798 557520964 /nfs/dbraw/zinc/52/09/64/557520964.db2.gz DHMSOOSKLCTIHU-UHFFFAOYSA-N 0 0 431.558 2.912 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)CC)c3ccccc3O2)cc1 ZINC000224252970 557581400 /nfs/dbraw/zinc/58/14/00/557581400.db2.gz YMDIXWJKUWISTD-NRFANRHFSA-N 0 0 431.558 2.766 40 10 IFCBRN COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000224505930 557614102 /nfs/dbraw/zinc/61/41/02/557614102.db2.gz IQATYPMUSQKXGQ-UHFFFAOYSA-N 0 0 445.585 2.795 40 10 IFCBRN CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 ZINC000224811099 557653987 /nfs/dbraw/zinc/65/39/87/557653987.db2.gz WLRUPXKWFADAIX-UHFFFAOYSA-N 0 0 429.542 2.505 40 10 IFCBRN O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000225087194 557686310 /nfs/dbraw/zinc/68/63/10/557686310.db2.gz QXSLGIKJEAXDBO-UHFFFAOYSA-N 0 0 427.526 2.809 40 10 IFCBRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000225560134 557742413 /nfs/dbraw/zinc/74/24/13/557742413.db2.gz RAFNVWACUAAYPO-UHFFFAOYSA-N 0 0 443.569 2.628 40 10 IFCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2 ZINC000059139498 557816737 /nfs/dbraw/zinc/81/67/37/557816737.db2.gz BRWZFRKZTHMFQF-UHFFFAOYSA-N 0 0 440.477 2.602 40 10 IFCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@@H]1O ZINC000054361061 568940779 /nfs/dbraw/zinc/94/07/79/568940779.db2.gz LPTHVJWTDZMISO-PTRWATSXSA-N 0 0 428.988 2.524 40 10 IFCBRN COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 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556697980 /nfs/dbraw/zinc/69/79/80/556697980.db2.gz BWXWIGABRLCLNE-UHFFFAOYSA-N 0 0 445.585 2.663 40 10 IFCBRN C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000260455463 556720489 /nfs/dbraw/zinc/72/04/89/556720489.db2.gz UDOOSWPQAJKKDS-DLBZAZTESA-N 0 0 441.553 2.945 40 10 IFCBRN Cc1ccc(C(=O)Oc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000408895694 556880950 /nfs/dbraw/zinc/88/09/50/556880950.db2.gz NXXNAKPBWUQVRK-UHFFFAOYSA-N 0 0 445.294 2.891 40 10 IFCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)N(C)C3=O)cc2Cl)cc1 ZINC000408911319 556888272 /nfs/dbraw/zinc/88/82/72/556888272.db2.gz MWXFCBPKOHYSKE-OQLLNIDSSA-N 0 0 443.912 2.922 40 10 IFCBRN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1Cl ZINC000409000318 556914016 /nfs/dbraw/zinc/91/40/16/556914016.db2.gz YNFSZUBKUJZJOY-UHFFFAOYSA-N 0 0 429.860 2.968 40 10 IFCBRN CCOC(=O)[C@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 ZINC000019818502 556921298 /nfs/dbraw/zinc/92/12/98/556921298.db2.gz 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ZINC000257302423 568712381 /nfs/dbraw/zinc/71/23/81/568712381.db2.gz SCXGPCMFFLZKGQ-KRWDZBQOSA-N 0 0 437.544 2.545 40 10 IFCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000032109518 568781512 /nfs/dbraw/zinc/78/15/12/568781512.db2.gz JTZAGZFKRLSRRN-UHFFFAOYSA-N 0 0 441.421 2.967 40 10 IFCBRN COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(Br)c(O)c(OC)c2)SC1=S ZINC000001276943 568788282 /nfs/dbraw/zinc/78/82/82/568788282.db2.gz XLMGBXWLQPCWEM-KLDHPSGWSA-N 0 0 432.317 2.926 40 10 IFCBRN CN(C)c1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000013503867 568904997 /nfs/dbraw/zinc/90/49/97/568904997.db2.gz UNSHMYGRQUWUSG-QFIPXVFZSA-N 0 0 449.559 2.995 40 10 IFCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@@H]1c1ccccc1 ZINC000033762687 569259808 /nfs/dbraw/zinc/25/98/08/569259808.db2.gz OWCGKGLRHGPOKU-MNJKBJKMSA-N 0 0 447.560 2.973 40 10 IFCBRN O=C(CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)N[C@@H]1CSC[C@H]1O ZINC000054361063 193931440 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ZINC000020459471 525185184 /nfs/dbraw/zinc/18/51/84/525185184.db2.gz LQWTXUKCOVGXGV-NRFANRHFSA-N 0 0 429.542 2.520 40 10 IFCBRN O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccccc1 ZINC000408656575 556036662 /nfs/dbraw/zinc/03/66/62/556036662.db2.gz FRQRPYWGFUAEAX-HBMCJLEFSA-N 0 0 432.476 2.731 40 10 IFCBRN COc1ccc(N2CCN(C(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)CC2)cc1 ZINC000408694390 556096430 /nfs/dbraw/zinc/09/64/30/556096430.db2.gz FMGCJWMOJXZMOI-UHFFFAOYSA-N 0 0 445.585 2.899 40 10 IFCBRN CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Br)c1OC(C)=O ZINC000408755273 556238208 /nfs/dbraw/zinc/23/82/08/556238208.db2.gz JETRJMCDDFXBJH-QPEQYQDCSA-N 0 0 427.276 2.880 40 10 IFCBRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000013647831 556544502 /nfs/dbraw/zinc/54/45/02/556544502.db2.gz JSESXMWSSDFHCZ-UHFFFAOYSA-N 0 0 443.569 2.546 40 10 IFCBRN COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc(O)cc4)n3C)CC2)cc1 ZINC000000882499 556733413 /nfs/dbraw/zinc/73/34/13/556733413.db2.gz ASJKFERCHXRQDV-UHFFFAOYSA-N 0 0 439.541 2.637 40 10 IFCBRN COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(Br)cc2)c1 ZINC000408873231 556875497 /nfs/dbraw/zinc/87/54/97/556875497.db2.gz OZQUKSLIGVPRLO-UHFFFAOYSA-N 0 0 447.310 2.951 40 10 IFCBRN COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000408899521 556882118 /nfs/dbraw/zinc/88/21/18/556882118.db2.gz PZCHOBOMEYSBOQ-UHFFFAOYSA-N 0 0 432.457 2.982 40 10 IFCBRN Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=S)N(C)C3=O)c3ccccc32)cc1 ZINC000408912759 556886578 /nfs/dbraw/zinc/88/65/78/556886578.db2.gz RXERMQPBLIEPNM-WOJGMQOQSA-N 0 0 432.505 2.845 40 10 IFCBRN COCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)C(=O)N(c2ccccc2)C1=O ZINC000409012154 556918400 /nfs/dbraw/zinc/91/84/00/556918400.db2.gz IZYHCSAYSRSHGX-VKAVYKQESA-N 0 0 440.452 2.738 40 10 IFCBRN CCOC(=O)[C@@H]1C(=O)N(CCCOC)c2nc3ccccc3n2[C@H]1c1ccc(O)c(O)c1 ZINC000019818503 556921358 /nfs/dbraw/zinc/92/13/58/556921358.db2.gz QOTQRJOGFLZLJN-PMACEKPBSA-N 0 0 439.468 2.599 40 10 IFCBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(N4CCOCC4)c(C)c3)C2=O)c1 ZINC000409096801 556953197 /nfs/dbraw/zinc/95/31/97/556953197.db2.gz KOVQOKRQEYPQDW-XSFVSMFZSA-N 0 0 434.496 2.671 40 10 IFCBRN O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409124559 556964395 /nfs/dbraw/zinc/96/43/95/556964395.db2.gz AXOMVOIKKLQANG-SDNWHVSQSA-N 0 0 429.448 2.633 40 10 IFCBRN COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3C)CC2)cc1 ZINC000020061440 556975795 /nfs/dbraw/zinc/97/57/95/556975795.db2.gz FBOBYWLEBCIBSM-UHFFFAOYSA-N 0 0 443.569 2.751 40 10 IFCBRN C[C@H](C(=O)N[C@H](CO)Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000043730663 556981280 /nfs/dbraw/zinc/98/12/80/556981280.db2.gz IRDVGJQCOKMEBC-LHFDLFKZSA-N 0 0 426.563 2.996 40 10 IFCBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1Cl ZINC000409256988 557035088 /nfs/dbraw/zinc/03/50/88/557035088.db2.gz QYHASTXLFBKDDT-UHFFFAOYSA-N 0 0 429.885 2.580 40 10 IFCBRN NC(=O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O ZINC000409327973 557062366 /nfs/dbraw/zinc/06/23/66/557062366.db2.gz OMQZSENQARXCKC-OQLLNIDSSA-N 0 0 447.925 2.750 40 10 IFCBRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)CC1 ZINC000409343802 557071231 /nfs/dbraw/zinc/07/12/31/557071231.db2.gz FMMCHSHJBKPDPX-XMHGGMMESA-N 0 0 429.542 2.818 40 10 IFCBRN CCN1c2cc(S(=O)(=O)C(F)(F)F)ccc2S/C1=C1\SC(=S)N(N)C1=O ZINC000100199805 557111616 /nfs/dbraw/zinc/11/16/16/557111616.db2.gz HINJTPIODFEAID-LUAWRHEFSA-N 0 0 441.503 2.815 40 10 IFCBRN C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000219267075 557234504 /nfs/dbraw/zinc/23/45/04/557234504.db2.gz UDCJTGLPSYPGCQ-WSTZPKSXSA-N 0 0 436.622 2.619 40 10 IFCBRN CC(NCCCN1CCOCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000112294428 557239717 /nfs/dbraw/zinc/23/97/17/557239717.db2.gz HXQXKGOAQPFTPE-PYCFMQQDSA-N 0 0 449.511 2.932 40 10 IFCBRN O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219666956 557261515 /nfs/dbraw/zinc/26/15/15/557261515.db2.gz 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CCOC(=O)CN1C(=O)/C(=C2\c3cc(Br)ccc3N(C)C2=O)SC1=S ZINC000001810144 568788425 /nfs/dbraw/zinc/78/84/25/568788425.db2.gz RTQGZPKAFATSQX-SEYXRHQNSA-N 0 0 441.328 2.560 40 10 IFCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccc(N(C)C)cc3)sc2=N[C@H]1c1ccccc1 ZINC000033762689 569259817 /nfs/dbraw/zinc/25/98/17/569259817.db2.gz OWCGKGLRHGPOKU-BARSGRSVSA-N 0 0 447.560 2.973 40 10 IFCBRN C[C@@]12CS(=O)(=O)C[C@@H]1SC(=S)N2c1cccc2c1C(=O)c1ccccc1C2=O ZINC000012139585 569303807 /nfs/dbraw/zinc/30/38/07/569303807.db2.gz CDEJQZVZAKZQOT-MGPUTAFESA-N 0 0 429.544 2.856 40 10 IFCBRN COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C)c1 ZINC000020507251 521817985 /nfs/dbraw/zinc/81/79/85/521817985.db2.gz KVWWQZZAXNPJSB-HZPDHXFCSA-N 0 0 442.512 2.959 40 10 IFCBRN COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc(OC)c1OC ZINC000002260187 555763551 /nfs/dbraw/zinc/76/35/51/555763551.db2.gz NIMCHXUFIQUWND-MHWRWJLKSA-N 0 0 446.506 2.964 40 10 IFCBRN CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1NC(C)=O ZINC000408561126 555902943 /nfs/dbraw/zinc/90/29/43/555902943.db2.gz QWBZDJBGNRMIRN-UHFFFAOYSA-N 0 0 433.530 2.563 40 10 IFCBRN CCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1C ZINC000408627059 555997705 /nfs/dbraw/zinc/99/77/05/555997705.db2.gz XSXKMRCRZIZSFN-UHFFFAOYSA-N 0 0 431.558 2.654 40 10 IFCBRN CCOC(=O)C1=C(C)n2c(=O)/c(=C/c3ccccc3)sc2=N[C@@H]1c1ccc(N(C)C)cc1 ZINC000408731084 556186559 /nfs/dbraw/zinc/18/65/59/556186559.db2.gz KJPUJMGOBJAWKM-MNJKBJKMSA-N 0 0 447.560 2.973 40 10 IFCBRN Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1C ZINC000013671145 556552033 /nfs/dbraw/zinc/55/20/33/556552033.db2.gz QWAQKTFAHXRJBS-IBGZPJMESA-N 0 0 445.585 2.611 40 10 IFCBRN CN(C)c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)cc1[N+](=O)[O-] ZINC000016186560 556587707 /nfs/dbraw/zinc/58/77/07/556587707.db2.gz BYTVHESTANDFIK-NSIKDUERSA-N 0 0 446.286 2.589 40 10 IFCBRN CNc1nc([C@H]2CCCN2C(=O)CCN(C)c2ccc(OC)cc2)nc2c1CCN(C)C2 ZINC000019707119 556866272 /nfs/dbraw/zinc/86/62/72/556866272.db2.gz ICYZCYUJWOEGHK-OAQYLSRUSA-N 0 0 438.576 2.705 40 10 IFCBRN COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000408876098 556876684 /nfs/dbraw/zinc/87/66/84/556876684.db2.gz MSEUENHAZMDICF-MTJSOVHGSA-N 0 0 449.507 2.858 40 10 IFCBRN CCOc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(Br)c1OC(C)C ZINC000408919601 556891725 /nfs/dbraw/zinc/89/17/25/556891725.db2.gz YUUATRRJXIRPID-IZZDOVSWSA-N 0 0 427.320 2.892 40 10 IFCBRN CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993994 556912991 /nfs/dbraw/zinc/91/29/91/556912991.db2.gz XYLGRPXKBNEAEK-UHFFFAOYSA-N 0 0 442.493 2.596 40 10 IFCBRN Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(N4CCOCC4)c(F)c3)C2=O)c1 ZINC000409148224 556973647 /nfs/dbraw/zinc/97/36/47/556973647.db2.gz PAIUWUFOOGLXPB-UYRXBGFRSA-N 0 0 438.459 2.502 40 10 IFCBRN Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1 ZINC000020356356 557010531 /nfs/dbraw/zinc/01/05/31/557010531.db2.gz JSYBMGZSRGULMH-KNTRCKAVSA-N 0 0 447.626 2.815 40 10 IFCBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1 ZINC000409218793 557012921 /nfs/dbraw/zinc/01/29/21/557012921.db2.gz HBPBQKHLAADWGN-UHFFFAOYSA-N 0 0 429.885 2.580 40 10 IFCBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=S)NC2=O)cc1Cl ZINC000409254268 557034081 /nfs/dbraw/zinc/03/40/81/557034081.db2.gz WRYDSEYIUIYSIW-UHFFFAOYSA-N 0 0 429.885 2.580 40 10 IFCBRN Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)c1C ZINC000409267852 557039588 /nfs/dbraw/zinc/03/95/88/557039588.db2.gz WPNYCYDXJKNSML-UHFFFAOYSA-N 0 0 443.912 2.889 40 10 IFCBRN C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000218327720 557193096 /nfs/dbraw/zinc/19/30/96/557193096.db2.gz UDOOSWPQAJKKDS-SJORKVTESA-N 0 0 441.553 2.945 40 10 IFCBRN C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000218327452 557193117 /nfs/dbraw/zinc/19/31/17/557193117.db2.gz XWJLVXIAXHFGFN-QGZVFWFLSA-N 0 0 441.553 2.945 40 10 IFCBRN CC[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220504184 557297864 /nfs/dbraw/zinc/29/78/64/557297864.db2.gz PYJPQHXKOBAAKB-JOCHJYFZSA-N 0 0 445.585 2.897 40 10 IFCBRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1N1CCCCS1(=O)=O ZINC000222572469 557354198 /nfs/dbraw/zinc/35/41/98/557354198.db2.gz JRGBBGFYLOQNFK-UHFFFAOYSA-N 0 0 443.569 2.692 40 10 IFCBRN C[C@H](C(=O)N(C)C[C@@H](O)c1ccc(O)cc1)N1C(=O)/C(=C/c2ccco2)SC1=S ZINC000033589227 557414804 /nfs/dbraw/zinc/41/48/04/557414804.db2.gz GEYLAKDAPIRPEN-MVKJJVDBSA-N 0 0 432.523 2.767 40 10 IFCBRN CNC(=O)c1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)ccc1OC ZINC000223850393 557520781 /nfs/dbraw/zinc/52/07/81/557520781.db2.gz IBFIVSSAJWQTMX-MRXNPFEDSA-N 0 0 431.558 2.770 40 10 IFCBRN CN(c1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(C)(=O)=O ZINC000224081138 557557867 /nfs/dbraw/zinc/55/78/67/557557867.db2.gz ADNCGDHGFMECMB-UHFFFAOYSA-N 0 0 431.558 2.768 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000225076972 557685564 /nfs/dbraw/zinc/68/55/64/557685564.db2.gz KNQOPMRLUZWBLD-UHFFFAOYSA-N 0 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ZINC000000780419 556693258 /nfs/dbraw/zinc/69/32/58/556693258.db2.gz UAZJYWMKODKILD-UHFFFAOYSA-N 0 0 437.540 2.905 40 10 IFCBRN COc1ccc(N2CCN(C(=O)CSc3nnc(NC(=O)C4CCC4)s3)CC2)cc1 ZINC000001381602 556797125 /nfs/dbraw/zinc/79/71/25/556797125.db2.gz XQONXZRBMUMLRG-UHFFFAOYSA-N 0 0 447.586 2.726 40 10 IFCBRN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)cc1OC(C)C ZINC000408907022 556884727 /nfs/dbraw/zinc/88/47/27/556884727.db2.gz LBCSNGJMPAWESB-UHFFFAOYSA-N 0 0 427.320 2.844 40 10 IFCBRN CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(CC(=O)N3CCOCC3)c21 ZINC000409131957 556963351 /nfs/dbraw/zinc/96/33/51/556963351.db2.gz ZHLKKWWPXGDQBS-BOPFTXTBSA-N 0 0 429.567 2.894 40 10 IFCBRN Cc1cc(C)nc(Sc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[N+](=O)[O-])n1 ZINC000409161662 556980901 /nfs/dbraw/zinc/98/09/01/556980901.db2.gz OMUNWTGAFAVENR-UHFFFAOYSA-N 0 0 427.442 2.587 40 10 IFCBRN CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S ZINC000409208887 556998067 /nfs/dbraw/zinc/99/80/67/556998067.db2.gz 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GVOIHZDKGMKRMA-LGMDPLHJSA-N 0 0 445.566 2.878 40 10 IFCBRN CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)CC1 ZINC000013388299 557309589 /nfs/dbraw/zinc/30/95/89/557309589.db2.gz MCZWQGLRSFTWSB-LDADJPATSA-N 0 0 426.454 2.989 40 10 IFCBRN COc1ccc(N2CCN(C(=O)c3cc(N(C)S(C)(=O)=O)ccc3Cl)CC2)cc1 ZINC000222494165 557343745 /nfs/dbraw/zinc/34/37/45/557343745.db2.gz TUDZACTXVBQGDC-UHFFFAOYSA-N 0 0 437.949 2.707 40 10 IFCBRN Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000113956056 557381318 /nfs/dbraw/zinc/38/13/18/557381318.db2.gz WUQLHUGQZPHSCF-UHFFFAOYSA-N 0 0 445.585 2.694 40 10 IFCBRN COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@@H]3[C@H](C(C)=O)N21 ZINC000013656487 557381897 /nfs/dbraw/zinc/38/18/97/557381897.db2.gz OHJZXWILKAGHBT-BJESRGMDSA-N 0 0 446.459 2.599 40 10 IFCBRN COC(=O)C=C1NN(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]Cc1ccc2c(c1)OCO2 ZINC000013990357 557400265 /nfs/dbraw/zinc/40/02/65/557400265.db2.gz VWTRMDBEQSBFHY-HMAPJEAMSA-N 0 0 437.452 2.753 40 10 IFCBRN CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 ZINC000224143941 557565998 /nfs/dbraw/zinc/56/59/98/557565998.db2.gz WYIYBNUMAVIWDZ-UHFFFAOYSA-N 0 0 447.557 2.734 40 10 IFCBRN CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000225813071 557780254 /nfs/dbraw/zinc/78/02/54/557780254.db2.gz VUAVKPSMVYGUJX-UHFFFAOYSA-N 0 0 433.599 2.946 40 10 IFCBRN C[C@@H](NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(N2CCOCC2)cc1 ZINC000225838549 557783626 /nfs/dbraw/zinc/78/36/26/557783626.db2.gz BHYPVIHMFKBKAN-MRXNPFEDSA-N 0 0 448.614 2.967 40 10 IFCBRN Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccccc1 ZINC000033535000 557808304 /nfs/dbraw/zinc/80/83/04/557808304.db2.gz OQOHVBNYLVMKSP-UYRXBGFRSA-N 0 0 425.510 2.989 40 10 IFCBRN COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)[C@H]3[C@@H](C(C)=O)N21 ZINC000101483685 568844224 /nfs/dbraw/zinc/84/42/24/568844224.db2.gz OHJZXWILKAGHBT-SSGKUCQKSA-N 0 0 446.459 2.599 40 10 IFCBRN