smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccs1 ZINC000000432541 296359393 /nfs/dbraw/zinc/35/93/93/296359393.db2.gz KXGTYNGQIMUCBR-WQLSENKSSA-N 0 1 348.836 3.233 50 10 EGCAMN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cnc[nH]1 ZINC000604406204 460422060 /nfs/dbraw/zinc/42/20/60/460422060.db2.gz ZDHJEHIXROCNAQ-UHFFFAOYSA-N 0 1 341.370 3.179 50 10 biogenic EGCAMN CCc1ccc(CN2CCN(Cc3cc(OC)ccc3O)CC2)cc1 ZINC000019791496 202021547 /nfs/dbraw/zinc/02/15/47/202021547.db2.gz BOTPDNCAIAJUID-UHFFFAOYSA-N 0 1 340.467 3.281 50 10 EGCAMN Cn1cccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000017180670 279367603 /nfs/dbraw/zinc/36/76/03/279367603.db2.gz HVNPYWGQHZTHFA-LCYFTJDESA-N 0 1 345.811 3.350 50 10 EGCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000000072236 452498347 /nfs/dbraw/zinc/49/83/47/452498347.db2.gz FZEDPVSGOPKZDD-WOJGMQOQSA-N 0 1 331.375 3.428 50 10 EGCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000017027625 453626494 /nfs/dbraw/zinc/62/64/94/453626494.db2.gz UHFQJVBFNDHGCA-UVTDQMKNSA-N 0 1 344.367 3.432 50 10 EGCAMN [O-]c1ccc(Br)cc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@H]12 ZINC000248095288 455680447 /nfs/dbraw/zinc/68/04/47/455680447.db2.gz XJNHERYXWJGEHS-VHDGCEQUSA-N 0 1 326.234 3.110 50 10 EGCAMN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccn3)ccc2[O-])C1 ZINC000299765854 456779668 /nfs/dbraw/zinc/77/96/68/456779668.db2.gz YRNHTWWVBPYKHS-INIZCTEOSA-N 0 1 340.423 3.229 50 10 EGCAMN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)ccc2[O-])C1 ZINC000299765854 456779675 /nfs/dbraw/zinc/77/96/75/456779675.db2.gz YRNHTWWVBPYKHS-INIZCTEOSA-N 0 1 340.423 3.229 50 10 EGCAMN Cn1cccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000001261317 279367786 /nfs/dbraw/zinc/36/77/86/279367786.db2.gz HVNPYWGQHZTHFA-UKTHLTGXSA-N 0 1 345.811 3.350 50 10 EGCAMN COc1cccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)NC2=S)c1 ZINC000000100656 452505831 /nfs/dbraw/zinc/50/58/31/452505831.db2.gz RQKVAEYLXMNUOB-NTEUORMPSA-N 0 1 342.376 3.268 50 10 EGCAMN CCOc1ccccc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O ZINC000000356232 452570318 /nfs/dbraw/zinc/57/03/18/452570318.db2.gz ZCFDUTNUSDZTEX-XNTDXEJSSA-N 0 1 342.782 3.200 50 10 EGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccs1 ZINC000000432540 452591407 /nfs/dbraw/zinc/59/14/07/452591407.db2.gz KXGTYNGQIMUCBR-XYOKQWHBSA-N 0 1 348.836 3.233 50 10 EGCAMN Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)s1 ZINC000013635328 453476950 /nfs/dbraw/zinc/47/69/50/453476950.db2.gz WPWXNNZJNPSNSN-JYRVWZFOSA-N 0 1 332.812 3.480 50 10 EGCAMN COc1ccc(N2CCN(Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000000239068 452544348 /nfs/dbraw/zinc/54/43/48/452544348.db2.gz HOSHJPVOMINOIZ-UHFFFAOYSA-N 0 1 326.440 3.334 50 10 EGCAMN CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000015769200 1291160124 /nfs/dbraw/zinc/16/01/24/1291160124.db2.gz RHEGZCRTDABJJQ-LDADJPATSA-N 0 1 348.402 3.472 50 10 EGCAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000000270392 292040090 /nfs/dbraw/zinc/04/00/90/292040090.db2.gz UIICAWPUTNYKGD-MDWZMJQESA-N 0 1 330.340 3.399 50 10 EGCAMN COc1cccc(-c2cnc(NCc3cccc(OC)c3O)n2C)c1 ZINC000009805700 453261660 /nfs/dbraw/zinc/26/16/60/453261660.db2.gz FASFRMZDHZTSAS-UHFFFAOYSA-N 0 1 339.395 3.422 50 10 EGCAMN Cc1nn(C)c(C)c1N=Nc1[nH]cnc1C(=O)NC1CCCCC1 ZINC000004817934 210286387 /nfs/dbraw/zinc/28/63/87/210286387.db2.gz UQPPMSCNCLBXDI-QZQOTICOSA-N 0 1 329.408 3.238 50 10 EGCAMN COc1cc2c(cc1OC)CN(Cc1ccc(N(C)C)cc1)CC2 ZINC000000292370 452554091 /nfs/dbraw/zinc/55/40/91/452554091.db2.gz BIYNDLKTGNKIFB-UHFFFAOYSA-N 0 1 326.440 3.328 50 10 EGCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000000451222 452595792 /nfs/dbraw/zinc/59/57/92/452595792.db2.gz VPCPPVCRLFYLMP-VGOFMYFVSA-N 0 1 349.312 3.293 50 10 EGCAMN O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000004477878 284856028 /nfs/dbraw/zinc/85/60/28/284856028.db2.gz UHFQJVBFNDHGCA-GXDHUFHOSA-N 0 1 344.367 3.432 50 10 EGCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)s1 ZINC000223247825 456055316 /nfs/dbraw/zinc/05/53/16/456055316.db2.gz HEXTULJRCNTIQQ-WQLSENKSSA-N 0 1 347.831 3.472 50 10 EGCAMN COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000000296634 452556686 /nfs/dbraw/zinc/55/66/86/452556686.db2.gz GYWPUBYIINRTFX-OQLLNIDSSA-N 0 1 342.782 3.118 50 10 EGCAMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000001879097 452681459 /nfs/dbraw/zinc/68/14/59/452681459.db2.gz NWAYTNUYCCYKRC-YBEGLDIGSA-N 0 1 337.379 3.334 50 10 EGCAMN CCCCN1C(=O)NC(=O)C(=Cc2cn(CC)c3ccccc23)C1=O ZINC000002372198 452694412 /nfs/dbraw/zinc/69/44/12/452694412.db2.gz CRYBDENLHSNWOW-RVDMUPIBSA-N 0 1 339.395 3.128 50 10 EGCAMN O=[N+]([O-])c1ccc([O-])c(C[NH+]2CCN(c3ccccc3Cl)CC2)c1 ZINC000004980522 452829608 /nfs/dbraw/zinc/82/96/08/452829608.db2.gz YTDPQVUOOVVVNI-UHFFFAOYSA-N 0 1 347.802 3.276 50 10 EGCAMN CCOc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)NC2=S)cc1 ZINC000000229378 452542935 /nfs/dbraw/zinc/54/29/35/452542935.db2.gz RECXNVIDPLENGY-GXDHUFHOSA-N 0 1 342.376 3.350 50 10 EGCAMN Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005543136 452882548 /nfs/dbraw/zinc/88/25/48/452882548.db2.gz NKDUEKMILMQTRX-DHDCSXOGSA-N 0 1 326.783 3.418 50 10 EGCAMN O=c1[nH]nc2[nH]c3c(c(-c4ccc([N+](=O)[O-])o4)c1-2)C(=O)c1ccccc1-3 ZINC000018196258 453647659 /nfs/dbraw/zinc/64/76/59/453647659.db2.gz HQENNOQCIIWUTR-UHFFFAOYSA-N 0 1 348.274 3.043 50 10 EGCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000009059094 284855009 /nfs/dbraw/zinc/85/50/09/284855009.db2.gz GYIGZACWAPWURC-JYRVWZFOSA-N 0 1 330.340 3.390 50 10 EGCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccccc1[N+](=O)[O-] ZINC000101346697 454470126 /nfs/dbraw/zinc/47/01/26/454470126.db2.gz NEMBDLSBQZACPI-UVTDQMKNSA-N 0 1 340.314 3.452 50 10 EGCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000013785601 453487933 /nfs/dbraw/zinc/48/79/33/453487933.db2.gz MBIXXZHUJVLWHK-ZSOIEALJSA-N 0 1 329.787 3.441 50 10 EGCAMN COc1ccc(O)c(CN2CCN(Cc3cccc(Cl)c3)CC2)c1 ZINC000019791422 212067949 /nfs/dbraw/zinc/06/79/49/212067949.db2.gz FHOXHLNJQGNWRP-UHFFFAOYSA-N 0 1 346.858 3.372 50 10 EGCAMN O=C1NC(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N1 ZINC000008974182 211024373 /nfs/dbraw/zinc/02/43/73/211024373.db2.gz FPGWJDJJATWIGG-UHFFFAOYSA-N 0 1 345.358 3.279 50 10 biogenic EGCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000008742734 453230800 /nfs/dbraw/zinc/23/08/00/453230800.db2.gz TZJGBNZNFZYKJQ-UHFFFAOYSA-N 0 1 343.770 3.337 50 10 EGCAMN CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc([N+](=O)[O-])cc1 ZINC000015930673 453589765 /nfs/dbraw/zinc/58/97/65/453589765.db2.gz TXWKQGYAZQJCPO-YBEGLDIGSA-N 0 1 340.314 3.452 50 10 EGCAMN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1 ZINC000015930673 453589767 /nfs/dbraw/zinc/58/97/67/453589767.db2.gz TXWKQGYAZQJCPO-YBEGLDIGSA-N 0 1 340.314 3.452 50 10 EGCAMN Cc1ccc(N2NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1C ZINC000004460729 210195605 /nfs/dbraw/zinc/19/56/05/210195605.db2.gz CCYNQATWMVMIPY-DHDCSXOGSA-N 0 1 342.782 3.124 50 10 EGCAMN Cc1ccc(N2NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1Cl ZINC000004502140 452806982 /nfs/dbraw/zinc/80/69/82/452806982.db2.gz DNSDAHRIXOHAQY-ZSOIEALJSA-N 0 1 330.746 3.249 50 10 EGCAMN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000344835 452568657 /nfs/dbraw/zinc/56/86/57/452568657.db2.gz LDJUKZFDLRSGIK-NVNXTCNLSA-N 0 1 337.766 3.283 50 10 EGCAMN COc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)NC2=S)cc1 ZINC000001247089 452648970 /nfs/dbraw/zinc/64/89/70/452648970.db2.gz CHHLHFPUVAGRDH-UKTHLTGXSA-N 0 1 344.417 3.428 50 10 EGCAMN COc1ccc(N2CCN(C[C@H](O)c3ccc(C)cc3C)CC2)cc1 ZINC000065255259 454544475 /nfs/dbraw/zinc/54/44/75/454544475.db2.gz AJHMJOYIXVDZAP-NRFANRHFSA-N 0 1 340.467 3.168 50 10 EGCAMN CCCCCCN1C(=O)NC(=O)C(=Cc2nc3ccccc3[nH]2)C1=O ZINC000008970985 211024356 /nfs/dbraw/zinc/02/43/56/211024356.db2.gz SRPLRTFVDCRCPT-QXMHVHEDSA-N 0 1 340.383 3.445 50 10 EGCAMN Cc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)NC2=S)cc1 ZINC000000447560 292126699 /nfs/dbraw/zinc/12/66/99/292126699.db2.gz NQROKIKZGKZYIB-LFIBNONCSA-N 0 1 336.416 3.135 50 10 EGCAMN CCc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 ZINC000008997408 211030053 /nfs/dbraw/zinc/03/00/53/211030053.db2.gz VRDCGIBYALCRFY-UHFFFAOYSA-N 0 1 337.379 3.246 50 10 EGCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000016309490 284865633 /nfs/dbraw/zinc/86/56/33/284865633.db2.gz RAGJGJAXSOVRAX-SBFJKYRKSA-N 0 1 334.400 3.074 50 10 EGCAMN CCc1ccc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000000304078 452558572 /nfs/dbraw/zinc/55/85/72/452558572.db2.gz GGQLVMLCOWGFLH-MHWRWJLKSA-N 0 1 326.783 3.364 50 10 EGCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O ZINC000000573847 452627881 /nfs/dbraw/zinc/62/78/81/452627881.db2.gz UIONZSKNKGJARM-XYOKQWHBSA-N 0 1 346.408 3.027 50 10 EGCAMN COc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000055543255 132195628 /nfs/dbraw/zinc/19/56/28/132195628.db2.gz CLAVJIVZXNSTCS-UHFFFAOYSA-N 0 1 325.456 3.083 50 10 EGCAMN CCOc1cccc(N2C(=O)C(=Cc3ccco3)C(=O)NC2=S)c1 ZINC000000114640 452510555 /nfs/dbraw/zinc/51/05/55/452510555.db2.gz MLDNPPVULZTXCG-GXDHUFHOSA-N 0 1 342.376 3.350 50 10 EGCAMN [O-]c1ccc(Br)cc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@@H]12 ZINC000022017474 212269515 /nfs/dbraw/zinc/26/95/15/212269515.db2.gz XJNHERYXWJGEHS-QEJZJMRPSA-N 0 1 326.234 3.110 50 10 EGCAMN CCOc1ccccc1N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000055543044 132195797 /nfs/dbraw/zinc/19/57/97/132195797.db2.gz QLKNCRQZEMRMOK-UHFFFAOYSA-N 0 1 339.483 3.474 50 10 EGCAMN COc1ccc(N2CC[NH+]([C@H]3CCCN(CC=C(C)C)C3)CC2)cc1 ZINC000020536067 453666578 /nfs/dbraw/zinc/66/65/78/453666578.db2.gz JYRAEADDLDSQDW-FQEVSTJZSA-N 0 1 343.515 3.248 50 10 EGCAMN COc1ccc(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000055715525 214339562 /nfs/dbraw/zinc/33/95/62/214339562.db2.gz RZZCNCGHCQLOKV-IBGZPJMESA-N 0 1 346.858 3.204 50 10 EGCAMN CCOc1cccc(CN2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000016662852 453617962 /nfs/dbraw/zinc/61/79/62/453617962.db2.gz GKEUWUOSVPEYGS-UHFFFAOYSA-N 0 1 343.423 3.366 50 10 EGCAMN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019791731 453659968 /nfs/dbraw/zinc/65/99/68/453659968.db2.gz SAJYOPWDHYJDOJ-GHMZBOCLSA-N 0 1 337.803 3.070 50 10 EGCAMN CCOc1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1 ZINC000000215703 452539159 /nfs/dbraw/zinc/53/91/59/452539159.db2.gz IPXNEWHDGKSGMB-UHFFFAOYSA-N 0 1 331.368 3.142 50 10 EGCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccs1 ZINC000004821782 452818934 /nfs/dbraw/zinc/81/89/34/452818934.db2.gz GYIGZACWAPWURC-MDWZMJQESA-N 0 1 330.340 3.390 50 10 EGCAMN COc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O ZINC000027501178 453817105 /nfs/dbraw/zinc/81/71/05/453817105.db2.gz NBDLDYJDFDHMBV-ZROIWOOFSA-N 0 1 342.782 3.118 50 10 EGCAMN Cc1ccc([C@@H](C)NC(=O)CNCc2ccc3c(c2)CCCO3)cc1 ZINC000065386575 454557156 /nfs/dbraw/zinc/55/71/56/454557156.db2.gz ILYPKTUIWVKYIV-MRXNPFEDSA-N 0 1 338.451 3.287 50 10 EGCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1 ZINC000000228864 452542788 /nfs/dbraw/zinc/54/27/88/452542788.db2.gz JOMFAVOGAJWDRD-XYOKQWHBSA-N 0 1 348.836 3.233 50 10 EGCAMN CCOC(=O)c1c(C)n(C)c2ccc([O-])c(C[NH+]3CCCCC3)c21 ZINC000000547292 452620201 /nfs/dbraw/zinc/62/02/01/452620201.db2.gz WCYGMKRLXIWQNS-UHFFFAOYSA-N 0 1 330.428 3.355 50 10 EGCAMN O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1cccs1 ZINC000001412511 452662193 /nfs/dbraw/zinc/66/21/93/452662193.db2.gz QBUNCRITSOVLGY-FMIVXFBMSA-N 0 1 346.458 3.294 50 10 EGCAMN CN(C)c1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 ZINC000072329477 216154156 /nfs/dbraw/zinc/15/41/56/216154156.db2.gz BSEBBPDSOZRELU-UHFFFAOYSA-N 0 1 326.425 3.134 50 10 EGCAMN CCCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000004982461 210348483 /nfs/dbraw/zinc/34/84/83/210348483.db2.gz FCQLAKKYURUXHB-QGZVFWFLSA-N 0 1 345.443 3.114 50 10 EGCAMN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000004996469 210354779 /nfs/dbraw/zinc/35/47/79/210354779.db2.gz GMNZHMFLGNAZSL-DHDCSXOGSA-N 0 1 337.766 3.283 50 10 EGCAMN CN1CC[NH+]([C@H](c2cccs2)c2ccc3cccnc3c2[O-])CC1 ZINC000020507277 290055964 /nfs/dbraw/zinc/05/59/64/290055964.db2.gz LZYJKFBBEIHIIQ-SFHVURJKSA-N 0 1 339.464 3.339 50 10 EGCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000000073237 452498237 /nfs/dbraw/zinc/49/82/37/452498237.db2.gz CCMBZGMMXFEAIB-VGOFMYFVSA-N 0 1 326.312 3.023 50 10 EGCAMN COC(=O)c1ccccc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100821571 219107847 /nfs/dbraw/zinc/10/78/47/219107847.db2.gz HLQXYIORVIMPJT-FOWTUZBSSA-N 0 1 335.363 3.192 50 10 EGCAMN O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(F)cc2)C(=O)N1 ZINC000004050222 210107921 /nfs/dbraw/zinc/10/79/21/210107921.db2.gz QXJFKOBVHIVSML-UHFFFAOYSA-N 0 1 326.283 3.208 50 10 EGCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000017242091 453631186 /nfs/dbraw/zinc/63/11/86/453631186.db2.gz WAYYVROMXWDPPM-JYRVWZFOSA-N 0 1 346.795 3.073 50 10 EGCAMN Cc1c(CCNC(=O)c2[nH]nc3c2CCC3)c2cccc3c2n1CCC3 ZINC000426511929 457847852 /nfs/dbraw/zinc/84/78/52/457847852.db2.gz AWDMQIVILPBEBE-UHFFFAOYSA-N 0 1 348.450 3.080 50 10 EGCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1[O-] ZINC000022078448 295027198 /nfs/dbraw/zinc/02/71/98/295027198.db2.gz FNNQKVZPXDTDMJ-INIZCTEOSA-N 0 1 343.383 3.431 50 10 EGCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000000444164 452593436 /nfs/dbraw/zinc/59/34/36/452593436.db2.gz MLPFYGXSXOJKHY-GHRIWEEISA-N 0 1 330.343 3.408 50 10 EGCAMN Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)o1 ZINC000001240600 452649336 /nfs/dbraw/zinc/64/93/36/452649336.db2.gz DSCDAEBOHWEYQR-DHZHZOJOSA-N 0 1 330.340 3.399 50 10 EGCAMN Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000015012472 453550224 /nfs/dbraw/zinc/55/02/24/453550224.db2.gz NRHJOUCEFHPYLD-NSIKDUERSA-N 0 1 333.750 3.067 50 10 EGCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1[N+](=O)[O-] ZINC000102580688 454510214 /nfs/dbraw/zinc/51/02/14/454510214.db2.gz ZXRCZAGMGJMIPK-UVTDQMKNSA-N 0 1 340.314 3.452 50 10 EGCAMN COc1cccc(-c2ccc(O)c(CN(C)Cc3cc(C)no3)c2)n1 ZINC000011913264 211268212 /nfs/dbraw/zinc/26/82/12/211268212.db2.gz CQSGOCBDFKBTQB-UHFFFAOYSA-N 0 1 339.395 3.391 50 10 EGCAMN CCc1cc2c3ccccc3c(=O)oc2c(C[NH+]2CCOCC2)c1[O-] ZINC000019790605 281388569 /nfs/dbraw/zinc/38/85/69/281388569.db2.gz UCSWEPKHZVLRCQ-UHFFFAOYSA-N 0 1 339.391 3.046 50 10 EGCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)[nH]1 ZINC000001293951 452651313 /nfs/dbraw/zinc/65/13/13/452651313.db2.gz QNSCALFNFLCAKT-NTEUORMPSA-N 0 1 325.393 3.303 50 10 EGCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cccs1 ZINC000006132952 452923627 /nfs/dbraw/zinc/92/36/27/452923627.db2.gz AHDHDPGWDOPSQO-NTMALXAHSA-N 0 1 348.836 3.233 50 10 EGCAMN CCCCN1C(=O)NC(=O)C(=Cc2ccc3c(c2)CCN3CC)C1=O ZINC000006240820 452926638 /nfs/dbraw/zinc/92/66/38/452926638.db2.gz YWXKWAKLQXEUHP-QINSGFPZSA-N 0 1 341.411 3.171 50 10 EGCAMN COc1ccc(N2CC[NH+]([C@@H]3CCCN(CC=C(C)C)C3)CC2)cc1 ZINC000020536065 453666416 /nfs/dbraw/zinc/66/64/16/453666416.db2.gz JYRAEADDLDSQDW-HXUWFJFHSA-N 0 1 343.515 3.248 50 10 EGCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1cccc(O)c1 ZINC000033352204 453915129 /nfs/dbraw/zinc/91/51/29/453915129.db2.gz KEOHDHMMVYEXNQ-OQLLNIDSSA-N 0 1 340.310 3.034 50 10 EGCAMN COc1ccc(O)c(CN2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000019210281 212004443 /nfs/dbraw/zinc/00/44/43/212004443.db2.gz KDNPHVDEJDWHQX-UHFFFAOYSA-N 0 1 326.440 3.027 50 10 biogenic EGCAMN CC(C)(C)c1cc(CN2CCN(CCO)CC2)c(O)c(C(C)(C)C)c1 ZINC000022916882 453701756 /nfs/dbraw/zinc/70/17/56/453701756.db2.gz VDTYKZHFCIMEIL-UHFFFAOYSA-N 0 1 348.531 3.097 50 10 EGCAMN C[NH+](C)Cc1cc(-c2nccn2-c2ccc3c(c2)OCO3)ccc1[O-] ZINC000067805132 215218352 /nfs/dbraw/zinc/21/83/52/215218352.db2.gz QSQFGEYPLFXBQZ-UHFFFAOYSA-N 0 1 337.379 3.035 50 10 EGCAMN O=C1NC(=O)C(=Cc2c3ccccc3[nH]c2-c2ccccc2)C(=O)N1 ZINC000009014064 280277233 /nfs/dbraw/zinc/27/72/33/280277233.db2.gz TWOGCANPKPEJAI-UHFFFAOYSA-N 0 1 331.331 3.425 50 10 EGCAMN Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn21 ZINC000000564739 452624441 /nfs/dbraw/zinc/62/44/41/452624441.db2.gz SHLBJLRRZKJCRW-UHFFFAOYSA-N 0 1 328.466 3.346 50 10 EGCAMN C[C@@H]1C[N@H+](Cc2c([O-])ccc3c4ccccc4c(=O)oc32)C[C@H](C)O1 ZINC000013125313 453446428 /nfs/dbraw/zinc/44/64/28/453446428.db2.gz PDSWZIXYNCJANZ-BETUJISGSA-N 0 1 339.391 3.261 50 10 EGCAMN [O-]c1ccc(Br)cc1[C@@H]1[NH2+]CC[C@@]2(O)CCCC[C@H]12 ZINC000043157549 454046489 /nfs/dbraw/zinc/04/64/89/454046489.db2.gz XJNHERYXWJGEHS-SNPRPXQTSA-N 0 1 326.234 3.110 50 10 EGCAMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(C)cc3C)CC2)cc1 ZINC000065255258 454544786 /nfs/dbraw/zinc/54/47/86/454544786.db2.gz AJHMJOYIXVDZAP-OAQYLSRUSA-N 0 1 340.467 3.168 50 10 EGCAMN CN1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000049740655 454559543 /nfs/dbraw/zinc/55/95/43/454559543.db2.gz ROHTTZHVALHXEH-UHFFFAOYSA-N 0 1 343.858 3.022 50 10 EGCAMN CCN1c2ccccc2SC1=CC=CC=C1C(=O)NC(=O)NC1=O ZINC000032703940 546537094 /nfs/dbraw/zinc/53/70/94/546537094.db2.gz ZOQGKXRACSDRCP-RAHVQBMYSA-N 0 1 341.392 3.149 50 10 EGCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000000478895 452603736 /nfs/dbraw/zinc/60/37/36/452603736.db2.gz OJIKYFZKHMWIAV-FMIVXFBMSA-N 0 1 342.445 3.196 50 10 EGCAMN CC[C@@H](c1nc(C)no1)n1ccnc1-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000077375442 454098431 /nfs/dbraw/zinc/09/84/31/454098431.db2.gz YQHULDBTVSLIOM-HNNXBMFYSA-N 0 1 341.415 3.008 50 10 EGCAMN COc1ccc(O)c(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019792284 212068215 /nfs/dbraw/zinc/06/82/15/212068215.db2.gz HHWZBEXLGGIMHH-UHFFFAOYSA-N 0 1 346.858 3.372 50 10 EGCAMN CC(C)(C)N1C(=O)NC(=O)/C(=C\c2c(Cl)cccc2Cl)C1=O ZINC000000192702 277149325 /nfs/dbraw/zinc/14/93/25/277149325.db2.gz VNFYPFMHIXJORP-VQHVLOKHSA-N 0 1 341.194 3.254 50 10 EGCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000008997549 453239299 /nfs/dbraw/zinc/23/92/99/453239299.db2.gz ILXHPAOQRLJXKG-UHFFFAOYSA-N 0 1 343.770 3.337 50 10 EGCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000013801643 453490529 /nfs/dbraw/zinc/49/05/29/453490529.db2.gz CCMBZGMMXFEAIB-AUWJEWJLSA-N 0 1 326.312 3.023 50 10 EGCAMN CC1(C)OC(=O)C(=CN=c2[nH]c(-c3ccc(F)cc3)cs2)C(=O)O1 ZINC000035592624 453924325 /nfs/dbraw/zinc/92/43/25/453924325.db2.gz AQXIJAPOBNNFSY-UHFFFAOYSA-N 0 1 348.355 3.081 50 10 EGCAMN COc1ccc(CN2CCN(C/C=C/c3ccccc3)CC2)c(O)c1 ZINC000019634003 202015489 /nfs/dbraw/zinc/01/54/89/202015489.db2.gz NIRKRXPRDYRHNN-VMPITWQZSA-N 0 1 338.451 3.232 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000000186993 292040108 /nfs/dbraw/zinc/04/01/08/292040108.db2.gz WAYYVROMXWDPPM-MDWZMJQESA-N 0 1 346.795 3.073 50 10 EGCAMN Cn1cc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)c2ccccc21 ZINC000006238683 279324350 /nfs/dbraw/zinc/32/43/50/279324350.db2.gz UTAPCOYZBSJGBK-LCYFTJDESA-N 0 1 325.368 3.279 50 10 EGCAMN Cc1cc(C)cc(N2C(=O)/C(=C\c3ccsc3)C(=O)NC2=S)c1 ZINC000004724068 301225526 /nfs/dbraw/zinc/22/55/26/301225526.db2.gz BIESBEPQLIQWED-ZSOIEALJSA-N 0 1 342.445 3.196 50 10 EGCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1 ZINC000013549142 453470323 /nfs/dbraw/zinc/47/03/23/453470323.db2.gz ZRBPFRLPQKSRGL-KAMYIIQDSA-N 0 1 330.409 3.100 50 10 EGCAMN O=C(c1ccco1)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000019902824 212081503 /nfs/dbraw/zinc/08/15/03/212081503.db2.gz KWSZFBMMIUCATB-UHFFFAOYSA-N 0 1 336.391 3.096 50 10 EGCAMN O=C1N=C(N2CCN3CCC[C@@H]3C2)S/C1=C/c1ccc(Cl)cc1 ZINC000020607842 296355045 /nfs/dbraw/zinc/35/50/45/296355045.db2.gz DNQNEKWKCMCXMI-MFYHJKBNSA-N 0 1 347.871 3.090 50 10 EGCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000008973119 280277255 /nfs/dbraw/zinc/27/72/55/280277255.db2.gz TXOBURLCYAVOGC-BENRWUELSA-N 0 1 338.367 3.198 50 10 EGCAMN COc1ccc([C@H](O)c2coc3ccc([O-])c(C[NH+](C)C)c32)cc1 ZINC000004197720 452797586 /nfs/dbraw/zinc/79/75/86/452797586.db2.gz IGMZSFPLLKGYRO-IBGZPJMESA-N 0 1 327.380 3.290 50 10 EGCAMN CN1CCN(c2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000049740654 454559840 /nfs/dbraw/zinc/55/98/40/454559840.db2.gz XPINCWBZAUQLRL-UHFFFAOYSA-N 0 1 343.858 3.022 50 10 EGCAMN C[NH+](C)Cc1c2c3ccnc4c3n(c2ccc1[O-])c(=O)c1ccccc14 ZINC000006624568 452960925 /nfs/dbraw/zinc/96/09/25/452960925.db2.gz HVJBBKOMQCZWEK-UHFFFAOYSA-N 0 1 343.386 3.359 50 10 biogenic EGCAMN COc1ccc(OC)c(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c1 ZINC000100870233 454467968 /nfs/dbraw/zinc/46/79/68/454467968.db2.gz VHAKJAKNQVQSIZ-FOWTUZBSSA-N 0 1 337.379 3.422 50 10 EGCAMN COc1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019609015 202015624 /nfs/dbraw/zinc/01/56/24/202015624.db2.gz LKOBJRSGVWILBT-VMPITWQZSA-N 0 1 338.451 3.232 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)o1 ZINC000000432732 292040184 /nfs/dbraw/zinc/04/01/84/292040184.db2.gz SRMIPMNDSRGKDD-MDWZMJQESA-N 0 1 346.795 3.073 50 10 EGCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000004783805 280279224 /nfs/dbraw/zinc/27/92/24/280279224.db2.gz XVMLYJSNFUNHIV-GXDHUFHOSA-N 0 1 332.787 3.135 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000445889 452593185 /nfs/dbraw/zinc/59/31/85/452593185.db2.gz STLGKBCCSVCHLP-LFIBNONCSA-N 0 1 336.416 3.135 50 10 EGCAMN COc1ccc(N2CCN(C[C@H](O)c3cc(C)ccc3C)CC2)cc1 ZINC000065255261 454545745 /nfs/dbraw/zinc/54/57/45/454545745.db2.gz CUOIRRSPRPZDDM-NRFANRHFSA-N 0 1 340.467 3.168 50 10 EGCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000015769839 1291160329 /nfs/dbraw/zinc/16/03/29/1291160329.db2.gz GCXGSDMJMMLCFL-FLIBITNWSA-N 0 1 346.795 3.073 50 10 EGCAMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000008741273 278620043 /nfs/dbraw/zinc/62/00/43/278620043.db2.gz CULNREIDZZPCFG-UHFFFAOYSA-N 0 1 337.379 3.301 50 10 EGCAMN COc1ccccc1N1C(=O)C(=Cc2ccc(C)o2)C(=O)NC1=S ZINC000001261211 452651824 /nfs/dbraw/zinc/65/18/24/452651824.db2.gz SKUYXXUCHQCAJL-FMIVXFBMSA-N 0 1 342.376 3.268 50 10 EGCAMN COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)NC2=S)cc1 ZINC000000267905 452550128 /nfs/dbraw/zinc/55/01/28/452550128.db2.gz QRZBWSAGQZLCSJ-NTEUORMPSA-N 0 1 342.376 3.268 50 10 EGCAMN COc1c(CNCc2ccc3c(c2)CCCN3C)c(C(C)C)nn1C ZINC000065474771 454572709 /nfs/dbraw/zinc/57/27/09/454572709.db2.gz CSGGPANDOQSZPB-UHFFFAOYSA-N 0 1 342.487 3.224 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)s1 ZINC000000573861 452628656 /nfs/dbraw/zinc/62/86/56/452628656.db2.gz BJFNZMBXSYHJED-MDWZMJQESA-N 0 1 346.408 3.027 50 10 EGCAMN Cc1ccc(-c2csc(=NC=C3C(=O)OC(C)(C)OC3=O)[nH]2)cc1 ZINC000002543494 452704351 /nfs/dbraw/zinc/70/43/51/452704351.db2.gz GOZNRJONTNNVAT-UHFFFAOYSA-N 0 1 344.392 3.250 50 10 EGCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C ZINC000033903035 453918465 /nfs/dbraw/zinc/91/84/65/453918465.db2.gz APXUXOZGUMXQJE-MHWRWJLKSA-N 0 1 337.379 3.144 50 10 EGCAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)c1 ZINC000003877759 210082279 /nfs/dbraw/zinc/08/22/79/210082279.db2.gz IGEDVNBXZOPMBY-UHFFFAOYSA-N 0 1 344.348 3.254 50 10 EGCAMN CC(C)(C)c1cc(C=C2C(=O)NC(=O)NC2=O)cc(C(C)(C)C)c1 ZINC000011027287 211201279 /nfs/dbraw/zinc/20/12/79/211201279.db2.gz TWHNQIWOJFIUGW-UHFFFAOYSA-N 0 1 328.412 3.031 50 10 EGCAMN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccn3)ccc2[O-])C1 ZINC000299765868 258006093 /nfs/dbraw/zinc/00/60/93/258006093.db2.gz YRNHTWWVBPYKHS-MRXNPFEDSA-N 0 1 340.423 3.229 50 10 EGCAMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccn3)ccc2[O-])C1 ZINC000299765868 258006094 /nfs/dbraw/zinc/00/60/94/258006094.db2.gz YRNHTWWVBPYKHS-MRXNPFEDSA-N 0 1 340.423 3.229 50 10 EGCAMN CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000002065643 452685791 /nfs/dbraw/zinc/68/57/91/452685791.db2.gz YBPDCXMQUKPTKA-UKTHLTGXSA-N 0 1 344.754 3.082 50 10 EGCAMN CCc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 ZINC000032109786 453864866 /nfs/dbraw/zinc/86/48/66/453864866.db2.gz GGQLVMLCOWGFLH-YBEGLDIGSA-N 0 1 326.783 3.364 50 10 EGCAMN CCOc1cccc(CN2CCN(c3ccccc3OC)CC2)c1O ZINC000055292312 214302960 /nfs/dbraw/zinc/30/29/60/214302960.db2.gz RGHUDWAEFYJZBJ-UHFFFAOYSA-N 0 1 342.439 3.122 50 10 EGCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000008768814 211001827 /nfs/dbraw/zinc/00/18/27/211001827.db2.gz QOGBMQGYYSHBGT-ZSOIEALJSA-N 0 1 335.319 3.263 50 10 EGCAMN CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2 ZINC000019287537 453655502 /nfs/dbraw/zinc/65/55/02/453655502.db2.gz AOUVLNIWIBVXMK-UHFFFAOYSA-N 0 1 337.261 3.201 50 10 EGCAMN COc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000055715527 214339506 /nfs/dbraw/zinc/33/95/06/214339506.db2.gz RZZCNCGHCQLOKV-LJQANCHMSA-N 0 1 346.858 3.204 50 10 EGCAMN Oc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1O ZINC000217894762 241281353 /nfs/dbraw/zinc/28/13/53/241281353.db2.gz WQIFRTBBSWPVEZ-UHFFFAOYSA-N 0 1 349.302 3.347 50 10 biogenic EGCAMN Cc1ccsc1/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000015769811 1291159603 /nfs/dbraw/zinc/15/96/03/1291159603.db2.gz GNRDHRCZBXXMIE-SDNWHVSQSA-N 0 1 344.436 3.409 50 10 EGCAMN Cc1ccsc1/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000000450297 1291019870 /nfs/dbraw/zinc/01/98/70/1291019870.db2.gz GNRDHRCZBXXMIE-KAMYIIQDSA-N 0 1 344.436 3.409 50 10 EGCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 ZINC000004501957 210206725 /nfs/dbraw/zinc/20/67/25/210206725.db2.gz ZMYVSOZETXJCRI-UVTDQMKNSA-N 0 1 332.281 3.167 50 10 EGCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000005059222 284865886 /nfs/dbraw/zinc/86/58/86/284865886.db2.gz JDIDXMIQPZADHS-GXDHUFHOSA-N 0 1 342.807 3.171 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000000450336 292040225 /nfs/dbraw/zinc/04/02/25/292040225.db2.gz GCXGSDMJMMLCFL-DHZHZOJOSA-N 0 1 346.795 3.073 50 10 EGCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1 ZINC000000312480 452562489 /nfs/dbraw/zinc/56/24/89/452562489.db2.gz BIESBEPQLIQWED-RIYZIHGNSA-N 0 1 342.445 3.196 50 10 EGCAMN CC[C@H](c1nc(C)no1)n1ccnc1-c1ccc([O-])c(C[NH+](C)C)c1 ZINC000077375446 454098422 /nfs/dbraw/zinc/09/84/22/454098422.db2.gz YQHULDBTVSLIOM-OAHLLOKOSA-N 0 1 341.415 3.008 50 10 EGCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000009136872 211044277 /nfs/dbraw/zinc/04/42/77/211044277.db2.gz MLPFYGXSXOJKHY-LGMDPLHJSA-N 0 1 330.343 3.408 50 10 EGCAMN [O-]c1ccc(Br)cc1[C@@H]1[NH2+]CC[C@]2(O)CCCC[C@@H]12 ZINC000022017481 453685467 /nfs/dbraw/zinc/68/54/67/453685467.db2.gz XJNHERYXWJGEHS-AEGPPILISA-N 0 1 326.234 3.110 50 10 EGCAMN COc1cc([N+](=O)[O-])cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1[O-] ZINC000022078444 212277173 /nfs/dbraw/zinc/27/71/73/212277173.db2.gz FNNQKVZPXDTDMJ-MRXNPFEDSA-N 0 1 343.383 3.431 50 10 EGCAMN COc1ccc(O)c(CN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000020807377 212173996 /nfs/dbraw/zinc/17/39/96/212173996.db2.gz JJOTWMFMADDLMQ-UHFFFAOYSA-N 0 1 346.858 3.372 50 10 EGCAMN CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000000315244 452562398 /nfs/dbraw/zinc/56/23/98/452562398.db2.gz ZUICYHSFKVTBBI-RVDMUPIBSA-N 0 1 342.782 3.200 50 10 EGCAMN Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000004602966 452810368 /nfs/dbraw/zinc/81/03/68/452810368.db2.gz BYDVMGPNGDVLLR-XYOKQWHBSA-N 0 1 346.408 3.027 50 10 EGCAMN COc1cccc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O ZINC000023281895 453707708 /nfs/dbraw/zinc/70/77/08/453707708.db2.gz FBZCIJLCORZAHV-RMKNXTFCSA-N 0 1 338.451 3.232 50 10 EGCAMN [O-]c1c(F)cccc1C[N@@H+](CCCn1ccnc1)Cc1cccnc1 ZINC000055309070 214305108 /nfs/dbraw/zinc/30/51/08/214305108.db2.gz JAFAAXJLTLGVFW-UHFFFAOYSA-N 0 1 340.402 3.215 50 10 EGCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)s1 ZINC000100161632 219093351 /nfs/dbraw/zinc/09/33/51/219093351.db2.gz DJLALVCZBOBJFA-ZROIWOOFSA-N 0 1 341.440 3.436 50 10 EGCAMN O=c1[nH]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1cccc(Cl)c1 ZINC000103674869 219320293 /nfs/dbraw/zinc/32/02/93/219320293.db2.gz PUAFLNVMPYKYQF-FMQUCBEESA-N 0 1 343.774 3.264 50 10 EGCAMN CCCCCOc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000039379037 213236434 /nfs/dbraw/zinc/23/64/34/213236434.db2.gz GIZXEPFSGVRWAU-UHFFFAOYSA-N 0 1 333.384 3.388 50 10 EGCAMN COc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2C)cc1 ZINC000009805809 211123694 /nfs/dbraw/zinc/12/36/94/211123694.db2.gz YJWLTOLQGGFSJZ-UHFFFAOYSA-N 0 1 339.395 3.422 50 10 EGCAMN Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)s1 ZINC000022215539 292040165 /nfs/dbraw/zinc/04/01/65/292040165.db2.gz ZRHCTPGBIWNRSG-FLIBITNWSA-N 0 1 346.408 3.027 50 10 EGCAMN Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000004743347 452817160 /nfs/dbraw/zinc/81/71/60/452817160.db2.gz CPAZBAPFTSFXLJ-NTMALXAHSA-N 0 1 346.408 3.027 50 10 EGCAMN CCOc1cccc(CN2CCN(c3ccccc3F)CC2)c1O ZINC000016662748 453618316 /nfs/dbraw/zinc/61/83/16/453618316.db2.gz RKQQGQDFRBLGBP-UHFFFAOYSA-N 0 1 330.403 3.252 50 10 EGCAMN O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000017028546 453626672 /nfs/dbraw/zinc/62/66/72/453626672.db2.gz QSEQMXXBAUHIOR-DHDCSXOGSA-N 0 1 340.310 3.034 50 10 EGCAMN COc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1C[NH+](C)C ZINC000008764276 211002194 /nfs/dbraw/zinc/00/21/94/211002194.db2.gz OQSSEBVUBPPISU-UHFFFAOYSA-N 0 1 325.364 3.236 50 10 biogenic EGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccsc1 ZINC000000045630 284865882 /nfs/dbraw/zinc/86/58/82/284865882.db2.gz RVLUQWKSJUGSRV-KPKJPENVSA-N 0 1 348.836 3.233 50 10 EGCAMN CCCOC(=O)C1C(C)=NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 ZINC000004982463 210348241 /nfs/dbraw/zinc/34/82/41/210348241.db2.gz FCQLAKKYURUXHB-KRWDZBQOSA-N 0 1 345.443 3.114 50 10 EGCAMN COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000013600982 453474607 /nfs/dbraw/zinc/47/46/07/453474607.db2.gz GYWPUBYIINRTFX-DHDCSXOGSA-N 0 1 342.782 3.118 50 10 EGCAMN COc1ccc([C@@H](O)c2coc3ccc([O-])c(C[NH+](C)C)c32)cc1 ZINC000004197718 210144325 /nfs/dbraw/zinc/14/43/25/210144325.db2.gz IGMZSFPLLKGYRO-LJQANCHMSA-N 0 1 327.380 3.290 50 10 EGCAMN O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3C2)c([O-])c2ncccc12 ZINC000000210229 452537131 /nfs/dbraw/zinc/53/71/31/452537131.db2.gz JYBGCXBKDUHTCE-UHFFFAOYSA-N 0 1 335.363 3.407 50 10 EGCAMN COC(=O)c1sccc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100278037 219096234 /nfs/dbraw/zinc/09/62/34/219096234.db2.gz ISDHQEHLQZTKRX-JLHYYAGUSA-N 0 1 341.392 3.253 50 10 EGCAMN CN(C)c1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1 ZINC000003906349 210090105 /nfs/dbraw/zinc/09/01/05/210090105.db2.gz QGLBGWZQCXQSPF-FMIVXFBMSA-N 0 1 333.395 3.063 50 10 EGCAMN Cc1cccc(N2C(=O)C(=Cc3cccn3C)C(=O)NC2=S)c1 ZINC000001303939 452653691 /nfs/dbraw/zinc/65/36/91/452653691.db2.gz YEAXOLZBAXTLHF-GXDHUFHOSA-N 0 1 325.393 3.005 50 10 EGCAMN CCc1nnc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)s1 ZINC000100161641 219093774 /nfs/dbraw/zinc/09/37/74/219093774.db2.gz QDAAULQQCYQXQV-WQLSENKSSA-N 0 1 347.831 3.472 50 10 EGCAMN Cc1cnc(C)c(-c2ccc([O-])c(C[NH2+]CCc3ccccn3)c2)n1 ZINC000299771034 258083812 /nfs/dbraw/zinc/08/38/12/258083812.db2.gz YOGMEROXCKRFLN-UHFFFAOYSA-N 0 1 334.423 3.193 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000000468984 292040133 /nfs/dbraw/zinc/04/01/33/292040133.db2.gz KRXPJHPVRXKBTH-OQLLNIDSSA-N 0 1 340.404 3.036 50 10 EGCAMN O=C(NC1CCCC1)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000000819226 452637189 /nfs/dbraw/zinc/63/71/89/452637189.db2.gz KMECYVFMELEMPW-UHFFFAOYSA-N 0 1 336.863 3.316 50 10 EGCAMN Cc1ccc([C@H](C)NC(=O)CNCc2ccc3c(c2)CCCO3)cc1 ZINC000065386576 454557914 /nfs/dbraw/zinc/55/79/14/454557914.db2.gz ILYPKTUIWVKYIV-INIZCTEOSA-N 0 1 338.451 3.287 50 10 EGCAMN CCOc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000055292006 1291778801 /nfs/dbraw/zinc/77/88/01/1291778801.db2.gz UDUFXXPTEYCARI-UHFFFAOYSA-N 0 1 342.439 3.122 50 10 EGCAMN CCn1nc(C)c(CN(CCOC)Cc2cc(F)ccc2O)c1C ZINC000055252818 214296661 /nfs/dbraw/zinc/29/66/61/214296661.db2.gz UHFCNGABRXJCGG-UHFFFAOYSA-N 0 1 335.423 3.013 50 10 EGCAMN CC(C)c1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1 ZINC000001406983 276054106 /nfs/dbraw/zinc/05/41/06/276054106.db2.gz KUEJADYSPIXLLC-XNTDXEJSSA-N 0 1 340.404 3.234 50 10 EGCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000038183085 280277248 /nfs/dbraw/zinc/27/72/48/280277248.db2.gz TXOBURLCYAVOGC-ZRDIBKRKSA-N 0 1 338.367 3.198 50 10 EGCAMN Cc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)NC2=S)cc1 ZINC000000447509 452594314 /nfs/dbraw/zinc/59/43/14/452594314.db2.gz IFRNOVQSBRUQQX-BDKUJZOCSA-N 0 1 348.427 3.383 50 10 EGCAMN COc1ccccc1N1C(=O)C(=Cc2ccc(C)o2)C(=O)NC1=S ZINC000001261212 452650753 /nfs/dbraw/zinc/65/07/53/452650753.db2.gz SKUYXXUCHQCAJL-XFXZXTDPSA-N 0 1 342.376 3.268 50 10 EGCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000001301998 452653320 /nfs/dbraw/zinc/65/33/20/452653320.db2.gz TZIACVAYKVLEBG-XYOKQWHBSA-N 0 1 331.784 3.340 50 10 EGCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1C(F)(F)F ZINC000004501956 452806258 /nfs/dbraw/zinc/80/62/58/452806258.db2.gz IUSFFNMADAHVQX-JLHYYAGUSA-N 0 1 332.281 3.167 50 10 EGCAMN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013125331 453446194 /nfs/dbraw/zinc/44/61/94/453446194.db2.gz SAJYOPWDHYJDOJ-PHIMTYICSA-N 0 1 337.803 3.070 50 10 EGCAMN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013125331 453446198 /nfs/dbraw/zinc/44/61/98/453446198.db2.gz SAJYOPWDHYJDOJ-PHIMTYICSA-N 0 1 337.803 3.070 50 10 EGCAMN COc1ccc(N2CCN(C[C@@H](O)c3cc(C)ccc3C)CC2)cc1 ZINC000065255260 454545617 /nfs/dbraw/zinc/54/56/17/454545617.db2.gz CUOIRRSPRPZDDM-OAQYLSRUSA-N 0 1 340.467 3.168 50 10 EGCAMN Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000000457701 452599416 /nfs/dbraw/zinc/59/94/16/452599416.db2.gz NRHJOUCEFHPYLD-MKMNVTDBSA-N 0 1 333.750 3.067 50 10 EGCAMN COc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000012462290 211388117 /nfs/dbraw/zinc/38/81/17/211388117.db2.gz FCIPHUGWENYKHB-DHDCSXOGSA-N 0 1 342.782 3.118 50 10 EGCAMN CCCCN1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008974283 211023749 /nfs/dbraw/zinc/02/37/49/211023749.db2.gz QVFOXGYGUUVQFV-UVTDQMKNSA-N 0 1 325.368 3.281 50 10 EGCAMN CCOc1ccccc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O ZINC000032109821 453864969 /nfs/dbraw/zinc/86/49/69/453864969.db2.gz ZCFDUTNUSDZTEX-GDNBJRDFSA-N 0 1 342.782 3.200 50 10 EGCAMN CN1CCN(c2ccc(CNC(=O)c3ccccc3Cl)cc2)CC1 ZINC000049740653 454559748 /nfs/dbraw/zinc/55/97/48/454559748.db2.gz AAKGZLBZNYTXQZ-UHFFFAOYSA-N 0 1 343.858 3.022 50 10 EGCAMN Cc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000207341975 547237402 /nfs/dbraw/zinc/23/74/02/547237402.db2.gz NKDUEKMILMQTRX-OQLLNIDSSA-N 0 1 326.783 3.418 50 10 EGCAMN Cc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019791732 291658826 /nfs/dbraw/zinc/65/88/26/291658826.db2.gz SAJYOPWDHYJDOJ-QWRGUYRKSA-N 0 1 337.803 3.070 50 10 EGCAMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000014009269 258056350 /nfs/dbraw/zinc/05/63/50/258056350.db2.gz LZBPRDUNDSUHTR-ZSOIEALJSA-N 0 1 326.312 3.023 50 10 EGCAMN Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000017027993 453626061 /nfs/dbraw/zinc/62/60/61/453626061.db2.gz QUYBMJHCUBNSFC-RIYZIHGNSA-N 0 1 328.299 3.229 50 10 EGCAMN O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/C=C/c1ccco1 ZINC000000502522 209638146 /nfs/dbraw/zinc/63/81/46/209638146.db2.gz CIFCHVMLEBKERO-PVZXKMMOSA-N 0 1 340.379 3.188 50 10 EGCAMN O=C1N=C(N2CCN3CCC[C@H]3C2)S/C1=C/c1ccc(Cl)cc1 ZINC000020607844 296355103 /nfs/dbraw/zinc/35/51/03/296355103.db2.gz DNQNEKWKCMCXMI-GWQWUEFDSA-N 0 1 347.871 3.090 50 10 EGCAMN