smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000001124793 219375102 /nfs/dbraw/zinc/37/51/02/219375102.db2.gz JUSBSASPLOESCJ-UHFFFAOYSA-N 1 2 365.824 4.090 50 0 FIAALO COc1ccc(Cl)cc1-c1nn(C[N@@H+]2CCCC[C@@H]2C)c(=S)o1 ZINC000001184472 219386747 /nfs/dbraw/zinc/38/67/47/219386747.db2.gz UEMNFMJNRXKUCW-NSHDSACASA-N 1 2 353.875 4.366 50 0 FIAALO COc1ccc(Cl)cc1-c1nn(C[N@H+]2CCCC[C@@H]2C)c(=S)o1 ZINC000001184472 219386750 /nfs/dbraw/zinc/38/67/50/219386750.db2.gz UEMNFMJNRXKUCW-NSHDSACASA-N 1 2 353.875 4.366 50 0 FIAALO Cc1ccc2c(c1)S[C@H](C(=O)N[C@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000012550356 220006557 /nfs/dbraw/zinc/00/65/57/220006557.db2.gz TXNDKEWOBFZYFT-QRWLVFNGSA-N 1 2 363.486 4.075 50 0 FIAALO O=C(NC1CCCCCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000003045566 204076160 /nfs/dbraw/zinc/07/61/60/204076160.db2.gz VHQAOACRQMABKY-UHFFFAOYSA-N 1 2 354.498 4.008 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000003265741 204085772 /nfs/dbraw/zinc/08/57/72/204085772.db2.gz AJGJMGVQSMZFJC-UHFFFAOYSA-N 1 2 367.449 4.093 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(F)cc1 ZINC000003265741 204085777 /nfs/dbraw/zinc/08/57/77/204085777.db2.gz AJGJMGVQSMZFJC-UHFFFAOYSA-N 1 2 367.449 4.093 50 0 FIAALO Cc1sc2[nH]c(C[NH+]3CCC(C)CC3)nc(=O)c2c1-c1ccccc1 ZINC000003336983 204092786 /nfs/dbraw/zinc/09/27/86/204092786.db2.gz VTRNVWPISCXKIX-UHFFFAOYSA-N 1 2 353.491 4.192 50 0 FIAALO CCN(CC)c1ccc(NC(=O)C[N@H+](C)Cc2ccccc2Cl)cc1 ZINC000003363687 204094654 /nfs/dbraw/zinc/09/46/54/204094654.db2.gz PAFRNTFMSZCWPP-UHFFFAOYSA-N 1 2 359.901 4.257 50 0 FIAALO CCN(CC)c1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2Cl)cc1 ZINC000003363687 204094658 /nfs/dbraw/zinc/09/46/58/204094658.db2.gz PAFRNTFMSZCWPP-UHFFFAOYSA-N 1 2 359.901 4.257 50 0 FIAALO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000003584066 204107209 /nfs/dbraw/zinc/10/72/09/204107209.db2.gz RKCFEYJGVXWUQJ-UHFFFAOYSA-N 1 2 353.249 4.073 50 0 FIAALO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000003584066 204107213 /nfs/dbraw/zinc/10/72/13/204107213.db2.gz RKCFEYJGVXWUQJ-UHFFFAOYSA-N 1 2 353.249 4.073 50 0 FIAALO COc1cccc(CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)c1 ZINC000005518345 204213496 /nfs/dbraw/zinc/21/34/96/204213496.db2.gz UZMRKCKCNBHWBD-UHFFFAOYSA-N 1 2 362.458 4.425 50 0 FIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Br)cc1C ZINC000005627852 204218564 /nfs/dbraw/zinc/21/85/64/204218564.db2.gz CNZZEQKFGYPFHN-UHFFFAOYSA-N 1 2 358.239 4.054 50 0 FIAALO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(OC(F)F)cc1 ZINC000005938196 204231402 /nfs/dbraw/zinc/23/14/02/204231402.db2.gz YBPYWDVGDDQDDD-UHFFFAOYSA-N 1 2 372.774 4.151 50 0 FIAALO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)Cc1ccc(OC(F)F)cc1 ZINC000005938196 204231407 /nfs/dbraw/zinc/23/14/07/204231407.db2.gz YBPYWDVGDDQDDD-UHFFFAOYSA-N 1 2 372.774 4.151 50 0 FIAALO Cc1ccc2[nH+]c(CSc3nnc(C4CC4)n3-c3ccccc3)cn2c1 ZINC000006105695 204237361 /nfs/dbraw/zinc/23/73/61/204237361.db2.gz DXTHXXLTWUKNSX-UHFFFAOYSA-N 1 2 361.474 4.393 50 0 FIAALO Cc1ccccc1SCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000006648462 204258467 /nfs/dbraw/zinc/25/84/67/204258467.db2.gz PBXZTXNOKFHGGQ-MRXNPFEDSA-N 1 2 351.475 4.150 50 0 FIAALO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000006976244 204284439 /nfs/dbraw/zinc/28/44/39/204284439.db2.gz ZRKHMJLNHXRGJZ-LLVKDONJSA-N 1 2 357.306 4.364 50 0 FIAALO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1)c1cccs1 ZINC000006976244 204284443 /nfs/dbraw/zinc/28/44/43/204284443.db2.gz ZRKHMJLNHXRGJZ-LLVKDONJSA-N 1 2 357.306 4.364 50 0 FIAALO COc1cccc(OC)c1C(=O)Nc1ccc(-n2cc[nH+]c2C(C)C)cc1 ZINC000006659419 204259195 /nfs/dbraw/zinc/25/91/95/204259195.db2.gz MVLZMIQEOXZDNZ-UHFFFAOYSA-N 1 2 365.433 4.265 50 0 FIAALO Cc1cccc(Cn2cc[nH+]c2CN(C(=O)c2ccc(F)cc2)C(C)C)c1 ZINC000006696630 204261428 /nfs/dbraw/zinc/26/14/28/204261428.db2.gz NNHFWLSBUCANCH-UHFFFAOYSA-N 1 2 365.452 4.430 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000009317019 204361799 /nfs/dbraw/zinc/36/17/99/204361799.db2.gz RUIFPGNIYPNLHA-INIZCTEOSA-N 1 2 358.804 4.124 50 0 FIAALO Cc1cc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)ccc1F ZINC000009478592 204369646 /nfs/dbraw/zinc/36/96/46/204369646.db2.gz WGKNRDHYVXRWFV-UHFFFAOYSA-N 1 2 351.360 4.014 50 0 FIAALO COc1ccc(Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)cc1 ZINC000012659242 204485125 /nfs/dbraw/zinc/48/51/25/204485125.db2.gz AAILXQNJFVJPCE-UHFFFAOYSA-N 1 2 369.475 4.230 50 0 FIAALO C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)c1ccccc1 ZINC000029328363 204898473 /nfs/dbraw/zinc/89/84/73/204898473.db2.gz JHBBRFPFADGYCM-RDTXWAMCSA-N 1 2 368.868 4.223 50 0 FIAALO COc1cccc(-c2csc3[nH]c(C[N@@H+]4CCCC[C@H]4C)nc(=O)c23)c1 ZINC000036204026 205007335 /nfs/dbraw/zinc/00/73/35/205007335.db2.gz ZHFWNSIGQFHCFC-CYBMUJFWSA-N 1 2 369.490 4.035 50 0 FIAALO COc1cccc(-c2csc3[nH]c(C[N@H+]4CCCC[C@H]4C)nc(=O)c23)c1 ZINC000036204026 205007338 /nfs/dbraw/zinc/00/73/38/205007338.db2.gz ZHFWNSIGQFHCFC-CYBMUJFWSA-N 1 2 369.490 4.035 50 0 FIAALO CC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@H](c2cccs2)c2ccccc2)c1C ZINC000037190259 205025058 /nfs/dbraw/zinc/02/50/58/205025058.db2.gz JHBPRCBSOALQKL-OAQYLSRUSA-N 1 2 366.486 4.458 50 0 FIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000048501619 205164051 /nfs/dbraw/zinc/16/40/51/205164051.db2.gz RNVAHANSGZOYHE-UHFFFAOYSA-N 1 2 373.460 4.293 50 0 FIAALO Cc1nc(C[NH2+]Cc2cccc(NC(=O)c3ccc(C)cc3)c2)cs1 ZINC000048779261 205166671 /nfs/dbraw/zinc/16/66/71/205166671.db2.gz BKRGCVZKTZVFAQ-UHFFFAOYSA-N 1 2 351.475 4.302 50 0 FIAALO Cc1ccsc1C[N@H+](Cc1ccccn1)Cc1cccc2c1OCO2 ZINC000055119204 205207982 /nfs/dbraw/zinc/20/79/82/205207982.db2.gz IWERDMMQZWNUQN-UHFFFAOYSA-N 1 2 352.459 4.383 50 0 FIAALO Cc1ccsc1C[N@@H+](Cc1ccccn1)Cc1cccc2c1OCO2 ZINC000055119204 205207985 /nfs/dbraw/zinc/20/79/85/205207985.db2.gz IWERDMMQZWNUQN-UHFFFAOYSA-N 1 2 352.459 4.383 50 0 FIAALO CCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000057301806 205236493 /nfs/dbraw/zinc/23/64/93/205236493.db2.gz XVELDBZHBLEZHS-RZUBCFFCSA-N 1 2 353.462 4.465 50 0 FIAALO CC[C@@H](c1nn2c(C[NH+]3CCCCCC3)nnc2s1)c1ccccc1 ZINC000057524624 205243207 /nfs/dbraw/zinc/24/32/07/205243207.db2.gz DORQFYSYCRNZKB-MRXNPFEDSA-N 1 2 355.511 4.104 50 0 FIAALO CCOc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000058096427 205249055 /nfs/dbraw/zinc/24/90/55/205249055.db2.gz ZPADMSXDRXIJJE-UHFFFAOYSA-N 1 2 373.497 4.087 50 0 FIAALO CCOc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000058096427 205249057 /nfs/dbraw/zinc/24/90/57/205249057.db2.gz ZPADMSXDRXIJJE-UHFFFAOYSA-N 1 2 373.497 4.087 50 0 FIAALO COc1cc(OC)c(C2=CC[N@H+](Cc3cccnc3Cl)CC2)c(OC)c1 ZINC000058175200 205253822 /nfs/dbraw/zinc/25/38/22/205253822.db2.gz FFAVCYBCRBHMBH-UHFFFAOYSA-N 1 2 374.868 4.050 50 0 FIAALO COc1cc(OC)c(C2=CC[N@@H+](Cc3cccnc3Cl)CC2)c(OC)c1 ZINC000058175200 205253824 /nfs/dbraw/zinc/25/38/24/205253824.db2.gz FFAVCYBCRBHMBH-UHFFFAOYSA-N 1 2 374.868 4.050 50 0 FIAALO O=C(NCc1ccccc1C(F)(F)F)c1cc2c(s1)C[N@@H+](C1CC1)C2 ZINC000065238824 205327450 /nfs/dbraw/zinc/32/74/50/205327450.db2.gz UYMSVNPPJUCBOF-UHFFFAOYSA-N 1 2 366.408 4.175 50 0 FIAALO O=C(NCc1ccccc1C(F)(F)F)c1cc2c(s1)C[N@H+](C1CC1)C2 ZINC000065238824 205327454 /nfs/dbraw/zinc/32/74/54/205327454.db2.gz UYMSVNPPJUCBOF-UHFFFAOYSA-N 1 2 366.408 4.175 50 0 FIAALO C[N@H+](Cc1nnc2sc(-c3ccc(Cl)cc3)nn12)Cc1ccccc1 ZINC000065362184 205338563 /nfs/dbraw/zinc/33/85/63/205338563.db2.gz JYDPCEFXPIULOU-UHFFFAOYSA-N 1 2 369.881 4.138 50 0 FIAALO C[N@@H+](Cc1nnc2sc(-c3ccc(Cl)cc3)nn12)Cc1ccccc1 ZINC000065362184 205338567 /nfs/dbraw/zinc/33/85/67/205338567.db2.gz JYDPCEFXPIULOU-UHFFFAOYSA-N 1 2 369.881 4.138 50 0 FIAALO Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCc1c[nH]c[nH+]1)OCO2 ZINC000065373893 205341732 /nfs/dbraw/zinc/34/17/32/205341732.db2.gz DZHRQNIXBMNZCU-UHFFFAOYSA-N 1 2 372.428 4.220 50 0 FIAALO Cc1cc2c(cc1-c1c(-c3ccccc3)ncn1CCc1c[nH+]c[nH]1)OCO2 ZINC000065373893 205341737 /nfs/dbraw/zinc/34/17/37/205341737.db2.gz DZHRQNIXBMNZCU-UHFFFAOYSA-N 1 2 372.428 4.220 50 0 FIAALO CCCCc1[nH]cc(-c2c(-c3ccccc3)ncn2CC2(CO)CCC2)[nH+]1 ZINC000065380250 205341998 /nfs/dbraw/zinc/34/19/98/205341998.db2.gz RXZYPQCVAJBOGX-UHFFFAOYSA-N 1 2 364.493 4.445 50 0 FIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccc(F)cc1)N1CCCC1 ZINC000067288238 205369489 /nfs/dbraw/zinc/36/94/89/205369489.db2.gz WBXFMSSBWJQLJO-UHFFFAOYSA-N 1 2 367.399 4.361 50 0 FIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccncc1)N1CCCCC1 ZINC000067288528 205369655 /nfs/dbraw/zinc/36/96/55/205369655.db2.gz VUCDRQDIFWLIOU-UHFFFAOYSA-N 1 2 364.424 4.007 50 0 FIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCCc1cccs1)N1CCCC1 ZINC000067288289 205369912 /nfs/dbraw/zinc/36/99/12/205369912.db2.gz SIUPDYKFGIUPIH-UHFFFAOYSA-N 1 2 369.465 4.326 50 0 FIAALO CCCn1cc[nH+]c1CN1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000067446931 205370957 /nfs/dbraw/zinc/37/09/57/205370957.db2.gz STYTUGCRBPKQQU-UHFFFAOYSA-N 1 2 369.490 4.122 50 0 FIAALO c1[nH+]c(-c2ccccc2)c([C@@H]2CCOC2)n1Cc1n[nH]c2c1CCCCC2 ZINC000067513526 205374194 /nfs/dbraw/zinc/37/41/94/205374194.db2.gz VJTYZLPOUMDRAB-QGZVFWFLSA-N 1 2 362.477 4.094 50 0 FIAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](Cc1ccco1)C2 ZINC000067805713 205392867 /nfs/dbraw/zinc/39/28/67/205392867.db2.gz HKMWYFVJXQUJSS-UHFFFAOYSA-N 1 2 356.809 4.095 50 0 FIAALO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](Cc1ccco1)C2 ZINC000067805713 205392871 /nfs/dbraw/zinc/39/28/71/205392871.db2.gz HKMWYFVJXQUJSS-UHFFFAOYSA-N 1 2 356.809 4.095 50 0 FIAALO CNC(=O)c1ccc(Cn2cc[nH+]c2-c2c(C)sc3ccccc32)o1 ZINC000077456926 205602420 /nfs/dbraw/zinc/60/24/20/205602420.db2.gz XCTOUSYNGDMLBI-UHFFFAOYSA-N 1 2 351.431 4.074 50 0 FIAALO CC(=O)c1cccc(-c2[nH+]ccn2-c2ccc(F)c(NC(=O)C(C)C)c2)c1 ZINC000077536565 205611040 /nfs/dbraw/zinc/61/10/40/205611040.db2.gz LJPFKZZDYSDXLJ-UHFFFAOYSA-N 1 2 365.408 4.476 50 0 FIAALO CC(C)c1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c(O)c(C(C)C)c1 ZINC000082114523 205644693 /nfs/dbraw/zinc/64/46/93/205644693.db2.gz VXLLGUMJEWEWAB-MRXNPFEDSA-N 1 2 369.509 4.392 50 0 FIAALO Cc1cc(C)c(NC(=O)Cn2nc(C(F)(F)F)c3c[nH+]ccc32)c(C)c1 ZINC000089568797 205664703 /nfs/dbraw/zinc/66/47/03/205664703.db2.gz DEOPONFNQFOJGZ-UHFFFAOYSA-N 1 2 362.355 4.014 50 0 FIAALO Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)c1cc3c(s1)CCCC3)CCCC2 ZINC000170618648 206275620 /nfs/dbraw/zinc/27/56/20/206275620.db2.gz HRPKATQTEVJDFG-QGZVFWFLSA-N 1 2 369.534 4.217 50 0 FIAALO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000020193316 206330234 /nfs/dbraw/zinc/33/02/34/206330234.db2.gz ZJNRPIARPYQOCU-ZIAGYGMSSA-N 1 2 358.507 4.226 50 0 FIAALO Cc1noc([C@H]2CCCC[N@@H+]2Cc2c[nH]nc2-c2cc(C)ccc2C)n1 ZINC000216416047 206359020 /nfs/dbraw/zinc/35/90/20/206359020.db2.gz FZNCFNWOJHCHHK-GOSISDBHSA-N 1 2 351.454 4.112 50 0 FIAALO Cc1noc([C@H]2CCCC[N@H+]2Cc2c[nH]nc2-c2cc(C)ccc2C)n1 ZINC000216416047 206359023 /nfs/dbraw/zinc/35/90/23/206359023.db2.gz FZNCFNWOJHCHHK-GOSISDBHSA-N 1 2 351.454 4.112 50 0 FIAALO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022766080 206393576 /nfs/dbraw/zinc/39/35/76/206393576.db2.gz JYSDDOSAOYSAJT-SFHVURJKSA-N 1 2 368.527 4.339 50 0 FIAALO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccs1 ZINC000022766080 206393578 /nfs/dbraw/zinc/39/35/78/206393578.db2.gz JYSDDOSAOYSAJT-SFHVURJKSA-N 1 2 368.527 4.339 50 0 FIAALO C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC000023055034 206397718 /nfs/dbraw/zinc/39/77/18/206397718.db2.gz QMUCHQGAHUOBNQ-PBFPGSCMSA-N 1 2 357.325 4.366 50 0 FIAALO C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccc(Cl)cc2Cl)[C@@H]1C ZINC000023055034 206397721 /nfs/dbraw/zinc/39/77/21/206397721.db2.gz QMUCHQGAHUOBNQ-PBFPGSCMSA-N 1 2 357.325 4.366 50 0 FIAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccccn3)cc12 ZINC000033269397 136117575 /nfs/dbraw/zinc/11/75/75/136117575.db2.gz XAGWIUUEFYJSMB-UHFFFAOYSA-N 1 2 360.461 4.427 50 0 FIAALO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1ccc(F)c(Cl)c1 ZINC000033131219 136117581 /nfs/dbraw/zinc/11/75/81/136117581.db2.gz UAFLHCVMLOWLSB-UHFFFAOYSA-N 1 2 362.836 4.186 50 0 FIAALO Cc1ccc(N2CC[NH+]([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1C ZINC000034682349 136117843 /nfs/dbraw/zinc/11/78/43/136117843.db2.gz GDZCXXBAOPNYGW-QGZVFWFLSA-N 1 2 371.912 4.106 50 0 FIAALO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052635639 136124617 /nfs/dbraw/zinc/12/46/17/136124617.db2.gz UOHPUIYEVWJYAS-OAHLLOKOSA-N 1 2 368.868 4.273 50 0 FIAALO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(Br)s3)CC2)c1 ZINC000055292066 136126366 /nfs/dbraw/zinc/12/63/66/136126366.db2.gz HMTQHYZGCXCZRL-UHFFFAOYSA-N 1 2 365.340 4.450 50 0 FIAALO Clc1ccc(N2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000055542921 136126838 /nfs/dbraw/zinc/12/68/38/136126838.db2.gz IXLJVPPLZKRCNT-UHFFFAOYSA-N 1 2 365.702 4.425 50 0 FIAALO O=C(NCc1ccc[nH+]c1N1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000058015650 136130333 /nfs/dbraw/zinc/13/03/33/136130333.db2.gz PIKNEXXONCBGCR-UHFFFAOYSA-N 1 2 362.836 4.186 50 0 FIAALO CCCCOc1c(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cccc1OC ZINC000055307014 520847484 /nfs/dbraw/zinc/84/74/84/520847484.db2.gz SOTFXRSQYGQXHW-UHFFFAOYSA-N 1 2 357.498 4.108 50 0 FIAALO CCCCOc1c(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cccc1OC ZINC000055307014 520847493 /nfs/dbraw/zinc/84/74/93/520847493.db2.gz SOTFXRSQYGQXHW-UHFFFAOYSA-N 1 2 357.498 4.108 50 0 FIAALO CCCCOc1ccccc1OCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020499999 520917235 /nfs/dbraw/zinc/91/72/35/520917235.db2.gz WXOJWQKTKINEQF-UHFFFAOYSA-N 1 2 368.521 4.062 50 0 FIAALO CCCCc1noc(C[N@H+](Cc2ccc(N3CCC[C@@H]3C)nc2)C(C)C)n1 ZINC000089954885 521331110 /nfs/dbraw/zinc/33/11/10/521331110.db2.gz YNVFYURCKCFHIO-KRWDZBQOSA-N 1 2 371.529 4.207 50 0 FIAALO CCCCc1noc(C[N@@H+](Cc2ccc(N3CCC[C@@H]3C)nc2)C(C)C)n1 ZINC000089954885 521331116 /nfs/dbraw/zinc/33/11/16/521331116.db2.gz YNVFYURCKCFHIO-KRWDZBQOSA-N 1 2 371.529 4.207 50 0 FIAALO Cc1ccc(C)c(C(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)c1 ZINC000091434397 524084704 /nfs/dbraw/zinc/08/47/04/524084704.db2.gz 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CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027367089 571012103 /nfs/dbraw/zinc/01/21/03/571012103.db2.gz BEOJULNUCRCASJ-KRWDZBQOSA-N 1 2 369.490 4.154 50 0 FIAALO CC(C)c1noc([C@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000027765962 571020571 /nfs/dbraw/zinc/02/05/71/571020571.db2.gz NXWKCTBTMMUHMT-ZDUSSCGKSA-N 1 2 368.403 4.095 50 0 FIAALO CC(C)c1noc([C@@H](C)[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000027765958 571020582 /nfs/dbraw/zinc/02/05/82/571020582.db2.gz NXWKCTBTMMUHMT-CYBMUJFWSA-N 1 2 368.403 4.095 50 0 FIAALO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1ccnc(Cl)c1Cl)CCCC2 ZINC000225423670 571034454 /nfs/dbraw/zinc/03/44/54/571034454.db2.gz JNOLKHJZDXTCDK-HNNXBMFYSA-N 1 2 365.308 4.338 50 0 FIAALO Cn1ccnc1[C@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000030642794 571048405 /nfs/dbraw/zinc/04/84/05/571048405.db2.gz GDEUDASMEPHZFN-OAHLLOKOSA-N 1 2 362.296 4.123 50 0 FIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)Nc1cccc(C(F)(F)F)c1 ZINC000040024071 571068662 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Cn1c2ccc(NC(=O)c3ccncc3)cc2[nH+]c1CCc1ccccc1 ZINC000033020516 571106230 /nfs/dbraw/zinc/10/62/30/571106230.db2.gz CXUMTADRQTVRAC-UHFFFAOYSA-N 1 2 356.429 4.006 50 0 FIAALO COc1ccccc1C[N@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C1CC1 ZINC000072312393 571106548 /nfs/dbraw/zinc/10/65/48/571106548.db2.gz XBNCDPYCMZIOKH-OAQYLSRUSA-N 1 2 364.489 4.227 50 0 FIAALO COc1ccccc1C[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C1CC1 ZINC000072312393 571106550 /nfs/dbraw/zinc/10/65/50/571106550.db2.gz XBNCDPYCMZIOKH-OAQYLSRUSA-N 1 2 364.489 4.227 50 0 FIAALO CCN(C)c1ccc(CNc2cccc(NC(=O)c3cccs3)c2)c[nH+]1 ZINC000242178860 571110864 /nfs/dbraw/zinc/11/08/64/571110864.db2.gz XBNAIGHBKSAZKZ-UHFFFAOYSA-N 1 2 366.490 4.464 50 0 FIAALO CCc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000026878387 571127831 /nfs/dbraw/zinc/12/78/31/571127831.db2.gz WBSXFVDXJPDURS-UUOWRZLLSA-N 1 2 373.500 4.200 50 0 FIAALO Cn1ncc2c1nc[nH+]c2N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000012889275 571142453 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C[C@H](Nc1ccc(-c2nc(CCCc3ccccc3)no2)cn1)c1[nH]cc[nH+]1 ZINC000072457911 571197575 /nfs/dbraw/zinc/19/75/75/571197575.db2.gz JBWXFLLYDHUAHD-HNNXBMFYSA-N 1 2 374.448 4.203 50 0 FIAALO CC(C)c1noc([C@@H]2CCCC[N@@H+]2Cc2cccc(-n3cccn3)c2)n1 ZINC000299780653 571197952 /nfs/dbraw/zinc/19/79/52/571197952.db2.gz KSANODLCSWABJT-SFHVURJKSA-N 1 2 351.454 4.106 50 0 FIAALO CC(C)c1noc([C@@H]2CCCC[N@H+]2Cc2cccc(-n3cccn3)c2)n1 ZINC000299780653 571197954 /nfs/dbraw/zinc/19/79/54/571197954.db2.gz KSANODLCSWABJT-SFHVURJKSA-N 1 2 351.454 4.106 50 0 FIAALO O=C(c1ccccc1OCc1ccccc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077300886 571206817 /nfs/dbraw/zinc/20/68/17/571206817.db2.gz ZRKBGKJPMXMCEW-SFHVURJKSA-N 1 2 361.445 4.009 50 0 FIAALO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1cnc(C2CCCCC2)nc1 ZINC000077553720 571215406 /nfs/dbraw/zinc/21/54/06/571215406.db2.gz UHVRSVYOMOZPKG-UHFFFAOYSA-N 1 2 363.465 4.206 50 0 FIAALO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1cnc(C2CCCCC2)nc1 ZINC000077553720 571215407 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Cc1oc2c(c1C(=O)N1CCC(C)CC1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065292004 571260571 /nfs/dbraw/zinc/26/05/71/571260571.db2.gz CLCHXDMDCHAQPW-UHFFFAOYSA-N 1 2 370.468 4.158 50 0 FIAALO Cc1oc2c(c1C(=O)N1CCC(C)CC1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065292004 571260572 /nfs/dbraw/zinc/26/05/72/571260572.db2.gz CLCHXDMDCHAQPW-UHFFFAOYSA-N 1 2 370.468 4.158 50 0 FIAALO O=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000065585363 571264995 /nfs/dbraw/zinc/26/49/95/571264995.db2.gz QDDLCHMFNIBFAA-ZDUSSCGKSA-N 1 2 360.487 4.068 50 0 FIAALO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc2cccc(F)c2o1 ZINC000170596479 571266539 /nfs/dbraw/zinc/26/65/39/571266539.db2.gz MWBNKGWLTVLPMF-CQSZACIVSA-N 1 2 370.399 4.058 50 0 FIAALO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)c1cc2cccc(F)c2o1 ZINC000170596479 571266541 /nfs/dbraw/zinc/26/65/41/571266541.db2.gz MWBNKGWLTVLPMF-CQSZACIVSA-N 1 2 370.399 4.058 50 0 FIAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1F ZINC000013320232 571270561 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ZINC000007741256 204305767 /nfs/dbraw/zinc/30/57/67/204305767.db2.gz SOCDFAPAEBLULB-GOSISDBHSA-N 1 2 365.433 4.091 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)c(OC)c1 ZINC000007741256 204305772 /nfs/dbraw/zinc/30/57/72/204305772.db2.gz SOCDFAPAEBLULB-GOSISDBHSA-N 1 2 365.433 4.091 50 0 FIAALO Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000007987327 204313135 /nfs/dbraw/zinc/31/31/35/204313135.db2.gz KDXLADDNBHKSPG-HNNXBMFYSA-N 1 2 367.474 4.083 50 0 FIAALO COc1ccc(C[N@H+](Cn2nc(-c3cccs3)[nH]c2=S)C2CC2)cc1 ZINC000008148376 204318599 /nfs/dbraw/zinc/31/85/99/204318599.db2.gz FOCXRHFTKXPNMU-UHFFFAOYSA-N 1 2 372.519 4.300 50 0 FIAALO COc1ccc(C[N@@H+](Cn2nc(-c3cccs3)[nH]c2=S)C2CC2)cc1 ZINC000008148376 204318606 /nfs/dbraw/zinc/31/86/06/204318606.db2.gz FOCXRHFTKXPNMU-UHFFFAOYSA-N 1 2 372.519 4.300 50 0 FIAALO COc1ccc(C[N@H+](Cn2nc(-c3ccccc3)[nH]c2=S)C2CC2)cc1 ZINC000008148412 204318974 /nfs/dbraw/zinc/31/89/74/204318974.db2.gz LMJAZARNZZYQRV-UHFFFAOYSA-N 1 2 366.490 4.238 50 0 FIAALO COc1ccc(C[N@@H+](Cn2nc(-c3ccccc3)[nH]c2=S)C2CC2)cc1 ZINC000008148412 204318976 /nfs/dbraw/zinc/31/89/76/204318976.db2.gz LMJAZARNZZYQRV-UHFFFAOYSA-N 1 2 366.490 4.238 50 0 FIAALO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000008533917 204334294 /nfs/dbraw/zinc/33/42/94/204334294.db2.gz VUPYPMFGTXCJSJ-LLVKDONJSA-N 1 2 357.306 4.192 50 0 FIAALO C[C@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000008533917 204334297 /nfs/dbraw/zinc/33/42/97/204334297.db2.gz VUPYPMFGTXCJSJ-LLVKDONJSA-N 1 2 357.306 4.192 50 0 FIAALO Cc1ccc(NC(=O)C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)cc1Cl ZINC000008599603 204336750 /nfs/dbraw/zinc/33/67/50/204336750.db2.gz PEXQKOOPGSUATR-UHFFFAOYSA-N 1 2 368.868 4.380 50 0 FIAALO COc1ccc(C[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C2CC2)cc1 ZINC000008944143 204349840 /nfs/dbraw/zinc/34/98/40/204349840.db2.gz OZEYGPKXYLHNQY-HNNXBMFYSA-N 1 2 368.477 4.079 50 0 FIAALO COc1ccc(C[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C2CC2)cc1 ZINC000008944143 204349843 /nfs/dbraw/zinc/34/98/43/204349843.db2.gz OZEYGPKXYLHNQY-HNNXBMFYSA-N 1 2 368.477 4.079 50 0 FIAALO C[C@H](NC(=O)Cc1c(F)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000009156591 204355491 /nfs/dbraw/zinc/35/54/91/204355491.db2.gz HVLKXFYBTZZNEN-ZDUSSCGKSA-N 1 2 357.816 4.085 50 0 FIAALO COc1ccc([C@@H](NC(=O)c2ccc3ccccc3c2)c2[nH+]ccn2C)cc1 ZINC000009219856 204357737 /nfs/dbraw/zinc/35/77/37/204357737.db2.gz VXAZKJAJFGQRJH-OAQYLSRUSA-N 1 2 371.440 4.101 50 0 FIAALO Cc1c2ccccc2oc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000009338293 204363866 /nfs/dbraw/zinc/36/38/66/204363866.db2.gz VGGNYGFQANPEPX-SFHVURJKSA-N 1 2 363.392 4.133 50 0 FIAALO CCn1c(Cc2ccccc2)nnc1SCc1cn2cc(C)ccc2[nH+]1 ZINC000009568739 204374314 /nfs/dbraw/zinc/37/43/14/204374314.db2.gz LRNOAJJCADBCBI-UHFFFAOYSA-N 1 2 363.490 4.137 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC000010656550 204399674 /nfs/dbraw/zinc/39/96/74/204399674.db2.gz YCUPEIHRDVGNJS-SFHVURJKSA-N 1 2 365.433 4.293 50 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C[C@@H](NC(=O)N1CCC[C@H]1C1CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000056793376 205232861 /nfs/dbraw/zinc/23/28/61/205232861.db2.gz JQPHAWQRBVEUBO-UZLBHIALSA-N 1 2 352.482 4.298 50 0 FIAALO Cc1ccc(NC(=S)N2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000058096339 205249436 /nfs/dbraw/zinc/24/94/36/205249436.db2.gz AZUXTJSDDWXYGV-UHFFFAOYSA-N 1 2 357.498 4.305 50 0 FIAALO Cc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000058096339 205249441 /nfs/dbraw/zinc/24/94/41/205249441.db2.gz AZUXTJSDDWXYGV-UHFFFAOYSA-N 1 2 357.498 4.305 50 0 FIAALO CCc1cccc(NC(=S)N2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000058096506 205249843 /nfs/dbraw/zinc/24/98/43/205249843.db2.gz XQGJZMSNTYZJNB-UHFFFAOYSA-N 1 2 357.498 4.250 50 0 FIAALO CCc1cccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000058096506 205249849 /nfs/dbraw/zinc/24/98/49/205249849.db2.gz XQGJZMSNTYZJNB-UHFFFAOYSA-N 1 2 357.498 4.250 50 0 FIAALO Cc1ccnc(NC(=O)C[N@@H+](C)Cc2sc3ccccc3c2Cl)c1 ZINC000058222632 205264059 /nfs/dbraw/zinc/26/40/59/205264059.db2.gz 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/nfs/dbraw/zinc/35/17/87/205351787.db2.gz JHOACOQNZOANCO-UHFFFAOYSA-N 1 2 371.488 4.385 50 0 FIAALO COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1CCn1cc[nH+]c1 ZINC000065459889 205352154 /nfs/dbraw/zinc/35/21/54/205352154.db2.gz DPHAUIVINRCFSS-UHFFFAOYSA-N 1 2 362.408 4.262 50 0 FIAALO Cc1cccn2cc(CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)[nH+]c12 ZINC000065475617 205353597 /nfs/dbraw/zinc/35/35/97/205353597.db2.gz YXLQYVHOXPRGNF-NRFANRHFSA-N 1 2 365.452 4.372 50 0 FIAALO CCC[C@H](NC(=O)c1cccc(NCc2cccs2)c1)c1[nH+]ccn1C ZINC000065375842 205341041 /nfs/dbraw/zinc/34/10/41/205341041.db2.gz QZUSDSRXVHJDPF-SFHVURJKSA-N 1 2 368.506 4.365 50 0 FIAALO CCn1c[nH+]cc1-c1c(-c2ccccc2)ncn1Cc1noc(C2CCC2)n1 ZINC000065376533 205341679 /nfs/dbraw/zinc/34/16/79/205341679.db2.gz PQSHSSUSFRDTMO-UHFFFAOYSA-N 1 2 374.448 4.132 50 0 FIAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@H](C)c2ccncn2)n1 ZINC000065397082 205347067 /nfs/dbraw/zinc/34/70/67/205347067.db2.gz AGBKJDPWAAEWDF-GOSISDBHSA-N 1 2 372.476 4.005 50 0 FIAALO Cc1c[nH+]c(C)nc1N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067472958 205373041 /nfs/dbraw/zinc/37/30/41/205373041.db2.gz JMQOOZAEBJSHCS-UHFFFAOYSA-N 1 2 356.429 4.464 50 0 FIAALO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(C)[nH+]cc1C)CCO2 ZINC000067821450 205393869 /nfs/dbraw/zinc/39/38/69/205393869.db2.gz AKWTYIRPKGBJNK-UHFFFAOYSA-N 1 2 361.445 4.173 50 0 FIAALO Cc1nnsc1C[N@@H+](C)Cc1c(-c2ccc(C)cc2)nc2sccn12 ZINC000067678354 205382380 /nfs/dbraw/zinc/38/23/80/205382380.db2.gz GLYWKZMFZLUINQ-UHFFFAOYSA-N 1 2 369.519 4.163 50 0 FIAALO Cc1nnsc1C[N@H+](C)Cc1c(-c2ccc(C)cc2)nc2sccn12 ZINC000067678354 205382384 /nfs/dbraw/zinc/38/23/84/205382384.db2.gz GLYWKZMFZLUINQ-UHFFFAOYSA-N 1 2 369.519 4.163 50 0 FIAALO Cc1cc(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2cccc3cccnc32)oc1C ZINC000067758742 205388672 /nfs/dbraw/zinc/38/86/72/205388672.db2.gz WUAWXBHQKPUJEL-JOCHJYFZSA-N 1 2 358.445 4.315 50 0 FIAALO Cc1cc(C[N@H+]2CCc3nc[nH]c3[C@H]2c2cccc3cccnc32)oc1C ZINC000067758742 205388675 /nfs/dbraw/zinc/38/86/75/205388675.db2.gz WUAWXBHQKPUJEL-JOCHJYFZSA-N 1 2 358.445 4.315 50 0 FIAALO CCn1nc(C)c(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccccc2Cl)c1C ZINC000067872852 205398776 /nfs/dbraw/zinc/39/87/76/205398776.db2.gz IRFAZPVAHBNUOY-HXUWFJFHSA-N 1 2 369.900 4.044 50 0 FIAALO CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccc(Cl)cc2)cs1 ZINC000095941325 205795918 /nfs/dbraw/zinc/79/59/18/205795918.db2.gz CJIYCOOQMRYILD-OLZOCXBDSA-N 1 2 365.930 4.275 50 0 FIAALO COc1cc(C(=O)Nc2ccc(N)[nH+]c2)cc(Cl)c1OCCC(C)C ZINC000151679627 206162799 /nfs/dbraw/zinc/16/27/99/206162799.db2.gz RNPKZSPKRBAIKA-UHFFFAOYSA-N 1 2 363.845 4.003 50 0 FIAALO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)cc1C ZINC000008118077 206213665 /nfs/dbraw/zinc/21/36/65/206213665.db2.gz MNIPSQFMILAUCE-GOSISDBHSA-N 1 2 353.853 4.210 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[NH+]1C[C@H](C)C[C@@H](C)C1)S2 ZINC000102879061 206231051 /nfs/dbraw/zinc/23/10/51/206231051.db2.gz YKSSBHDJIUVGOV-CKEIUWERSA-N 1 2 370.522 4.181 50 0 FIAALO CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1(C)C ZINC000195543923 206332017 /nfs/dbraw/zinc/33/20/17/206332017.db2.gz GEYYXHYCGBGAQJ-BPQIPLTHSA-N 1 2 355.457 4.003 50 0 FIAALO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2c[nH]nc2-c2cc(C)ccc2C)n1 ZINC000216416096 206358956 /nfs/dbraw/zinc/35/89/56/206358956.db2.gz FZNCFNWOJHCHHK-SFHVURJKSA-N 1 2 351.454 4.112 50 0 FIAALO Cc1noc([C@@H]2CCCC[N@H+]2Cc2c[nH]nc2-c2cc(C)ccc2C)n1 ZINC000216416096 206358959 /nfs/dbraw/zinc/35/89/59/206358959.db2.gz FZNCFNWOJHCHHK-SFHVURJKSA-N 1 2 351.454 4.112 50 0 FIAALO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000022790339 206392030 /nfs/dbraw/zinc/39/20/30/206392030.db2.gz KTDFHVJDEZTRIF-JXMROGBWSA-N 1 2 359.473 4.173 50 0 FIAALO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000052635638 136124592 /nfs/dbraw/zinc/12/45/92/136124592.db2.gz UOHPUIYEVWJYAS-HNNXBMFYSA-N 1 2 368.868 4.273 50 0 FIAALO CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055180289 136126196 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4.275 50 0 FIAALO O=C(c1ccc(Cl)c(F)c1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082120156 526672647 /nfs/dbraw/zinc/67/26/47/526672647.db2.gz QUZNQSRVMHDNRD-HNNXBMFYSA-N 1 2 361.848 4.105 50 0 FIAALO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)sc1Cl ZINC000084504891 526749920 /nfs/dbraw/zinc/74/99/20/526749920.db2.gz URPXYFACCTUNEW-UHFFFAOYSA-N 1 2 366.273 4.230 50 0 FIAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000082137519 527456705 /nfs/dbraw/zinc/45/67/05/527456705.db2.gz FWXDVWJVLYJWJN-GOSISDBHSA-N 1 2 361.445 4.232 50 0 FIAALO O=C(N[C@H](Cn1cc[nH+]c1)c1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000221328727 568398209 /nfs/dbraw/zinc/39/82/09/568398209.db2.gz CPSALRSRNILYHV-LJQANCHMSA-N 1 2 365.864 4.126 50 0 FIAALO O=C(NC1CCCCCC1)[C@@H]1CCCN(c2[nH]c3ccc(Cl)cc3[nH+]2)C1 ZINC000033071402 568456631 /nfs/dbraw/zinc/45/66/31/568456631.db2.gz JEMLJBBWRCUICF-CQSZACIVSA-N 1 2 374.916 4.272 50 0 FIAALO Cc1scc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)c1-c1ccccc1 ZINC000091895648 570441996 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FC(F)(F)Cn1nc(C2CC2)nc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000096132705 570476130 /nfs/dbraw/zinc/47/61/30/570476130.db2.gz RVRXZLQVQGLGGO-UHFFFAOYSA-N 1 2 364.415 4.097 50 0 FIAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000001068690 570478668 /nfs/dbraw/zinc/47/86/68/570478668.db2.gz VAVDUXIQBFEGGI-HXUWFJFHSA-N 1 2 360.461 4.195 50 0 FIAALO CCn1cc[nH+]c1C1CCN(C(=O)c2[nH]c3c(c2C)c(C)ccc3C)CC1 ZINC000097594795 570491086 /nfs/dbraw/zinc/49/10/86/570491086.db2.gz QAERYNGSGZHBQM-UHFFFAOYSA-N 1 2 364.493 4.329 50 0 FIAALO CCCCOc1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000033643260 570572353 /nfs/dbraw/zinc/57/23/53/570572353.db2.gz FNSQXEIRDLLXHB-JXAWBTAJSA-N 1 2 374.506 4.345 50 0 FIAALO Fc1ccccc1-c1noc2c1C[N@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000011813388 570595756 /nfs/dbraw/zinc/59/57/56/570595756.db2.gz QJALBEKWSOOTJB-UHFFFAOYSA-N 1 2 374.419 4.225 50 0 FIAALO Fc1ccccc1-c1noc2c1C[N@@H+](Cc1cnn(-c3ccccc3)c1)CC2 ZINC000011813388 570595760 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FIAALO CCCC[N@H+](Cc1nc(COc2ccccc2)no1)Cc1ccccc1 ZINC000012581619 570751468 /nfs/dbraw/zinc/75/14/68/570751468.db2.gz LLNHRHQDNZEZLA-UHFFFAOYSA-N 1 2 351.450 4.451 50 0 FIAALO CCCC[N@@H+](Cc1nc(COc2ccccc2)no1)Cc1ccccc1 ZINC000012581619 570751469 /nfs/dbraw/zinc/75/14/69/570751469.db2.gz LLNHRHQDNZEZLA-UHFFFAOYSA-N 1 2 351.450 4.451 50 0 FIAALO Cc1cc(C)cc(OCC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012794727 570762714 /nfs/dbraw/zinc/76/27/14/570762714.db2.gz JBZTUYANXJVYHT-AWEZNQCLSA-N 1 2 373.522 4.009 50 0 FIAALO Cc1cc(C)cc(OCC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1 ZINC000012794727 570762715 /nfs/dbraw/zinc/76/27/15/570762715.db2.gz JBZTUYANXJVYHT-AWEZNQCLSA-N 1 2 373.522 4.009 50 0 FIAALO CCn1c(=S)n(C[NH+]2CCC(C)CC2)nc1-c1ccc(Cl)cc1 ZINC000013071529 570773365 /nfs/dbraw/zinc/77/33/65/570773365.db2.gz RMLBKIBDIBLXFS-UHFFFAOYSA-N 1 2 350.919 4.444 50 0 FIAALO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)C1 ZINC000014141719 570808938 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/nfs/dbraw/zinc/47/81/00/570478100.db2.gz MTSXJGHTVVWMTA-UHFFFAOYSA-N 1 2 368.437 4.025 50 0 FIAALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001147874 570484347 /nfs/dbraw/zinc/48/43/47/570484347.db2.gz FPEKLFYYOJQLPW-OAHLLOKOSA-N 1 2 370.880 4.384 50 0 FIAALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001147874 570484351 /nfs/dbraw/zinc/48/43/51/570484351.db2.gz FPEKLFYYOJQLPW-OAHLLOKOSA-N 1 2 370.880 4.384 50 0 FIAALO Cc1cccn2c(CC(=O)NCC[C@@H](c3ccco3)c3ccccc3)c[nH+]c12 ZINC000097636713 570491645 /nfs/dbraw/zinc/49/16/45/570491645.db2.gz IDZHFIWHOVPFSY-HXUWFJFHSA-N 1 2 373.456 4.117 50 0 FIAALO CC(C)NC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2C2CCCCC2)C1 ZINC000034900814 570561988 /nfs/dbraw/zinc/56/19/88/570561988.db2.gz PIOKTLZDEOANFM-QGZVFWFLSA-N 1 2 368.525 4.283 50 0 FIAALO CC(=O)C(=CNc1ccc2c(c1)[nH+]cn2-c1ccc(Cl)cc1)C(C)=O ZINC000005283372 570646195 /nfs/dbraw/zinc/64/61/95/570646195.db2.gz JFRPWXQQKGQNNE-UHFFFAOYSA-N 1 2 353.809 4.153 50 0 FIAALO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000034192667 570655402 /nfs/dbraw/zinc/65/54/02/570655402.db2.gz PBBBBXLDGFGUHL-YVMONPNESA-N 1 2 374.406 4.177 50 0 FIAALO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)c1 ZINC000012455479 570747070 /nfs/dbraw/zinc/74/70/70/570747070.db2.gz ANGZSGSGDFDOCN-QGZVFWFLSA-N 1 2 357.475 4.054 50 0 FIAALO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)c1 ZINC000012455479 570747073 /nfs/dbraw/zinc/74/70/73/570747073.db2.gz ANGZSGSGDFDOCN-QGZVFWFLSA-N 1 2 357.475 4.054 50 0 FIAALO C[C@@H]1c2cccn2CC[N@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000012801458 570763939 /nfs/dbraw/zinc/76/39/39/570763939.db2.gz CMAQDSPRHPMGFX-LJQANCHMSA-N 1 2 359.473 4.098 50 0 FIAALO C[C@@H]1c2cccn2CC[N@@H+]1CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000012801458 570763940 /nfs/dbraw/zinc/76/39/40/570763940.db2.gz CMAQDSPRHPMGFX-LJQANCHMSA-N 1 2 359.473 4.098 50 0 FIAALO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000013594949 570780390 /nfs/dbraw/zinc/78/03/90/570780390.db2.gz YXLYWJOFESZDEI-HNNXBMFYSA-N 1 2 373.547 4.015 50 0 FIAALO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000013594949 570780392 /nfs/dbraw/zinc/78/03/92/570780392.db2.gz YXLYWJOFESZDEI-HNNXBMFYSA-N 1 2 373.547 4.015 50 0 FIAALO CCCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000013757738 570789471 /nfs/dbraw/zinc/78/94/71/570789471.db2.gz JMFVCWXGHOYPRZ-UHFFFAOYSA-N 1 2 369.465 4.474 50 0 FIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3ccco3)n(C)c2=S)cc1 ZINC000014159007 570809369 /nfs/dbraw/zinc/80/93/69/570809369.db2.gz GXPKPIVEKKRDIU-INIZCTEOSA-N 1 2 370.478 4.014 50 0 FIAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3ccco3)n(C)c2=S)cc1 ZINC000014159007 570809372 /nfs/dbraw/zinc/80/93/72/570809372.db2.gz GXPKPIVEKKRDIU-INIZCTEOSA-N 1 2 370.478 4.014 50 0 FIAALO C[N@@H+](Cc1csc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000015297090 570836992 /nfs/dbraw/zinc/83/69/92/570836992.db2.gz IHRSTZXUFWQOOA-AWEZNQCLSA-N 1 2 358.488 4.143 50 0 FIAALO C[N@H+](Cc1csc(-c2cccs2)n1)C[C@H]1COc2ccccc2O1 ZINC000015297090 570836999 /nfs/dbraw/zinc/83/69/99/570836999.db2.gz IHRSTZXUFWQOOA-AWEZNQCLSA-N 1 2 358.488 4.143 50 0 FIAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc(Cl)c(C)c1 ZINC000015860746 570846469 /nfs/dbraw/zinc/84/64/69/570846469.db2.gz BQVPPOJIUQVDTB-OAHLLOKOSA-N 1 2 358.869 4.391 50 0 FIAALO O=c1c2ccccc2c(-c2cccs2)nn1C[N@H+](C1CC1)C1CCCC1 ZINC000032923220 570862582 /nfs/dbraw/zinc/86/25/82/570862582.db2.gz FBAVDPZHKCLVOA-UHFFFAOYSA-N 1 2 365.502 4.490 50 0 FIAALO O=c1c2ccccc2c(-c2cccs2)nn1C[N@@H+](C1CC1)C1CCCC1 ZINC000032923220 570862586 /nfs/dbraw/zinc/86/25/86/570862586.db2.gz FBAVDPZHKCLVOA-UHFFFAOYSA-N 1 2 365.502 4.490 50 0 FIAALO c1csc(C[NH+](Cc2cccs2)Cc2nc(-c3ccccn3)no2)c1 ZINC000032928714 570868174 /nfs/dbraw/zinc/86/81/74/570868174.db2.gz DDKFZRNPLXXENW-UHFFFAOYSA-N 1 2 368.487 4.457 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc(-c2ccccc2)cc1F ZINC000032930068 570870714 /nfs/dbraw/zinc/87/07/14/570870714.db2.gz VHVRFDLPSATZDX-UHFFFAOYSA-N 1 2 358.376 4.326 50 0 FIAALO CC(C)COc1ccc(C(=O)N[C@H](Cc2[nH]cc[nH+]2)c2ccccc2)cc1 ZINC000010643993 570879323 /nfs/dbraw/zinc/87/93/23/570879323.db2.gz QPMYJAKCDVTWHT-HXUWFJFHSA-N 1 2 363.461 4.158 50 0 FIAALO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020437220 570915908 /nfs/dbraw/zinc/91/59/08/570915908.db2.gz AMRPWYJWLFSICP-UHFFFAOYSA-N 1 2 369.896 4.178 50 0 FIAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000021661441 570932474 /nfs/dbraw/zinc/93/24/74/570932474.db2.gz MQEAYVBDZCPNEP-UHFFFAOYSA-N 1 2 365.824 4.090 50 0 FIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(F)cc1Cl ZINC000022289517 570942826 /nfs/dbraw/zinc/94/28/26/570942826.db2.gz FLNKQEPPTSSOIH-UHFFFAOYSA-N 1 2 353.850 4.174 50 0 FIAALO CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3-c2ccccc2)c1 ZINC000022689011 570948225 /nfs/dbraw/zinc/94/82/25/570948225.db2.gz YJARTKCMLSPWMY-UHFFFAOYSA-N 1 2 358.401 4.117 50 0 FIAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000022705901 570948817 /nfs/dbraw/zinc/94/88/17/570948817.db2.gz NVGBVQUXHOEYJZ-LLVKDONJSA-N 1 2 350.249 4.184 50 0 FIAALO Fc1ccccc1N1CC[NH+](Cn2c3ccccc3sc2=S)CC1 ZINC000023718921 570966925 /nfs/dbraw/zinc/96/69/25/570966925.db2.gz LABQQQZNXZMIPP-UHFFFAOYSA-N 1 2 359.495 4.351 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1sc2ccccc2c1Cl ZINC000025009821 570988705 /nfs/dbraw/zinc/98/87/05/570988705.db2.gz KDVNERNZEDGTCD-UHFFFAOYSA-N 1 2 354.822 4.388 50 0 FIAALO O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025176699 570992064 /nfs/dbraw/zinc/99/20/64/570992064.db2.gz NZHAYAGKVDYWDZ-UHFFFAOYSA-N 1 2 372.428 4.158 50 0 FIAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2oc3ccc(F)cc3c2C)c1C ZINC000060216122 570998074 /nfs/dbraw/zinc/99/80/74/570998074.db2.gz IVCJZSBYHJWURV-UHFFFAOYSA-N 1 2 356.397 4.173 50 0 FIAALO COc1ccc(Br)cc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000035511233 571076801 /nfs/dbraw/zinc/07/68/01/571076801.db2.gz XKHSPNPGEXUIKF-AWEZNQCLSA-N 1 2 351.244 4.091 50 0 FIAALO COc1ccc(Br)cc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000035511233 571076803 /nfs/dbraw/zinc/07/68/03/571076803.db2.gz XKHSPNPGEXUIKF-AWEZNQCLSA-N 1 2 351.244 4.091 50 0 FIAALO Cc1cc2[nH]c(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4)cc3)cc2c(C)c1 ZINC000028623532 571033221 /nfs/dbraw/zinc/03/32/21/571033221.db2.gz KGEZMCVZUACSHX-MRXNPFEDSA-N 1 2 358.445 4.461 50 0 FIAALO Cc1cccn2cc(COc3ccccc3C(=O)N3CCC(C)CC3)[nH+]c12 ZINC000029871768 571044485 /nfs/dbraw/zinc/04/44/85/571044485.db2.gz VCSPQBJLTWDXET-UHFFFAOYSA-N 1 2 363.461 4.094 50 0 FIAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000030223724 571046282 /nfs/dbraw/zinc/04/62/82/571046282.db2.gz AWNZNMITICOVKU-AWEZNQCLSA-N 1 2 365.458 4.240 50 0 FIAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000030223724 571046284 /nfs/dbraw/zinc/04/62/84/571046284.db2.gz AWNZNMITICOVKU-AWEZNQCLSA-N 1 2 365.458 4.240 50 0 FIAALO O=C(CCSCc1cn2ccccc2[nH+]1)NC12CC3CC(CC(C3)C1)C2 ZINC000030715586 571049177 /nfs/dbraw/zinc/04/91/77/571049177.db2.gz SHCHYNJQPJYAQC-UHFFFAOYSA-N 1 2 369.534 4.043 50 0 FIAALO Cc1noc(C)c1[C@@H](C)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000084023030 571066745 /nfs/dbraw/zinc/06/67/45/571066745.db2.gz LBGULTCZUBGGLN-ABKXIKBNSA-N 1 2 370.280 4.078 50 0 FIAALO C[N@H+](Cc1ccc(Br)s1)Cc1nnc(-c2ccccc2)o1 ZINC000069450750 571098143 /nfs/dbraw/zinc/09/81/43/571098143.db2.gz LKKXBJWGVDZPSV-UHFFFAOYSA-N 1 2 364.268 4.193 50 0 FIAALO C[N@@H+](Cc1ccc(Br)s1)Cc1nnc(-c2ccccc2)o1 ZINC000069450750 571098145 /nfs/dbraw/zinc/09/81/45/571098145.db2.gz LKKXBJWGVDZPSV-UHFFFAOYSA-N 1 2 364.268 4.193 50 0 FIAALO Cc1cc(C)n(-c2nnc(Nc3ccc([NH+](C)C)cc3)c3ccccc32)n1 ZINC000015777644 571120600 /nfs/dbraw/zinc/12/06/00/571120600.db2.gz NPQLBXKJDAGGNP-UHFFFAOYSA-N 1 2 358.449 4.242 50 0 FIAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000055447591 571120974 /nfs/dbraw/zinc/12/09/74/571120974.db2.gz OMHXZFCSBAQQSP-QFIPXVFZSA-N 1 2 369.472 4.192 50 0 FIAALO Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000055447591 571120977 /nfs/dbraw/zinc/12/09/77/571120977.db2.gz OMHXZFCSBAQQSP-QFIPXVFZSA-N 1 2 369.472 4.192 50 0 FIAALO c1coc(CN(Cc2c[nH+]cn2Cc2ccccc2)Cc2ccccn2)c1 ZINC000252499374 571133476 /nfs/dbraw/zinc/13/34/76/571133476.db2.gz RZSCLKCVFNWUGX-UHFFFAOYSA-N 1 2 358.445 4.122 50 0 FIAALO CCSc1[nH+]ccc2c1ccn2CC(=O)N[C@H](C)c1ccc(C)cc1 ZINC000033298670 571147006 /nfs/dbraw/zinc/14/70/06/571147006.db2.gz BRUVTFMMVXUZOU-OAHLLOKOSA-N 1 2 353.491 4.334 50 0 FIAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1F ZINC000012941287 571152949 /nfs/dbraw/zinc/15/29/49/571152949.db2.gz KYNGVXQGEVKTTA-OAQYLSRUSA-N 1 2 366.461 4.473 50 0 FIAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1F ZINC000012941287 571152950 /nfs/dbraw/zinc/15/29/50/571152950.db2.gz KYNGVXQGEVKTTA-OAQYLSRUSA-N 1 2 366.461 4.473 50 0 FIAALO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)[nH+]c2c1 ZINC000033072072 571153761 /nfs/dbraw/zinc/15/37/61/571153761.db2.gz GRGOJOSUEDPVQC-GOSISDBHSA-N 1 2 366.509 4.094 50 0 FIAALO Cc1ccc2[nH+]c(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)[nH]c2c1 ZINC000033072072 571153762 /nfs/dbraw/zinc/15/37/62/571153762.db2.gz GRGOJOSUEDPVQC-GOSISDBHSA-N 1 2 366.509 4.094 50 0 FIAALO CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575611212 571164685 /nfs/dbraw/zinc/16/46/85/571164685.db2.gz CPURFJLHGZRVLT-IBGZPJMESA-N 1 2 370.518 4.195 50 0 FIAALO Cc1sc2ccccc2c1-c1[nH+]ccn1C[C@H]1CC(=O)N(C2CC2)C1 ZINC000071762357 571165741 /nfs/dbraw/zinc/16/57/41/571165741.db2.gz DSZAWUONAHVIPV-CQSZACIVSA-N 1 2 351.475 4.084 50 0 FIAALO c1coc(-c2ncc(C[N@@H+]3CCC[C@@H]3c3nc(-c4ccccc4)no3)cn2)c1 ZINC000072139142 571171759 /nfs/dbraw/zinc/17/17/59/571171759.db2.gz OPEQSXOTBUSZMY-QGZVFWFLSA-N 1 2 373.416 4.124 50 0 FIAALO c1coc(-c2ncc(C[N@H+]3CCC[C@@H]3c3nc(-c4ccccc4)no3)cn2)c1 ZINC000072139142 571171760 /nfs/dbraw/zinc/17/17/60/571171760.db2.gz OPEQSXOTBUSZMY-QGZVFWFLSA-N 1 2 373.416 4.124 50 0 FIAALO CSc1ccc(C[N@H+](C)Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000012516814 571173751 /nfs/dbraw/zinc/17/37/51/571173751.db2.gz IVVSDYVTBHSYJW-UHFFFAOYSA-N 1 2 356.520 4.215 50 0 FIAALO CSc1ccc(C[N@@H+](C)Cn2ncn(-c3ccccc3)c2=S)cc1 ZINC000012516814 571173754 /nfs/dbraw/zinc/17/37/54/571173754.db2.gz IVVSDYVTBHSYJW-UHFFFAOYSA-N 1 2 356.520 4.215 50 0 FIAALO OCCCc1[nH+]c2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000003648952 571186798 /nfs/dbraw/zinc/18/67/98/571186798.db2.gz IOEGQBHAJPKTKI-UHFFFAOYSA-N 1 2 358.869 4.474 50 0 FIAALO c1ccc(-c2nnc(N3CCC(c4[nH]c5ccccc5[nH+]4)CC3)s2)cc1 ZINC000026704841 571193955 /nfs/dbraw/zinc/19/39/55/571193955.db2.gz SZXIMBZOFDUAPN-UHFFFAOYSA-N 1 2 361.474 4.465 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)S2 ZINC000023156917 571218801 /nfs/dbraw/zinc/21/88/01/571218801.db2.gz CJCQSWIOOXJXCI-CQSZACIVSA-N 1 2 362.886 4.034 50 0 FIAALO O=C(c1ccc(-c2nccs2)cc1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000426471282 571226987 /nfs/dbraw/zinc/22/69/87/571226987.db2.gz AEFHBLWIBBEYCG-SFHVURJKSA-N 1 2 366.490 4.092 50 0 FIAALO O=C(c1cc(N2CCCCC2)ccc1Cl)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426545402 571231288 /nfs/dbraw/zinc/23/12/88/571231288.db2.gz WGSYBPLWCZWUJY-OAHLLOKOSA-N 1 2 372.900 4.073 50 0 FIAALO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCCC[C@H]2CCc2ccccn2)c1 ZINC000426597258 571232855 /nfs/dbraw/zinc/23/28/55/571232855.db2.gz PWEZNSGPIXHGAG-NRFANRHFSA-N 1 2 374.488 4.110 50 0 FIAALO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000036077793 571240302 /nfs/dbraw/zinc/24/03/02/571240302.db2.gz GVQQVDBLJCJQCH-UHFFFAOYSA-N 1 2 361.489 4.098 50 0 FIAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000091562933 571240472 /nfs/dbraw/zinc/24/04/72/571240472.db2.gz ISBQVZBXPIEGRQ-UHFFFAOYSA-N 1 2 367.827 4.415 50 0 FIAALO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cscn2)C3)ccc1Cl ZINC000091663252 571242122 /nfs/dbraw/zinc/24/21/22/571242122.db2.gz DRJOSBTXLQVVGD-GOEBONIOSA-N 1 2 365.905 4.032 50 0 FIAALO Fc1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cscn2)C3)ccc1Cl ZINC000091663252 571242124 /nfs/dbraw/zinc/24/21/24/571242124.db2.gz DRJOSBTXLQVVGD-GOEBONIOSA-N 1 2 365.905 4.032 50 0 FIAALO O=C(Nc1ccccc1Cl)N1CCC(CCOc2cc[nH+]cc2)CC1 ZINC000065181120 571255931 /nfs/dbraw/zinc/25/59/31/571255931.db2.gz AIMYISPJQPVMMN-UHFFFAOYSA-N 1 2 359.857 4.448 50 0 FIAALO Cn1c[nH+]cc1CCOC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000170609335 571267380 /nfs/dbraw/zinc/26/73/80/571267380.db2.gz TWAYDFNZFDBFHX-UHFFFAOYSA-N 1 2 373.412 4.142 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000007716649 571286330 /nfs/dbraw/zinc/28/63/30/571286330.db2.gz PQDUKLXHYDSKFP-GOSISDBHSA-N 1 2 374.868 4.133 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000007716649 571286332 /nfs/dbraw/zinc/28/63/32/571286332.db2.gz PQDUKLXHYDSKFP-GOSISDBHSA-N 1 2 374.868 4.133 50 0 FIAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccnc2)CC1 ZINC000095454753 571329994 /nfs/dbraw/zinc/32/99/94/571329994.db2.gz ATABXASPALOBED-OAHLLOKOSA-N 1 2 355.869 4.160 50 0 FIAALO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccnc2)CC1 ZINC000095454753 571329995 /nfs/dbraw/zinc/32/99/95/571329995.db2.gz ATABXASPALOBED-OAHLLOKOSA-N 1 2 355.869 4.160 50 0 FIAALO C[S@](=O)C[C@H]([NH2+]Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000095462652 571330262 /nfs/dbraw/zinc/33/02/62/571330262.db2.gz CJZPEUYADWFWQQ-AVRWGWEMSA-N 1 2 374.506 4.159 50 0 FIAALO CC(C)c1cccc(O[C@@H](C)C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000095464770 571330420 /nfs/dbraw/zinc/33/04/20/571330420.db2.gz LRCLOVPOGDVABC-INIZCTEOSA-N 1 2 363.461 4.284 50 0 FIAALO Cc1ccncc1C1=CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000095986378 571333451 /nfs/dbraw/zinc/33/34/51/571333451.db2.gz SFPVDBVFXOLZQD-UHFFFAOYSA-N 1 2 352.869 4.219 50 0 FIAALO Cc1ccncc1C1=CC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000095986378 571333452 /nfs/dbraw/zinc/33/34/52/571333452.db2.gz SFPVDBVFXOLZQD-UHFFFAOYSA-N 1 2 352.869 4.219 50 0 FIAALO C/C=C\c1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(OC)c1 ZINC000096404289 571335843 /nfs/dbraw/zinc/33/58/43/571335843.db2.gz PTPZQZRUIMPWCF-OOFWQKGWSA-N 1 2 366.461 4.135 50 0 FIAALO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000028635222 571340272 /nfs/dbraw/zinc/34/02/72/571340272.db2.gz WYHCWEDPEGUXGG-MRXNPFEDSA-N 1 2 369.248 4.176 50 0 FIAALO COC(=O)[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000028635222 571340273 /nfs/dbraw/zinc/34/02/73/571340273.db2.gz WYHCWEDPEGUXGG-MRXNPFEDSA-N 1 2 369.248 4.176 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1Oc1ccccc1 ZINC000032354646 571357232 /nfs/dbraw/zinc/35/72/32/571357232.db2.gz SIBIQNJLKUYVFK-UHFFFAOYSA-N 1 2 356.385 4.312 50 0 FIAALO CCCn1c2ccccc2n(CC(=O)Nc2c(CC)cccc2CC)c1=[NH2+] ZINC000025286149 1093551296 /nfs/dbraw/zinc/55/12/96/1093551296.db2.gz ZOVGJUYREZQXNQ-UHFFFAOYSA-N 1 2 364.493 4.096 50 0 FIAALO Cc1cccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)c1C ZINC000016484580 1103113312 /nfs/dbraw/zinc/11/33/12/1103113312.db2.gz CURWMKHUASCQIY-KRWDZBQOSA-N 1 2 371.912 4.106 50 0 FIAALO Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H](C)c1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000012550359 220006647 /nfs/dbraw/zinc/00/66/47/220006647.db2.gz TXNDKEWOBFZYFT-YWZLYKJASA-N 1 2 363.486 4.075 50 0 FIAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1cccc(C(=O)OC)c1 ZINC000000939530 203964112 /nfs/dbraw/zinc/96/41/12/203964112.db2.gz RWFQORRDQWLXJH-UHFFFAOYSA-N 1 2 364.401 4.250 50 0 FIAALO O=C(Nc1ccc(Cl)cc1)n1ccc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000001402342 204004523 /nfs/dbraw/zinc/00/45/23/204004523.db2.gz PILUHDGHTRZWRX-UHFFFAOYSA-N 1 2 363.808 4.469 50 0 FIAALO Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCCn3cc[nH+]c3)c2c1 ZINC000002078825 204025752 /nfs/dbraw/zinc/02/57/52/204025752.db2.gz VBEPWYNQIKIZKL-UHFFFAOYSA-N 1 2 370.456 4.227 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)C1CCCCC1 ZINC000003265760 204085422 /nfs/dbraw/zinc/08/54/22/204085422.db2.gz QIDXCHAQOHAWPX-UHFFFAOYSA-N 1 2 355.507 4.220 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)C1CCCCC1 ZINC000003265760 204085424 /nfs/dbraw/zinc/08/54/24/204085424.db2.gz QIDXCHAQOHAWPX-UHFFFAOYSA-N 1 2 355.507 4.220 50 0 FIAALO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000003912266 204115015 /nfs/dbraw/zinc/11/50/15/204115015.db2.gz NZFZBOFXVSTFHF-UHFFFAOYSA-N 1 2 353.788 4.220 50 0 FIAALO Cc1cc(I)cn2cc(-c3ccc(F)cc3)[nH+]c12 ZINC000004003119 204116686 /nfs/dbraw/zinc/11/66/86/204116686.db2.gz GAQAMLVCSSFPBQ-UHFFFAOYSA-N 1 2 352.150 4.053 50 0 FIAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004182047 204125553 /nfs/dbraw/zinc/12/55/53/204125553.db2.gz PCZRVDNZXNLXQF-UHFFFAOYSA-N 1 2 358.441 4.476 50 0 FIAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004182047 204125555 /nfs/dbraw/zinc/12/55/55/204125555.db2.gz PCZRVDNZXNLXQF-UHFFFAOYSA-N 1 2 358.441 4.476 50 0 FIAALO CCOC(=O)C[N@H+](Cc1cccn1Cc1cccc(C)c1)[C@@H](C)C(C)C ZINC000004527569 204143778 /nfs/dbraw/zinc/14/37/78/204143778.db2.gz YXKWZZNCLKJNNM-IBGZPJMESA-N 1 2 356.510 4.254 50 0 FIAALO CCOC(=O)C[N@@H+](Cc1cccn1Cc1cccc(C)c1)[C@@H](C)C(C)C ZINC000004527569 204143781 /nfs/dbraw/zinc/14/37/81/204143781.db2.gz YXKWZZNCLKJNNM-IBGZPJMESA-N 1 2 356.510 4.254 50 0 FIAALO CCCCc1nc2sc3c(nc(SC)[nH+]c3NN)c2c2c1CCC2 ZINC000005427110 204208753 /nfs/dbraw/zinc/20/87/53/204208753.db2.gz ORUSNHBIOGOGLG-UHFFFAOYSA-N 1 2 359.524 4.078 50 0 FIAALO Cc1[nH]c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2[nH+]1 ZINC000004977970 204182147 /nfs/dbraw/zinc/18/21/47/204182147.db2.gz FVSIFAFAAPNKCW-UHFFFAOYSA-N 1 2 360.442 4.151 50 0 FIAALO Cn1c(SCc2cn3cc(Cl)ccc3[nH+]2)nnc1-c1ccc(F)cc1 ZINC000006105854 204236838 /nfs/dbraw/zinc/23/68/38/204236838.db2.gz IVWSKDRTAUKNID-UHFFFAOYSA-N 1 2 373.844 4.215 50 0 FIAALO CC[N@H+](CC(=O)NC(C)(C)C)Cc1cc2ccc(C)c(C)c2nc1Cl ZINC000007459830 204297570 /nfs/dbraw/zinc/29/75/70/204297570.db2.gz ZOOKQEJLPLJCPZ-UHFFFAOYSA-N 1 2 361.917 4.242 50 0 FIAALO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1cc2ccc(C)c(C)c2nc1Cl ZINC000007459830 204297575 /nfs/dbraw/zinc/29/75/75/204297575.db2.gz ZOOKQEJLPLJCPZ-UHFFFAOYSA-N 1 2 361.917 4.242 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000007718634 204304956 /nfs/dbraw/zinc/30/49/56/204304956.db2.gz CXYJHWVPEQKKKJ-SFHVURJKSA-N 1 2 365.433 4.091 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)c1 ZINC000007718634 204304960 /nfs/dbraw/zinc/30/49/60/204304960.db2.gz CXYJHWVPEQKKKJ-SFHVURJKSA-N 1 2 365.433 4.091 50 0 FIAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000007987036 204313178 /nfs/dbraw/zinc/31/31/78/204313178.db2.gz QLUWEBVXTQWBPJ-UHFFFAOYSA-N 1 2 370.880 4.385 50 0 FIAALO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000007987036 204313181 /nfs/dbraw/zinc/31/31/81/204313181.db2.gz QLUWEBVXTQWBPJ-UHFFFAOYSA-N 1 2 370.880 4.385 50 0 FIAALO C[C@H]1CCCCN1C(=O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000007989853 204314581 /nfs/dbraw/zinc/31/45/81/204314581.db2.gz DOYRQQKXEWTAMU-KRWDZBQOSA-N 1 2 362.477 4.049 50 0 FIAALO CN(Cc1c(F)cccc1Cl)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000008425349 204330765 /nfs/dbraw/zinc/33/07/65/204330765.db2.gz PGTMXMNUJHSUPC-JXMROGBWSA-N 1 2 369.827 4.337 50 0 FIAALO COc1ccc(-c2nc(SCc3cn4cc(Cl)ccc4[nH+]3)n[nH]2)cc1 ZINC000009126362 204355427 /nfs/dbraw/zinc/35/54/27/204355427.db2.gz HNZPCKCCIYJCSB-UHFFFAOYSA-N 1 2 371.853 4.074 50 0 FIAALO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)Cc1ccc(Cl)s1 ZINC000008734436 204341908 /nfs/dbraw/zinc/34/19/08/204341908.db2.gz XWGMOERXMQLNLZ-LLVKDONJSA-N 1 2 357.306 4.192 50 0 FIAALO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000008734436 204341913 /nfs/dbraw/zinc/34/19/13/204341913.db2.gz XWGMOERXMQLNLZ-LLVKDONJSA-N 1 2 357.306 4.192 50 0 FIAALO O=C(OCc1cc(-c2cccs2)on1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000036662599 204381996 /nfs/dbraw/zinc/38/19/96/204381996.db2.gz WHWOUWLIXFGHDE-UHFFFAOYSA-N 1 2 365.414 4.005 50 0 FIAALO COc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000010227653 204393385 /nfs/dbraw/zinc/39/33/85/204393385.db2.gz COMCFGREGQVWDR-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO COc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000010227653 204393389 /nfs/dbraw/zinc/39/33/89/204393389.db2.gz COMCFGREGQVWDR-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO Cc1cc(C)cc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000012506880 204469687 /nfs/dbraw/zinc/46/96/87/204469687.db2.gz XPVMRPHONLQVRQ-SFHVURJKSA-N 1 2 353.853 4.210 50 0 FIAALO O=C(c1ccco1)N1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000024061343 204814406 /nfs/dbraw/zinc/81/44/06/204814406.db2.gz ANRYBPWEQOESSF-UHFFFAOYSA-N 1 2 362.429 4.030 50 0 FIAALO Fc1cccc(Cl)c1C[NH+]1CC(c2nc(Cc3ccccc3)no2)C1 ZINC000075156420 205034723 /nfs/dbraw/zinc/03/47/23/205034723.db2.gz LASKJHSYGNNAQW-UHFFFAOYSA-N 1 2 357.816 4.052 50 0 FIAALO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccccc3)no2)cc1OC ZINC000040067043 205053024 /nfs/dbraw/zinc/05/30/24/205053024.db2.gz NFKPRAQEEUXTGZ-QGZVFWFLSA-N 1 2 365.433 4.091 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccccc3)no2)cc1OC ZINC000040067043 205053029 /nfs/dbraw/zinc/05/30/29/205053029.db2.gz NFKPRAQEEUXTGZ-QGZVFWFLSA-N 1 2 365.433 4.091 50 0 FIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)Nc1ccc(F)cc1F ZINC000045875361 205126716 /nfs/dbraw/zinc/12/67/16/205126716.db2.gz IYFMCMRXJMLPQD-UHFFFAOYSA-N 1 2 360.408 4.062 50 0 FIAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000043210865 205102634 /nfs/dbraw/zinc/10/26/34/205102634.db2.gz PXIVFWQKYOMVSM-UHFFFAOYSA-N 1 2 350.245 4.057 50 0 FIAALO Cc1noc([C@@H](C)[NH+]2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)n1 ZINC000046087215 205133248 /nfs/dbraw/zinc/13/32/48/205133248.db2.gz AWOJAYXHGJBIRD-OAHLLOKOSA-N 1 2 355.482 4.232 50 0 FIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1c(F)cccc1Cl ZINC000048939232 205167223 /nfs/dbraw/zinc/16/72/23/205167223.db2.gz PTLIDCWZSOLCHE-UHFFFAOYSA-N 1 2 361.848 4.185 50 0 FIAALO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc2nsnc2c1 ZINC000055042443 205204540 /nfs/dbraw/zinc/20/45/40/205204540.db2.gz BNNXZWJQYZDZOU-UHFFFAOYSA-N 1 2 356.476 4.348 50 0 FIAALO 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/nfs/dbraw/zinc/27/36/83/206273683.db2.gz WBLSYDWNGUHZNB-GUYCJALGSA-N 1 2 361.283 4.436 50 0 FIAALO COc1cc(Br)ccc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000170606867 206273686 /nfs/dbraw/zinc/27/36/86/206273686.db2.gz WBLSYDWNGUHZNB-GUYCJALGSA-N 1 2 361.283 4.436 50 0 FIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000012579481 206294485 /nfs/dbraw/zinc/29/44/85/206294485.db2.gz XEBIAXVXTHZQSC-MRXNPFEDSA-N 1 2 360.244 4.246 50 0 FIAALO C[C@@H](C(=O)Nc1ccccc1F)[N@H+](C)Cc1ccc(Br)s1 ZINC000016341682 206319625 /nfs/dbraw/zinc/31/96/25/206319625.db2.gz WJPFDCMBTBCBQM-JTQLQIEISA-N 1 2 371.275 4.109 50 0 FIAALO C[C@@H](C(=O)Nc1ccccc1F)[N@@H+](C)Cc1ccc(Br)s1 ZINC000016341682 206319630 /nfs/dbraw/zinc/31/96/30/206319630.db2.gz WJPFDCMBTBCBQM-JTQLQIEISA-N 1 2 371.275 4.109 50 0 FIAALO CN1CC[NH+](Cc2c(=O)c3cc(Cl)ccc3[nH]c2-c2ccccc2)CC1 ZINC000019793407 206326345 /nfs/dbraw/zinc/32/63/45/206326345.db2.gz IWZQECWZDHUCQS-UHFFFAOYSA-N 1 2 367.880 4.008 50 0 FIAALO CC(C)c1ccc(C2N3CC4(C(C)C)C[NH+]2CC(C(C)C)(C3)C4=O)cc1 ZINC000019323254 206326883 /nfs/dbraw/zinc/32/68/83/206326883.db2.gz RIFWLTHJDXCWMC-UHFFFAOYSA-N 1 2 354.538 4.307 50 0 biogenic FIAALO CC[C@@H](C)Sc1ncc(C[N@H+](C)Cc2cc(-c3ccncc3)no2)cn1 ZINC000216079979 206354780 /nfs/dbraw/zinc/35/47/80/206354780.db2.gz QHJKERQLNZRBPF-CQSZACIVSA-N 1 2 369.494 4.049 50 0 FIAALO CC[C@@H](C)Sc1ncc(C[N@@H+](C)Cc2cc(-c3ccncc3)no2)cn1 ZINC000216079979 206354784 /nfs/dbraw/zinc/35/47/84/206354784.db2.gz QHJKERQLNZRBPF-CQSZACIVSA-N 1 2 369.494 4.049 50 0 FIAALO COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1c1nccs1)OCCCO2 ZINC000216283485 206357472 /nfs/dbraw/zinc/35/74/72/206357472.db2.gz DJQSAWHSAZHLAE-HNNXBMFYSA-N 1 2 360.479 4.040 50 0 FIAALO COc1cc2c(cc1C[N@H+]1CCCC[C@H]1c1nccs1)OCCCO2 ZINC000216283485 206357476 /nfs/dbraw/zinc/35/74/76/206357476.db2.gz DJQSAWHSAZHLAE-HNNXBMFYSA-N 1 2 360.479 4.040 50 0 FIAALO COc1cc2c(cc1C[N@H+](C)[C@H](C)c1nc(C)sc1C)OCCCO2 ZINC000216528969 206359130 /nfs/dbraw/zinc/35/91/30/206359130.db2.gz ZVXRGQXJFXPYKD-GFCCVEGCSA-N 1 2 362.495 4.123 50 0 FIAALO COc1cc2c(cc1C[N@@H+](C)[C@H](C)c1nc(C)sc1C)OCCCO2 ZINC000216528969 206359135 /nfs/dbraw/zinc/35/91/35/206359135.db2.gz ZVXRGQXJFXPYKD-GFCCVEGCSA-N 1 2 362.495 4.123 50 0 FIAALO Cc1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)[nH+]c2cc(F)ccc12 ZINC000077505917 132188186 /nfs/dbraw/zinc/18/81/86/132188186.db2.gz QWUBQKHLHVIYRY-JOCHJYFZSA-N 1 2 367.468 4.054 50 0 FIAALO COc1ccccc1N1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000057331557 136128611 /nfs/dbraw/zinc/12/86/11/136128611.db2.gz JKBCSSMLGKZYKY-UHFFFAOYSA-N 1 2 371.531 4.202 50 0 FIAALO Cc1cccc(N2CC[NH+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)c1C ZINC000057449622 136129386 /nfs/dbraw/zinc/12/93/86/136129386.db2.gz BVONNVUUNDHCGG-INIZCTEOSA-N 1 2 368.506 4.298 50 0 FIAALO Cc1cccc([C@H]2CCCN(C(=O)NCc3cn4cccc(C)c4[nH+]3)C2)c1 ZINC000426515786 263616719 /nfs/dbraw/zinc/61/67/19/263616719.db2.gz UTOKVYGBKLQBIW-IBGZPJMESA-N 1 2 362.477 4.040 50 0 FIAALO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)[nH+]1 ZINC000089568354 525999655 /nfs/dbraw/zinc/99/96/55/525999655.db2.gz JOATZKBMLYPFAS-CABCVRRESA-N 1 2 353.372 4.406 50 0 FIAALO CN(C(=O)N1CCC(c2[nH+]ccn2CC2CCC2)CC1)c1ccccc1 ZINC000091768793 570438105 /nfs/dbraw/zinc/43/81/05/570438105.db2.gz WWRPXAYBZQFEJC-UHFFFAOYSA-N 1 2 352.482 4.119 50 0 FIAALO COc1ccc(C(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1Cl ZINC000091951657 570443478 /nfs/dbraw/zinc/44/34/78/570443478.db2.gz DETASCONWAOJPE-UHFFFAOYSA-N 1 2 361.873 4.146 50 0 FIAALO O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000092081501 570447564 /nfs/dbraw/zinc/44/75/64/570447564.db2.gz OAABBISCUPVESH-LJQANCHMSA-N 1 2 363.461 4.152 50 0 FIAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccnc3ccccc32)C1 ZINC000095498506 570462159 /nfs/dbraw/zinc/46/21/59/570462159.db2.gz KOQHLHFHKUVAJK-QGZVFWFLSA-N 1 2 362.477 4.251 50 0 FIAALO Cc1nc(-c2cccc(NC(=O)N[C@@H](c3[nH+]ccn3C)C3CC3)c2)cs1 ZINC000095504205 570463931 /nfs/dbraw/zinc/46/39/31/570463931.db2.gz NXMYWKHWCBIWTO-QGZVFWFLSA-N 1 2 367.478 4.125 50 0 FIAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2ccc([C@@H]3CCCO3)s2)CC1 ZINC000095519190 570467031 /nfs/dbraw/zinc/46/70/31/570467031.db2.gz DWSATFMBFCWTFA-INIZCTEOSA-N 1 2 373.522 4.397 50 0 FIAALO Cc1[nH+]c2cc(NC(=O)Nc3cccc(Br)c3)ccc2n1C ZINC000001143847 570484035 /nfs/dbraw/zinc/48/40/35/570484035.db2.gz UGYURFHQMHNAFW-UHFFFAOYSA-N 1 2 359.227 4.288 50 0 FIAALO O=C(c1ccccc1-c1[nH]cc[nH+]1)N(Cc1nccs1)Cc1ccccc1 ZINC000097522155 570489817 /nfs/dbraw/zinc/48/98/17/570489817.db2.gz GZUSPXRXKSBJSV-UHFFFAOYSA-N 1 2 374.469 4.376 50 0 FIAALO Cn1cc[nH+]c1-c1cccc(C(=O)N(Cc2ccccn2)C2CCCCC2)c1 ZINC000426504017 570613345 /nfs/dbraw/zinc/61/33/45/570613345.db2.gz PEAIQDGHXJTJFN-UHFFFAOYSA-N 1 2 374.488 4.457 50 0 FIAALO O=C(N1CCC(Cn2cc[nH+]c2)CC1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000062017536 570648393 /nfs/dbraw/zinc/64/83/93/570648393.db2.gz VJWLOWBVROOSLQ-UHFFFAOYSA-N 1 2 371.912 4.287 50 0 FIAALO C/C(=C\C(=O)Nc1ccc(Cl)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000005516741 570666458 /nfs/dbraw/zinc/66/64/58/570666458.db2.gz VARYDMUNFODDJZ-FOCLMDBBSA-N 1 2 355.869 4.005 50 0 FIAALO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c2ccccc12 ZINC000009135264 570691845 /nfs/dbraw/zinc/69/18/45/570691845.db2.gz KHLMGFTVDUVNCU-UHFFFAOYSA-N 1 2 365.864 4.159 50 0 FIAALO COc1ccc(-c2nc(CN3CCCC[C@H]3c3[nH+]ccn3C)c(C)o2)cc1 ZINC000011935965 570711800 /nfs/dbraw/zinc/71/18/00/570711800.db2.gz YXFSOQLGFVUAMC-IBGZPJMESA-N 1 2 366.465 4.119 50 0 FIAALO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](CCO)Cc1cccs1 ZINC000012443707 570745965 /nfs/dbraw/zinc/74/59/65/570745965.db2.gz NXEOLBWVSPMBSE-UHFFFAOYSA-N 1 2 362.882 4.359 50 0 FIAALO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](CCO)Cc1cccs1 ZINC000012443707 570745967 /nfs/dbraw/zinc/74/59/67/570745967.db2.gz NXEOLBWVSPMBSE-UHFFFAOYSA-N 1 2 362.882 4.359 50 0 FIAALO CCOCc1c2ccccc2oc1C(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000012629825 570754585 /nfs/dbraw/zinc/75/45/85/570754585.db2.gz SFLMDTXKJNGHTQ-UHFFFAOYSA-N 1 2 364.401 4.282 50 0 FIAALO O=c1[nH]c(C[N@@H+]2CCc3sccc3[C@H]2C2CC2)nc2ccc(Cl)cc12 ZINC000012795187 570762638 /nfs/dbraw/zinc/76/26/38/570762638.db2.gz QJWCLNMOHXXDGT-GOSISDBHSA-N 1 2 371.893 4.147 50 0 FIAALO O=c1[nH]c(C[N@H+]2CCc3sccc3[C@H]2C2CC2)nc2ccc(Cl)cc12 ZINC000012795187 570762642 /nfs/dbraw/zinc/76/26/42/570762642.db2.gz QJWCLNMOHXXDGT-GOSISDBHSA-N 1 2 371.893 4.147 50 0 FIAALO C[C@H]1C[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C[C@H](C)O1 ZINC000012807534 570764292 /nfs/dbraw/zinc/76/42/92/570764292.db2.gz HHDDNLWOSWAREP-RYUDHWBXSA-N 1 2 356.413 4.438 50 0 FIAALO O=C(C[N@@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000012998102 570771713 /nfs/dbraw/zinc/77/17/13/570771713.db2.gz SUBRNKMTPGTDBM-MRXNPFEDSA-N 1 2 364.898 4.021 50 0 FIAALO O=C(C[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000012998102 570771715 /nfs/dbraw/zinc/77/17/15/570771715.db2.gz SUBRNKMTPGTDBM-MRXNPFEDSA-N 1 2 364.898 4.021 50 0 FIAALO Cn1c(=S)n(C[N@H+](C)Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000013073658 570773450 /nfs/dbraw/zinc/77/34/50/570773450.db2.gz JCGKFEKYUXLVQJ-UHFFFAOYSA-N 1 2 358.898 4.361 50 0 FIAALO Cn1c(=S)n(C[N@@H+](C)Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000013073658 570773453 /nfs/dbraw/zinc/77/34/53/570773453.db2.gz JCGKFEKYUXLVQJ-UHFFFAOYSA-N 1 2 358.898 4.361 50 0 FIAALO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000032760741 570793265 /nfs/dbraw/zinc/79/32/65/570793265.db2.gz HADIACHCRKVQPA-NSHDSACASA-N 1 2 370.346 4.025 50 0 FIAALO C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000032760741 570793266 /nfs/dbraw/zinc/79/32/66/570793266.db2.gz HADIACHCRKVQPA-NSHDSACASA-N 1 2 370.346 4.025 50 0 FIAALO O=C(NCc1cccnc1-n1cc[nH+]c1)c1sc2ccccc2c1Cl ZINC000032778128 570795638 /nfs/dbraw/zinc/79/56/38/570795638.db2.gz NZALPKURMTYTSG-UHFFFAOYSA-N 1 2 368.849 4.065 50 0 FIAALO COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000032777603 570795798 /nfs/dbraw/zinc/79/57/98/570795798.db2.gz SYTLVTBJJGIJSL-SFHVURJKSA-N 1 2 374.868 4.133 50 0 FIAALO COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000032777603 570795801 /nfs/dbraw/zinc/79/58/01/570795801.db2.gz SYTLVTBJJGIJSL-SFHVURJKSA-N 1 2 374.868 4.133 50 0 FIAALO O[C@@](/C=C/c1ccc(Cl)cc1Cl)(Cn1cc[nH+]c1)c1cccnc1 ZINC000018191394 570814357 /nfs/dbraw/zinc/81/43/57/570814357.db2.gz YHAHQXULDGXJHH-QWNKOJSDSA-N 1 2 360.244 4.186 50 0 FIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc(=O)[nH]c2ccccc21 ZINC000014910467 570826430 /nfs/dbraw/zinc/82/64/30/570826430.db2.gz IQZOUBSHZZEYON-UHFFFAOYSA-N 1 2 372.428 4.269 50 0 FIAALO Cn1ncc2c1nc[nH+]c2N[C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000032888252 570835876 /nfs/dbraw/zinc/83/58/76/570835876.db2.gz AFUIZIIPGRXCHT-GOSISDBHSA-N 1 2 361.474 4.115 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000015312943 570836833 /nfs/dbraw/zinc/83/68/33/570836833.db2.gz HGUHTLRLHUBNAC-INIZCTEOSA-N 1 2 371.462 4.152 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2nc(-c3ccsc3)no2)c1 ZINC000015312943 570836835 /nfs/dbraw/zinc/83/68/35/570836835.db2.gz HGUHTLRLHUBNAC-INIZCTEOSA-N 1 2 371.462 4.152 50 0 FIAALO Cc1cccc2sc(C(=O)NCCc3cn4ccccc4[nH+]3)c(Cl)c21 ZINC000032906440 570844109 /nfs/dbraw/zinc/84/41/09/570844109.db2.gz LPWIYYMGJFCOBY-UHFFFAOYSA-N 1 2 369.877 4.483 50 0 FIAALO C[N@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2cccs2)no1 ZINC000019221904 570882586 /nfs/dbraw/zinc/88/25/86/570882586.db2.gz NNTCZNNHPFEFFX-UHFFFAOYSA-N 1 2 373.869 4.002 50 0 FIAALO C[N@@H+](CCc1nc2ccc(Cl)cc2[nH]1)Cc1nc(-c2cccs2)no1 ZINC000019221904 570882589 /nfs/dbraw/zinc/88/25/89/570882589.db2.gz NNTCZNNHPFEFFX-UHFFFAOYSA-N 1 2 373.869 4.002 50 0 FIAALO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cc3ccccc3s2)N1c1ccccc1F ZINC000014881617 570892474 /nfs/dbraw/zinc/89/24/74/570892474.db2.gz XZGLAJJHCNKLPX-KSSFIOAISA-N 1 2 352.434 4.030 50 0 FIAALO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cc3ccccc3s2)N1c1ccccc1F ZINC000014881617 570892477 /nfs/dbraw/zinc/89/24/77/570892477.db2.gz XZGLAJJHCNKLPX-KSSFIOAISA-N 1 2 352.434 4.030 50 0 FIAALO CCCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000019706955 570899008 /nfs/dbraw/zinc/89/90/08/570899008.db2.gz KPZLSFBZHRSCPA-QGZVFWFLSA-N 1 2 364.276 4.373 50 0 FIAALO Fc1ccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019781742 570902914 /nfs/dbraw/zinc/90/29/14/570902914.db2.gz YRXKJTBPWANNOM-UHFFFAOYSA-N 1 2 352.375 4.162 50 0 FIAALO Fc1ccc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019781742 570902915 /nfs/dbraw/zinc/90/29/15/570902915.db2.gz YRXKJTBPWANNOM-UHFFFAOYSA-N 1 2 352.375 4.162 50 0 FIAALO O=c1[nH]c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2cc(Cl)ccc21 ZINC000021822730 570935237 /nfs/dbraw/zinc/93/52/37/570935237.db2.gz HDGPBBHDYVNHJG-UHFFFAOYSA-N 1 2 367.880 4.444 50 0 FIAALO O=c1oc2ccccc2n1C[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855643 570968448 /nfs/dbraw/zinc/96/84/48/570968448.db2.gz BHRLVRJDFWDGAM-SFHVURJKSA-N 1 2 368.483 4.323 50 0 FIAALO O=c1oc2ccccc2n1C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000023855643 570968450 /nfs/dbraw/zinc/96/84/50/570968450.db2.gz BHRLVRJDFWDGAM-SFHVURJKSA-N 1 2 368.483 4.323 50 0 FIAALO CCOc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2s1 ZINC000027541571 571013474 /nfs/dbraw/zinc/01/34/74/571013474.db2.gz VHVFZYKNGDQSAX-CQSZACIVSA-N 1 2 369.490 4.154 50 0 FIAALO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000027541571 571013479 /nfs/dbraw/zinc/01/34/79/571013479.db2.gz VHVFZYKNGDQSAX-CQSZACIVSA-N 1 2 369.490 4.154 50 0 FIAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029535544 571041388 /nfs/dbraw/zinc/04/13/88/571041388.db2.gz YIDJDLLIAAIPRT-FQEVSTJZSA-N 1 2 367.880 4.408 50 0 FIAALO Cc1nn(-c2ccccc2)c(Cl)c1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000029535544 571041393 /nfs/dbraw/zinc/04/13/93/571041393.db2.gz YIDJDLLIAAIPRT-FQEVSTJZSA-N 1 2 367.880 4.408 50 0 FIAALO CCOc1ccccc1OCCCC(=O)Nc1ccccc1-c1[nH]cc[nH+]1 ZINC000072306641 571062977 /nfs/dbraw/zinc/06/29/77/571062977.db2.gz 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O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1cc2ccccc2s1 ZINC000245093451 571092388 /nfs/dbraw/zinc/09/23/88/571092388.db2.gz RODCTTCGUPNORB-HNNXBMFYSA-N 1 2 372.515 4.014 50 0 FIAALO CCNc1cc(C)[nH+]c(Nc2ccc(NC(=O)CC3CCCC3)cc2)n1 ZINC000009573278 571113443 /nfs/dbraw/zinc/11/34/43/571113443.db2.gz AXISTHSBCYFXMT-UHFFFAOYSA-N 1 2 353.470 4.479 50 0 FIAALO c1c(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)onc1-c1cccnc1 ZINC000244795407 571117354 /nfs/dbraw/zinc/11/73/54/571117354.db2.gz RFWXZMDOARIBCQ-FQEVSTJZSA-N 1 2 359.433 4.340 50 0 FIAALO c1c(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)onc1-c1cccnc1 ZINC000244795407 571117355 /nfs/dbraw/zinc/11/73/55/571117355.db2.gz RFWXZMDOARIBCQ-FQEVSTJZSA-N 1 2 359.433 4.340 50 0 FIAALO COc1ccccc1[C@H]([NH2+]Cc1ccc(SC)cc1)c1nccn1C ZINC000042204863 571120485 /nfs/dbraw/zinc/12/04/85/571120485.db2.gz FIVWDNVFZAPMAH-IBGZPJMESA-N 1 2 353.491 4.030 50 0 FIAALO Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000055447590 571120933 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C[C@@H](c1cccs1)N(C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067895147 571151432 /nfs/dbraw/zinc/15/14/32/571151432.db2.gz BLYCPYHBTDCMQF-HNNXBMFYSA-N 1 2 369.490 4.201 50 0 FIAALO c1nc2c([nH]1)[C@@H](Cc1ccccc1)[N@H+](Cc1ccnc3ccccc13)CC2 ZINC000067974180 571152843 /nfs/dbraw/zinc/15/28/43/571152843.db2.gz UYELOZRHZGIHSX-JOCHJYFZSA-N 1 2 354.457 4.300 50 0 FIAALO c1nc2c([nH]1)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccnc3ccccc13)CC2 ZINC000067974180 571152845 /nfs/dbraw/zinc/15/28/45/571152845.db2.gz UYELOZRHZGIHSX-JOCHJYFZSA-N 1 2 354.457 4.300 50 0 FIAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1F ZINC000012941280 571152942 /nfs/dbraw/zinc/15/29/42/571152942.db2.gz KYNGVXQGEVKTTA-NRFANRHFSA-N 1 2 366.461 4.473 50 0 FIAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1F ZINC000012941280 571152943 /nfs/dbraw/zinc/15/29/43/571152943.db2.gz KYNGVXQGEVKTTA-NRFANRHFSA-N 1 2 366.461 4.473 50 0 FIAALO Cc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)sc1C ZINC000075110943 571156184 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O=C(N1CC[NH+](C/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000020508628 570919126 /nfs/dbraw/zinc/91/91/26/570919126.db2.gz GJWRCQFVCWROFR-QPJJXVBHSA-N 1 2 364.533 4.060 50 0 FIAALO O=C(Nc1cccc(Cl)c1Cl)N1CC[NH+](Cc2cccs2)CC1 ZINC000020544204 570919797 /nfs/dbraw/zinc/91/97/97/570919797.db2.gz SDEIXLKYYIJQRT-UHFFFAOYSA-N 1 2 370.305 4.405 50 0 FIAALO C[N@@H+]1CCc2nc(NC(=O)c3cc4c(s3)CCCCCC4)sc2C1 ZINC000024152140 570972055 /nfs/dbraw/zinc/97/20/55/570972055.db2.gz ZEFFVIZMBAFKHX-UHFFFAOYSA-N 1 2 361.536 4.104 50 0 FIAALO C[N@H+]1CCc2nc(NC(=O)c3cc4c(s3)CCCCCC4)sc2C1 ZINC000024152140 570972058 /nfs/dbraw/zinc/97/20/58/570972058.db2.gz ZEFFVIZMBAFKHX-UHFFFAOYSA-N 1 2 361.536 4.104 50 0 FIAALO Cc1c2cc(C)c(C)cc2oc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024148104 570972349 /nfs/dbraw/zinc/97/23/49/570972349.db2.gz VEBPWLUACARXNV-UHFFFAOYSA-N 1 2 362.473 4.316 50 0 FIAALO O=C(CCc1nc2ccccc2s1)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000025183015 570992337 /nfs/dbraw/zinc/99/23/37/570992337.db2.gz 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ZINC000035616519 571078105 /nfs/dbraw/zinc/07/81/05/571078105.db2.gz KHDBNCXUQBJHGE-UHFFFAOYSA-N 1 2 361.401 4.468 50 0 FIAALO O=C(C[NH+]1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1Cl ZINC000071792452 571082856 /nfs/dbraw/zinc/08/28/56/571082856.db2.gz OGELYNDTAQTXCS-UHFFFAOYSA-N 1 2 360.860 4.372 50 0 FIAALO O=C(Cn1c2ccccc2[nH+]c1C1CC1)NCCCc1c[nH]c2ccccc12 ZINC000084590683 571090942 /nfs/dbraw/zinc/09/09/42/571090942.db2.gz MONNLGWQWKCUJV-UHFFFAOYSA-N 1 2 372.472 4.144 50 0 FIAALO C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2F)c2ccccc2S1 ZINC000069194103 571091500 /nfs/dbraw/zinc/09/15/00/571091500.db2.gz IEUFKIYSTOLGNU-OAHLLOKOSA-N 1 2 358.482 4.175 50 0 FIAALO C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2F)c2ccccc2S1 ZINC000069194103 571091503 /nfs/dbraw/zinc/09/15/03/571091503.db2.gz IEUFKIYSTOLGNU-OAHLLOKOSA-N 1 2 358.482 4.175 50 0 FIAALO Cc1cccn2cc(-c3ccc(NC(=O)Cc4ccccc4O)cc3)[nH+]c12 ZINC000069770789 571102872 /nfs/dbraw/zinc/10/28/72/571102872.db2.gz WTFZGORSQMVSOZ-UHFFFAOYSA-N 1 2 357.413 4.197 50 0 FIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C2CCC2)cc1 ZINC000241316864 571110019 /nfs/dbraw/zinc/11/00/19/571110019.db2.gz LVPDRHFDSDKCGU-UHFFFAOYSA-N 1 2 350.462 4.039 50 0 FIAALO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 ZINC000012849179 571128460 /nfs/dbraw/zinc/12/84/60/571128460.db2.gz AYQJPZAERJSSBD-LBPRGKRZSA-N 1 2 372.469 4.248 50 0 FIAALO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4cc(F)ccc4[nH]3)n2)C1 ZINC000012849179 571128463 /nfs/dbraw/zinc/12/84/63/571128463.db2.gz AYQJPZAERJSSBD-LBPRGKRZSA-N 1 2 372.469 4.248 50 0 FIAALO CC(C)(C)c1cc(C[N@@H+]2CCc3onc(-c4cccc(F)c4)c3C2)[nH]n1 ZINC000067910304 571151868 /nfs/dbraw/zinc/15/18/68/571151868.db2.gz JHQDCIWSHPMSGC-UHFFFAOYSA-N 1 2 354.429 4.060 50 0 FIAALO CC(C)(C)c1cc(C[N@H+]2CCc3onc(-c4cccc(F)c4)c3C2)[nH]n1 ZINC000067910304 571151869 /nfs/dbraw/zinc/15/18/69/571151869.db2.gz JHQDCIWSHPMSGC-UHFFFAOYSA-N 1 2 354.429 4.060 50 0 FIAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=O)COc3ccccc3)cc12 ZINC000033084629 571154468 /nfs/dbraw/zinc/15/44/68/571154468.db2.gz JMXDNXNWCYPKTL-UHFFFAOYSA-N 1 2 361.445 4.161 50 0 FIAALO COc1ccc(C[C@@H](O[C@H](C)n2cc[nH+]c2)c2ccc(OC)cc2)cc1 ZINC000075273132 571159217 /nfs/dbraw/zinc/15/92/17/571159217.db2.gz SKEBOVVDDCBGMZ-IIBYNOLFSA-N 1 2 352.434 4.419 50 0 FIAALO Clc1ccc([C@H]2CN(Cc3c[nH+]c(CC4CCCC4)[nH]3)CCO2)cc1 ZINC000071750629 571164820 /nfs/dbraw/zinc/16/48/20/571164820.db2.gz MTTFZORIWPCOAU-LJQANCHMSA-N 1 2 359.901 4.369 50 0 FIAALO Clc1ccc([C@H]2CN(Cc3c[nH]c(CC4CCCC4)[nH+]3)CCO2)cc1 ZINC000071750629 571164822 /nfs/dbraw/zinc/16/48/22/571164822.db2.gz MTTFZORIWPCOAU-LJQANCHMSA-N 1 2 359.901 4.369 50 0 FIAALO CSc1ccc(-c2[nH+]ccn2CC2CCN(C(=O)C(C)C)CC2)cc1 ZINC000071750892 571164988 /nfs/dbraw/zinc/16/49/88/571164988.db2.gz OIISESCUDBCBBR-UHFFFAOYSA-N 1 2 357.523 4.167 50 0 FIAALO CN(C(=O)Nc1ccccc1F)[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000012550111 571179128 /nfs/dbraw/zinc/17/91/28/571179128.db2.gz NUBKEIDTCZOZCQ-QGZVFWFLSA-N 1 2 372.831 4.466 50 0 FIAALO O=C(Nc1cccc(-c2c[nH+]c3n2CCC3)c1)c1ccc(Br)o1 ZINC000090607217 571179849 /nfs/dbraw/zinc/17/98/49/571179849.db2.gz PDDIZVAABVDGBR-UHFFFAOYSA-N 1 2 372.222 4.104 50 0 FIAALO CSc1ccc(-c2nc(C[N@@H+]3CCCn4nc(C)cc4C3)c(C)o2)cc1 ZINC000072447860 571197098 /nfs/dbraw/zinc/19/70/98/571197098.db2.gz NSLQOWAEIARCNA-UHFFFAOYSA-N 1 2 368.506 4.283 50 0 FIAALO CSc1ccc(-c2nc(C[N@H+]3CCCn4nc(C)cc4C3)c(C)o2)cc1 ZINC000072447860 571197099 /nfs/dbraw/zinc/19/70/99/571197099.db2.gz NSLQOWAEIARCNA-UHFFFAOYSA-N 1 2 368.506 4.283 50 0 FIAALO C[NH+](C)[C@@H](Cn1cc[nH+]c1-c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC000072477107 571199329 /nfs/dbraw/zinc/19/93/29/571199329.db2.gz AOFLLZXCFFRMCA-SFHVURJKSA-N 1 2 369.852 4.205 50 0 FIAALO C[NH+](C)[C@H](Cn1cc[nH+]c1-c1ccccc1C(=O)[O-])c1ccccc1Cl ZINC000072477108 571199363 /nfs/dbraw/zinc/19/93/63/571199363.db2.gz AOFLLZXCFFRMCA-GOSISDBHSA-N 1 2 369.852 4.205 50 0 FIAALO O=C(NCc1ccccc1)c1ccc(CCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000033264717 571200354 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50 0 FIAALO Cc1ccc2nc([C@@H]3CCC[N@H+]3Cc3cnc(-c4ccccn4)nc3)[nH]c2c1 ZINC000077427232 571211410 /nfs/dbraw/zinc/21/14/10/571211410.db2.gz TULZVUUUOKCXOQ-FQEVSTJZSA-N 1 2 370.460 4.060 50 0 FIAALO CC[N@H+](CC(=O)NC(C)C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000098069123 571235782 /nfs/dbraw/zinc/23/57/82/571235782.db2.gz HUBUMCBCWJFQKX-UHFFFAOYSA-N 1 2 359.539 4.280 50 0 FIAALO CC[N@@H+](CC(=O)NC(C)C)Cc1cnc(-c2ccc(C(C)C)cc2)s1 ZINC000098069123 571235784 /nfs/dbraw/zinc/23/57/84/571235784.db2.gz HUBUMCBCWJFQKX-UHFFFAOYSA-N 1 2 359.539 4.280 50 0 FIAALO Cc1c2ccc(C)cc2oc1C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000091535712 571240422 /nfs/dbraw/zinc/24/04/22/571240422.db2.gz LAHNXMIQVHIRAL-UHFFFAOYSA-N 1 2 350.418 4.128 50 0 FIAALO CCCNC(=O)N(CC)Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000006689761 571240871 /nfs/dbraw/zinc/24/08/71/571240871.db2.gz DACPYYYTXYRFCV-UHFFFAOYSA-N 1 2 369.296 4.180 50 0 FIAALO CCCNC(=O)N(Cc1[nH+]ccn1Cc1c(C)cc(C)cc1C)CC(C)C ZINC000006723795 571243703 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COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)Cc3ccsc3)ccc2c1 ZINC000007806239 571289546 /nfs/dbraw/zinc/28/95/46/571289546.db2.gz CWPZAAIHYBHUSD-UHFFFAOYSA-N 1 2 368.502 4.000 50 0 FIAALO CC(C)(C)[C@@H]1CCC2=C(C#N)C(=[NH2+])[C@](C#N)(c3ccccc3)[C@H](C#N)[C@H]2C1 ZINC000013881985 571308088 /nfs/dbraw/zinc/30/80/88/571308088.db2.gz YOIGSSDLAWGEHW-RWSUSOHTSA-N 1 2 356.473 4.336 50 0 FIAALO O=C(C[N@@H+]1CCc2sccc2C1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000079103465 571326971 /nfs/dbraw/zinc/32/69/71/571326971.db2.gz MIDSRSDROCVQOD-KNQAVFIVSA-N 1 2 366.530 4.034 50 0 FIAALO O=C(C[N@H+]1CCc2sccc2C1)N1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000079103465 571326972 /nfs/dbraw/zinc/32/69/72/571326972.db2.gz MIDSRSDROCVQOD-KNQAVFIVSA-N 1 2 366.530 4.034 50 0 FIAALO Cc1nc(C)c(-c2cccc(C(=O)NCC[C@@H](C)n3cc[nH+]c3)c2)s1 ZINC000426506851 1101807818 /nfs/dbraw/zinc/80/78/18/1101807818.db2.gz RWMPISPADGVKAL-CYBMUJFWSA-N 1 2 354.479 4.005 50 0 FIAALO O=C(CN1c2ccccc2N2CCC[NH+]=C12)c1ccc(Cl)c(Cl)c1 ZINC000001187596 219387729 /nfs/dbraw/zinc/38/77/29/219387729.db2.gz ZURXWSCMACOJCM-UHFFFAOYSA-N 1 2 360.244 4.262 50 0 FIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000012544676 220006062 /nfs/dbraw/zinc/00/60/62/220006062.db2.gz IIYPBYFMHKDDRQ-UHFFFAOYSA-N 1 2 367.880 4.236 50 0 FIAALO COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1 ZINC000003339978 204092706 /nfs/dbraw/zinc/09/27/06/204092706.db2.gz XDMMMCAWRLXGAS-OAQYLSRUSA-N 1 2 365.473 4.096 50 0 FIAALO Cn1c(-c2ccc(Cl)cc2)cn2cc(-c3ccc4c(c3)OCO4)[nH+]c21 ZINC000004678621 204153959 /nfs/dbraw/zinc/15/39/59/204153959.db2.gz NNMFWXRPSGFQMG-UHFFFAOYSA-N 1 2 351.793 4.389 50 0 FIAALO COc1ccc(CC(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)cc1 ZINC000004809614 204164087 /nfs/dbraw/zinc/16/40/87/204164087.db2.gz YMHUVQRMOVTZFB-UHFFFAOYSA-N 1 2 371.440 4.500 50 0 FIAALO CCNc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(NCC)[nH+]1 ZINC000004329698 204133822 /nfs/dbraw/zinc/13/38/22/204133822.db2.gz LBNGCCDFMRIIFT-UHFFFAOYSA-N 1 2 350.426 4.271 50 0 FIAALO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000004336807 204134459 /nfs/dbraw/zinc/13/44/59/204134459.db2.gz ODDBUFDUGWAQCW-UHFFFAOYSA-N 1 2 363.288 4.388 50 0 FIAALO CC(C)(C)[N@@H+]1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 ZINC000004866118 204170515 /nfs/dbraw/zinc/17/05/15/204170515.db2.gz XAJWMWFANBOTLV-UHFFFAOYSA-N 1 2 372.896 4.263 50 0 FIAALO CC(C)(C)[N@H+]1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 ZINC000004866118 204170519 /nfs/dbraw/zinc/17/05/19/204170519.db2.gz XAJWMWFANBOTLV-UHFFFAOYSA-N 1 2 372.896 4.263 50 0 FIAALO COc1ccc(Cl)cc1-c1nc(SCc2cn3ccccc3[nH+]2)n[nH]1 ZINC000006463826 204249915 /nfs/dbraw/zinc/24/99/15/204249915.db2.gz GVEPLEUUFIBZOM-UHFFFAOYSA-N 1 2 371.853 4.074 50 0 FIAALO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000006638980 204257026 /nfs/dbraw/zinc/25/70/26/204257026.db2.gz CSHXLKZJDZUMHS-HXUWFJFHSA-N 1 2 350.418 4.148 50 0 FIAALO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000007356984 204295983 /nfs/dbraw/zinc/29/59/83/204295983.db2.gz SRDJFOYGKCHFPY-NSHDSACASA-N 1 2 357.306 4.364 50 0 FIAALO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000007356984 204295988 /nfs/dbraw/zinc/29/59/88/204295988.db2.gz SRDJFOYGKCHFPY-NSHDSACASA-N 1 2 357.306 4.364 50 0 FIAALO CC(C)Cn1c(Cn2cc[nH+]c2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000006665586 204260107 /nfs/dbraw/zinc/26/01/07/204260107.db2.gz AZHIIMSBHXOUTG-UHFFFAOYSA-N 1 2 373.460 4.189 50 0 FIAALO CCN(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)C(=O)c1ccc(C)cc1 ZINC000006690745 204261060 /nfs/dbraw/zinc/26/10/60/204261060.db2.gz HHVOHDOKVVZEMR-UHFFFAOYSA-N 1 2 369.415 4.180 50 0 FIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000007927203 204311339 /nfs/dbraw/zinc/31/13/39/204311339.db2.gz SUXMBJMDQFIILI-AWEZNQCLSA-N 1 2 364.898 4.021 50 0 FIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccccc1Cl ZINC000007927203 204311344 /nfs/dbraw/zinc/31/13/44/204311344.db2.gz SUXMBJMDQFIILI-AWEZNQCLSA-N 1 2 364.898 4.021 50 0 FIAALO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2ccccc2c1)c1ccccc1F ZINC000009335949 204363134 /nfs/dbraw/zinc/36/31/34/204363134.db2.gz UUUIMDHQEIQPKV-HXUWFJFHSA-N 1 2 359.404 4.232 50 0 FIAALO C[C@@H](Sc1[nH+]cc2ccccn21)C(=O)Nc1ncc(Cl)cc1Cl ZINC000008709988 204340463 /nfs/dbraw/zinc/34/04/63/204340463.db2.gz AAIOENGKNVKWEM-SECBINFHSA-N 1 2 367.261 4.155 50 0 FIAALO COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000010227652 204393125 /nfs/dbraw/zinc/39/31/25/204393125.db2.gz COMCFGREGQVWDR-SFHVURJKSA-N 1 2 362.832 4.263 50 0 FIAALO COc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2F)c1 ZINC000010227652 204393127 /nfs/dbraw/zinc/39/31/27/204393127.db2.gz COMCFGREGQVWDR-SFHVURJKSA-N 1 2 362.832 4.263 50 0 FIAALO FC(F)(F)c1ccc2nn(C[N@H+](C3CC3)C3CCCC3)c(=S)n2c1 ZINC000036390933 205014931 /nfs/dbraw/zinc/01/49/31/205014931.db2.gz PDCCFRXXKQPGMK-UHFFFAOYSA-N 1 2 356.417 4.249 50 0 FIAALO FC(F)(F)c1ccc2nn(C[N@@H+](C3CC3)C3CCCC3)c(=S)n2c1 ZINC000036390933 205014932 /nfs/dbraw/zinc/01/49/32/205014932.db2.gz PDCCFRXXKQPGMK-UHFFFAOYSA-N 1 2 356.417 4.249 50 0 FIAALO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc2ccccc2cc1O ZINC000036660789 205019489 /nfs/dbraw/zinc/01/94/89/205019489.db2.gz ZOJKNHZSDSNKEY-UHFFFAOYSA-N 1 2 359.429 4.024 50 0 FIAALO O=C(CCCc1cccs1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000040122064 205058956 /nfs/dbraw/zinc/05/89/56/205058956.db2.gz CCEYSORKUKJSIJ-UHFFFAOYSA-N 1 2 357.523 4.163 50 0 FIAALO Cn1cc(-c2nc(C[NH2+]C(c3ccccc3)c3ccccc3)cs2)cn1 ZINC000040149666 205059882 /nfs/dbraw/zinc/05/98/82/205059882.db2.gz BPTDNBJIHIVRRX-UHFFFAOYSA-N 1 2 360.486 4.423 50 0 FIAALO CC(C)c1[nH]c2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2[nH+]1 ZINC000040286121 205066012 /nfs/dbraw/zinc/06/60/12/205066012.db2.gz NAPYJWLNEJCWNT-UHFFFAOYSA-N 1 2 365.433 4.029 50 0 FIAALO O=C(c1ccc(C[NH+]2CCOCC2)cc1)c1cc(Cl)ccc1Cl ZINC000043210864 205101362 /nfs/dbraw/zinc/10/13/62/205101362.db2.gz HSPKKNOSEAWLLW-UHFFFAOYSA-N 1 2 350.245 4.057 50 0 FIAALO Cc1ccc2[nH+]c(COc3ccccc3C(=O)N3CCCCCC3)cn2c1 ZINC000047046563 205140947 /nfs/dbraw/zinc/14/09/47/205140947.db2.gz SZEOEWRCSILSKR-UHFFFAOYSA-N 1 2 363.461 4.238 50 0 FIAALO O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2c[nH+]c3n2CCC3)cc1 ZINC000085556826 205171785 /nfs/dbraw/zinc/17/17/85/205171785.db2.gz MSKSXCDOZVBOSL-UHFFFAOYSA-N 1 2 367.836 4.167 50 0 FIAALO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc(Cl)c1Cl ZINC000057756277 205245027 /nfs/dbraw/zinc/24/50/27/205245027.db2.gz XEHZBBDRNGXTCR-UHFFFAOYSA-N 1 2 366.170 4.024 50 0 FIAALO Fc1ccc(NC(=S)N2CCC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000058091373 205248794 /nfs/dbraw/zinc/24/87/94/205248794.db2.gz YJQWGWFQHRARRD-UHFFFAOYSA-N 1 2 363.889 4.341 50 0 FIAALO Fc1ccc(NC(=S)N2CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000058091373 205248795 /nfs/dbraw/zinc/24/87/95/205248795.db2.gz YJQWGWFQHRARRD-UHFFFAOYSA-N 1 2 363.889 4.341 50 0 FIAALO Cc1ccccc1Nc1c(C(=O)N2CCSCC2)c[nH+]c2ccccc21 ZINC000064471724 205298918 /nfs/dbraw/zinc/29/89/18/205298918.db2.gz WTOUDLMNUGTMMV-UHFFFAOYSA-N 1 2 363.486 4.476 50 0 FIAALO COc1cccc(-c2cc(C[NH2+]Cc3nc4c(ccc(C)c4C)[nH]3)on2)c1 ZINC000065531664 205358293 /nfs/dbraw/zinc/35/82/93/205358293.db2.gz ITPPBKQEYOFUKL-UHFFFAOYSA-N 1 2 362.433 4.133 50 0 FIAALO Cc1[nH+]c[nH]c1CN1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676120 205382020 /nfs/dbraw/zinc/38/20/20/205382020.db2.gz YHOIYPVKAAXHMG-UHFFFAOYSA-N 1 2 369.852 4.139 50 0 FIAALO c1ccc2c(c1)CCN(c1[nH+]cccc1CNc1cnc3ccccc3n1)C2 ZINC000067805359 205393390 /nfs/dbraw/zinc/39/33/90/205393390.db2.gz ZLLGEDIFRXCVIS-UHFFFAOYSA-N 1 2 367.456 4.200 50 0 FIAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](Cc1cccc(O)c1)CCO2 ZINC000067834195 205395901 /nfs/dbraw/zinc/39/59/01/205395901.db2.gz PZSZLGDYALMOIF-UHFFFAOYSA-N 1 2 361.441 4.468 50 0 FIAALO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](Cc1cccc(O)c1)CCO2 ZINC000067834195 205395906 /nfs/dbraw/zinc/39/59/06/205395906.db2.gz PZSZLGDYALMOIF-UHFFFAOYSA-N 1 2 361.441 4.468 50 0 FIAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Cc1ccc(-c3ccccc3)cc1)C2 ZINC000112671248 206087684 /nfs/dbraw/zinc/08/76/84/206087684.db2.gz VWLOUBCXKOQNNL-UHFFFAOYSA-N 1 2 373.500 4.338 50 0 FIAALO C[C@H](c1nnc(SCc2ccccc2F)n1-c1ccc(F)cc1)[NH+](C)C ZINC000004500423 206178042 /nfs/dbraw/zinc/17/80/42/206178042.db2.gz HEYAGTNSLAWNEV-CYBMUJFWSA-N 1 2 374.460 4.460 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc4ccccc4n3)n2)CC1 ZINC000014526824 206310806 /nfs/dbraw/zinc/31/08/06/206310806.db2.gz IWCOJMHWVNCAQD-UHFFFAOYSA-N 1 2 366.490 4.176 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017041153 206322299 /nfs/dbraw/zinc/32/22/99/206322299.db2.gz GTIZUONOURJNBM-VBQJREDUSA-N 1 2 370.522 4.181 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000017041153 206322301 /nfs/dbraw/zinc/32/23/01/206322301.db2.gz GTIZUONOURJNBM-VBQJREDUSA-N 1 2 370.522 4.181 50 0 FIAALO CC(C)=CC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020917248 206346391 /nfs/dbraw/zinc/34/63/91/206346391.db2.gz QOWKLTMETQIEFI-UHFFFAOYSA-N 1 2 370.443 4.165 50 0 FIAALO Cc1cc(N2CCC(c3nnc4n3CCCCC4)CC2)[nH+]c2ccccc12 ZINC000077378163 132182721 /nfs/dbraw/zinc/18/27/21/132182721.db2.gz XTNONEKHNSHHAX-UHFFFAOYSA-N 1 2 361.493 4.245 50 0 FIAALO Oc1ccc([NH+]2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000043808025 136121402 /nfs/dbraw/zinc/12/14/02/136121402.db2.gz KXHMPYHAQBAPJK-UHFFFAOYSA-N 1 2 353.340 4.339 50 0 FIAALO Cc1cccc(N2CC[NH+](CC(=O)Nc3cc(Cl)ccc3C)CC2)c1C ZINC000054225151 136125398 /nfs/dbraw/zinc/12/53/98/136125398.db2.gz HHKAWXTYKDGWHI-UHFFFAOYSA-N 1 2 371.912 4.026 50 0 FIAALO FC(F)(F)c1cccc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)c1 ZINC000057315257 136128643 /nfs/dbraw/zinc/12/86/43/136128643.db2.gz PRBRBZCCSLVRIY-UHFFFAOYSA-N 1 2 361.367 4.169 50 0 FIAALO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000057395824 136129097 /nfs/dbraw/zinc/12/90/97/136129097.db2.gz JJXYUSIQKAYSIP-CYBMUJFWSA-N 1 2 374.897 4.335 50 0 FIAALO C[N@H+](Cc1cc2ccccc2s1)Cc1nc(COc2ccccc2)no1 ZINC000020878207 523188239 /nfs/dbraw/zinc/18/82/39/523188239.db2.gz JLBLKEFQMPGNAR-UHFFFAOYSA-N 1 2 365.458 4.495 50 0 FIAALO C[N@@H+](Cc1cc2ccccc2s1)Cc1nc(COc2ccccc2)no1 ZINC000020878207 523188247 /nfs/dbraw/zinc/18/82/47/523188247.db2.gz JLBLKEFQMPGNAR-UHFFFAOYSA-N 1 2 365.458 4.495 50 0 FIAALO Cc1cccc2cc(C(=O)N3CCC[C@H](c4[nH+]ccn4CC4CC4)C3)oc21 ZINC000082137082 524970844 /nfs/dbraw/zinc/97/08/44/524970844.db2.gz KLRKAODYXSUCRV-SFHVURJKSA-N 1 2 363.461 4.368 50 0 FIAALO COc1cccc(N2CC[N@@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]2C)c1 ZINC000089939383 526155197 /nfs/dbraw/zinc/15/51/97/526155197.db2.gz CIFDOEARVMJCQO-CVEARBPZSA-N 1 2 357.498 4.252 50 0 FIAALO COc1cccc(N2CC[N@H+]([C@@H](C)c3ncc(C(C)(C)C)o3)C[C@H]2C)c1 ZINC000089939383 526155205 /nfs/dbraw/zinc/15/52/05/526155205.db2.gz CIFDOEARVMJCQO-CVEARBPZSA-N 1 2 357.498 4.252 50 0 FIAALO CCCc1ccc([C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)C(C)C)cc1 ZINC000024914111 568254391 /nfs/dbraw/zinc/25/43/91/568254391.db2.gz WZHSXKYDBVAQAG-NRFANRHFSA-N 1 2 362.477 4.347 50 0 FIAALO CCOC(=O)c1c(C)n(-c2ccc([NH+](C)C)cc2)c2ccc(OC)cc21 ZINC000000835758 568488063 /nfs/dbraw/zinc/48/80/63/568488063.db2.gz FBFXADJEPSJZGS-UHFFFAOYSA-N 1 2 352.434 4.190 50 0 FIAALO COc1cccc([C@@H]2CC[N@@H+]2Cc2cc(=O)c3cccc(Cl)c3[nH]2)c1 ZINC000091808587 570439560 /nfs/dbraw/zinc/43/95/60/570439560.db2.gz ZFFLBKDYUCSPOB-SFHVURJKSA-N 1 2 354.837 4.137 50 0 FIAALO COc1cccc([C@@H]2CC[N@H+]2Cc2cc(=O)c3cccc(Cl)c3[nH]2)c1 ZINC000091808587 570439561 /nfs/dbraw/zinc/43/95/61/570439561.db2.gz ZFFLBKDYUCSPOB-SFHVURJKSA-N 1 2 354.837 4.137 50 0 FIAALO Cc1c(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)[nH]c2c1c(C)ccc2C ZINC000091872553 570441462 /nfs/dbraw/zinc/44/14/62/570441462.db2.gz BWAHKMPGHUFGNU-UHFFFAOYSA-N 1 2 363.461 4.172 50 0 FIAALO CSc1ccc(CC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1 ZINC000091876566 570441573 /nfs/dbraw/zinc/44/15/73/570441573.db2.gz RFFJJBNKKLHKBP-UHFFFAOYSA-N 1 2 357.523 4.135 50 0 FIAALO CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(c2[nH+]ccn2CC)CC1 ZINC000091987058 570443966 /nfs/dbraw/zinc/44/39/66/570443966.db2.gz CRTIRQJSIGNJMD-QGZVFWFLSA-N 1 2 369.509 4.202 50 0 FIAALO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CCC3)C2)c(F)c1 ZINC000095378209 570457908 /nfs/dbraw/zinc/45/79/08/570457908.db2.gz TYWXXWRUVLOOEW-QGZVFWFLSA-N 1 2 355.457 4.151 50 0 FIAALO CCCOc1ccccc1C(=O)N1CCC(c2[nH+]ccn2CC2CC2)CC1 ZINC000095520825 570467353 /nfs/dbraw/zinc/46/73/53/570467353.db2.gz GYDOYTPMQCCVKC-UHFFFAOYSA-N 1 2 367.493 4.102 50 0 FIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccccc1N1CCCCC1 ZINC000023792996 570544972 /nfs/dbraw/zinc/54/49/72/570544972.db2.gz PITAJUAVHGBTGG-UHFFFAOYSA-N 1 2 362.477 4.228 50 0 FIAALO CC(C)CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCC(C)C)C1 ZINC000034906781 570559695 /nfs/dbraw/zinc/55/96/95/570559695.db2.gz KKRAOBKYDKSBJC-GOSISDBHSA-N 1 2 370.541 4.071 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cnc(-c3cccs3)[nH]2)c1 ZINC000079059124 570634865 /nfs/dbraw/zinc/63/48/65/570634865.db2.gz BVYWTLDJUJMXLU-QGZVFWFLSA-N 1 2 369.490 4.493 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cnc(-c3cccs3)[nH]2)c1 ZINC000079059124 570634868 /nfs/dbraw/zinc/63/48/68/570634868.db2.gz BVYWTLDJUJMXLU-QGZVFWFLSA-N 1 2 369.490 4.493 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2c[nH]c(-c3cccs3)n2)c1 ZINC000079059124 570634872 /nfs/dbraw/zinc/63/48/72/570634872.db2.gz BVYWTLDJUJMXLU-QGZVFWFLSA-N 1 2 369.490 4.493 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2c[nH]c(-c3cccs3)n2)c1 ZINC000079059124 570634875 /nfs/dbraw/zinc/63/48/75/570634875.db2.gz BVYWTLDJUJMXLU-QGZVFWFLSA-N 1 2 369.490 4.493 50 0 FIAALO Clc1ccccc1OC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000011932911 570711929 /nfs/dbraw/zinc/71/19/29/570711929.db2.gz VABOSXGXINNNBW-UHFFFAOYSA-N 1 2 369.852 4.433 50 0 FIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(Cl)ccc1F ZINC000012793373 570762314 /nfs/dbraw/zinc/76/23/14/570762314.db2.gz MDGVQDHRPSUTDA-UHFFFAOYSA-N 1 2 353.850 4.174 50 0 FIAALO C[C@H]1c2ccsc2CC[N@H+]1CC(=O)Nc1cccc(Br)c1 ZINC000012999613 570772100 /nfs/dbraw/zinc/77/21/00/570772100.db2.gz WVLXWJZQDUFZJH-NSHDSACASA-N 1 2 365.296 4.068 50 0 FIAALO C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(Br)c1 ZINC000012999613 570772103 /nfs/dbraw/zinc/77/21/03/570772103.db2.gz WVLXWJZQDUFZJH-NSHDSACASA-N 1 2 365.296 4.068 50 0 FIAALO Clc1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc2c1OCO2 ZINC000032850905 570821743 /nfs/dbraw/zinc/82/17/43/570821743.db2.gz RHCBARSUTVVDBE-UHFFFAOYSA-N 1 2 365.260 4.044 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)C(F)(F)c3ccccc3)n2)CC1 ZINC000032933192 570872408 /nfs/dbraw/zinc/87/24/08/570872408.db2.gz AJLYTRKNEQWARZ-UHFFFAOYSA-N 1 2 365.449 4.106 50 0 FIAALO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC[NH+]=C1C ZINC000020413036 570915442 /nfs/dbraw/zinc/91/54/42/570915442.db2.gz AEYFZIKOESEOEJ-UHFFFAOYSA-N 1 2 352.221 4.221 50 0 FIAALO CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023732733 570967411 /nfs/dbraw/zinc/96/74/11/570967411.db2.gz SAEUQKCKPVQNJI-UHFFFAOYSA-N 1 2 368.289 4.314 50 0 FIAALO CC[N@H+](Cc1ccc(Cl)s1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000023732733 570967409 /nfs/dbraw/zinc/96/74/09/570967409.db2.gz 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CC[C@H](C)c1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000100776926 132233147 /nfs/dbraw/zinc/23/31/47/132233147.db2.gz BXDZSEGUROVOQQ-INIZCTEOSA-N 1 2 354.523 4.114 50 0 FIAALO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)cc1C ZINC000034682348 136117876 /nfs/dbraw/zinc/11/78/76/136117876.db2.gz GDZCXXBAOPNYGW-KRWDZBQOSA-N 1 2 371.912 4.106 50 0 FIAALO CC(=O)c1ccc(N2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000053033301 136124779 /nfs/dbraw/zinc/12/47/79/136124779.db2.gz SYTYBFDKDAXRMG-UHFFFAOYSA-N 1 2 362.395 4.230 50 0 FIAALO Clc1ccccc1N1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000055543060 136126774 /nfs/dbraw/zinc/12/67/74/136126774.db2.gz YYJVLGUBICSTME-UHFFFAOYSA-N 1 2 365.702 4.425 50 0 FIAALO Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000055542980 136126887 /nfs/dbraw/zinc/12/68/87/136126887.db2.gz BFDLTIAGNFPDMX-UHFFFAOYSA-N 1 2 363.274 4.219 50 0 FIAALO Clc1ccc(N2CC[NH+](Cc3ccc(Br)s3)CC2)cc1 ZINC000055543695 136127029 /nfs/dbraw/zinc/12/70/29/136127029.db2.gz OPWODRHMCLEXSM-UHFFFAOYSA-N 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DSXNTUKJRVVPJR-JBVUFVISSA-N 1 2 369.827 4.132 50 0 FIAALO COC(=O)C(C)(C)CCCOc1ccc(C2=[NH+]Cc3ccccc3N2)cc1 ZINC000096028195 571334143 /nfs/dbraw/zinc/33/41/43/571334143.db2.gz HSIHTNMMCKAKQC-UHFFFAOYSA-N 1 2 366.461 4.226 50 0 FIAALO CCN(Cc1c[nH+]c2ccccn12)C(=O)Nc1ccccc1C(F)(F)F ZINC000096097151 571334287 /nfs/dbraw/zinc/33/42/87/571334287.db2.gz BXFZDTXNDMPPTM-UHFFFAOYSA-N 1 2 362.355 4.407 50 0 FIAALO Fc1cccc(C[N@@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c1 ZINC000021639663 571335306 /nfs/dbraw/zinc/33/53/06/571335306.db2.gz XYSCJJJDIDCBHO-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO Fc1cccc(C[N@H+]2CCc3nc(Nc4ccccc4F)ncc3C2)c1 ZINC000021639663 571335307 /nfs/dbraw/zinc/33/53/07/571335307.db2.gz XYSCJJJDIDCBHO-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(-c2ccccc2F)s1 ZINC000028875558 571341279 /nfs/dbraw/zinc/34/12/79/571341279.db2.gz DWYXROHQNRZTAT-UHFFFAOYSA-N 1 2 351.406 4.132 50 0 FIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)Cc2ccco2)c1 ZINC000057456515 571343514 /nfs/dbraw/zinc/34/35/14/571343514.db2.gz CJSWSBOADXEQIE-HXUWFJFHSA-N 1 2 350.418 4.100 50 0 FIAALO COc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)Cc2ccco2)c1 ZINC000057456515 571343515 /nfs/dbraw/zinc/34/35/15/571343515.db2.gz CJSWSBOADXEQIE-HXUWFJFHSA-N 1 2 350.418 4.100 50 0 FIAALO CNC(=O)c1ccc(C[N@H+](C)Cc2nc3ccccc3c(C)c2Cl)cc1 ZINC000029930290 571344442 /nfs/dbraw/zinc/34/44/42/571344442.db2.gz OXKLZCCENMILEK-UHFFFAOYSA-N 1 2 367.880 4.188 50 0 FIAALO CNC(=O)c1ccc(C[N@@H+](C)Cc2nc3ccccc3c(C)c2Cl)cc1 ZINC000029930290 571344443 /nfs/dbraw/zinc/34/44/43/571344443.db2.gz OXKLZCCENMILEK-UHFFFAOYSA-N 1 2 367.880 4.188 50 0 FIAALO [NH2+]=C1c2ccccc2CN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000003183117 571345328 /nfs/dbraw/zinc/34/53/28/571345328.db2.gz DKCLMDIZBCMJHP-UHFFFAOYSA-N 1 2 374.284 4.344 50 0 FIAALO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000670435456 571346568 /nfs/dbraw/zinc/34/65/68/571346568.db2.gz BQCSDTQRVBNIJV-SFHVURJKSA-N 1 2 361.445 4.417 50 0 FIAALO COc1cc(OC)c2[nH+]c(C)c3c(c2c1)N(c1ccccc1OC)CC3 ZINC000004050979 571354544 /nfs/dbraw/zinc/35/45/44/571354544.db2.gz FOVFUKZHBUGTNB-UHFFFAOYSA-N 1 2 350.418 4.263 50 0 FIAALO Cc1ccc2[nH]c([C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C(C)C)nc2c1 ZINC000670469702 571359704 /nfs/dbraw/zinc/35/97/04/571359704.db2.gz BYEJBBXWYNYXII-HXUWFJFHSA-N 1 2 373.460 4.184 50 0 FIAALO Cc1ccc2nc([C@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C(C)C)[nH]c2c1 ZINC000670469702 571359705 /nfs/dbraw/zinc/35/97/05/571359705.db2.gz BYEJBBXWYNYXII-HXUWFJFHSA-N 1 2 373.460 4.184 50 0 FIAALO Cc1ccc2[nH]c([C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C(C)C)nc2c1 ZINC000670469701 571359730 /nfs/dbraw/zinc/35/97/30/571359730.db2.gz BYEJBBXWYNYXII-FQEVSTJZSA-N 1 2 373.460 4.184 50 0 FIAALO Cc1ccc2nc([C@@H](NC(=O)c3ccc(-n4cc[nH+]c4)cc3)C(C)C)[nH]c2c1 ZINC000670469701 571359731 /nfs/dbraw/zinc/35/97/31/571359731.db2.gz BYEJBBXWYNYXII-FQEVSTJZSA-N 1 2 373.460 4.184 50 0 FIAALO O[C@@]1(c2ccccc2)C=C(C(F)(F)F)[NH2+]N1c1cccc2cccnc21 ZINC000022342625 1082298110 /nfs/dbraw/zinc/29/81/10/1082298110.db2.gz QRNOZADNUZYPAK-GOSISDBHSA-N 1 2 357.335 4.209 50 0 FIAALO Cc1c[nH+]c([C@H]2CCN(C(=O)CCc3ccccc3)C2)n1Cc1ccccc1 ZINC000575317124 1109857282 /nfs/dbraw/zinc/85/72/82/1109857282.db2.gz BPWXJLKCUTXTLC-QFIPXVFZSA-N 1 2 373.500 4.189 50 0 FIAALO CCCCc1nc(Cl)c(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)[nH]1 ZINC000097105420 209170871 /nfs/dbraw/zinc/17/08/71/209170871.db2.gz LZUPNKYESMRBJX-IBGZPJMESA-N 1 2 361.917 4.351 50 0 FIAALO O=C(CN1c2ccccc2N2CC[NH+]=C12)c1ccc(-c2ccccc2)cc1 ZINC000004251680 207009266 /nfs/dbraw/zinc/00/92/66/207009266.db2.gz JPCYSKNELCOPKJ-UHFFFAOYSA-N 1 2 353.425 4.233 50 0 in-vitro FIAALO Cn1c(-c2ccccc2)nn(C[NH+]2CCC(c3ccccc3)CC2)c1=S ZINC000004524130 207025362 /nfs/dbraw/zinc/02/53/62/207025362.db2.gz ZKTIJZRIZQLNNV-UHFFFAOYSA-N 1 2 364.518 4.455 50 0 FIAALO Cc1cc2[nH+]cn(CCOCCOc3ccc4c(c3)CCC4)c2cc1C ZINC000004759493 207047028 /nfs/dbraw/zinc/04/70/28/207047028.db2.gz IQKITGGKLFMVJB-UHFFFAOYSA-N 1 2 350.462 4.237 50 0 FIAALO Cc1cccn2cc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH+]c12 ZINC000006103646 207128930 /nfs/dbraw/zinc/12/89/30/207128930.db2.gz FWZMHSVSKWIYMX-UHFFFAOYSA-N 1 2 369.881 4.478 50 0 FIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc2nc(C)sc2c1 ZINC000006590590 207147157 /nfs/dbraw/zinc/14/71/57/207147157.db2.gz ZUMCEAYVCHRGLI-UHFFFAOYSA-N 1 2 350.447 4.156 50 0 FIAALO C[N@H+](CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1Cl ZINC000006639139 207150597 /nfs/dbraw/zinc/15/05/97/207150597.db2.gz SRENOBAKDQNZAC-UHFFFAOYSA-N 1 2 360.929 4.104 50 0 FIAALO C[N@@H+](CC(=O)NCC12CC3CC(CC(C3)C1)C2)Cc1ccccc1Cl ZINC000006639139 207150601 /nfs/dbraw/zinc/15/06/01/207150601.db2.gz SRENOBAKDQNZAC-UHFFFAOYSA-N 1 2 360.929 4.104 50 0 FIAALO CC(C)N(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)c1ccccc1F ZINC000006723330 207157121 /nfs/dbraw/zinc/15/71/21/207157121.db2.gz OIQMOEUZCWAEKN-UHFFFAOYSA-N 1 2 369.415 4.260 50 0 FIAALO CCOc1ccc(C[N@H+](C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000007077237 207187037 /nfs/dbraw/zinc/18/70/37/207187037.db2.gz HINJOGUWKQHBTQ-UHFFFAOYSA-N 1 2 360.508 4.157 50 0 FIAALO CCOc1ccc(C[N@@H+](C)Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000007077237 207187041 /nfs/dbraw/zinc/18/70/41/207187041.db2.gz HINJOGUWKQHBTQ-UHFFFAOYSA-N 1 2 360.508 4.157 50 0 FIAALO CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000008133849 207220861 /nfs/dbraw/zinc/22/08/61/207220861.db2.gz WASGQYZIUXKRTI-DHZHZOJOSA-N 1 2 374.469 4.154 50 0 FIAALO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc3ccccc32)cc1F ZINC000008130857 207221078 /nfs/dbraw/zinc/22/10/78/207221078.db2.gz FWMKFSJCDAFVLC-UHFFFAOYSA-N 1 2 352.409 4.058 50 0 FIAALO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc3ccccc32)cc1F ZINC000008130857 207221082 /nfs/dbraw/zinc/22/10/82/207221082.db2.gz FWMKFSJCDAFVLC-UHFFFAOYSA-N 1 2 352.409 4.058 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@@H+]1CCC[C@H](C)C1)S2 ZINC000036104742 207264163 /nfs/dbraw/zinc/26/41/63/207264163.db2.gz BXKQESUUVXUDLL-YOEHRIQHSA-N 1 2 370.522 4.189 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@H](c1ccc(C)cc1)[N@H+]1CCC[C@H](C)C1)S2 ZINC000036104742 207264167 /nfs/dbraw/zinc/26/41/67/207264167.db2.gz BXKQESUUVXUDLL-YOEHRIQHSA-N 1 2 370.522 4.189 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000036370389 207282578 /nfs/dbraw/zinc/28/25/78/207282578.db2.gz YKSSBHDJIUVGOV-JKIFEVAISA-N 1 2 370.522 4.181 50 0 FIAALO Cc1nc2n(n1)C(=O)C([C@@H](c1cccc(C)c1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000036370389 207282583 /nfs/dbraw/zinc/28/25/83/207282583.db2.gz YKSSBHDJIUVGOV-JKIFEVAISA-N 1 2 370.522 4.181 50 0 FIAALO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1F ZINC000010260904 207297558 /nfs/dbraw/zinc/29/75/58/207297558.db2.gz RJOSIYZWVFWYLC-MRXNPFEDSA-N 1 2 358.804 4.124 50 0 FIAALO CCc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)sc1C ZINC000010656376 207304361 /nfs/dbraw/zinc/30/43/61/207304361.db2.gz LVAYHZIFVVXHAH-QGZVFWFLSA-N 1 2 357.454 4.011 50 0 FIAALO CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)cc1 ZINC000012301909 207355768 /nfs/dbraw/zinc/35/57/68/207355768.db2.gz ALOXTPCFBOIBRX-HSZRJFAPSA-N 1 2 372.472 4.437 50 0 FIAALO Cc1[nH+]c[nH]c1CN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000012434113 207376263 /nfs/dbraw/zinc/37/62/63/207376263.db2.gz FFGHGHPGEJUQJY-OAQYLSRUSA-N 1 2 361.489 4.141 50 0 FIAALO CCCc1[nH+]c2ccccc2n1C[C@@H](O)c1cccc(Br)c1 ZINC000012525341 207384496 /nfs/dbraw/zinc/38/44/96/207384496.db2.gz WTCFZLYIRPNLNF-QGZVFWFLSA-N 1 2 359.267 4.485 50 0 FIAALO C[N@H+](Cc1ccc(F)cc1)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000012558229 207394018 /nfs/dbraw/zinc/39/40/18/207394018.db2.gz UJYOPBSMFZREND-UHFFFAOYSA-N 1 2 370.497 4.314 50 0 FIAALO C[N@@H+](Cc1ccc(F)cc1)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000012558229 207394020 /nfs/dbraw/zinc/39/40/20/207394020.db2.gz UJYOPBSMFZREND-UHFFFAOYSA-N 1 2 370.497 4.314 50 0 FIAALO Cc1c2cc(F)ccc2oc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000012578747 207395437 /nfs/dbraw/zinc/39/54/37/207395437.db2.gz DIDFFMKKNCXSJV-GOSISDBHSA-N 1 2 363.392 4.133 50 0 FIAALO Clc1ccccc1OCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000013724237 207479881 /nfs/dbraw/zinc/47/98/81/207479881.db2.gz LYINLNOXVRHWFJ-UHFFFAOYSA-N 1 2 373.909 4.151 50 0 FIAALO Cc1ccc(-c2nc3nc(C)cc(Nc4ccc([NH+](C)C)cc4)n3n2)cc1 ZINC000014610276 207524380 /nfs/dbraw/zinc/52/43/80/207524380.db2.gz IBGBJXZPGKNIGC-UHFFFAOYSA-N 1 2 358.449 4.218 50 0 FIAALO C[C@@H]([NH2+][C@@H](C)c1nc(N)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000032855732 208049532 /nfs/dbraw/zinc/04/95/32/208049532.db2.gz NKRKZNXXLKLFMF-OLZOCXBDSA-N 1 2 368.872 4.263 50 0 FIAALO Cc1ccsc1CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000032862967 208051741 /nfs/dbraw/zinc/05/17/41/208051741.db2.gz XXZFVXHUVQBHRE-HNNXBMFYSA-N 1 2 354.479 4.145 50 0 FIAALO Cn1ccnc1[C@@H]([NH2+]Cc1csc(Br)c1)c1ccccc1 ZINC000030642791 208002487 /nfs/dbraw/zinc/00/24/87/208002487.db2.gz GDEUDASMEPHZFN-HNNXBMFYSA-N 1 2 362.296 4.123 50 0 FIAALO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)[nH+]c2c1 ZINC000033072074 208070114 /nfs/dbraw/zinc/07/01/14/208070114.db2.gz GRGOJOSUEDPVQC-SFHVURJKSA-N 1 2 366.509 4.094 50 0 FIAALO Cc1ccc2[nH+]c(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)[nH]c2c1 ZINC000033072074 208070118 /nfs/dbraw/zinc/07/01/18/208070118.db2.gz GRGOJOSUEDPVQC-SFHVURJKSA-N 1 2 366.509 4.094 50 0 FIAALO CCCNC(=O)CSc1[nH+]ccc2c1ccn2Cc1cccc(C)c1 ZINC000033171536 208076411 /nfs/dbraw/zinc/07/64/11/208076411.db2.gz VXFKTLIMALAGDO-UHFFFAOYSA-N 1 2 353.491 4.011 50 0 FIAALO C[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2c(-c3ccccc3F)csc2[nH]1 ZINC000036203948 208150197 /nfs/dbraw/zinc/15/01/97/208150197.db2.gz QDZPZPZIXJAXPB-LBPRGKRZSA-N 1 2 357.454 4.165 50 0 FIAALO C[C@H]1CCCC[N@H+]1Cc1nc(=O)c2c(-c3ccccc3F)csc2[nH]1 ZINC000036203948 208150204 /nfs/dbraw/zinc/15/02/04/208150204.db2.gz QDZPZPZIXJAXPB-LBPRGKRZSA-N 1 2 357.454 4.165 50 0 FIAALO Cc1cc(N)nc(SCc2csc(Cc3ccc(Cl)cc3)n2)[nH+]1 ZINC000040088672 208224938 /nfs/dbraw/zinc/22/49/38/208224938.db2.gz CBZTVTGUOPTJHF-UHFFFAOYSA-N 1 2 362.911 4.360 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)CSc3ccccc3)n2)CC1 ZINC000043943695 208308533 /nfs/dbraw/zinc/30/85/33/208308533.db2.gz QJBXMTWOHALPHA-UHFFFAOYSA-N 1 2 361.536 4.106 50 0 FIAALO Fc1cccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019781836 220297066 /nfs/dbraw/zinc/29/70/66/220297066.db2.gz JLSADJFAJSPCMC-UHFFFAOYSA-N 1 2 352.375 4.162 50 0 FIAALO Fc1cccc(CN2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019781836 220297070 /nfs/dbraw/zinc/29/70/70/220297070.db2.gz JLSADJFAJSPCMC-UHFFFAOYSA-N 1 2 352.375 4.162 50 0 FIAALO C[N@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000058007526 208554119 /nfs/dbraw/zinc/55/41/19/208554119.db2.gz TUWJPOURXCHSPT-UHFFFAOYSA-N 1 2 353.369 4.449 50 0 FIAALO C[N@@H+](Cc1nc(-c2cccs2)no1)Cc1ccc(C(F)(F)F)cc1 ZINC000058007526 208554121 /nfs/dbraw/zinc/55/41/21/208554121.db2.gz TUWJPOURXCHSPT-UHFFFAOYSA-N 1 2 353.369 4.449 50 0 FIAALO Cc1scc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c1-c1ccccc1 ZINC000091895646 209003343 /nfs/dbraw/zinc/00/33/43/209003343.db2.gz 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C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1)c1ccccc1Cl ZINC000014247197 570815734 /nfs/dbraw/zinc/81/57/34/570815734.db2.gz BWBTYKCLEQVHSJ-CQSZACIVSA-N 1 2 360.860 4.321 50 0 FIAALO COc1cccc(N2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000016662632 570859923 /nfs/dbraw/zinc/85/99/23/570859923.db2.gz GEXBNWGRSWLYOE-UHFFFAOYSA-N 1 2 351.277 4.324 50 0 FIAALO O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1CCCn1cc[nH+]c1 ZINC000017075611 570867437 /nfs/dbraw/zinc/86/74/37/570867437.db2.gz QAONRTLPPLHDEA-UHFFFAOYSA-N 1 2 368.487 4.074 50 0 FIAALO CC1(C)CCc2cc(C[NH+]3CCN(Cc4ccccc4)CC3)ccc2O1 ZINC000019835033 570904312 /nfs/dbraw/zinc/90/43/12/570904312.db2.gz LJMXJQFUWNZDGX-UHFFFAOYSA-N 1 2 350.506 4.108 50 0 FIAALO COc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000020998499 570927900 /nfs/dbraw/zinc/92/79/00/570927900.db2.gz ZLKFHJHKCKWLKQ-HNNXBMFYSA-N 1 2 358.507 4.370 50 0 FIAALO COc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000020998499 570927904 /nfs/dbraw/zinc/92/79/04/570927904.db2.gz 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Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c(Cl)c1 ZINC000025422599 570995504 /nfs/dbraw/zinc/99/55/04/570995504.db2.gz YNROVMWCULOFHE-QGZVFWFLSA-N 1 2 371.912 4.106 50 0 FIAALO CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)c1 ZINC000225394268 571032834 /nfs/dbraw/zinc/03/28/34/571032834.db2.gz XBWPFZXMFPDMDP-UHFFFAOYSA-N 1 2 364.898 4.210 50 0 FIAALO CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)c1 ZINC000225394268 571032836 /nfs/dbraw/zinc/03/28/36/571032836.db2.gz XBWPFZXMFPDMDP-UHFFFAOYSA-N 1 2 364.898 4.210 50 0 FIAALO Cn1cc[nH+]c1-c1cccc(NC(=O)COc2ccccc2C(C)(C)C)c1 ZINC000040146444 571085466 /nfs/dbraw/zinc/08/54/66/571085466.db2.gz PVWQZSSAOBBWPA-UHFFFAOYSA-N 1 2 363.461 4.402 50 0 FIAALO Fc1ccc(-n2ncc3c2nc[nH+]c3N2CCC[C@H]2c2cccs2)cc1 ZINC000012813629 571114532 /nfs/dbraw/zinc/11/45/32/571114532.db2.gz GJPRXHDIFKGROV-INIZCTEOSA-N 1 2 365.437 4.358 50 0 FIAALO COc1cc2c(cc1C[N@@H+](Cc1ccsc1)Cc1ccco1)OCO2 ZINC000055226169 571118284 /nfs/dbraw/zinc/11/82/84/571118284.db2.gz GGDPJLOMGIKKAL-UHFFFAOYSA-N 1 2 357.431 4.281 50 0 FIAALO COc1cc2c(cc1C[N@H+](Cc1ccsc1)Cc1ccco1)OCO2 ZINC000055226169 571118288 /nfs/dbraw/zinc/11/82/88/571118288.db2.gz GGDPJLOMGIKKAL-UHFFFAOYSA-N 1 2 357.431 4.281 50 0 FIAALO CC[C@@H](C)Oc1ccc(C[NH2+]Cc2nc3ccc(OC)cc3[nH]2)cc1OC ZINC000055414562 571120698 /nfs/dbraw/zinc/12/06/98/571120698.db2.gz MHQKLMFNMOKFSD-CQSZACIVSA-N 1 2 369.465 4.047 50 0 FIAALO Cc1cccc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(Cl)cc2)c1 ZINC000010260891 571124426 /nfs/dbraw/zinc/12/44/26/571124426.db2.gz CIPMSDOTVYMVMY-QGZVFWFLSA-N 1 2 354.841 4.293 50 0 FIAALO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984463 571141439 /nfs/dbraw/zinc/14/14/39/571141439.db2.gz GKJNGHFXIFOIGJ-INIZCTEOSA-N 1 2 360.454 4.161 50 0 FIAALO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H]1c1cc(C(C)C)no1 ZINC000064984463 571141441 /nfs/dbraw/zinc/14/14/41/571141441.db2.gz GKJNGHFXIFOIGJ-INIZCTEOSA-N 1 2 360.454 4.161 50 0 FIAALO CSCCc1c(-c2ccccc2)[nH+]cn1C[C@@H](C)Oc1cccnc1 ZINC000065371652 571142027 /nfs/dbraw/zinc/14/20/27/571142027.db2.gz ORJPDABEYNRBOC-MRXNPFEDSA-N 1 2 353.491 4.318 50 0 FIAALO Cc1ccc(-c2nc(NCc3ccccn3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065370912 571142045 /nfs/dbraw/zinc/14/20/45/571142045.db2.gz UKGFCSXDLBVSEU-UHFFFAOYSA-N 1 2 368.444 4.103 50 0 FIAALO CCCn1cc[nH+]c1[C@@H]1CC(=O)Nc2c1c(C(C)C)nn2-c1ccccc1 ZINC000065404538 571143227 /nfs/dbraw/zinc/14/32/27/571143227.db2.gz MVOIJLDDDRVWSX-MRXNPFEDSA-N 1 2 363.465 4.076 50 0 FIAALO CCc1nnc(C[N@H+](Cc2cnc(-c3ccccc3C)s2)C(C)C)o1 ZINC000065425301 571143571 /nfs/dbraw/zinc/14/35/71/571143571.db2.gz PYRRCYBOURDSRP-UHFFFAOYSA-N 1 2 356.495 4.475 50 0 FIAALO CCc1nnc(C[N@@H+](Cc2cnc(-c3ccccc3C)s2)C(C)C)o1 ZINC000065425301 571143572 /nfs/dbraw/zinc/14/35/72/571143572.db2.gz PYRRCYBOURDSRP-UHFFFAOYSA-N 1 2 356.495 4.475 50 0 FIAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2Cc2ccc3c(c2)OCO3)[nH+]1 ZINC000065460895 571143840 /nfs/dbraw/zinc/14/38/40/571143840.db2.gz LATQDRDYTBBJCR-UHFFFAOYSA-N 1 2 358.401 4.026 50 0 FIAALO CC(=O)Nc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]c[nH+]2)cc1 ZINC000065493669 571144160 /nfs/dbraw/zinc/14/41/60/571144160.db2.gz LXNFZAQKBUCORK-UHFFFAOYSA-N 1 2 371.444 4.141 50 0 FIAALO Cc1cc(N2CCC(CO)(C[C@@H]3CCCCO3)CC2)[nH+]c2ccccc12 ZINC000067714567 571148505 /nfs/dbraw/zinc/14/85/05/571148505.db2.gz KYFWAYKILJBYPV-SFHVURJKSA-N 1 2 354.494 4.081 50 0 FIAALO Cc1cc(C[N@@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)on1 ZINC000067785821 571149427 /nfs/dbraw/zinc/14/94/27/571149427.db2.gz UZLCXICRQGDMDJ-UHFFFAOYSA-N 1 2 350.418 4.059 50 0 FIAALO Cc1cc(C[N@H+]2CCOc3c(O)cc(-c4ccccc4C)cc3C2)on1 ZINC000067785821 571149429 /nfs/dbraw/zinc/14/94/29/571149429.db2.gz UZLCXICRQGDMDJ-UHFFFAOYSA-N 1 2 350.418 4.059 50 0 FIAALO CCC1(CC)C[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067869194 571150738 /nfs/dbraw/zinc/15/07/38/571150738.db2.gz KGSLDIKKZBBAKP-HXUWFJFHSA-N 1 2 363.505 4.087 50 0 FIAALO c1coc(-c2ccccc2C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 ZINC000067909142 571151828 /nfs/dbraw/zinc/15/18/28/571151828.db2.gz PBPXVOPNMMJTMY-QFIPXVFZSA-N 1 2 356.429 4.212 50 0 FIAALO c1coc(-c2ccccc2C[N@H+]2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 ZINC000067909142 571151830 /nfs/dbraw/zinc/15/18/30/571151830.db2.gz PBPXVOPNMMJTMY-QFIPXVFZSA-N 1 2 356.429 4.212 50 0 FIAALO Cc1nc(-c2ccc(-n3cc[nH+]c3-c3ccc4onc(C)c4c3)cc2)n[nH]1 ZINC000067954987 571152539 /nfs/dbraw/zinc/15/25/39/571152539.db2.gz LPXJDCOGYDZXHU-UHFFFAOYSA-N 1 2 356.389 4.082 50 0 FIAALO Clc1ccc([C@H]2CN(Cc3c[nH+]cn3C3CC3)CCO2)cc1Cl ZINC000071422199 571161358 /nfs/dbraw/zinc/16/13/58/571161358.db2.gz UUURRNHLLFADAF-QGZVFWFLSA-N 1 2 352.265 4.098 50 0 FIAALO Cc1c2cc(F)ccc2sc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000053760200 571166152 /nfs/dbraw/zinc/16/61/52/571166152.db2.gz LLKSXWBHCAYADX-UHFFFAOYSA-N 1 2 361.467 4.046 50 0 FIAALO Cc1c2cc(F)ccc2sc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053760200 571166154 /nfs/dbraw/zinc/16/61/54/571166154.db2.gz LLKSXWBHCAYADX-UHFFFAOYSA-N 1 2 361.467 4.046 50 0 FIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1 ZINC000575615041 571168788 /nfs/dbraw/zinc/16/87/88/571168788.db2.gz AWKGGQVNROLRLZ-MRXNPFEDSA-N 1 2 369.465 4.050 50 0 FIAALO O=C(Nc1ccccc1C(F)(F)F)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000072135586 571171259 /nfs/dbraw/zinc/17/12/59/571171259.db2.gz DCCAJKNZEVSGIN-CQSZACIVSA-N 1 2 366.387 4.379 50 0 FIAALO Cc1cccc(-c2cc(C(=O)NCCCn3cc[nH+]c3)c3ccccc3n2)c1 ZINC000002083577 571175242 /nfs/dbraw/zinc/17/52/42/571175242.db2.gz BBFAPKNIXFDHNO-UHFFFAOYSA-N 1 2 370.456 4.227 50 0 FIAALO O=C(Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1)C(Cl)(Cl)Cl ZINC000012560499 571182730 /nfs/dbraw/zinc/18/27/30/571182730.db2.gz SMXBAXXRLFWAFH-UHFFFAOYSA-N 1 2 372.561 4.200 50 0 FIAALO Cc1nc2cc(NC(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2s1 ZINC000299775031 571196749 /nfs/dbraw/zinc/19/67/49/571196749.db2.gz JGXDRMYAGMTOQZ-INIZCTEOSA-N 1 2 357.483 4.038 50 0 FIAALO COC[C@@H](c1ccccn1)[N@H+](C)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000299780885 571197929 /nfs/dbraw/zinc/19/79/29/571197929.db2.gz COEQSICNVCLIOV-FQEVSTJZSA-N 1 2 351.450 4.173 50 0 FIAALO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1nc(-c2ccc(C)cc2)oc1C ZINC000299780885 571197932 /nfs/dbraw/zinc/19/79/32/571197932.db2.gz COEQSICNVCLIOV-FQEVSTJZSA-N 1 2 351.450 4.173 50 0 FIAALO CCSc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000299793466 571201677 /nfs/dbraw/zinc/20/16/77/571201677.db2.gz IERUBBSRYMDAPC-UHFFFAOYSA-N 1 2 357.479 4.269 50 0 FIAALO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(Br)cc1)CC2 ZINC000001227160 571203713 /nfs/dbraw/zinc/20/37/13/571203713.db2.gz VOIMJLGLDDBHSX-UHFFFAOYSA-N 1 2 362.267 4.025 50 0 biogenic FIAALO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(Br)cc1)CC2 ZINC000001227160 571203715 /nfs/dbraw/zinc/20/37/15/571203715.db2.gz VOIMJLGLDDBHSX-UHFFFAOYSA-N 1 2 362.267 4.025 50 0 biogenic FIAALO Cc1cccc(Nc2c(C(=O)N3CCOCC3)c[nH+]c3ccccc32)c1C ZINC000064471555 571207301 /nfs/dbraw/zinc/20/73/01/571207301.db2.gz QDIWNGZZTIUXIO-UHFFFAOYSA-N 1 2 361.445 4.068 50 0 FIAALO CC1=CC(C)(C)N2C(=O)[C@@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000019461946 571207981 /nfs/dbraw/zinc/20/79/81/571207981.db2.gz CFVDATSREJFCFC-XMMPIXPASA-N 1 2 369.468 4.099 50 0 biogenic FIAALO CCCC[C@@H](c1cccnc1)N(C)C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000426711220 571235966 /nfs/dbraw/zinc/23/59/66/571235966.db2.gz FHLXUMRQEFNENZ-IBGZPJMESA-N 1 2 365.481 4.111 50 0 FIAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2Cc2cccc3cccnc32)o1 ZINC000065514464 571264253 /nfs/dbraw/zinc/26/42/53/571264253.db2.gz KQJVRZLQKCMUFK-FQEVSTJZSA-N 1 2 356.429 4.226 50 0 FIAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2Cc2cccc3cccnc32)o1 ZINC000065514464 571264254 /nfs/dbraw/zinc/26/42/54/571264254.db2.gz KQJVRZLQKCMUFK-FQEVSTJZSA-N 1 2 356.429 4.226 50 0 FIAALO Fc1cccc2c(NCc3ccc(N4CCCCCC4)[nH+]c3)ncnc12 ZINC000252479230 571279942 /nfs/dbraw/zinc/27/99/42/571279942.db2.gz BBSWIYSNNTVFRW-UHFFFAOYSA-N 1 2 351.429 4.156 50 0 FIAALO Cc1[nH+]cc(CNc2nnc(-c3ccc4c(c3)CCC4)o2)n1-c1ccccc1 ZINC000252490866 571280897 /nfs/dbraw/zinc/28/08/97/571280897.db2.gz LDJGEMOTORXKNU-UHFFFAOYSA-N 1 2 371.444 4.332 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C)c2C)c1 ZINC000007716770 571286362 /nfs/dbraw/zinc/28/63/62/571286362.db2.gz UFWSFOLIPIJOBP-HXUWFJFHSA-N 1 2 368.477 4.096 50 0 FIAALO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C)c2C)c1 ZINC000007716770 571286363 /nfs/dbraw/zinc/28/63/63/571286363.db2.gz UFWSFOLIPIJOBP-HXUWFJFHSA-N 1 2 368.477 4.096 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000253418293 571312678 /nfs/dbraw/zinc/31/26/78/571312678.db2.gz FXKGKYVMQNBOJA-HUUCEWRRSA-N 1 2 372.350 4.028 50 0 FIAALO Fc1ccccc1C[N@@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639657 571335261 /nfs/dbraw/zinc/33/52/61/571335261.db2.gz MYFJMEAGNMVPTE-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO Fc1ccccc1C[N@H+]1CCc2nc(Nc3ccccc3F)ncc2C1 ZINC000021639657 571335262 /nfs/dbraw/zinc/33/52/62/571335262.db2.gz MYFJMEAGNMVPTE-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4cccnc4)c3)[nH+]c2c1 ZINC000021886233 571336128 /nfs/dbraw/zinc/33/61/28/571336128.db2.gz HGYVJERFCAAZEO-UHFFFAOYSA-N 1 2 356.429 4.304 50 0 FIAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4cccnc4)c3)[nH]c2c1 ZINC000021886233 571336129 /nfs/dbraw/zinc/33/61/29/571336129.db2.gz HGYVJERFCAAZEO-UHFFFAOYSA-N 1 2 356.429 4.304 50 0 FIAALO C[NH+](C)[C@H](CNc1ncnc2sccc21)c1c(F)cccc1Cl ZINC000057364292 571342857 /nfs/dbraw/zinc/34/28/57/571342857.db2.gz GQJQPQHEMLASIL-CYBMUJFWSA-N 1 2 350.850 4.199 50 0 FIAALO O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000057541940 571344440 /nfs/dbraw/zinc/34/44/40/571344440.db2.gz MIMMOSWOHZGSQW-QGZVFWFLSA-N 1 2 367.251 4.242 50 0 FIAALO C[N@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000003347998 571347966 /nfs/dbraw/zinc/34/79/66/571347966.db2.gz ACHSTEUIMXYRMC-UHFFFAOYSA-N 1 2 365.304 4.174 50 0 FIAALO C[N@@H+](CC(=O)NCCCc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000003347998 571347967 /nfs/dbraw/zinc/34/79/67/571347967.db2.gz ACHSTEUIMXYRMC-UHFFFAOYSA-N 1 2 365.304 4.174 50 0 FIAALO Cc1ccc2[nH+]c(CSc3nc(C4CC4)n(-c4ccccc4)n3)cn2c1 ZINC000006105354 1094491016 /nfs/dbraw/zinc/49/10/16/1094491016.db2.gz AAEUAZHBOOVFRT-UHFFFAOYSA-N 1 2 361.474 4.393 50 0 FIAALO O=S(=O)(Nc1ccc2c(c1)[nH+]cn2C1CCCCC1)c1ccc(F)cc1 ZINC000001068752 219363183 /nfs/dbraw/zinc/36/31/83/219363183.db2.gz KBAQMAJRMBMWEM-UHFFFAOYSA-N 1 2 373.453 4.481 50 0 FIAALO C(=C\c1ccccc1)\CN1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000098002154 209202352 /nfs/dbraw/zinc/20/23/52/209202352.db2.gz XZTWASIJFKJEGM-YFHOEESVSA-N 1 2 359.473 4.173 50 0 FIAALO C(=C\c1ccccc1)\C[NH+]1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000098002154 209202356 /nfs/dbraw/zinc/20/23/56/209202356.db2.gz XZTWASIJFKJEGM-YFHOEESVSA-N 1 2 359.473 4.173 50 0 FIAALO Cn1cc[nH+]c1[C@H](NC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1F ZINC000096926038 209163226 /nfs/dbraw/zinc/16/32/26/209163226.db2.gz HEZKJOXHCJMOMP-SCEWNMGZSA-N 1 2 369.827 4.132 50 0 FIAALO CCCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000096305730 209150246 /nfs/dbraw/zinc/15/02/46/209150246.db2.gz YORXJBBETQFSJV-UHFFFAOYSA-N 1 2 362.495 4.359 50 0 FIAALO CC(C)n1c2ccccc2[nH+]c1CCCCCNC(=O)c1cccnc1 ZINC000096232760 209141691 /nfs/dbraw/zinc/14/16/91/209141691.db2.gz FDYGPOZMJVFYNT-UHFFFAOYSA-N 1 2 350.466 4.155 50 0 FIAALO Fc1cccc(-c2nn(C[NH+]3CCCC3)c(=S)n2-c2ccccc2)c1 ZINC000004164706 207004580 /nfs/dbraw/zinc/00/45/80/207004580.db2.gz QLOVLXURLDQEQS-UHFFFAOYSA-N 1 2 354.454 4.263 50 0 FIAALO S=c1n(C[NH+]2CCCC2)nc(COc2ccccc2)n1-c1ccccc1 ZINC000004702263 207040054 /nfs/dbraw/zinc/04/00/54/207040054.db2.gz SIVDAXHPBGJWRI-UHFFFAOYSA-N 1 2 366.490 4.036 50 0 FIAALO Cc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000005627898 207109303 /nfs/dbraw/zinc/10/93/03/207109303.db2.gz ZAWGDAXONUOLSI-UHFFFAOYSA-N 1 2 358.239 4.054 50 0 FIAALO Cc1cccn2cc(CSc3ncnc4sc5c(c43)CCC5)[nH+]c12 ZINC000005902288 207121936 /nfs/dbraw/zinc/12/19/36/207121936.db2.gz XLUMIQVUGOAEGL-UHFFFAOYSA-N 1 2 352.488 4.428 50 0 FIAALO 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Cc1[nH+]c2ccccc2n1[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575618153 571170767 /nfs/dbraw/zinc/17/07/67/571170767.db2.gz SMVQOJDHTNPELI-SFHVURJKSA-N 1 2 372.472 4.232 50 0 FIAALO CCn1c2ccccc2c2cc(-c3[nH+]ccn3[C@H](C)c3nncn3C)ccc21 ZINC000072144773 571172627 /nfs/dbraw/zinc/17/26/27/571172627.db2.gz WBURIWZLOWIGJU-OAHLLOKOSA-N 1 2 370.460 4.416 50 0 FIAALO CC(C)c1[nH]c2cc(CCC(=O)Nc3ccc4c(c3)OCCO4)ccc2[nH+]1 ZINC000075478747 571188939 /nfs/dbraw/zinc/18/89/39/571188939.db2.gz VCWOUOLTEZSXJB-UHFFFAOYSA-N 1 2 365.433 4.029 50 0 FIAALO CC(C)c1[nH]c2ccc(CCC(=O)Nc3ccc4c(c3)OCCO4)cc2[nH+]1 ZINC000075478747 571188942 /nfs/dbraw/zinc/18/89/42/571188942.db2.gz VCWOUOLTEZSXJB-UHFFFAOYSA-N 1 2 365.433 4.029 50 0 FIAALO Cc1nc2cc(NC(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)ccc2s1 ZINC000299775035 571196775 /nfs/dbraw/zinc/19/67/75/571196775.db2.gz JGXDRMYAGMTOQZ-MRXNPFEDSA-N 1 2 357.483 4.038 50 0 FIAALO CCCCSCc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)oc1C ZINC000077298711 571206467 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FIAALO Cc1ccc2[nH+]c(N3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)[nH]c2c1 ZINC000003060365 571344509 /nfs/dbraw/zinc/34/45/09/571344509.db2.gz RSCKXGJOVOBHPW-SOLBZPMBSA-N 1 2 368.525 4.029 50 0 FIAALO CC[N@H+](CCCNC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000029955208 571344611 /nfs/dbraw/zinc/34/46/11/571344611.db2.gz KGOKRERLCXFMPB-UHFFFAOYSA-N 1 2 367.312 4.157 50 0 FIAALO CC[N@@H+](CCCNC(=O)c1ccc(Br)s1)c1ccccc1 ZINC000029955208 571344612 /nfs/dbraw/zinc/34/46/12/571344612.db2.gz KGOKRERLCXFMPB-UHFFFAOYSA-N 1 2 367.312 4.157 50 0 FIAALO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029421 571344868 /nfs/dbraw/zinc/34/48/68/571344868.db2.gz XDBXOPBQVMVUPU-HNAYVOBHSA-N 1 2 374.937 4.336 50 0 FIAALO C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030029421 571344869 /nfs/dbraw/zinc/34/48/69/571344869.db2.gz XDBXOPBQVMVUPU-HNAYVOBHSA-N 1 2 374.937 4.336 50 0 FIAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030029420 571344916 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COc1ccc(NC(=O)CC[C@@H]2CCCN(c3cccc[nH+]3)C2)c(C)c1 ZINC000011815731 1125141751 /nfs/dbraw/zinc/14/17/51/1125141751.db2.gz VJDIMYZHBXBDTD-KRWDZBQOSA-N 1 2 353.466 4.034 50 0 FIAALO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000112666156 209336496 /nfs/dbraw/zinc/33/64/96/209336496.db2.gz KDIVRFRLCURSSX-UHFFFAOYSA-N 1 2 352.265 4.049 50 0 FIAALO CCc1[nH]c2ccc(NC(=O)N(CCOC)Cc3sccc3C)cc2[nH+]1 ZINC000097823016 209199420 /nfs/dbraw/zinc/19/94/20/209199420.db2.gz UPRASZSTGVMNTQ-UHFFFAOYSA-N 1 2 372.494 4.176 50 0 FIAALO Cc1ccccc1[C@@H]1CCCN1C(=O)c1cnc(C[NH+]2CCCC2)s1 ZINC000097756429 209194710 /nfs/dbraw/zinc/19/47/10/209194710.db2.gz VUZJTNORUAVKKT-KRWDZBQOSA-N 1 2 355.507 4.025 50 0 FIAALO Cc1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2OCc2ccc(C)cc2)[nH]1 ZINC000097575087 209187788 /nfs/dbraw/zinc/18/77/88/209187788.db2.gz XDUSPMBOTHYBQO-HXUWFJFHSA-N 1 2 362.477 4.338 50 0 FIAALO Cc1nnc([C@H]2CCC[N@H+]2Cc2ccccc2OCc2ccc(C)cc2)[nH]1 ZINC000097575087 209187790 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CC(C)C[C@H](O)c1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1F)CCO2 ZINC000012124514 207340838 /nfs/dbraw/zinc/34/08/38/207340838.db2.gz HTJAWJBGXVASPH-IBGZPJMESA-N 1 2 361.432 4.439 50 0 FIAALO CC(C)C[C@H](O)c1ccc2c(c1)C[N@H+](Cc1cccc(F)c1F)CCO2 ZINC000012124514 207340844 /nfs/dbraw/zinc/34/08/44/207340844.db2.gz HTJAWJBGXVASPH-IBGZPJMESA-N 1 2 361.432 4.439 50 0 FIAALO Clc1cccc(OC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000012430054 207374449 /nfs/dbraw/zinc/37/44/49/207374449.db2.gz DASUGYPPEARLPX-UHFFFAOYSA-N 1 2 369.852 4.433 50 0 FIAALO CCn1ccnc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012433962 207375148 /nfs/dbraw/zinc/37/51/48/207375148.db2.gz KMTNKIXVDVZGCR-HNNXBMFYSA-N 1 2 365.399 4.017 50 0 FIAALO CCn1ccnc1C[N@H+]1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000012433962 207375154 /nfs/dbraw/zinc/37/51/54/207375154.db2.gz KMTNKIXVDVZGCR-HNNXBMFYSA-N 1 2 365.399 4.017 50 0 FIAALO Fc1ccccc1-n1cnn(C[N@@H+]2CCC[C@H]2c2ccccc2)c1=S ZINC000012537036 207389125 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50 0 FIAALO CCCCn1cc[nH+]c1C1CCN(C(=O)Nc2cc(F)ccc2F)CC1 ZINC000091846073 209000617 /nfs/dbraw/zinc/00/06/17/209000617.db2.gz QVMIPZDGNCEIQV-UHFFFAOYSA-N 1 2 362.424 4.373 50 0 FIAALO Cc1cc2cc(C(=O)N(C)Cc3[nH+]ccn3Cc3ccccc3)ccc2o1 ZINC000092077156 209016328 /nfs/dbraw/zinc/01/63/28/209016328.db2.gz IRSSYWWVMXUXCX-UHFFFAOYSA-N 1 2 359.429 4.258 50 0 FIAALO CCOc1cccc(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CCC3)C2)c1 ZINC000095355564 209025136 /nfs/dbraw/zinc/02/51/36/209025136.db2.gz XTISJDRCLCTVIN-IBGZPJMESA-N 1 2 367.493 4.102 50 0 FIAALO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ncc(-c3cccs3)o2)CC1 ZINC000095435052 209049323 /nfs/dbraw/zinc/04/93/23/209049323.db2.gz PDUPVMPOYISKSM-HNNXBMFYSA-N 1 2 371.481 4.421 50 0 FIAALO C[C@H]1CN(c2cccc(Cl)c2)C(=O)C[N@@H+]1Cc1cccc2ncccc12 ZINC000082109701 132195480 /nfs/dbraw/zinc/19/54/80/132195480.db2.gz XSSQQYVYNSDZOV-HNNXBMFYSA-N 1 2 365.864 4.126 50 0 FIAALO C[C@H]1CN(c2cccc(Cl)c2)C(=O)C[N@H+]1Cc1cccc2ncccc12 ZINC000082109701 132195482 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Clc1ccccc1N1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000057440522 136129415 /nfs/dbraw/zinc/12/94/15/136129415.db2.gz RZSFSRJZCALVFQ-UHFFFAOYSA-N 1 2 353.853 4.317 50 0 FIAALO O=C(Nc1ccc[nH+]c1NCCc1ccccc1)c1cccnc1Cl ZINC000020445598 263380653 /nfs/dbraw/zinc/38/06/53/263380653.db2.gz MBJOBQVXSVQJIW-UHFFFAOYSA-N 1 2 352.825 4.037 50 0 FIAALO O=C(c1cc(N2CCCCC2)ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426545401 263628980 /nfs/dbraw/zinc/62/89/80/263628980.db2.gz WGSYBPLWCZWUJY-HNNXBMFYSA-N 1 2 372.900 4.073 50 0 FIAALO CC(C)c1cc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)no1 ZINC000082109588 519832028 /nfs/dbraw/zinc/83/20/28/519832028.db2.gz XKYPXOVCSMUIDW-UHFFFAOYSA-N 1 2 366.465 4.378 50 0 FIAALO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c(C)o1 ZINC000082134166 526250080 /nfs/dbraw/zinc/25/00/80/526250080.db2.gz NLFZHEQOAPEGIB-IBGZPJMESA-N 1 2 363.461 4.161 50 0 FIAALO c1ccc(Oc2cccc(CN3CC[NH+](Cc4ccncc4)CC3)c2)cc1 ZINC000019789437 526487679 /nfs/dbraw/zinc/48/76/79/526487679.db2.gz 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ZINC000026812740 571008179 /nfs/dbraw/zinc/00/81/79/571008179.db2.gz UXPXIGUBKGYNGC-GFCCVEGCSA-N 1 2 359.882 4.409 50 0 FIAALO C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+](C)Cc1ccc(Cl)s1 ZINC000026812740 571008182 /nfs/dbraw/zinc/00/81/82/571008182.db2.gz UXPXIGUBKGYNGC-GFCCVEGCSA-N 1 2 359.882 4.409 50 0 FIAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H](OC(C)(C)C)C1 ZINC000225423936 571034458 /nfs/dbraw/zinc/03/44/58/571034458.db2.gz RVSKBEKFXUIITI-YPMHNXCESA-N 1 2 359.297 4.210 50 0 FIAALO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](OC(C)(C)C)C1 ZINC000225423936 571034459 /nfs/dbraw/zinc/03/44/59/571034459.db2.gz RVSKBEKFXUIITI-YPMHNXCESA-N 1 2 359.297 4.210 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccc(-c2ccccc2F)s1 ZINC000029021916 571035902 /nfs/dbraw/zinc/03/59/02/571035902.db2.gz OAHFHEOCAAYAQE-UHFFFAOYSA-N 1 2 364.405 4.387 50 0 FIAALO C[C@@H](c1nc2ccccc2s1)[NH+]1CCN(Cc2cccc(F)c2F)CC1 ZINC000029160356 571037426 /nfs/dbraw/zinc/03/74/26/571037426.db2.gz GDGBGGRDRLVZFP-AWEZNQCLSA-N 1 2 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/nfs/dbraw/zinc/11/72/50/571117250.db2.gz RFWXZMDOARIBCQ-HXUWFJFHSA-N 1 2 359.433 4.340 50 0 FIAALO c1c(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)onc1-c1cccnc1 ZINC000244795408 571117252 /nfs/dbraw/zinc/11/72/52/571117252.db2.gz RFWXZMDOARIBCQ-HXUWFJFHSA-N 1 2 359.433 4.340 50 0 FIAALO Fc1ccc(-c2n[nH]cc2C[NH+](Cc2cccnc2)Cc2cccnc2)cc1 ZINC000055212027 571117899 /nfs/dbraw/zinc/11/78/99/571117899.db2.gz OBSJAFPQVQICEX-UHFFFAOYSA-N 1 2 373.435 4.208 50 0 FIAALO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000058016711 571124437 /nfs/dbraw/zinc/12/44/37/571124437.db2.gz QJLKNVKWSBYEMB-UHFFFAOYSA-N 1 2 361.804 4.170 50 0 FIAALO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000058016711 571124441 /nfs/dbraw/zinc/12/44/41/571124441.db2.gz QJLKNVKWSBYEMB-UHFFFAOYSA-N 1 2 361.804 4.170 50 0 FIAALO Cc1oc(-c2ccccc2)nc1CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000058139803 571125703 /nfs/dbraw/zinc/12/57/03/571125703.db2.gz UWUUDKWAZRSFHO-UHFFFAOYSA-N 1 2 371.444 4.465 50 0 FIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1ccc(O)cc1 ZINC000000949022 571138839 /nfs/dbraw/zinc/13/88/39/571138839.db2.gz MACDZSZKJYYNCK-UHFFFAOYSA-N 1 2 352.390 4.259 50 0 FIAALO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1Br ZINC000064666826 571140945 /nfs/dbraw/zinc/14/09/45/571140945.db2.gz FGNWQTFZCOMEBI-CQSZACIVSA-N 1 2 351.244 4.091 50 0 FIAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1Br ZINC000064666826 571140947 /nfs/dbraw/zinc/14/09/47/571140947.db2.gz FGNWQTFZCOMEBI-CQSZACIVSA-N 1 2 351.244 4.091 50 0 FIAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@@H](C)c2ccncn2)n1 ZINC000065397081 571142906 /nfs/dbraw/zinc/14/29/06/571142906.db2.gz AGBKJDPWAAEWDF-SFHVURJKSA-N 1 2 372.476 4.005 50 0 FIAALO Cc1noc(C)c1C[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067491339 571146975 /nfs/dbraw/zinc/14/69/75/571146975.db2.gz OGNPJRYKOGBTGR-UHFFFAOYSA-N 1 2 364.445 4.367 50 0 FIAALO Cc1noc(C)c1C[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067491339 571146976 /nfs/dbraw/zinc/14/69/76/571146976.db2.gz OGNPJRYKOGBTGR-UHFFFAOYSA-N 1 2 364.445 4.367 50 0 FIAALO Cc1cccnc1C[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067690948 571148453 /nfs/dbraw/zinc/14/84/53/571148453.db2.gz UDRSZVFSMCQJGL-UHFFFAOYSA-N 1 2 360.457 4.466 50 0 FIAALO Cc1cccnc1C[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067690948 571148455 /nfs/dbraw/zinc/14/84/55/571148455.db2.gz UDRSZVFSMCQJGL-UHFFFAOYSA-N 1 2 360.457 4.466 50 0 FIAALO c1[nH]c2c([nH+]1)CCN(Cc1csc(-c3ccccc3)n1)[C@H]2c1ccccn1 ZINC000067724611 571148885 /nfs/dbraw/zinc/14/88/85/571148885.db2.gz YYLXZFOUOBNKNL-FQEVSTJZSA-N 1 2 373.485 4.076 50 0 FIAALO CC(C)(C)c1cc(Cn2c[nH+]c(-c3ccccc3)c2[C@@H]2CCOC2)n[nH]1 ZINC000067841041 571150075 /nfs/dbraw/zinc/15/00/75/571150075.db2.gz WHCFVAFXKGWDQY-MRXNPFEDSA-N 1 2 350.466 4.123 50 0 FIAALO O=S(=O)(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1ccccc1Cl ZINC000075106840 571155288 /nfs/dbraw/zinc/15/52/88/571155288.db2.gz ZAVPDJJGRFBLSS-UHFFFAOYSA-N 1 2 361.854 4.285 50 0 FIAALO COc1ccc2cc([C@H]3C[N@H+](Cc4cnn(C(C)C)c4)CCO3)ccc2c1 ZINC000071419506 571161334 /nfs/dbraw/zinc/16/13/34/571161334.db2.gz XQWMYCKKGMRQJH-JOCHJYFZSA-N 1 2 365.477 4.199 50 0 FIAALO COc1ccc2cc([C@H]3C[N@@H+](Cc4cnn(C(C)C)c4)CCO3)ccc2c1 ZINC000071419506 571161335 /nfs/dbraw/zinc/16/13/35/571161335.db2.gz XQWMYCKKGMRQJH-JOCHJYFZSA-N 1 2 365.477 4.199 50 0 FIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000575618888 571171239 /nfs/dbraw/zinc/17/12/39/571171239.db2.gz WZXFTWMFVNMVRH-MRXNPFEDSA-N 1 2 373.378 4.451 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000012579472 571185514 /nfs/dbraw/zinc/18/55/14/571185514.db2.gz XEBIAXVXTHZQSC-INIZCTEOSA-N 1 2 360.244 4.246 50 0 FIAALO CC(C)(C)c1ccc(C(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000064301441 571192489 /nfs/dbraw/zinc/19/24/89/571192489.db2.gz JRKHWTKPKJETBL-UHFFFAOYSA-N 1 2 365.408 4.130 50 0 FIAALO CCC(CC)C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)[nH+]2)cc1 ZINC000072437058 571196591 /nfs/dbraw/zinc/19/65/91/571196591.db2.gz BOUHTJYBBLAMDE-UHFFFAOYSA-N 1 2 364.453 4.089 50 0 FIAALO CC1=CC(C)(C)N2C(=O)[C@]3([NH2+]CCc4c5ccccc5[nH]c43)c3cccc1c32 ZINC000019461948 571208003 /nfs/dbraw/zinc/20/80/03/571208003.db2.gz CFVDATSREJFCFC-DEOSSOPVSA-N 1 2 369.468 4.099 50 0 biogenic FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnc(-c4ccco4)nc3)nc2c1 ZINC000077407293 571210522 /nfs/dbraw/zinc/21/05/22/571210522.db2.gz PPXZLUCWVIRHSG-GOSISDBHSA-N 1 2 359.433 4.258 50 0 FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnc(-c4ccco4)nc3)nc2c1 ZINC000077407293 571210524 /nfs/dbraw/zinc/21/05/24/571210524.db2.gz PPXZLUCWVIRHSG-GOSISDBHSA-N 1 2 359.433 4.258 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cnc(-c4ccco4)nc3)[nH]c2c1 ZINC000077407293 571210526 /nfs/dbraw/zinc/21/05/26/571210526.db2.gz PPXZLUCWVIRHSG-GOSISDBHSA-N 1 2 359.433 4.258 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cnc(-c4ccco4)nc3)[nH]c2c1 ZINC000077407293 571210528 /nfs/dbraw/zinc/21/05/28/571210528.db2.gz PPXZLUCWVIRHSG-GOSISDBHSA-N 1 2 359.433 4.258 50 0 FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3cnc(-c4ccccn4)nc3)nc2c1 ZINC000077427236 571211528 /nfs/dbraw/zinc/21/15/28/571211528.db2.gz TULZVUUUOKCXOQ-HXUWFJFHSA-N 1 2 370.460 4.060 50 0 FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3cnc(-c4ccccn4)nc3)nc2c1 ZINC000077427236 571211529 /nfs/dbraw/zinc/21/15/29/571211529.db2.gz TULZVUUUOKCXOQ-HXUWFJFHSA-N 1 2 370.460 4.060 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3cnc(-c4ccccn4)nc3)[nH]c2c1 ZINC000077427236 571211532 /nfs/dbraw/zinc/21/15/32/571211532.db2.gz TULZVUUUOKCXOQ-HXUWFJFHSA-N 1 2 370.460 4.060 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3cnc(-c4ccccn4)nc3)[nH]c2c1 ZINC000077427236 571211534 /nfs/dbraw/zinc/21/15/34/571211534.db2.gz TULZVUUUOKCXOQ-HXUWFJFHSA-N 1 2 370.460 4.060 50 0 FIAALO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2SCCc3sccc32)[nH+]1 ZINC000089568357 571212271 /nfs/dbraw/zinc/21/22/71/571212271.db2.gz UPHDPCHCWLADIK-INIZCTEOSA-N 1 2 355.488 4.416 50 0 FIAALO CCc1ccc2nc(C)cc(C(=O)N(C)Cc3c[nH+]c4ccccn34)c2c1 ZINC000077470410 571212631 /nfs/dbraw/zinc/21/26/31/571212631.db2.gz WRESWSRZEYDSAH-UHFFFAOYSA-N 1 2 358.445 4.026 50 0 FIAALO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000082087819 571227937 /nfs/dbraw/zinc/22/79/37/571227937.db2.gz OIUOYPATTSPMAM-QGZVFWFLSA-N 1 2 363.436 4.246 50 0 FIAALO C[C@@H](c1c(F)cccc1F)[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000084647285 571232764 /nfs/dbraw/zinc/23/27/64/571232764.db2.gz DIGUGAAKZCPAHJ-ZDUSSCGKSA-N 1 2 357.404 4.006 50 0 FIAALO CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000091476507 571240094 /nfs/dbraw/zinc/24/00/94/571240094.db2.gz XXBMMOIXTSXZIR-CYBMUJFWSA-N 1 2 366.387 4.333 50 0 FIAALO C[C@@H](NC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1[nH]cc[nH+]1 ZINC000091657245 571242054 /nfs/dbraw/zinc/24/20/54/571242054.db2.gz NPXUVUSNQZKOQJ-SECBINFHSA-N 1 2 366.368 4.043 50 0 FIAALO O=c1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]c2ccccc12 ZINC000091738513 571243149 /nfs/dbraw/zinc/24/31/49/571243149.db2.gz LLBSXSZUSBFMQL-FQEVSTJZSA-N 1 2 358.445 4.132 50 0 FIAALO O=c1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]c2ccccc12 ZINC000091738513 571243150 /nfs/dbraw/zinc/24/31/50/571243150.db2.gz LLBSXSZUSBFMQL-FQEVSTJZSA-N 1 2 358.445 4.132 50 0 FIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2ccc(F)cc2)cc1 ZINC000065171129 571255538 /nfs/dbraw/zinc/25/55/38/571255538.db2.gz MLJLQYVKMOYMBM-UHFFFAOYSA-N 1 2 364.420 4.443 50 0 FIAALO COc1cc(C)ccc1CN[C@H](c1[nH+]ccn1C)c1ccccc1Cl ZINC000170072137 571261694 /nfs/dbraw/zinc/26/16/94/571261694.db2.gz PQZLUNNATSAASL-IBGZPJMESA-N 1 2 355.869 4.270 50 0 FIAALO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 ZINC000007266280 571263603 /nfs/dbraw/zinc/26/36/03/571263603.db2.gz RNQYWXPCABXUJP-MRXNPFEDSA-N 1 2 370.493 4.286 50 0 FIAALO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(OC)c1 ZINC000007266280 571263605 /nfs/dbraw/zinc/26/36/05/571263605.db2.gz RNQYWXPCABXUJP-MRXNPFEDSA-N 1 2 370.493 4.286 50 0 FIAALO COCC[N@H+](Cc1cccnc1)Cc1ccc(Cl)cc1Br ZINC000170607209 571267364 /nfs/dbraw/zinc/26/73/64/571267364.db2.gz JYNNWOIAVZCJBQ-UHFFFAOYSA-N 1 2 369.690 4.146 50 0 FIAALO COCC[N@@H+](Cc1cccnc1)Cc1ccc(Cl)cc1Br ZINC000170607209 571267365 /nfs/dbraw/zinc/26/73/65/571267365.db2.gz JYNNWOIAVZCJBQ-UHFFFAOYSA-N 1 2 369.690 4.146 50 0 FIAALO FC(F)(F)Cn1ccnc1CNc1[nH+]c2ccccc2n1-c1ccccc1 ZINC000170607175 571267421 /nfs/dbraw/zinc/26/74/21/571267421.db2.gz JOKQGSDVXMOIBK-UHFFFAOYSA-N 1 2 371.366 4.396 50 0 FIAALO COc1ccc2cc(CNC(=O)c3cc(C)ccc3-n3cc[nH+]c3)ccc2c1 ZINC000170626676 571269450 /nfs/dbraw/zinc/26/94/50/571269450.db2.gz RBDJVFYPRWEWGG-UHFFFAOYSA-N 1 2 371.440 4.273 50 0 FIAALO CCc1cc(N(C)[C@@H](C)Cc2ccccc2OC)nc(-c2ccncc2)[nH+]1 ZINC000076061420 571273981 /nfs/dbraw/zinc/27/39/81/571273981.db2.gz ZOUJPGSUAKEJJN-INIZCTEOSA-N 1 2 362.477 4.177 50 0 FIAALO COc1ccc(C[N@H+](C)Cn2ncn([C@H](C)c3ccccc3)c2=S)cc1 ZINC000054424983 571276841 /nfs/dbraw/zinc/27/68/41/571276841.db2.gz RJFYKHIPZDIIQA-MRXNPFEDSA-N 1 2 368.506 4.121 50 0 FIAALO 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/nfs/dbraw/zinc/10/67/11/525106711.db2.gz PSVZWKGHQPUOLI-QAPCUYQASA-N 1 2 365.502 4.311 50 0 FIAALO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000020119293 525973404 /nfs/dbraw/zinc/97/34/04/525973404.db2.gz JNUFDIFNSSOOHF-INIZCTEOSA-N 1 2 357.523 4.350 50 0 FIAALO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cc(C(C)C)n[nH]3)C2)cc1 ZINC000020119293 525973412 /nfs/dbraw/zinc/97/34/12/525973412.db2.gz JNUFDIFNSSOOHF-INIZCTEOSA-N 1 2 357.523 4.350 50 0 FIAALO O=C(OCc1ccccc1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091321069 526427510 /nfs/dbraw/zinc/42/75/10/526427510.db2.gz WVXLDEFSBNREHV-UHFFFAOYSA-N 1 2 353.466 4.199 50 0 FIAALO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2c(C)nn(-c3ccc(F)cc3)c2C)n1 ZINC000215360661 568065892 /nfs/dbraw/zinc/06/58/92/568065892.db2.gz NNXUQSQALHBDRL-IBGZPJMESA-N 1 2 369.444 4.047 50 0 FIAALO Cc1noc([C@@H]2CCCC[N@H+]2Cc2c(C)nn(-c3ccc(F)cc3)c2C)n1 ZINC000215360661 568065893 /nfs/dbraw/zinc/06/58/93/568065893.db2.gz NNXUQSQALHBDRL-IBGZPJMESA-N 1 2 369.444 4.047 50 0 FIAALO C[C@H]([NH2+][C@@H](C(=O)N(C)C)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000024808529 568130681 /nfs/dbraw/zinc/13/06/81/568130681.db2.gz HRWVRJRPXOSOQI-YVEFUNNKSA-N 1 2 351.277 4.474 50 0 FIAALO Br/C(=C\c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022586733 568268897 /nfs/dbraw/zinc/26/88/97/568268897.db2.gz CQUFTOFGPLNOAF-HKWRFOASSA-N 1 2 371.322 4.240 50 0 FIAALO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c(C)n1 ZINC000219738386 568301246 /nfs/dbraw/zinc/30/12/46/568301246.db2.gz BWAQIAXYHSKDSJ-GOSISDBHSA-N 1 2 357.889 4.468 50 0 FIAALO CCCn1cc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c(C)n1 ZINC000219738386 568301247 /nfs/dbraw/zinc/30/12/47/568301247.db2.gz BWAQIAXYHSKDSJ-GOSISDBHSA-N 1 2 357.889 4.468 50 0 FIAALO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000220520725 568345924 /nfs/dbraw/zinc/34/59/24/568345924.db2.gz YOFVFMMSGZRETJ-QGZVFWFLSA-N 1 2 355.873 4.014 50 0 FIAALO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cn1 ZINC000220520725 568345925 /nfs/dbraw/zinc/34/59/25/568345925.db2.gz YOFVFMMSGZRETJ-QGZVFWFLSA-N 1 2 355.873 4.014 50 0 FIAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000003912279 570572287 /nfs/dbraw/zinc/57/22/87/570572287.db2.gz BXNLCPFQLKXRGP-UHFFFAOYSA-N 1 2 359.433 4.053 50 0 FIAALO Cc1csc([C@@H]2CCCC[N@H+]2[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 ZINC000247935024 570592488 /nfs/dbraw/zinc/59/24/88/570592488.db2.gz DOQVCZDEWCSHSF-NUJGCVRESA-N 1 2 357.523 4.244 50 0 FIAALO Cc1csc([C@@H]2CCCC[N@@H+]2[C@H](C)C(=O)N[C@H](C)c2ccccc2)n1 ZINC000247935024 570592492 /nfs/dbraw/zinc/59/24/92/570592492.db2.gz DOQVCZDEWCSHSF-NUJGCVRESA-N 1 2 357.523 4.244 50 0 FIAALO Cc1scc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1-c1ccccc1 ZINC000004749966 570605146 /nfs/dbraw/zinc/60/51/46/570605146.db2.gz SQVILATXOMKLQC-UHFFFAOYSA-N 1 2 363.486 4.081 50 0 FIAALO CC[C@@H](Cn1cc[nH+]c1)NC(=O)N(Cc1ccsc1)C1CCCCC1 ZINC000426504657 570613962 /nfs/dbraw/zinc/61/39/62/570613962.db2.gz VUQVKBXGRYJSOK-KRWDZBQOSA-N 1 2 360.527 4.268 50 0 FIAALO O=C(NC[C@H](c1ccco1)[N@@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000022907058 570698183 /nfs/dbraw/zinc/69/81/83/570698183.db2.gz RNBKOSDJJBUYNE-HXUWFJFHSA-N 1 2 352.478 4.076 50 0 FIAALO O=C(NC[C@H](c1ccco1)[N@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000022907058 570698185 /nfs/dbraw/zinc/69/81/85/570698185.db2.gz RNBKOSDJJBUYNE-HXUWFJFHSA-N 1 2 352.478 4.076 50 0 FIAALO COc1ccc([C@@H]2CCC[N@@H+]2Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000016359756 570705486 /nfs/dbraw/zinc/70/54/86/570705486.db2.gz HHTIVEGPLITEOL-HNNXBMFYSA-N 1 2 372.519 4.472 50 0 FIAALO COc1ccc([C@@H]2CCC[N@H+]2Cn2nc(-c3cccs3)[nH]c2=S)cc1 ZINC000016359756 570705487 /nfs/dbraw/zinc/70/54/87/570705487.db2.gz HHTIVEGPLITEOL-HNNXBMFYSA-N 1 2 372.519 4.472 50 0 FIAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012710102 570757954 /nfs/dbraw/zinc/75/79/54/570757954.db2.gz LWIXABVAWCSUGX-SFHVURJKSA-N 1 2 369.436 4.132 50 0 FIAALO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012710102 570757956 /nfs/dbraw/zinc/75/79/56/570757956.db2.gz LWIXABVAWCSUGX-SFHVURJKSA-N 1 2 369.436 4.132 50 0 FIAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000012790474 570761864 /nfs/dbraw/zinc/76/18/64/570761864.db2.gz DXKGYQFSPCOQSM-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000012790474 570761867 /nfs/dbraw/zinc/76/18/67/570761867.db2.gz DXKGYQFSPCOQSM-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO CSc1ccc(C[N@H+](C)Cn2nc(-c3ccccc3)[nH]c2=S)cc1 ZINC000012971870 570768623 /nfs/dbraw/zinc/76/86/23/570768623.db2.gz ATMMRPLQOLZYKV-UHFFFAOYSA-N 1 2 356.520 4.419 50 0 FIAALO CSc1ccc(C[N@@H+](C)Cn2nc(-c3ccccc3)[nH]c2=S)cc1 ZINC000012971870 570768629 /nfs/dbraw/zinc/76/86/29/570768629.db2.gz ATMMRPLQOLZYKV-UHFFFAOYSA-N 1 2 356.520 4.419 50 0 FIAALO O=C(C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000012998101 570771646 /nfs/dbraw/zinc/77/16/46/570771646.db2.gz SUBRNKMTPGTDBM-INIZCTEOSA-N 1 2 364.898 4.021 50 0 FIAALO O=C(C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1 ZINC000012998101 570771649 /nfs/dbraw/zinc/77/16/49/570771649.db2.gz SUBRNKMTPGTDBM-INIZCTEOSA-N 1 2 364.898 4.021 50 0 FIAALO c1ccc(-c2nc3ccccc3c(N3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000014246994 570815795 /nfs/dbraw/zinc/81/57/95/570815795.db2.gz YSVZNBKMHTXJJE-UHFFFAOYSA-N 1 2 367.456 4.018 50 0 FIAALO Cc1cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C2CC2)ccc1Cl ZINC000015860791 570846787 /nfs/dbraw/zinc/84/67/87/570846787.db2.gz NCAKIVUEPIGARW-OAHLLOKOSA-N 1 2 356.853 4.315 50 0 FIAALO COc1ccc(-c2noc(C[N@H+](C)[C@H](C)c3ccc(F)cc3)n2)cc1OC ZINC000016431397 570855905 /nfs/dbraw/zinc/85/59/05/570855905.db2.gz IONIQGRTECOGDK-CYBMUJFWSA-N 1 2 371.412 4.086 50 0 FIAALO COc1ccc(-c2noc(C[N@@H+](C)[C@H](C)c3ccc(F)cc3)n2)cc1OC ZINC000016431397 570855907 /nfs/dbraw/zinc/85/59/07/570855907.db2.gz IONIQGRTECOGDK-CYBMUJFWSA-N 1 2 371.412 4.086 50 0 FIAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1csc(-c2ccc(C)o2)n1 ZINC000105778760 570874568 /nfs/dbraw/zinc/87/45/68/570874568.db2.gz PYGKCWRXBUSJAP-KBMXLJTQSA-N 1 2 360.479 4.018 50 0 FIAALO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1csc(-c2ccc(C)o2)n1 ZINC000105778760 570874570 /nfs/dbraw/zinc/87/45/70/570874570.db2.gz PYGKCWRXBUSJAP-KBMXLJTQSA-N 1 2 360.479 4.018 50 0 FIAALO CN1CC[NH+]([C@@H]2Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 ZINC000019802234 570903320 /nfs/dbraw/zinc/90/33/20/570903320.db2.gz GPRZDPJGSSBXME-QGZVFWFLSA-N 1 2 362.901 4.475 50 0 FIAALO O=C(c1cccc2ccccc21)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019841839 570904421 /nfs/dbraw/zinc/90/44/21/570904421.db2.gz ADYNUIIJEYEAEG-UHFFFAOYSA-N 1 2 364.876 4.451 50 0 FIAALO O=c1nc(-c2ccccc2)[nH]c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000019926519 570906933 /nfs/dbraw/zinc/90/69/33/570906933.db2.gz XLDCJWXVCZUSKW-UHFFFAOYSA-N 1 2 373.481 4.210 50 0 FIAALO O=c1nc(-c2ccccc2)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000019926519 570906936 /nfs/dbraw/zinc/90/69/36/570906936.db2.gz XLDCJWXVCZUSKW-UHFFFAOYSA-N 1 2 373.481 4.210 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)CCc3ccccc3F)n2)CC1 ZINC000022291718 570942693 /nfs/dbraw/zinc/94/26/93/570942693.db2.gz CKOZWSPDGKVBDB-UHFFFAOYSA-N 1 2 361.486 4.085 50 0 FIAALO c1cn(Cc2c[nH+]cn2C2CCCC2)nc1-c1cccc(-c2cnccn2)c1 ZINC000023311934 570961441 /nfs/dbraw/zinc/96/14/41/570961441.db2.gz CJDHVYNELYCDDD-UHFFFAOYSA-N 1 2 370.460 4.367 50 0 FIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1cc(C)no1)CC2 ZINC000023873082 570968466 /nfs/dbraw/zinc/96/84/66/570968466.db2.gz HVXDBOBODYUSCU-JOCHJYFZSA-N 1 2 364.445 4.148 50 0 FIAALO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc(C)no1)CC2 ZINC000023873082 570968467 /nfs/dbraw/zinc/96/84/67/570968467.db2.gz HVXDBOBODYUSCU-JOCHJYFZSA-N 1 2 364.445 4.148 50 0 FIAALO CC1CCN(C(=O)c2ccc(SCc3cn4ccccc4[nH+]3)cc2)CC1 ZINC000024262062 570973747 /nfs/dbraw/zinc/97/37/47/570973747.db2.gz CCEZDVNAYYKLJO-UHFFFAOYSA-N 1 2 365.502 4.499 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1Nc1ccccc1 ZINC000024901035 570985729 /nfs/dbraw/zinc/98/57/29/570985729.db2.gz HRIVXRCWEQLDJB-UHFFFAOYSA-N 1 2 355.401 4.263 50 0 FIAALO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)c2cccnc12 ZINC000025181106 570992298 /nfs/dbraw/zinc/99/22/98/570992298.db2.gz SKLXOFMKPXUROK-UHFFFAOYSA-N 1 2 362.820 4.385 50 0 FIAALO COc1ccc2nc(C)c(C(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cc2c1 ZINC000025176227 570992344 /nfs/dbraw/zinc/99/23/44/570992344.db2.gz VKBJWUQTMCDKDO-UHFFFAOYSA-N 1 2 372.428 4.049 50 0 FIAALO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1nc(N)nc(Nc2ccccc2)n1 ZINC000028792459 571034758 /nfs/dbraw/zinc/03/47/58/571034758.db2.gz QSBCTIZMIITUAE-CHWSQXEVSA-N 1 2 368.872 4.263 50 0 FIAALO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2cnc(C(F)(F)F)s2)CC1 ZINC000225585456 571047460 /nfs/dbraw/zinc/04/74/60/571047460.db2.gz ZLABTBLUUVJZAS-NSHDSACASA-N 1 2 361.458 4.102 50 0 FIAALO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000072303160 571059056 /nfs/dbraw/zinc/05/90/56/571059056.db2.gz DMRAFDRYOXIURS-MRXNPFEDSA-N 1 2 374.271 4.441 50 0 FIAALO COc1c(C)c[nH+]c(CN(C)C(=O)c2csc(-c3ccsc3)n2)c1C 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50 0 FIAALO CCOc1cccc(C[N@H+](CCO)Cc2nc3ccccc3n2C(C)C)c1 ZINC000055327301 571119520 /nfs/dbraw/zinc/11/95/20/571119520.db2.gz MLJFLZMLVGDEHI-UHFFFAOYSA-N 1 2 367.493 4.010 50 0 FIAALO CCOc1cccc(C[N@@H+](CCO)Cc2nc3ccccc3n2C(C)C)c1 ZINC000055327301 571119522 /nfs/dbraw/zinc/11/95/22/571119522.db2.gz MLJFLZMLVGDEHI-UHFFFAOYSA-N 1 2 367.493 4.010 50 0 FIAALO CCc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000026878383 571127864 /nfs/dbraw/zinc/12/78/64/571127864.db2.gz WBSXFVDXJPDURS-KOSHJBKYSA-N 1 2 373.500 4.200 50 0 FIAALO Cn1c2ccccc2[nH+]c1CCc1cccc(NC(=O)c2ccncc2)c1 ZINC000015863687 571139236 /nfs/dbraw/zinc/13/92/36/571139236.db2.gz SWWCAMLYYXCFOQ-UHFFFAOYSA-N 1 2 356.429 4.006 50 0 FIAALO C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012888057 571142044 /nfs/dbraw/zinc/14/20/44/571142044.db2.gz LCYMNDBHGARVPK-GOSISDBHSA-N 1 2 363.288 4.445 50 0 FIAALO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000012888057 571142047 /nfs/dbraw/zinc/14/20/47/571142047.db2.gz LCYMNDBHGARVPK-GOSISDBHSA-N 1 2 363.288 4.445 50 0 FIAALO c1[nH]cc(CCn2cnc(-c3ccccc3)c2COCc2ccccc2)[nH+]1 ZINC000065370851 571142264 /nfs/dbraw/zinc/14/22/64/571142264.db2.gz NZIVCLLTJIZRDZ-UHFFFAOYSA-N 1 2 358.445 4.233 50 0 FIAALO c1[nH]c(CCn2cnc(-c3ccccc3)c2COCc2ccccc2)c[nH+]1 ZINC000065370851 571142266 /nfs/dbraw/zinc/14/22/66/571142266.db2.gz NZIVCLLTJIZRDZ-UHFFFAOYSA-N 1 2 358.445 4.233 50 0 FIAALO Cc1[nH]cc(-c2c(-c3ccccc3)ncn2C[C@@H]2COc3ccccc3O2)[nH+]1 ZINC000065383496 571142368 /nfs/dbraw/zinc/14/23/68/571142368.db2.gz CGIPPPZCMVCREB-QGZVFWFLSA-N 1 2 372.428 4.089 50 0 FIAALO CCCCc1c(-c2ccccc2)[nH+]cn1CCc1nc(-c2ccncc2)n[nH]1 ZINC000065397858 571142874 /nfs/dbraw/zinc/14/28/74/571142874.db2.gz ANLVYLOMZGWNPO-UHFFFAOYSA-N 1 2 372.476 4.316 50 0 FIAALO CCn1ccc(-c2c(-c3ccccc3)ncn2[C@@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000065531933 571144842 /nfs/dbraw/zinc/14/48/42/571144842.db2.gz HKWHUPCAKOPXOC-HXUWFJFHSA-N 1 2 372.476 4.166 50 0 FIAALO C[C@@H](c1ccon1)[N@H+](C)Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000067605334 571147359 /nfs/dbraw/zinc/14/73/59/571147359.db2.gz LMAXCHCEHVNWIO-ZDUSSCGKSA-N 1 2 371.387 4.398 50 0 FIAALO C[C@@H](c1ccon1)[N@@H+](C)Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000067605334 571147363 /nfs/dbraw/zinc/14/73/63/571147363.db2.gz LMAXCHCEHVNWIO-ZDUSSCGKSA-N 1 2 371.387 4.398 50 0 FIAALO COCc1cc(Cn2c[nH+]c(-c3ccccc3)c2Cc2ccccc2)n[nH]1 ZINC000067688615 571148098 /nfs/dbraw/zinc/14/80/98/571148098.db2.gz ROTMPVSIHJSNGU-UHFFFAOYSA-N 1 2 358.445 4.059 50 0 FIAALO CCCC[C@@H]1CCCN1C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067755373 571149313 /nfs/dbraw/zinc/14/93/13/571149313.db2.gz NSWFRLUNAMEMQT-GOSISDBHSA-N 1 2 355.482 4.101 50 0 FIAALO CCCC[C@@H]1CCCN1C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067755373 571149315 /nfs/dbraw/zinc/14/93/15/571149315.db2.gz NSWFRLUNAMEMQT-GOSISDBHSA-N 1 2 355.482 4.101 50 0 FIAALO CCc1[nH]c(C)c(-c2c(-c3ccccc3)ncn2CCc2ccncc2)[nH+]1 ZINC000067856104 571150373 /nfs/dbraw/zinc/15/03/73/571150373.db2.gz OKWBMXZTPAJTKQ-UHFFFAOYSA-N 1 2 357.461 4.449 50 0 FIAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)c3ccncc3)cc12 ZINC000033084713 571154636 /nfs/dbraw/zinc/15/46/36/571154636.db2.gz PZJHXENBWGLXBP-UHFFFAOYSA-N 1 2 360.461 4.427 50 0 FIAALO O[C@@]1(c2ccccc2)C=C(C(F)(F)F)[NH2+]N1c1nc2ccccc2s1 ZINC000004713217 571168056 /nfs/dbraw/zinc/16/80/56/571168056.db2.gz CDAJTCLMDQNIGR-MRXNPFEDSA-N 1 2 363.364 4.270 50 0 FIAALO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000035448423 571170461 /nfs/dbraw/zinc/17/04/61/571170461.db2.gz MXNGVSYSZYFQIJ-OAHLLOKOSA-N 1 2 367.880 4.215 50 0 FIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2cc(F)ccc2F)C1 ZINC000575617908 571170542 /nfs/dbraw/zinc/17/05/42/571170542.db2.gz SJUBTPHGKHICMH-RCMYXZNBSA-N 1 2 367.399 4.110 50 0 FIAALO Cc1[nH+]c2ccccc2n1[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000575617932 571170818 /nfs/dbraw/zinc/17/08/18/571170818.db2.gz SMVQOJDHTNPELI-GOSISDBHSA-N 1 2 372.472 4.232 50 0 FIAALO Fc1ccc2[nH]c([C@@H]3CCC[N@@H+]3Cc3cc(-c4ccccn4)no3)nc2c1 ZINC000072145295 571172992 /nfs/dbraw/zinc/17/29/92/571172992.db2.gz MIRBHCQAYRCSGE-IBGZPJMESA-N 1 2 363.396 4.089 50 0 FIAALO Fc1ccc2[nH]c([C@@H]3CCC[N@H+]3Cc3cc(-c4ccccn4)no3)nc2c1 ZINC000072145295 571172993 /nfs/dbraw/zinc/17/29/93/571172993.db2.gz MIRBHCQAYRCSGE-IBGZPJMESA-N 1 2 363.396 4.089 50 0 FIAALO C[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CCCCC1 ZINC000012562681 571183089 /nfs/dbraw/zinc/18/30/89/571183089.db2.gz DTCNHWPRFVWMIN-UHFFFAOYSA-N 1 2 373.447 4.026 50 0 FIAALO C[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1N1CCCCC1 ZINC000012562681 571183091 /nfs/dbraw/zinc/18/30/91/571183091.db2.gz DTCNHWPRFVWMIN-UHFFFAOYSA-N 1 2 373.447 4.026 50 0 FIAALO COc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccco2)c2ccccc2)cc1Cl ZINC000003438885 571183694 /nfs/dbraw/zinc/18/36/94/571183694.db2.gz UYJDWMVGNGUFCO-IBGZPJMESA-N 1 2 370.836 4.411 50 0 FIAALO CCOc1ncccc1C(=O)Nc1ccc2c(c1)[nH+]c(C)n2-c1ccccc1 ZINC000012599650 571189145 /nfs/dbraw/zinc/18/91/45/571189145.db2.gz LKUPMJUOUSKTSK-UHFFFAOYSA-N 1 2 372.428 4.380 50 0 FIAALO CCCCCc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc2C1 ZINC000012604330 571190379 /nfs/dbraw/zinc/19/03/79/571190379.db2.gz KMTVFMFKTZXOEY-UHFFFAOYSA-N 1 2 361.489 4.354 50 0 FIAALO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)sc1-c1ccccc1 ZINC000072411179 571191925 /nfs/dbraw/zinc/19/19/25/571191925.db2.gz DTFBBTVITZQLDT-UHFFFAOYSA-N 1 2 351.475 4.466 50 0 FIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000072429170 571195210 /nfs/dbraw/zinc/19/52/10/571195210.db2.gz VREQEJJEBZMHFU-UHFFFAOYSA-N 1 2 364.371 4.034 50 0 FIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)Cc1cnn(C)c1 ZINC000072429170 571195212 /nfs/dbraw/zinc/19/52/12/571195212.db2.gz VREQEJJEBZMHFU-UHFFFAOYSA-N 1 2 364.371 4.034 50 0 FIAALO CCCOc1c(Cl)cccc1NC(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000299767818 571195272 /nfs/dbraw/zinc/19/52/72/571195272.db2.gz VKDPIOXZWYFHIE-HNNXBMFYSA-N 1 2 362.861 4.135 50 0 FIAALO COc1ccc2cc(C[N@H+](C)Cc3ncc[nH]3)c(-c3cccs3)nc2c1 ZINC000072463876 571198015 /nfs/dbraw/zinc/19/80/15/571198015.db2.gz XTRNXLHGMCJPSX-UHFFFAOYSA-N 1 2 364.474 4.327 50 0 FIAALO COc1ccc2cc(C[N@@H+](C)Cc3ncc[nH]3)c(-c3cccs3)nc2c1 ZINC000072463876 571198017 /nfs/dbraw/zinc/19/80/17/571198017.db2.gz XTRNXLHGMCJPSX-UHFFFAOYSA-N 1 2 364.474 4.327 50 0 FIAALO c1nc2c([nH]1)[C@H](c1ccc(-c3ccccn3)cc1)[N@H+](Cc1ccccn1)CC2 ZINC000072479064 571199476 /nfs/dbraw/zinc/19/94/76/571199476.db2.gz FEVLHNUPHZDXRB-QHCPKHFHSA-N 1 2 367.456 4.014 50 0 FIAALO c1nc2c([nH]1)[C@H](c1ccc(-c3ccccn3)cc1)[N@@H+](Cc1ccccn1)CC2 ZINC000072479064 571199479 /nfs/dbraw/zinc/19/94/79/571199479.db2.gz FEVLHNUPHZDXRB-QHCPKHFHSA-N 1 2 367.456 4.014 50 0 FIAALO COc1ccccc1-c1ncc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)s1 ZINC000299787726 571199825 /nfs/dbraw/zinc/19/98/25/571199825.db2.gz XGRACMUPYCXQMW-INIZCTEOSA-N 1 2 370.478 4.237 50 0 FIAALO COc1ccccc1-c1ncc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)s1 ZINC000299787726 571199827 /nfs/dbraw/zinc/19/98/27/571199827.db2.gz XGRACMUPYCXQMW-INIZCTEOSA-N 1 2 370.478 4.237 50 0 FIAALO CC(C)[C@H]1C=CCN1C(=O)c1cccc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000534582864 571204892 /nfs/dbraw/zinc/20/48/92/571204892.db2.gz ITXFVNJKWXVXBY-JOCHJYFZSA-N 1 2 372.472 4.030 50 0 FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3Cc3nc4ccccc4nc3C)nc2c1 ZINC000077287633 571206076 /nfs/dbraw/zinc/20/60/76/571206076.db2.gz GKZQAMVSFTVELR-OAQYLSRUSA-N 1 2 357.461 4.460 50 0 FIAALO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3Cc3nc4ccccc4nc3C)nc2c1 ZINC000077287633 571206079 /nfs/dbraw/zinc/20/60/79/571206079.db2.gz GKZQAMVSFTVELR-OAQYLSRUSA-N 1 2 357.461 4.460 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@@H+]3Cc3nc4ccccc4nc3C)[nH]c2c1 ZINC000077287633 571206082 /nfs/dbraw/zinc/20/60/82/571206082.db2.gz GKZQAMVSFTVELR-OAQYLSRUSA-N 1 2 357.461 4.460 50 0 FIAALO Cc1ccc2nc([C@H]3CCC[N@H+]3Cc3nc4ccccc4nc3C)[nH]c2c1 ZINC000077287633 571206085 /nfs/dbraw/zinc/20/60/85/571206085.db2.gz GKZQAMVSFTVELR-OAQYLSRUSA-N 1 2 357.461 4.460 50 0 FIAALO CCCCCN1c2ccccc2[C@@]2([NH2+]CCc3c4cc(C)ccc4[nH]c32)C1=O ZINC000020064214 571207988 /nfs/dbraw/zinc/20/79/88/571207988.db2.gz WBWIQHMHVDZSTI-DEOSSOPVSA-N 1 2 373.500 4.402 50 0 biogenic FIAALO COc1cccc([C@@H]2CCCCN2C(=O)c2cccc(-c3[nH]cc[nH+]3)c2)c1 ZINC000077420921 571210756 /nfs/dbraw/zinc/21/07/56/571210756.db2.gz BVJFHXMARHUZIT-FQEVSTJZSA-N 1 2 361.445 4.453 50 0 FIAALO Clc1ccccc1/C=C\c1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000098041129 571224841 /nfs/dbraw/zinc/22/48/41/571224841.db2.gz YBDTYGBFVZQETI-KTKRTIGZSA-N 1 2 373.913 4.386 50 0 FIAALO CCn1cc(C[N@H+](C)Cc2nc(-c3cccc(F)c3F)oc2C)c(C)n1 ZINC000426485564 571227832 /nfs/dbraw/zinc/22/78/32/571227832.db2.gz IWQKGDLZPLVIKL-UHFFFAOYSA-N 1 2 360.408 4.085 50 0 FIAALO CCn1cc(C[N@@H+](C)Cc2nc(-c3cccc(F)c3F)oc2C)c(C)n1 ZINC000426485564 571227833 /nfs/dbraw/zinc/22/78/33/571227833.db2.gz IWQKGDLZPLVIKL-UHFFFAOYSA-N 1 2 360.408 4.085 50 0 FIAALO Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000084067775 571232483 /nfs/dbraw/zinc/23/24/83/571232483.db2.gz UNVBHCCUWYSSAJ-ZDUSSCGKSA-N 1 2 372.465 4.177 50 0 FIAALO Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000084067775 571232485 /nfs/dbraw/zinc/23/24/85/571232485.db2.gz UNVBHCCUWYSSAJ-ZDUSSCGKSA-N 1 2 372.465 4.177 50 0 FIAALO Cn1c[nH+]cc1-c1cccc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)c1 ZINC000426597259 571232862 /nfs/dbraw/zinc/23/28/62/571232862.db2.gz PWEZNSGPIXHGAG-OAQYLSRUSA-N 1 2 374.488 4.110 50 0 FIAALO Cn1cc[nH+]c1CNC(=O)c1cccc(-c2ccc(OC(C)(C)C)cc2)c1 ZINC000426701372 571235709 /nfs/dbraw/zinc/23/57/09/571235709.db2.gz GZJPIQXMCRRVQD-UHFFFAOYSA-N 1 2 363.461 4.194 50 0 FIAALO COc1cccc(Nc2nnc(SCc3cn4ccccc4[nH+]3)s2)c1 ZINC000006648610 571239158 /nfs/dbraw/zinc/23/91/58/571239158.db2.gz NBAIZZIDJBIHMH-UHFFFAOYSA-N 1 2 369.475 4.230 50 0 FIAALO CC(C)N(Cc1[nH+]ccn1Cc1ccccc1Cl)C(=O)NC(C)(C)C ZINC000006696781 571242260 /nfs/dbraw/zinc/24/22/60/571242260.db2.gz SFFIJHCFNRZBEU-UHFFFAOYSA-N 1 2 362.905 4.303 50 0 FIAALO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091746057 571243109 /nfs/dbraw/zinc/24/31/09/571243109.db2.gz WVDKGCWVHBUSKI-LEWJYISDSA-N 1 2 363.505 4.193 50 0 FIAALO COc1c(C)c[nH+]c(CNC(=O)c2cc3c(ccc4ccccc34)[nH]2)c1C ZINC000065164621 571255674 /nfs/dbraw/zinc/25/56/74/571255674.db2.gz RAPUKCIXKVAPFX-UHFFFAOYSA-N 1 2 359.429 4.272 50 0 FIAALO COc1cc(Br)ccc1C[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000170606864 571267285 /nfs/dbraw/zinc/26/72/85/571267285.db2.gz WBLSYDWNGUHZNB-CXAGYDPISA-N 1 2 361.283 4.436 50 0 FIAALO COc1cc(Br)ccc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000170606864 571267286 /nfs/dbraw/zinc/26/72/86/571267286.db2.gz WBLSYDWNGUHZNB-CXAGYDPISA-N 1 2 361.283 4.436 50 0 FIAALO CCOC(=O)c1csc([C@@H]2CCCN2c2cc[nH+]c(C3CCCC3)n2)n1 ZINC000170611262 571267675 /nfs/dbraw/zinc/26/76/75/571267675.db2.gz WOYDXLLJAJCQKP-HNNXBMFYSA-N 1 2 372.494 4.109 50 0 FIAALO COCc1nc2scc(-c3ccccc3)c2c(N[C@@H](C)c2[nH]cc[nH+]2)n1 ZINC000170616212 571268402 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COc1ccc(OC)c(-c2nc(C[N@H+](C)Cc3ccncc3C)c(C)o2)c1 ZINC000071721521 571163736 /nfs/dbraw/zinc/16/37/36/571163736.db2.gz KKSZLDSSHREZKX-UHFFFAOYSA-N 1 2 367.449 4.003 50 0 FIAALO COc1ccc(OC)c(-c2nc(C[N@@H+](C)Cc3ccncc3C)c(C)o2)c1 ZINC000071721521 571163738 /nfs/dbraw/zinc/16/37/38/571163738.db2.gz KKSZLDSSHREZKX-UHFFFAOYSA-N 1 2 367.449 4.003 50 0 FIAALO O[C@]1(c2ccccc2)C=C(C(F)(F)F)[NH2+]N1c1nc2ccccc2s1 ZINC000004713218 571167998 /nfs/dbraw/zinc/16/79/98/571167998.db2.gz CDAJTCLMDQNIGR-INIZCTEOSA-N 1 2 363.364 4.270 50 0 FIAALO CC(=O)N1CCC[C@@H](Cn2cc[nH+]c2-c2cccc(Cl)c2Cl)C1 ZINC000072168510 571177038 /nfs/dbraw/zinc/17/70/38/571177038.db2.gz ZDYWFPJELDVICY-CYBMUJFWSA-N 1 2 352.265 4.115 50 0 FIAALO CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000122565039 571180054 /nfs/dbraw/zinc/18/00/54/571180054.db2.gz TUHDFJJQDUGVRH-UHFFFAOYSA-N 1 2 368.412 4.369 50 0 FIAALO O=C(c1cccc(-c2ccco2)c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072426424 571194538 /nfs/dbraw/zinc/19/45/38/571194538.db2.gz GECNUWJIPWVUCU-UHFFFAOYSA-N 1 2 364.420 4.044 50 0 FIAALO CCCOc1c(Cl)cccc1NC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000299767819 571195195 /nfs/dbraw/zinc/19/51/95/571195195.db2.gz VKDPIOXZWYFHIE-OAHLLOKOSA-N 1 2 362.861 4.135 50 0 FIAALO CCc1[nH+]c2cc(NC(=O)N(C)Cc3cc(C4CC4)on3)ccc2n1CC ZINC000299775826 571196701 /nfs/dbraw/zinc/19/67/01/571196701.db2.gz KGIRYYQHNMUKMV-UHFFFAOYSA-N 1 2 367.453 4.148 50 0 FIAALO c1nc2c([nH]1)[C@@H](c1ccc(-c3ccccn3)cc1)[N@H+](Cc1ccccn1)CC2 ZINC000072479065 571199415 /nfs/dbraw/zinc/19/94/15/571199415.db2.gz FEVLHNUPHZDXRB-HSZRJFAPSA-N 1 2 367.456 4.014 50 0 FIAALO c1nc2c([nH]1)[C@@H](c1ccc(-c3ccccn3)cc1)[N@@H+](Cc1ccccn1)CC2 ZINC000072479065 571199418 /nfs/dbraw/zinc/19/94/18/571199418.db2.gz FEVLHNUPHZDXRB-HSZRJFAPSA-N 1 2 367.456 4.014 50 0 FIAALO CCCn1c2ccc(C(=O)N3CCC3)cc2[nH+]c1NCc1cccc(C)c1 ZINC000077541703 571215129 /nfs/dbraw/zinc/21/51/29/571215129.db2.gz UXWVCZJNVDOMEX-UHFFFAOYSA-N 1 2 362.477 4.213 50 0 FIAALO O=C(Nc1ccc2c(c1)[nH+]c1n2CCCCC1)c1cc2ccccc2oc1=O ZINC000006651336 571239329 /nfs/dbraw/zinc/23/93/29/571239329.db2.gz WBUIUOFMGHSIAH-UHFFFAOYSA-N 1 2 373.412 4.121 50 0 FIAALO C[NH+](C)c1ccc(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1 ZINC000169775688 571253421 /nfs/dbraw/zinc/25/34/21/571253421.db2.gz CWWVZATZUPDDPK-UHFFFAOYSA-N 1 2 358.405 4.003 50 0 FIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2cccc(F)c2)cc1 ZINC000065171146 571255554 /nfs/dbraw/zinc/25/55/54/571255554.db2.gz RRVRKHGGXUXTBF-UHFFFAOYSA-N 1 2 364.420 4.443 50 0 FIAALO OCCCc1[nH+]c2ccccc2n1C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000065474430 571263768 /nfs/dbraw/zinc/26/37/68/571263768.db2.gz DAMZVJKBAWWXIT-QGZVFWFLSA-N 1 2 365.260 4.002 50 0 FIAALO Cc1ccn2cc(CNC(=O)c3ccc(-c4ccc(Cl)cc4)o3)[nH+]c2c1 ZINC000065533319 571264472 /nfs/dbraw/zinc/26/44/72/571264472.db2.gz JXPFREOCJHWGKE-UHFFFAOYSA-N 1 2 365.820 4.486 50 0 FIAALO O=C(Nc1nnc(C2CCCCC2)s1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000065585366 571265060 /nfs/dbraw/zinc/26/50/60/571265060.db2.gz QDDLCHMFNIBFAA-CYBMUJFWSA-N 1 2 360.487 4.068 50 0 FIAALO O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000065593348 571265118 /nfs/dbraw/zinc/26/51/18/571265118.db2.gz DFMFSCMYKGCDKH-XYOKQWHBSA-N 1 2 369.896 4.445 50 0 FIAALO Cc1cc(-n2cc[nH+]c2)ccc1CSc1nccn1Cc1ccccn1 ZINC000170613017 571267839 /nfs/dbraw/zinc/26/78/39/571267839.db2.gz QHQBWMGSAHATNB-UHFFFAOYSA-N 1 2 361.474 4.113 50 0 FIAALO CC(C)(C)[C@@H]1CCC2=C(C#N)C(=[NH2+])[C@](C#N)(c3ccccc3)[C@H](C#N)[C@@H]2C1 ZINC000013881983 571308085 /nfs/dbraw/zinc/30/80/85/571308085.db2.gz YOIGSSDLAWGEHW-VPTAFFCTSA-N 1 2 356.473 4.336 50 0 FIAALO O=C(C[N@@H+]1CCc2sccc2C1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000079103475 571326983 /nfs/dbraw/zinc/32/69/83/571326983.db2.gz MIDSRSDROCVQOD-SIKLNZKXSA-N 1 2 366.530 4.034 50 0 FIAALO O=C(C[N@H+]1CCc2sccc2C1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000079103475 571326984 /nfs/dbraw/zinc/32/69/84/571326984.db2.gz MIDSRSDROCVQOD-SIKLNZKXSA-N 1 2 366.530 4.034 50 0 FIAALO O=C(Nc1ccc2[nH]c(C3CC3)[nH+]c2c1)c1ccccc1Br ZINC000079483367 571327554 /nfs/dbraw/zinc/32/75/54/571327554.db2.gz SGSQYIIFYHKVGW-UHFFFAOYSA-N 1 2 356.223 4.455 50 0 FIAALO Cc1ccc(Br)cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000124802955 571328291 /nfs/dbraw/zinc/32/82/91/571328291.db2.gz RNJROTWOARLRDU-UHFFFAOYSA-N 1 2 356.223 4.196 50 0 FIAALO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000020193320 571328630 /nfs/dbraw/zinc/32/86/30/571328630.db2.gz ZJNRPIARPYQOCU-KBPBESRZSA-N 1 2 358.507 4.226 50 0 FIAALO C[C@H]1C[NH+](Cc2c(-c3ccccc3)nc3ccc(Cl)cn32)C[C@H](C)O1 ZINC000020386136 571329206 /nfs/dbraw/zinc/32/92/06/571329206.db2.gz OJLRJNGOQDIRQI-GJZGRUSLSA-N 1 2 355.869 4.264 50 0 FIAALO Fc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)cc1 ZINC000021639730 571335289 /nfs/dbraw/zinc/33/52/89/571335289.db2.gz JVKOQGZXHRLFKK-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO Fc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)cc1 ZINC000021639730 571335290 /nfs/dbraw/zinc/33/52/90/571335290.db2.gz JVKOQGZXHRLFKK-UHFFFAOYSA-N 1 2 352.388 4.057 50 0 FIAALO COc1ccccc1-n1cc(C[N@@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000670440244 571348717 /nfs/dbraw/zinc/34/87/17/571348717.db2.gz JAYDJSFBLSIOOZ-KRWDZBQOSA-N 1 2 354.479 4.065 50 0 FIAALO COc1ccccc1-n1cc(C[N@H+]2CCCC[C@H]2c2nccs2)cn1 ZINC000670440244 571348718 /nfs/dbraw/zinc/34/87/18/571348718.db2.gz JAYDJSFBLSIOOZ-KRWDZBQOSA-N 1 2 354.479 4.065 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1F ZINC000008216460 571359877 /nfs/dbraw/zinc/35/98/77/571359877.db2.gz ZOIGYXGSZBHHOR-QFIPXVFZSA-N 1 2 373.431 4.161 50 0 FIAALO CCc1[nH+]ccn1-c1cc(C)nc2c(-c3ccccc3Cl)c(C)nn21 ZINC000005207695 1087606426 /nfs/dbraw/zinc/60/64/26/1087606426.db2.gz ROXIUHRCDJLXTH-UHFFFAOYSA-N 1 2 351.841 4.415 50 0 FIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000020418695 1089667258 /nfs/dbraw/zinc/66/72/58/1089667258.db2.gz QQKXAAOGKGTBQF-AWEZNQCLSA-N 1 2 360.548 4.487 50 0 FIAALO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000020418695 1089667270 /nfs/dbraw/zinc/66/72/70/1089667270.db2.gz QQKXAAOGKGTBQF-AWEZNQCLSA-N 1 2 360.548 4.487 50 0 FIAALO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Br)c1)CC2 ZINC000001227158 210224119 /nfs/dbraw/zinc/22/41/19/210224119.db2.gz IULUUBIAAIDKFE-UHFFFAOYSA-N 1 2 362.267 4.025 50 0 biogenic FIAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Br)c1)CC2 ZINC000001227158 210224123 /nfs/dbraw/zinc/22/41/23/210224123.db2.gz IULUUBIAAIDKFE-UHFFFAOYSA-N 1 2 362.267 4.025 50 0 biogenic FIAALO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1F ZINC000013320233 220063924 /nfs/dbraw/zinc/06/39/24/220063924.db2.gz ZAPZKPCJLISTLM-UHFFFAOYSA-N 1 2 361.848 4.137 50 0 FIAALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc(Br)cc1C ZINC000022542087 211354130 /nfs/dbraw/zinc/35/41/30/211354130.db2.gz UIDGPTUGDVWANP-UHFFFAOYSA-N 1 2 372.266 4.308 50 0 FIAALO c1ccc(OCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020117907 211268628 /nfs/dbraw/zinc/26/86/28/211268628.db2.gz QJXHHRVPXGGQDG-UHFFFAOYSA-N 1 2 372.512 4.473 50 0 FIAALO CCOC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1F)c1ccccc1Cl ZINC000019848571 211259128 /nfs/dbraw/zinc/25/91/28/211259128.db2.gz ORMQZUZKRONMQI-QGZVFWFLSA-N 1 2 353.796 4.402 50 0 FIAALO Fc1ccccc1-c1n[nH]c2c1C[N@H+](Cc1nc3c(s1)CCCC3)CC2 ZINC000019594986 211239789 /nfs/dbraw/zinc/23/97/89/211239789.db2.gz PGQXRMNFPFCSTA-UHFFFAOYSA-N 1 2 368.481 4.109 50 0 FIAALO Fc1ccccc1-c1n[nH]c2c1C[N@@H+](Cc1nc3c(s1)CCCC3)CC2 ZINC000019594986 211239792 /nfs/dbraw/zinc/23/97/92/211239792.db2.gz PGQXRMNFPFCSTA-UHFFFAOYSA-N 1 2 368.481 4.109 50 0 FIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000019683057 211245548 /nfs/dbraw/zinc/24/55/48/211245548.db2.gz FQWSIVFKNNLFJA-UHFFFAOYSA-N 1 2 372.468 4.438 50 0 FIAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CC(C)C)cc2)[nH+]1 ZINC000017013011 211175549 /nfs/dbraw/zinc/17/55/49/211175549.db2.gz NPUPEXCWJPVHMU-UHFFFAOYSA-N 1 2 353.470 4.113 50 0 FIAALO C[N@@H+]1CCc2nc3sc4c([nH]cnc4=S)c3c(-c3ccccc3)c2C1 ZINC000017155243 211181952 /nfs/dbraw/zinc/18/19/52/211181952.db2.gz LPQMGZHXPKSYJN-UHFFFAOYSA-N 1 2 364.499 4.183 50 0 FIAALO C[N@H+]1CCc2nc3sc4c([nH]cnc4=S)c3c(-c3ccccc3)c2C1 ZINC000017155243 211181957 /nfs/dbraw/zinc/18/19/57/211181957.db2.gz LPQMGZHXPKSYJN-UHFFFAOYSA-N 1 2 364.499 4.183 50 0 FIAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@@H+]1CCOc2ccccc2C1 ZINC000015069221 211116047 /nfs/dbraw/zinc/11/60/47/211116047.db2.gz AQRNRCMURJSNSP-UHFFFAOYSA-N 1 2 356.372 4.323 50 0 FIAALO Cc1oc(-c2ccc(F)cc2F)nc1C[N@H+]1CCOc2ccccc2C1 ZINC000015069221 211116052 /nfs/dbraw/zinc/11/60/52/211116052.db2.gz AQRNRCMURJSNSP-UHFFFAOYSA-N 1 2 356.372 4.323 50 0 FIAALO Cc1cc(Nc2ccc([NH+](C)C)cc2)n2nc(-c3ccccc3C)nc2n1 ZINC000014610489 211097161 /nfs/dbraw/zinc/09/71/61/211097161.db2.gz DBTWZZILEQTYTC-UHFFFAOYSA-N 1 2 358.449 4.218 50 0 FIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCc4ccccc43)c2C1 ZINC000014184102 211082642 /nfs/dbraw/zinc/08/26/42/211082642.db2.gz TVGUHRRXUJCBRM-OAQYLSRUSA-N 1 2 371.484 4.030 50 0 FIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCc4ccccc43)c2C1 ZINC000014184102 211082645 /nfs/dbraw/zinc/08/26/45/211082645.db2.gz TVGUHRRXUJCBRM-OAQYLSRUSA-N 1 2 371.484 4.030 50 0 FIAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000012971564 211012387 /nfs/dbraw/zinc/01/23/87/211012387.db2.gz HEGRYSJXKXWPKE-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000012971564 211012389 /nfs/dbraw/zinc/01/23/89/211012389.db2.gz HEGRYSJXKXWPKE-GOSISDBHSA-N 1 2 362.832 4.263 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1F ZINC000010260905 210866396 /nfs/dbraw/zinc/86/63/96/210866396.db2.gz RJOSIYZWVFWYLC-INIZCTEOSA-N 1 2 358.804 4.124 50 0 FIAALO CNC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 ZINC000001068694 210311587 /nfs/dbraw/zinc/31/15/87/210311587.db2.gz VAVDUXIQBFEGGI-FQEVSTJZSA-N 1 2 360.461 4.195 50 0 FIAALO c1ccc(Cn2c3ccccc3[nH+]c2NCc2ccc3c(c2)OCO3)cc1 ZINC000000972654 210297448 /nfs/dbraw/zinc/29/74/48/210297448.db2.gz BZCUFKHRUHTPHD-UHFFFAOYSA-N 1 2 357.413 4.425 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853869 220399923 /nfs/dbraw/zinc/39/99/23/220399923.db2.gz KTKLQWDPJBNKQB-JKIFEVAISA-N 1 2 370.522 4.126 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccccc1)[N@@H+]1C[C@H](C)C[C@H](C)C1)S2 ZINC000022853869 220399926 /nfs/dbraw/zinc/39/99/26/220399926.db2.gz KTKLQWDPJBNKQB-JKIFEVAISA-N 1 2 370.522 4.126 50 0 FIAALO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3nc(C(C)C)no3)c2cc1C ZINC000065453929 221220063 /nfs/dbraw/zinc/22/00/63/221220063.db2.gz YRRKWUXUCLRMKY-QGZVFWFLSA-N 1 2 367.449 4.253 50 0 FIAALO Cc1cc2oc(=O)cc(C[N@@H+]3CCC[C@@H]3c3nc(C(C)C)no3)c2cc1C ZINC000065453929 221220066 /nfs/dbraw/zinc/22/00/66/221220066.db2.gz YRRKWUXUCLRMKY-QGZVFWFLSA-N 1 2 367.449 4.253 50 0 FIAALO COc1cccc(-c2[nH]cnc2-c2ccccc2)c1OCCCn1cc[nH+]c1 ZINC000065398300 221211718 /nfs/dbraw/zinc/21/17/18/221211718.db2.gz RRSVLNLXXUHESB-UHFFFAOYSA-N 1 2 374.444 4.418 50 0 FIAALO COc1cccc(-c2nc[nH]c2-c2ccccc2)c1OCCCn1cc[nH+]c1 ZINC000065398300 221211720 /nfs/dbraw/zinc/21/17/20/221211720.db2.gz RRSVLNLXXUHESB-UHFFFAOYSA-N 1 2 374.444 4.418 50 0 FIAALO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc2c(s1)CCCCC2 ZINC000065488032 221223841 /nfs/dbraw/zinc/22/38/41/221223841.db2.gz VDCLGXAGMPSLAG-UHFFFAOYSA-N 1 2 351.475 4.133 50 0 FIAALO c1[nH+]c(-c2ccccc2)c([C@H]2CCOC2)n1Cc1noc(C2CCCC2)n1 ZINC000065531549 221230827 /nfs/dbraw/zinc/23/08/27/221230827.db2.gz URJOGMWBOFPBKA-KRWDZBQOSA-N 1 2 364.449 4.143 50 0 FIAALO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000065547888 221232560 /nfs/dbraw/zinc/23/25/60/221232560.db2.gz BSHIYUCLZAXQHS-LLVKDONJSA-N 1 2 350.249 4.184 50 0 FIAALO C[C@H](c1ccon1)[N@H+](C)Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000067605337 221262172 /nfs/dbraw/zinc/26/21/72/221262172.db2.gz LMAXCHCEHVNWIO-CYBMUJFWSA-N 1 2 371.387 4.398 50 0 FIAALO C[C@H](c1ccon1)[N@@H+](C)Cc1cccc(C(=O)Nc2ccc(F)cc2F)c1 ZINC000067605337 221262174 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ZINC000089884787 526788912 /nfs/dbraw/zinc/78/89/12/526788912.db2.gz OULVGBKMPOHDNU-UHFFFAOYSA-N 1 2 367.537 4.295 50 0 FIAALO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020495047 527272890 /nfs/dbraw/zinc/27/28/90/527272890.db2.gz LWKZJXKWMOXIGR-UHFFFAOYSA-N 1 2 369.896 4.178 50 0 FIAALO CCCc1c[nH+]c(C)nc1N1CCC[C@H](C(=O)c2cc(F)ccc2F)C1 ZINC000071748728 535436021 /nfs/dbraw/zinc/43/60/21/535436021.db2.gz BHDOEIXPGONWKT-HNNXBMFYSA-N 1 2 359.420 4.115 50 0 FIAALO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004821129 560200176 /nfs/dbraw/zinc/20/01/76/560200176.db2.gz PWRIGBRKEPMNCH-UHFFFAOYSA-N 1 2 368.786 4.356 50 0 biogenic,in-vitro FIAALO O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004821129 560200177 /nfs/dbraw/zinc/20/01/77/560200177.db2.gz PWRIGBRKEPMNCH-UHFFFAOYSA-N 1 2 368.786 4.356 50 0 biogenic,in-vitro FIAALO Cc1c2ccccc2oc1C[NH+]1CCN([C@H]2CCc3ccccc3C2)CC1 ZINC000215524444 568075129 /nfs/dbraw/zinc/07/51/29/568075129.db2.gz 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COc1cccc2ccc(C[N@H+]3CCc4nc(-c5ccccc5)[nH]c4C3)nc21 ZINC000095528936 570469452 /nfs/dbraw/zinc/46/94/52/570469452.db2.gz XUDXWNHRBVNMLR-UHFFFAOYSA-N 1 2 370.456 4.192 50 0 FIAALO CCCCCC(=O)N[C@@H]1CCN(c2[nH+]c3ccccc3n2C2CCCC2)C1 ZINC000034907218 570560103 /nfs/dbraw/zinc/56/01/03/570560103.db2.gz VFZKDHLFCJNEHG-QGZVFWFLSA-N 1 2 368.525 4.427 50 0 FIAALO Cc1cc(N2CCCC2)[nH+]c2ccc(NC(=S)NCc3ccco3)cc12 ZINC000004969774 570568942 /nfs/dbraw/zinc/56/89/42/570568942.db2.gz UUTKCWHTKQGAEH-UHFFFAOYSA-N 1 2 366.490 4.223 50 0 FIAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1 ZINC000004735098 570603629 /nfs/dbraw/zinc/60/36/29/570603629.db2.gz VEZNIGFZBHOYSN-UHFFFAOYSA-N 1 2 359.385 4.488 50 0 aggregator FIAALO Cc1ccc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)c(C)[nH+]1 ZINC000426490053 570607626 /nfs/dbraw/zinc/60/76/26/570607626.db2.gz CJDYBTCRQLAMPU-FQEVSTJZSA-N 1 2 352.478 4.397 50 0 FIAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000006415699 570646981 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372.468 4.441 50 0 FIAALO CCCCOc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000299785593 210028105 /nfs/dbraw/zinc/02/81/05/210028105.db2.gz KSDSOACMRVEVHW-UHFFFAOYSA-N 1 2 369.465 4.336 50 0 FIAALO CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1NCc1ccccc1 ZINC000000949038 219345819 /nfs/dbraw/zinc/34/58/19/219345819.db2.gz ZPGNLZJITSLBES-UHFFFAOYSA-N 1 2 350.418 4.422 50 0 FIAALO Cc1ccc(NC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000013324861 220064030 /nfs/dbraw/zinc/06/40/30/220064030.db2.gz XMWXCCBVLDRBJT-UHFFFAOYSA-N 1 2 359.857 4.125 50 0 FIAALO Cc1ccccc1NC(=O)CSc1[nH+][nH]cc2c3cc(F)ccc3nc1-2 ZINC000032752888 211558704 /nfs/dbraw/zinc/55/87/04/211558704.db2.gz QMCIVCCEJITUAT-UHFFFAOYSA-N 1 2 366.421 4.289 50 0 FIAALO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000023129178 211377825 /nfs/dbraw/zinc/37/78/25/211377825.db2.gz OUHWKJFJBKALSI-OAHLLOKOSA-N 1 2 353.853 4.311 50 0 FIAALO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000023129178 211377829 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4.185 50 0 FIAALO Cn1nc(C[N@H+]2CCc3n[nH]c(C4CCCC4)c3C2)c2c1cccc2Cl ZINC000023367544 211387754 /nfs/dbraw/zinc/38/77/54/211387754.db2.gz NBXKSNKPYXSVJJ-UHFFFAOYSA-N 1 2 369.900 4.166 50 0 FIAALO Cn1nc(C[N@@H+]2CCc3[nH]nc(C4CCCC4)c3C2)c2c1cccc2Cl ZINC000023367544 211387746 /nfs/dbraw/zinc/38/77/46/211387746.db2.gz NBXKSNKPYXSVJJ-UHFFFAOYSA-N 1 2 369.900 4.166 50 0 FIAALO Cn1nc(C[N@H+]2CCc3[nH]nc(C4CCCC4)c3C2)c2c1cccc2Cl ZINC000023367544 211387749 /nfs/dbraw/zinc/38/77/49/211387749.db2.gz NBXKSNKPYXSVJJ-UHFFFAOYSA-N 1 2 369.900 4.166 50 0 FIAALO Cn1nc(C[N@@H+]2CCc3n[nH]c(C4CCCC4)c3C2)c2c1cccc2Cl ZINC000023367544 211387752 /nfs/dbraw/zinc/38/77/52/211387752.db2.gz NBXKSNKPYXSVJJ-UHFFFAOYSA-N 1 2 369.900 4.166 50 0 FIAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000022892781 211366996 /nfs/dbraw/zinc/36/69/96/211366996.db2.gz BNKIFPBANUDSAQ-UHFFFAOYSA-N 1 2 363.436 4.329 50 0 FIAALO CC(C)CCNc1nc2c(cnn2C)c(NCc2ccc(Cl)cc2)[nH+]1 ZINC000021929293 211330713 /nfs/dbraw/zinc/33/07/13/211330713.db2.gz ABBXPRURBBEPSC-UHFFFAOYSA-N 1 2 358.877 4.087 50 0 FIAALO CC(C)C[C@@H](NC(=O)CSc1[nH+]cc2ccccn21)c1ccccc1 ZINC000022099729 211337528 /nfs/dbraw/zinc/33/75/28/211337528.db2.gz KTWZDCJKIRWVSF-GOSISDBHSA-N 1 2 353.491 4.330 50 0 FIAALO CC(C)CNC(=O)Nc1ccc(CCc2[nH+]c3ccccc3n2C)cc1 ZINC000021357801 211313231 /nfs/dbraw/zinc/31/32/31/211313231.db2.gz MUQAIOXBQWTLPG-UHFFFAOYSA-N 1 2 350.466 4.136 50 0 FIAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000020776788 211295299 /nfs/dbraw/zinc/29/52/99/211295299.db2.gz HNSXSTLBBUZEBH-CYBMUJFWSA-N 1 2 373.503 4.209 50 0 FIAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1c1ccc(C(N)=O)s1 ZINC000020776788 211295304 /nfs/dbraw/zinc/29/53/04/211295304.db2.gz HNSXSTLBBUZEBH-CYBMUJFWSA-N 1 2 373.503 4.209 50 0 FIAALO CCn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=[NH2+] ZINC000019952488 211263853 /nfs/dbraw/zinc/26/38/53/211263853.db2.gz CTXUFJCEJBOONW-UHFFFAOYSA-N 1 2 350.249 4.328 50 0 FIAALO CSc1nc2sc3c(c2c(NCc2ccccc2)n1)CC[N@@H+](C)C3 ZINC000020436166 211278265 /nfs/dbraw/zinc/27/82/65/211278265.db2.gz HVPTYPCHZLMTBD-UHFFFAOYSA-N 1 2 356.520 4.013 50 0 FIAALO CSc1nc2sc3c(c2c(NCc2ccccc2)n1)CC[N@H+](C)C3 ZINC000020436166 211278270 /nfs/dbraw/zinc/27/82/70/211278270.db2.gz HVPTYPCHZLMTBD-UHFFFAOYSA-N 1 2 356.520 4.013 50 0 FIAALO Clc1cccc(-c2[nH]nc3c2C[N@H+](Cc2cccc4c2OCO4)CC3)c1 ZINC000019720763 211251101 /nfs/dbraw/zinc/25/11/01/211251101.db2.gz MDNZVPVOBAQIQI-UHFFFAOYSA-N 1 2 367.836 4.017 50 0 FIAALO Clc1cccc(-c2[nH]nc3c2C[N@@H+](Cc2cccc4c2OCO4)CC3)c1 ZINC000019720763 211251103 /nfs/dbraw/zinc/25/11/03/211251103.db2.gz MDNZVPVOBAQIQI-UHFFFAOYSA-N 1 2 367.836 4.017 50 0 FIAALO Nc1c(-c2nnnn2-c2ccc3ccccc3c2)c[nH+]c2cc(Cl)ccc12 ZINC000019691656 211244754 /nfs/dbraw/zinc/24/47/54/211244754.db2.gz NRYVMGIJRBLPTO-UHFFFAOYSA-N 1 2 372.819 4.266 50 0 FIAALO C[C@@H](c1cccs1)[N@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000016434806 211161553 /nfs/dbraw/zinc/16/15/53/211161553.db2.gz 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211149140 /nfs/dbraw/zinc/14/91/40/211149140.db2.gz UFIJZALCIFPDDY-MRXNPFEDSA-N 1 2 360.454 4.161 50 0 FIAALO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c(OC)c1OC ZINC000015866885 211149142 /nfs/dbraw/zinc/14/91/42/211149142.db2.gz UFIJZALCIFPDDY-MRXNPFEDSA-N 1 2 360.454 4.161 50 0 FIAALO Cc1ccc2[nH]c(CCc3cccc(NC(=O)c4ccncc4)c3)[nH+]c2c1 ZINC000015863582 211148310 /nfs/dbraw/zinc/14/83/10/211148310.db2.gz DHWVQPIRNGSSHS-UHFFFAOYSA-N 1 2 356.429 4.304 50 0 FIAALO Cc1ccc2[nH+]c(CCc3cccc(NC(=O)c4ccncc4)c3)[nH]c2c1 ZINC000015863582 211148314 /nfs/dbraw/zinc/14/83/14/211148314.db2.gz DHWVQPIRNGSSHS-UHFFFAOYSA-N 1 2 356.429 4.304 50 0 FIAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000014249531 211089689 /nfs/dbraw/zinc/08/96/89/211089689.db2.gz OQWWKWHFQLSLBT-INIZCTEOSA-N 1 2 373.453 4.359 50 0 FIAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc(COc2ccc(F)cc2)no1 ZINC000014249531 211089691 /nfs/dbraw/zinc/08/96/91/211089691.db2.gz OQWWKWHFQLSLBT-INIZCTEOSA-N 1 2 373.453 4.359 50 0 FIAALO C[C@H]1CCc2c(sc3ncnc(NCCc4cn5ccccc5[nH+]4)c32)C1 ZINC000014094095 211072376 /nfs/dbraw/zinc/07/23/76/211072376.db2.gz DINAKOBVPKDXJP-ZDUSSCGKSA-N 1 2 363.490 4.118 50 0 FIAALO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2nc3ccccc3s2)c(C)c1 ZINC000013013607 211021421 /nfs/dbraw/zinc/02/14/21/211021421.db2.gz QGCGURLEMJFRNS-HNNXBMFYSA-N 1 2 353.491 4.372 50 0 FIAALO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2nc3ccccc3s2)c(C)c1 ZINC000013013607 211021424 /nfs/dbraw/zinc/02/14/24/211021424.db2.gz QGCGURLEMJFRNS-HNNXBMFYSA-N 1 2 353.491 4.372 50 0 FIAALO Cc1cc(C)c(Cn2cc[nH+]c2CN(CC(C)C)C(=O)C2CC2)c(C)c1 ZINC000006724082 210691828 /nfs/dbraw/zinc/69/18/28/210691828.db2.gz KQYOTGXUIOZDRD-UHFFFAOYSA-N 1 2 353.510 4.251 50 0 FIAALO O=C(C1CC1)N(Cc1[nH+]ccn1Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000006690181 210688566 /nfs/dbraw/zinc/68/85/66/210688566.db2.gz WRJKADBYVMMXQW-UHFFFAOYSA-N 1 2 364.276 4.139 50 0 FIAALO Cc1ccc(-n2ncc3c2nc[nH+]c3SCc2nc3ccccc3[nH]2)cc1 ZINC000002454158 210399236 /nfs/dbraw/zinc/39/92/36/210399236.db2.gz OMQCGUGZZCTJHP-UHFFFAOYSA-N 1 2 372.457 4.293 50 0 FIAALO C[C@@H]1CCc2c(sc3ncnc(NCCc4[nH]c5ccccc5[nH+]4)c23)C1 ZINC000000957823 210295770 /nfs/dbraw/zinc/29/57/70/210295770.db2.gz ZWSOBVYOJCVQKE-GFCCVEGCSA-N 1 2 363.490 4.347 50 0 FIAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(C(=O)OC)cc1 ZINC000000939531 210292752 /nfs/dbraw/zinc/29/27/52/210292752.db2.gz NNRSAQGWAPWRSM-UHFFFAOYSA-N 1 2 364.401 4.250 50 0 FIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000057697148 221091399 /nfs/dbraw/zinc/09/13/99/221091399.db2.gz UYBHBLFITVQDJB-UHFFFAOYSA-N 1 2 366.436 4.491 50 0 FIAALO CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000057697148 221091402 /nfs/dbraw/zinc/09/14/02/221091402.db2.gz UYBHBLFITVQDJB-UHFFFAOYSA-N 1 2 366.436 4.491 50 0 FIAALO COc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C(C)C)n2)CC1 ZINC000058010755 221096549 /nfs/dbraw/zinc/09/65/49/221096549.db2.gz ZKWOOBBLGNUICG-UHFFFAOYSA-N 1 2 373.522 4.126 50 0 FIAALO COc1ccc(-c2[nH+]c(C)cc(C)c2CNC(=O)c2ccccc2F)cc1 ZINC000065171127 221174187 /nfs/dbraw/zinc/17/41/87/221174187.db2.gz GEPMRXHBHRBZMX-UHFFFAOYSA-N 1 2 364.420 4.443 50 0 FIAALO COc1ccc(C[N@@H+]2CCCn3nc(-c4ccccc4)cc3C2)c(F)c1 ZINC000065270467 221191010 /nfs/dbraw/zinc/19/10/10/221191010.db2.gz WHBMHOGYBWTNGW-UHFFFAOYSA-N 1 2 351.425 4.104 50 0 FIAALO COc1ccc(C[N@H+]2CCCn3nc(-c4ccccc4)cc3C2)c(F)c1 ZINC000065270467 221191013 /nfs/dbraw/zinc/19/10/13/221191013.db2.gz WHBMHOGYBWTNGW-UHFFFAOYSA-N 1 2 351.425 4.104 50 0 FIAALO Cc1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1cnc2ccccc2n1 ZINC000065371949 221204511 /nfs/dbraw/zinc/20/45/11/221204511.db2.gz MSSGPAHVVGSRCQ-UHFFFAOYSA-N 1 2 362.477 4.132 50 0 FIAALO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000065371949 221204513 /nfs/dbraw/zinc/20/45/13/221204513.db2.gz MSSGPAHVVGSRCQ-UHFFFAOYSA-N 1 2 362.477 4.132 50 0 FIAALO Cc1ccccc1-c1noc(C[NH2+]Cc2cc(F)ccc2C(F)(F)F)n1 ZINC000065384080 221207419 /nfs/dbraw/zinc/20/74/19/221207419.db2.gz ZGOAJHRWGDHMMA-UHFFFAOYSA-N 1 2 365.330 4.493 50 0 FIAALO Cc1ccc(-c2nc(NCc3cccnc3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065388093 221209590 /nfs/dbraw/zinc/20/95/90/221209590.db2.gz LAHDVHKBPIIOIZ-UHFFFAOYSA-N 1 2 368.444 4.103 50 0 FIAALO Cc1cc(C)n(CCc2c(-c3ccccc3)[nH+]cn2[C@H](C)Cn2cccn2)n1 ZINC000065469379 221223095 /nfs/dbraw/zinc/22/30/95/221223095.db2.gz NIWPQZYUFAHTCW-LJQANCHMSA-N 1 2 374.492 4.064 50 0 FIAALO CCCCc1ccc([C@@H]2CC(=O)NCc3[nH+]c4ccc(C)cn4c32)s1 ZINC000065508661 221228624 /nfs/dbraw/zinc/22/86/24/221228624.db2.gz SWXREGQTEYAQLN-HNNXBMFYSA-N 1 2 353.491 4.199 50 0 FIAALO CCn1nc(C)c(Cn2c[nH+]c(-c3ccccc3)c2CCSC)c1C ZINC000065525534 221229399 /nfs/dbraw/zinc/22/93/99/221229399.db2.gz YYTPOTVOTIAUOY-UHFFFAOYSA-N 1 2 354.523 4.337 50 0 FIAALO CC(C)(C)c1cn2nc(NCCNc3ccc4ccccc4[nH+]3)sc2n1 ZINC000065533735 221232161 /nfs/dbraw/zinc/23/21/61/221232161.db2.gz UMONXTKQDXXCCC-UHFFFAOYSA-N 1 2 366.494 4.161 50 0 FIAALO O=C(Nc1c[nH+]c2n1CCCC2)c1cc(-c2cccnc2)nc2ccccc21 ZINC000067641927 221264893 /nfs/dbraw/zinc/26/48/93/221264893.db2.gz QIYRCUODQAHFCV-UHFFFAOYSA-N 1 2 369.428 4.082 50 0 FIAALO CCc1cc(C[N@@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)[nH]n1 ZINC000067562791 221259291 /nfs/dbraw/zinc/25/92/91/221259291.db2.gz SRQWDTOCBZOMQQ-UHFFFAOYSA-N 1 2 358.445 4.339 50 0 FIAALO CCc1cc(C[N@H+]2CCc3onc(-c4cccc5ccccc54)c3C2)[nH]n1 ZINC000067562791 221259296 /nfs/dbraw/zinc/25/92/96/221259296.db2.gz SRQWDTOCBZOMQQ-UHFFFAOYSA-N 1 2 358.445 4.339 50 0 FIAALO c1[nH]c2c([nH+]1)CCN(Cc1csc(-c3ccccc3)n1)[C@@H]2c1ccccn1 ZINC000067724614 221276011 /nfs/dbraw/zinc/27/60/11/221276011.db2.gz YYLXZFOUOBNKNL-HXUWFJFHSA-N 1 2 373.485 4.076 50 0 FIAALO Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000067757172 221282160 /nfs/dbraw/zinc/28/21/60/221282160.db2.gz AODFQIDTWKABHF-UHFFFAOYSA-N 1 2 356.813 4.089 50 0 FIAALO CC(C)(C)c1cc(Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)n[nH]1 ZINC000067841042 221292113 /nfs/dbraw/zinc/29/21/13/221292113.db2.gz WHCFVAFXKGWDQY-INIZCTEOSA-N 1 2 350.466 4.123 50 0 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COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012710097 220020092 /nfs/dbraw/zinc/02/00/92/220020092.db2.gz LWIXABVAWCSUGX-GOSISDBHSA-N 1 2 369.436 4.132 50 0 FIAALO Cc1cn2cc(NC(=O)/C=C/c3ccccc3OC(F)(F)F)ccc2[nH+]1 ZINC000058310324 212005242 /nfs/dbraw/zinc/00/52/42/212005242.db2.gz OURWEXUWERYWPL-RMKNXTFCSA-N 1 2 361.323 4.193 50 0 FIAALO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000012935899 220045415 /nfs/dbraw/zinc/04/54/15/220045415.db2.gz VXOICVAGQCLCHK-LJQANCHMSA-N 1 2 358.869 4.433 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C)cc2Cl)cc1 ZINC000012935899 220045418 /nfs/dbraw/zinc/04/54/18/220045418.db2.gz VXOICVAGQCLCHK-LJQANCHMSA-N 1 2 358.869 4.433 50 0 FIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)Nc1cccc2ccccc21 ZINC000013324843 220064254 /nfs/dbraw/zinc/06/42/54/220064254.db2.gz KOFUHAISWLBBEY-UHFFFAOYSA-N 1 2 361.445 4.316 50 0 FIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(C)=O)cc3)c2C1 ZINC000013986686 220099887 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C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)Nc1cccc(Br)c1 ZINC000012999614 211017137 /nfs/dbraw/zinc/01/71/37/211017137.db2.gz WVLXWJZQDUFZJH-LLVKDONJSA-N 1 2 365.296 4.068 50 0 FIAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2nc3ccccc3s2)c1 ZINC000012762300 210988138 /nfs/dbraw/zinc/98/81/38/210988138.db2.gz IVDBAFFRUUNKLP-OAHLLOKOSA-N 1 2 353.491 4.372 50 0 FIAALO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2nc3ccccc3s2)c1 ZINC000012762300 210988139 /nfs/dbraw/zinc/98/81/39/210988139.db2.gz IVDBAFFRUUNKLP-OAHLLOKOSA-N 1 2 353.491 4.372 50 0 FIAALO Cc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)cc1F ZINC000008777653 210804197 /nfs/dbraw/zinc/80/41/97/210804197.db2.gz SSKSXQKMUWUJGV-UHFFFAOYSA-N 1 2 351.360 4.014 50 0 FIAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1 ZINC000002371354 210393176 /nfs/dbraw/zinc/39/31/76/210393176.db2.gz MSAPZWNSNVSFHS-UHFFFAOYSA-N 1 2 365.824 4.090 50 0 FIAALO CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 ZINC000002392562 210394238 /nfs/dbraw/zinc/39/42/38/210394238.db2.gz 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O=C(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000077521239 571140480 /nfs/dbraw/zinc/14/04/80/571140480.db2.gz CSUYHCYVLSNMJP-JTQLQIEISA-N 1 2 357.763 4.102 50 0 FIAALO CCn1cncc1C[NH2+]Cc1csc(C23CC4CC(CC(C4)C2)C3)n1 ZINC000065508520 571144544 /nfs/dbraw/zinc/14/45/44/571144544.db2.gz FPPHACVXBIKNRL-UHFFFAOYSA-N 1 2 356.539 4.117 50 0 FIAALO CCCCOc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000025451308 571146434 /nfs/dbraw/zinc/14/64/34/571146434.db2.gz VHWLLYNASIKYIB-UHFFFAOYSA-N 1 2 363.461 4.040 50 0 FIAALO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000023016558 571153074 /nfs/dbraw/zinc/15/30/74/571153074.db2.gz GKOAZHNRUSCCCB-AWEZNQCLSA-N 1 2 372.419 4.020 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)CCCc3ccc(O)cc3)n2)CC1 ZINC000075109330 571155894 /nfs/dbraw/zinc/15/58/94/571155894.db2.gz ZBKZHHXHQCJMCM-UHFFFAOYSA-N 1 2 373.522 4.042 50 0 FIAALO Cc1nc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)sc1C ZINC000075110945 571156168 /nfs/dbraw/zinc/15/61/68/571156168.db2.gz 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Cn1cc[nH+]c1[C@@H](NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000012507407 571173227 /nfs/dbraw/zinc/17/32/27/571173227.db2.gz VRGCWBROZSTYDT-SFHVURJKSA-N 1 2 374.271 4.175 50 0 FIAALO Cc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccccc4)o3)CC2)c1C ZINC000012534462 571175472 /nfs/dbraw/zinc/17/54/72/571175472.db2.gz KQBLQZRZIKVBKS-GOSISDBHSA-N 1 2 362.477 4.237 50 0 FIAALO C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012550543 571179634 /nfs/dbraw/zinc/17/96/34/571179634.db2.gz LKNQTTGLNBTCAR-CYBMUJFWSA-N 1 2 359.351 4.382 50 0 FIAALO O=C(Nc1ccc(Cl)cc1)c1nnc(C[NH+]2CCCCCCC2)s1 ZINC000012569145 571184560 /nfs/dbraw/zinc/18/45/60/571184560.db2.gz VCRPJLXPXIAIRQ-UHFFFAOYSA-N 1 2 364.902 4.210 50 0 FIAALO Cc1ccc2[nH]cc(C(=O)C[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000035848118 571206836 /nfs/dbraw/zinc/20/68/36/571206836.db2.gz NDWLFOSJWRZDNH-UHFFFAOYSA-N 1 2 367.880 4.135 50 0 FIAALO Cc1cc(C)c(C)c2occ(CC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c21 ZINC000077320659 571207296 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S=C(Nc1cc(Cl)cc(Cl)c1)N1CC[N@H+](Cc2ccccc2)C1 ZINC000003029117 571343745 /nfs/dbraw/zinc/34/37/45/571343745.db2.gz KYSQIWHLYNJPGG-UHFFFAOYSA-N 1 2 366.317 4.466 50 0 FIAALO CC(C)([NH2+]Cc1nc(-c2ccco2)no1)c1cccc(C(F)(F)F)c1 ZINC000057846973 571345634 /nfs/dbraw/zinc/34/56/34/571345634.db2.gz FSYBETRUIFJEDR-UHFFFAOYSA-N 1 2 351.328 4.373 50 0 FIAALO Cc1cc(C)cc(NC(=S)N2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC000058096282 571347977 /nfs/dbraw/zinc/34/79/77/571347977.db2.gz YQNGKBNZGDSNDC-UHFFFAOYSA-N 1 2 357.498 4.305 50 0 FIAALO Cc1cc(C)cc(NC(=S)N2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC000058096282 571347978 /nfs/dbraw/zinc/34/79/78/571347978.db2.gz YQNGKBNZGDSNDC-UHFFFAOYSA-N 1 2 357.498 4.305 50 0 FIAALO C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008166052 571359680 /nfs/dbraw/zinc/35/96/80/571359680.db2.gz MSOOPZAIDNNVPU-QGZVFWFLSA-N 1 2 356.429 4.154 50 0 FIAALO COc1cccc([C@H]2C[N@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)c1 ZINC000183045595 1125733456 /nfs/dbraw/zinc/73/34/56/1125733456.db2.gz UDKJQUAANODVSY-OAQYLSRUSA-N 1 2 369.509 4.050 50 0 FIAALO COc1cccc([C@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)c1 ZINC000183045595 1125733458 /nfs/dbraw/zinc/73/34/58/1125733458.db2.gz UDKJQUAANODVSY-OAQYLSRUSA-N 1 2 369.509 4.050 50 0 FIAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000020600241 1089684318 /nfs/dbraw/zinc/68/43/18/1089684318.db2.gz WBGJQJBYDIAEQR-UHFFFAOYSA-N 1 2 373.888 4.151 50 0 FIAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000020600241 1089684326 /nfs/dbraw/zinc/68/43/26/1089684326.db2.gz WBGJQJBYDIAEQR-UHFFFAOYSA-N 1 2 373.888 4.151 50 0 FIAALO Cc1[nH]c2ccc(NC(=O)C[C@@H](c3ccsc3)n3cccc3)cc2[nH+]1 ZINC000263588522 210222782 /nfs/dbraw/zinc/22/27/82/210222782.db2.gz VGHLVQFJVWVSDC-SFHVURJKSA-N 1 2 350.447 4.353 50 0 FIAALO Cc1cc2c([nH]c(C[N@H+]3CC=C(c4ccc(F)cc4)CC3)nc2=O)s1 ZINC000299776761 210020523 /nfs/dbraw/zinc/02/05/23/210020523.db2.gz CPQBCAPWDYUVFI-UHFFFAOYSA-N 1 2 355.438 4.134 50 0 FIAALO Cc1cc2c([nH]c(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)nc2=O)s1 ZINC000299776761 210020526 /nfs/dbraw/zinc/02/05/26/210020526.db2.gz CPQBCAPWDYUVFI-UHFFFAOYSA-N 1 2 355.438 4.134 50 0 FIAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccc(F)cc1)N1CCSCC1 ZINC000064471737 212039492 /nfs/dbraw/zinc/03/94/92/212039492.db2.gz LOUYPBWNAJIQDL-UHFFFAOYSA-N 1 2 367.449 4.307 50 0 FIAALO Cc1cccc(Nc2c(C(=O)N3CCSCC3)c[nH+]c3ccccc32)c1 ZINC000064471726 212039040 /nfs/dbraw/zinc/03/90/40/212039040.db2.gz UZLQWEPFURCLIW-UHFFFAOYSA-N 1 2 363.486 4.476 50 0 FIAALO CC[C@@H](C)N(Cc1ccsc1)C(=O)c1cnc(C[NH+]2CCCC2)s1 ZINC000055211436 211941257 /nfs/dbraw/zinc/94/12/57/211941257.db2.gz HASAJRSJXWRJEA-CQSZACIVSA-N 1 2 363.552 4.241 50 0 FIAALO Cc1nc[nH]c1C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(C)c2)c1 ZINC000012300301 211399209 /nfs/dbraw/zinc/39/92/09/211399209.db2.gz QDHUUJIREZEQMB-QFIPXVFZSA-N 1 2 374.488 4.297 50 0 FIAALO Cc1nc[nH]c1C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2cccc(C)c2)c1 ZINC000012300301 211399215 /nfs/dbraw/zinc/39/92/15/211399215.db2.gz QDHUUJIREZEQMB-QFIPXVFZSA-N 1 2 374.488 4.297 50 0 FIAALO O=c1oc2ccccc2n1C[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855641 211397557 /nfs/dbraw/zinc/39/75/57/211397557.db2.gz BHRLVRJDFWDGAM-GOSISDBHSA-N 1 2 368.483 4.323 50 0 FIAALO O=c1oc2ccccc2n1C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000023855641 211397561 /nfs/dbraw/zinc/39/75/61/211397561.db2.gz BHRLVRJDFWDGAM-GOSISDBHSA-N 1 2 368.483 4.323 50 0 FIAALO CCOc1c(Cl)cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000023889340 211397635 /nfs/dbraw/zinc/39/76/35/211397635.db2.gz NNBFPABTBJQQBF-UHFFFAOYSA-N 1 2 371.824 4.185 50 0 FIAALO COc1ccc([C@H]2CCC[N@@H+]2Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000023843958 211397144 /nfs/dbraw/zinc/39/71/44/211397144.db2.gz HRDCWXLVCIDDAO-GOSISDBHSA-N 1 2 370.522 4.430 50 0 FIAALO COc1ccc([C@H]2CCC[N@H+]2Cn2nc(C3CC3)n(C3CC3)c2=S)cc1 ZINC000023843958 211397147 /nfs/dbraw/zinc/39/71/47/211397147.db2.gz HRDCWXLVCIDDAO-GOSISDBHSA-N 1 2 370.522 4.430 50 0 FIAALO C/C=C/c1ccc(OC[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c(OC)c1 ZINC000021559644 211317097 /nfs/dbraw/zinc/31/70/97/211317097.db2.gz PTPZQZRUIMPWCF-DUMMIQTOSA-N 1 2 366.461 4.135 50 0 FIAALO Cc1c([C@H](Nc2cccc[nH+]2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000020790026 211295337 /nfs/dbraw/zinc/29/53/37/211295337.db2.gz QNVGAHIRDVXXEW-JOCHJYFZSA-N 1 2 370.456 4.081 50 0 FIAALO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2cc(Cl)ccc2o1 ZINC000020591869 211288693 /nfs/dbraw/zinc/28/86/93/211288693.db2.gz OUPXYTAGBBKSGC-UHFFFAOYSA-N 1 2 370.836 4.171 50 0 FIAALO CCCCC12CN3CC(C)(C[N@@H+](C1)C3c1cn(CC)c3ccccc13)C2=O ZINC000019322820 211213175 /nfs/dbraw/zinc/21/31/75/211213175.db2.gz VHJWQMUGOBJFQY-UHFFFAOYSA-N 1 2 365.521 4.057 50 0 biogenic FIAALO CCCCC12CN3CC(C)(C[N@H+](C1)C3c1cn(CC)c3ccccc13)C2=O ZINC000019322820 211213172 /nfs/dbraw/zinc/21/31/72/211213172.db2.gz VHJWQMUGOBJFQY-UHFFFAOYSA-N 1 2 365.521 4.057 50 0 biogenic FIAALO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N(C)Cc1ccccc1 ZINC000017121502 211180112 /nfs/dbraw/zinc/18/01/12/211180112.db2.gz QJLRKWPJVBULFN-UHFFFAOYSA-N 1 2 363.852 4.414 50 0 FIAALO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017120423 211179025 /nfs/dbraw/zinc/17/90/25/211179025.db2.gz PAIMEZCMVKJFJL-UHFFFAOYSA-N 1 2 359.433 4.053 50 0 FIAALO Cc1ccc(C(=O)Nc2ccc(Nc3nc(N(C)C)cc(C)[nH+]3)cc2)cc1 ZINC000017041026 211175022 /nfs/dbraw/zinc/17/50/22/211175022.db2.gz FSDRWIDORVJTGV-UHFFFAOYSA-N 1 2 361.449 4.155 50 0 FIAALO Fc1ccc(CNc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000017150072 211182008 /nfs/dbraw/zinc/18/20/08/211182008.db2.gz PODZNUKIECXGME-UHFFFAOYSA-N 1 2 353.788 4.220 50 0 FIAALO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(Cl)cc3)n2)cc1OC ZINC000015301739 211126585 /nfs/dbraw/zinc/12/65/85/211126585.db2.gz BKRJDNCPYJTMRJ-UHFFFAOYSA-N 1 2 373.840 4.039 50 0 FIAALO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(Cl)cc3)n2)cc1OC ZINC000015301739 211126589 /nfs/dbraw/zinc/12/65/89/211126589.db2.gz BKRJDNCPYJTMRJ-UHFFFAOYSA-N 1 2 373.840 4.039 50 0 FIAALO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nc(-c3ccccc3)no2)cc1C ZINC000015075031 211120088 /nfs/dbraw/zinc/12/00/88/211120088.db2.gz XHWXMGSEBCTCTF-UHFFFAOYSA-N 1 2 373.460 4.376 50 0 FIAALO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nc(-c3ccccc3)no2)cc1C ZINC000015075031 211120093 /nfs/dbraw/zinc/12/00/93/211120093.db2.gz XHWXMGSEBCTCTF-UHFFFAOYSA-N 1 2 373.460 4.376 50 0 FIAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccco2)C3)cc1 ZINC000014962565 211108090 /nfs/dbraw/zinc/10/80/90/211108090.db2.gz WHOMNFNRVGFCNU-UHFFFAOYSA-N 1 2 365.429 4.358 50 0 FIAALO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccco2)C3)cc1 ZINC000014962565 211108093 /nfs/dbraw/zinc/10/80/93/211108093.db2.gz WHOMNFNRVGFCNU-UHFFFAOYSA-N 1 2 365.429 4.358 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(F)c1 ZINC000013011254 211021108 /nfs/dbraw/zinc/02/11/08/211021108.db2.gz QBNFGUGKXRYYBY-UHFFFAOYSA-N 1 2 367.449 4.093 50 0 FIAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(F)c1 ZINC000013011254 211021115 /nfs/dbraw/zinc/02/11/15/211021115.db2.gz QBNFGUGKXRYYBY-UHFFFAOYSA-N 1 2 367.449 4.093 50 0 FIAALO O=C(C[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccc(F)c(F)c1 ZINC000013019461 211020049 /nfs/dbraw/zinc/02/00/49/211020049.db2.gz JLALBSIFQAVMDO-UHFFFAOYSA-N 1 2 367.399 4.174 50 0 FIAALO O=C(C[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1)Nc1ccc(F)c(F)c1 ZINC000013019461 211020054 /nfs/dbraw/zinc/02/00/54/211020054.db2.gz JLALBSIFQAVMDO-UHFFFAOYSA-N 1 2 367.399 4.174 50 0 FIAALO CC1CC[NH+](Cc2csc(NC(=O)c3ccc(Cl)cc3F)n2)CC1 ZINC000012992094 211016951 /nfs/dbraw/zinc/01/69/51/211016951.db2.gz FAACXXUFCZMRSD-UHFFFAOYSA-N 1 2 367.877 4.420 50 0 FIAALO Cc1ccc2[nH+]c(COc3ccc(C(=O)N4CCCCCC4)cc3)cn2c1 ZINC000010365559 210869977 /nfs/dbraw/zinc/86/99/77/210869977.db2.gz WPZXVMVQJGPIEO-UHFFFAOYSA-N 1 2 363.461 4.238 50 0 FIAALO COc1ccc2[nH+]cc(C(=O)[O-])c(Nc3ccc([NH+]4CCCC4)cc3)c2c1 ZINC000019793863 220297029 /nfs/dbraw/zinc/29/70/29/220297029.db2.gz BNDDOFVNSCJPMO-UHFFFAOYSA-N 1 2 363.417 4.285 50 0 FIAALO Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-n3cc[nH+]c3)n2)cc1 ZINC000001080560 210315117 /nfs/dbraw/zinc/31/51/17/210315117.db2.gz BWCHXVSEZBZWBB-UHFFFAOYSA-N 1 2 357.421 4.161 50 0 FIAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000000939528 210292649 /nfs/dbraw/zinc/29/26/49/210292649.db2.gz NQGKDSLUHYJANZ-UHFFFAOYSA-N 1 2 364.401 4.235 50 0 FIAALO CCCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000000809659 210274170 /nfs/dbraw/zinc/27/41/70/210274170.db2.gz FBSCNVBKKSUCDW-UHFFFAOYSA-N 1 2 355.438 4.084 50 0 FIAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C12CC3CC(CC(C3)C1)C2 ZINC000022289148 220382390 /nfs/dbraw/zinc/38/23/90/220382390.db2.gz KZVADKGDXCTDSM-UHFFFAOYSA-N 1 2 359.539 4.284 50 0 FIAALO Fc1ccc(C[NH+]2CCN(Cc3csc(-c4ccsc4)n3)CC2)cc1 ZINC000022547534 220389943 /nfs/dbraw/zinc/38/99/43/220389943.db2.gz WZMJAGUQDAPJOK-UHFFFAOYSA-N 1 2 373.522 4.329 50 0 FIAALO C[N@H+](Cc1ccc(C(=O)Nc2cccnc2)cc1)Cc1cccnc1Cl ZINC000065375789 221206607 /nfs/dbraw/zinc/20/66/07/221206607.db2.gz XBGDTAIWQQXCDV-UHFFFAOYSA-N 1 2 366.852 4.014 50 0 FIAALO C[N@@H+](Cc1ccc(C(=O)Nc2cccnc2)cc1)Cc1cccnc1Cl ZINC000065375789 221206610 /nfs/dbraw/zinc/20/66/10/221206610.db2.gz XBGDTAIWQQXCDV-UHFFFAOYSA-N 1 2 366.852 4.014 50 0 FIAALO CSCCc1c(-c2ccccc2)[nH+]cn1CCc1n[nH]c2c1CCCC2 ZINC000065421285 221217400 /nfs/dbraw/zinc/21/74/00/221217400.db2.gz VYINTOFWUVQPJO-UHFFFAOYSA-N 1 2 366.534 4.300 50 0 FIAALO CSCCc1c(-c2ccccc2)[nH+]cn1CCc1[nH]nc2c1CCCC2 ZINC000065421285 221217404 /nfs/dbraw/zinc/21/74/04/221217404.db2.gz VYINTOFWUVQPJO-UHFFFAOYSA-N 1 2 366.534 4.300 50 0 FIAALO COc1cc(-c2ccc(C)s2)cc2c1OCCN(Cc1[nH]c[nH+]c1C)C2 ZINC000067605087 221262114 /nfs/dbraw/zinc/26/21/14/221262114.db2.gz QUWDXIZEBJLXFH-UHFFFAOYSA-N 1 2 369.490 4.158 50 0 FIAALO COc1cc(C)ccc1C[N@@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067872110 221298492 /nfs/dbraw/zinc/29/84/92/221298492.db2.gz HYQDOMQBTRBZID-UHFFFAOYSA-N 1 2 352.409 4.356 50 0 FIAALO COc1cc(C)ccc1C[N@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067872110 221298494 /nfs/dbraw/zinc/29/84/94/221298494.db2.gz HYQDOMQBTRBZID-UHFFFAOYSA-N 1 2 352.409 4.356 50 0 FIAALO O=C(c1cccc(OCc2cccs2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000070006185 221330589 /nfs/dbraw/zinc/33/05/89/221330589.db2.gz WRJDJYOWIWHBLC-SFHVURJKSA-N 1 2 367.474 4.418 50 0 FIAALO Fc1ccc([C@@H]2C[N@H+](CCOc3cccc4ccccc43)CCO2)cc1 ZINC000070037702 221331523 /nfs/dbraw/zinc/33/15/23/221331523.db2.gz LWNYXYVVKNIFQU-QFIPXVFZSA-N 1 2 351.421 4.431 50 0 FIAALO Fc1ccc([C@@H]2C[N@@H+](CCOc3cccc4ccccc43)CCO2)cc1 ZINC000070037702 221331525 /nfs/dbraw/zinc/33/15/25/221331525.db2.gz LWNYXYVVKNIFQU-QFIPXVFZSA-N 1 2 351.421 4.431 50 0 FIAALO CCc1ccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2cc(C(C)C)no2)cc1 ZINC000071278596 221337493 /nfs/dbraw/zinc/33/74/93/221337493.db2.gz RPQXBPKNFFBNEH-OAQYLSRUSA-N 1 2 350.466 4.231 50 0 FIAALO CC1CCN(c2ccc(CNc3ncnc4c(F)cccc34)c[nH+]2)CC1 ZINC000252487651 132292637 /nfs/dbraw/zinc/29/26/37/132292637.db2.gz HYXZEIUUOWQSEZ-UHFFFAOYSA-N 1 2 351.429 4.012 50 0 FIAALO Fc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1Br ZINC000055543509 132303266 /nfs/dbraw/zinc/30/32/66/132303266.db2.gz LMFNLXVYQBEZAN-UHFFFAOYSA-N 1 2 367.237 4.050 50 0 FIAALO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000054582785 136125629 /nfs/dbraw/zinc/12/56/29/136125629.db2.gz LOHBSUSSGIYULC-AWEZNQCLSA-N 1 2 374.410 4.454 50 0 FIAALO Fc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1F ZINC000055543760 136126985 /nfs/dbraw/zinc/12/69/85/136126985.db2.gz BPBLVFSNKUWPHU-UHFFFAOYSA-N 1 2 356.338 4.306 50 0 FIAALO Cc1cccc(-c2noc(C[NH+]3CCN(c4cccc(Cl)c4)CC3)n2)c1 ZINC000055562690 136127159 /nfs/dbraw/zinc/12/71/59/136127159.db2.gz QFNVTSFDWLFDTN-UHFFFAOYSA-N 1 2 368.868 4.021 50 0 FIAALO Clc1cccnc1NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067675574 136137468 /nfs/dbraw/zinc/13/74/68/136137468.db2.gz XRDPPQLXGCJKEA-UHFFFAOYSA-N 1 2 350.853 4.305 50 0 FIAALO CCCOc1ccc(NC(=O)N(Cc2[nH+]ccn2C)C2CC2)cc1Cl ZINC000096131659 222036293 /nfs/dbraw/zinc/03/62/93/222036293.db2.gz ZHPXXIJCMDKYLV-UHFFFAOYSA-N 1 2 362.861 4.059 50 0 FIAALO CC(C)C(=O)N(Cc1[nH+]ccn1Cc1cccc(F)c1)C1CCCCC1 ZINC000096206950 222076819 /nfs/dbraw/zinc/07/68/19/222076819.db2.gz XMPFRBOAZJNSQD-UHFFFAOYSA-N 1 2 357.473 4.388 50 0 FIAALO C[N@H+](Cc1ccccc1C(F)(F)F)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000096993560 222148380 /nfs/dbraw/zinc/14/83/80/222148380.db2.gz XBBZRGRVMVMUCD-SFHVURJKSA-N 1 2 362.395 4.157 50 0 FIAALO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000096993560 222148383 /nfs/dbraw/zinc/14/83/83/222148383.db2.gz XBBZRGRVMVMUCD-SFHVURJKSA-N 1 2 362.395 4.157 50 0 FIAALO C[N@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc(C(F)(F)F)c1 ZINC000089361500 523521963 /nfs/dbraw/zinc/52/19/63/523521963.db2.gz IFCKQKVRGMPCEJ-UHFFFAOYSA-N 1 2 364.396 4.251 50 0 FIAALO C[N@@H+](Cc1csc(-c2ncccn2)n1)Cc1cccc(C(F)(F)F)c1 ZINC000089361500 523521977 /nfs/dbraw/zinc/52/19/77/523521977.db2.gz IFCKQKVRGMPCEJ-UHFFFAOYSA-N 1 2 364.396 4.251 50 0 FIAALO C[N@H+](Cc1nc(-c2ccsc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000089361501 523548902 /nfs/dbraw/zinc/54/89/02/523548902.db2.gz FTYMFXHDMFXJGM-UHFFFAOYSA-N 1 2 353.369 4.449 50 0 FIAALO C[N@@H+](Cc1nc(-c2ccsc2)no1)Cc1cccc(C(F)(F)F)c1 ZINC000089361501 523548907 /nfs/dbraw/zinc/54/89/07/523548907.db2.gz FTYMFXHDMFXJGM-UHFFFAOYSA-N 1 2 353.369 4.449 50 0 FIAALO O=C(NCCCn1cc[nH+]c1-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000085555171 526291423 /nfs/dbraw/zinc/29/14/23/526291423.db2.gz PPTOSEYKJOMNMN-UHFFFAOYSA-N 1 2 368.868 4.093 50 0 FIAALO O=C(Nc1cccc2ccccc21)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000020534008 527383999 /nfs/dbraw/zinc/38/39/99/527383999.db2.gz IURYXIBOBBUCMD-UHFFFAOYSA-N 1 2 363.436 4.329 50 0 FIAALO CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(OC(F)F)cc2)C1 ZINC000095358557 570453190 /nfs/dbraw/zinc/45/31/90/570453190.db2.gz LSSFQZZHXMRLQU-OAHLLOKOSA-N 1 2 363.408 4.085 50 0 FIAALO Fc1ccc(CN2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095376639 570457925 /nfs/dbraw/zinc/45/79/25/570457925.db2.gz JGUBBRMHTFOPAD-VLCRHTCISA-N 1 2 372.434 4.166 50 0 FIAALO 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CCC[C@@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000057301803 221085905 /nfs/dbraw/zinc/08/59/05/221085905.db2.gz XVELDBZHBLEZHS-URVUXULASA-N 1 2 353.462 4.465 50 0 FIAALO CC[C@H](C)Oc1ccc(C[NH2+]Cc2nc3ccc(OC)cc3[nH]2)cc1OC ZINC000055414564 221069155 /nfs/dbraw/zinc/06/91/55/221069155.db2.gz MHQKLMFNMOKFSD-AWEZNQCLSA-N 1 2 369.465 4.047 50 0 FIAALO CCc1nc(C[NH2+]Cc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1 ZINC000058171381 221102540 /nfs/dbraw/zinc/10/25/40/221102540.db2.gz SFICXQOZNZPRTR-UHFFFAOYSA-N 1 2 369.465 4.387 50 0 FIAALO O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 ZINC000057541939 221090413 /nfs/dbraw/zinc/09/04/13/221090413.db2.gz MIMMOSWOHZGSQW-KRWDZBQOSA-N 1 2 367.251 4.242 50 0 FIAALO Cc1[nH+]cccc1-n1cccc1C(=O)Nc1ccccc1Br ZINC000064839196 221153385 /nfs/dbraw/zinc/15/33/85/221153385.db2.gz JLMYEGMGCYJDTO-UHFFFAOYSA-N 1 2 356.223 4.196 50 0 FIAALO Cc1ccc2[nH+]c3c(n2c1)[C@H](c1cc(Cl)c(C)c(Cl)c1)CC(=O)NC3 ZINC000065374011 221205269 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ZINC000012810499 220032635 /nfs/dbraw/zinc/03/26/35/220032635.db2.gz LUCOWTLYKBHMMG-OAHLLOKOSA-N 1 2 353.491 4.372 50 0 FIAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000014158250 220111316 /nfs/dbraw/zinc/11/13/16/220111316.db2.gz FZHYUFJOCSVHFP-OAHLLOKOSA-N 1 2 355.463 4.316 50 0 FIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2ccccc2OC)no1 ZINC000014158250 220111320 /nfs/dbraw/zinc/11/13/20/220111320.db2.gz FZHYUFJOCSVHFP-OAHLLOKOSA-N 1 2 355.463 4.316 50 0 FIAALO COc1ccc(-c2nn(C[N@@H+]3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000014308377 220122532 /nfs/dbraw/zinc/12/25/32/220122532.db2.gz CMCDXRXKBAGFCE-GOSISDBHSA-N 1 2 366.490 4.411 50 0 FIAALO COc1ccc(-c2nn(C[N@H+]3CCC[C@@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000014308377 220122535 /nfs/dbraw/zinc/12/25/35/220122535.db2.gz CMCDXRXKBAGFCE-GOSISDBHSA-N 1 2 366.490 4.411 50 0 FIAALO Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)C3CCCCC3)cc2)[nH+]1 ZINC000017012991 220201130 /nfs/dbraw/zinc/20/11/30/220201130.db2.gz DWGXNQGWMNWFMH-UHFFFAOYSA-N 1 2 353.470 4.113 50 0 FIAALO CC(C)N(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000017113373 220204460 /nfs/dbraw/zinc/20/44/60/220204460.db2.gz LRMRITJFTHKELP-UHFFFAOYSA-N 1 2 361.424 4.370 50 0 FIAALO O=c1c2c3c(sc2[nH]c(=S)n1CCCn1cc[nH+]c1)CCCCCC3 ZINC000017076685 220205594 /nfs/dbraw/zinc/20/55/94/220205594.db2.gz ILWHSGDWFAFTCD-UHFFFAOYSA-N 1 2 374.535 4.066 50 0 FIAALO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000017076536 220205956 /nfs/dbraw/zinc/20/59/56/220205956.db2.gz WMFSFFLIYWBOSB-UHFFFAOYSA-N 1 2 373.884 4.007 50 0 FIAALO O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1C[NH+]1CCCCC1 ZINC000019607856 220281567 /nfs/dbraw/zinc/28/15/67/220281567.db2.gz HNASYEZBGPIUBX-RIYZIHGNSA-N 1 2 371.289 4.473 50 0 FIAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019838921 220300793 /nfs/dbraw/zinc/30/07/93/220300793.db2.gz SMFFPNORWRMDKK-TXEJJXNPSA-N 1 2 354.372 4.278 50 0 FIAALO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019838921 220300795 /nfs/dbraw/zinc/30/07/95/220300795.db2.gz SMFFPNORWRMDKK-TXEJJXNPSA-N 1 2 354.372 4.278 50 0 FIAALO CCCCCN1c2ccccc2[C@]2([NH2+]CCc3c4cc(C)ccc4[nH]c32)C1=O ZINC000020064213 220309929 /nfs/dbraw/zinc/30/99/29/220309929.db2.gz WBWIQHMHVDZSTI-XMMPIXPASA-N 1 2 373.500 4.402 50 0 biogenic FIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020601742 220334584 /nfs/dbraw/zinc/33/45/84/220334584.db2.gz KDJZFQNBDIBMMM-TXEJJXNPSA-N 1 2 354.372 4.278 50 0 FIAALO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020601742 220334585 /nfs/dbraw/zinc/33/45/85/220334585.db2.gz KDJZFQNBDIBMMM-TXEJJXNPSA-N 1 2 354.372 4.278 50 0 FIAALO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1Cc1ccccc1 ZINC000029554444 220608066 /nfs/dbraw/zinc/60/80/66/220608066.db2.gz XTZICXMBPVMGKZ-UHFFFAOYSA-N 1 2 371.484 4.203 50 0 FIAALO COc1cc(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1O ZINC000055008577 221056150 /nfs/dbraw/zinc/05/61/50/221056150.db2.gz QXVWXZGTMHKLSF-UHFFFAOYSA-N 1 2 361.441 4.286 50 0 biogenic,in-vitro FIAALO Cc1ccccc1NC(=S)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000055514704 221070367 /nfs/dbraw/zinc/07/03/67/221070367.db2.gz JXADUNHGNUPGCU-YRNVUSSQSA-N 1 2 351.519 4.023 50 0 FIAALO CC[NH+](CC)Cc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 ZINC000061722132 221135330 /nfs/dbraw/zinc/13/53/30/221135330.db2.gz HUCIXQDUWTXUDJ-UHFFFAOYSA-N 1 2 356.282 4.001 50 0 FIAALO Cc1ccc2[nH+]c3c(n2c1)[C@@H](c1cc(Cl)c(C)c(Cl)c1)CC(=O)NC3 ZINC000065374012 221205530 /nfs/dbraw/zinc/20/55/30/221205530.db2.gz GHFJGDKYWZUAJR-CYBMUJFWSA-N 1 2 374.271 4.410 50 0 FIAALO Fc1ccccc1-c1noc2c1CN(Cc1c[nH+]cn1C1CCCC1)CC2 ZINC000067434126 221254486 /nfs/dbraw/zinc/25/44/86/221254486.db2.gz VMWHSJQDAXHWEB-UHFFFAOYSA-N 1 2 366.440 4.351 50 0 FIAALO Cc1[nH]c(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)c[nH+]1 ZINC000067642256 221265594 /nfs/dbraw/zinc/26/55/94/221265594.db2.gz AYJDEBALJJIZTP-UHFFFAOYSA-N 1 2 369.852 4.139 50 0 FIAALO Cc1[nH]cc(CN2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)[nH+]1 ZINC000067642256 221265595 /nfs/dbraw/zinc/26/55/95/221265595.db2.gz AYJDEBALJJIZTP-UHFFFAOYSA-N 1 2 369.852 4.139 50 0 FIAALO CCCC(CCC)C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067724074 221276867 /nfs/dbraw/zinc/27/68/67/221276867.db2.gz MOCCOMJCKAEVBK-UHFFFAOYSA-N 1 2 365.521 4.477 50 0 FIAALO CC(C)Cn1c[nH+]cc1CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067675240 221269741 /nfs/dbraw/zinc/26/97/41/221269741.db2.gz HQOVYCLVDHWCLU-UHFFFAOYSA-N 1 2 372.419 4.031 50 0 FIAALO Cc1noc(C)c1NC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2nccs2)c1 ZINC000067677514 221270641 /nfs/dbraw/zinc/27/06/41/221270641.db2.gz AVLOINPGRMPTFA-CYBMUJFWSA-N 1 2 370.478 4.193 50 0 FIAALO Cc1noc(C)c1NC(=O)c1cccc(C[N@H+](C)[C@H](C)c2nccs2)c1 ZINC000067677514 221270643 /nfs/dbraw/zinc/27/06/43/221270643.db2.gz AVLOINPGRMPTFA-CYBMUJFWSA-N 1 2 370.478 4.193 50 0 FIAALO Cc1n[nH]c(C)c1CCCn1cnc(-c2ccccc2)c1-c1c[nH]c(C)[nH+]1 ZINC000067856790 221296766 /nfs/dbraw/zinc/29/67/66/221296766.db2.gz CJOCYPHVBMBYGJ-UHFFFAOYSA-N 1 2 360.465 4.221 50 0 FIAALO O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000071794491 221376765 /nfs/dbraw/zinc/37/67/65/221376765.db2.gz LILXVYZYAOYOOW-UHFFFAOYSA-N 1 2 365.452 4.377 50 0 FIAALO C=Cc1cccc([C@@H]2c3[nH]c[nH+]c3CCN2Cc2ccnc(C(C)C)n2)c1 ZINC000072422874 221511236 /nfs/dbraw/zinc/51/12/36/221511236.db2.gz DYDCWWHQKBQITE-OAQYLSRUSA-N 1 2 359.477 4.114 50 0 FIAALO CSCC[C@H](C(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1)n1cccc1 ZINC000263588431 533631519 /nfs/dbraw/zinc/63/15/19/533631519.db2.gz UEHJARDTTJLBEI-QGZVFWFLSA-N 1 2 356.495 4.421 50 0 FIAALO CCc1cc(N2C[C@@H](C)O[C@@H](c3ccsc3)C2)nc(-c2ccncc2)[nH+]1 ZINC000252550541 132293301 /nfs/dbraw/zinc/29/33/01/132293301.db2.gz SRJYTZURDHLIJR-RDTXWAMCSA-N 1 2 366.490 4.129 50 0 FIAALO O=S(=O)(Nc1ccc([NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000000943976 132379332 /nfs/dbraw/zinc/37/93/32/132379332.db2.gz NZPXIXSLSJBJIL-UHFFFAOYSA-N 1 2 350.871 4.131 50 0 FIAALO Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1Cl ZINC000033131218 136117610 /nfs/dbraw/zinc/11/76/10/136117610.db2.gz KUGIUZHOEICSMX-UHFFFAOYSA-N 1 2 358.873 4.355 50 0 FIAALO Clc1ccccc1N1CC[NH+](Cc2ccccc2Br)CC1 ZINC000053021608 136124745 /nfs/dbraw/zinc/12/47/45/136124745.db2.gz TYHZZRPIPVTCAE-UHFFFAOYSA-N 1 2 365.702 4.425 50 0 FIAALO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000054582786 136125553 /nfs/dbraw/zinc/12/55/53/136125553.db2.gz LOHBSUSSGIYULC-CQSZACIVSA-N 1 2 374.410 4.454 50 0 FIAALO O=C(c1ccccc1OCc1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000077300890 221603799 /nfs/dbraw/zinc/60/37/99/221603799.db2.gz ZRKBGKJPMXMCEW-GOSISDBHSA-N 1 2 361.445 4.009 50 0 FIAALO CCc1oc2c(cccc2NC(=O)N(C)CCCc2[nH+]ccn2C)c1C ZINC000096130698 222037093 /nfs/dbraw/zinc/03/70/93/222037093.db2.gz RUDDOGWFYNQNEN-UHFFFAOYSA-N 1 2 354.454 4.134 50 0 FIAALO COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc2[nH]c[nH+]c2c(C)c1C ZINC000096164904 222064421 /nfs/dbraw/zinc/06/44/21/222064421.db2.gz ZSPUJRKXDCVQTE-AWEZNQCLSA-N 1 2 352.438 4.413 50 0 FIAALO COc1ccccc1[C@H](C)N(C)C(=O)Nc1cc2[nH+]c[nH]c2c(C)c1C ZINC000096164904 222064424 /nfs/dbraw/zinc/06/44/24/222064424.db2.gz ZSPUJRKXDCVQTE-AWEZNQCLSA-N 1 2 352.438 4.413 50 0 FIAALO CC(C)[C@@H](NC(=O)Nc1c(F)cccc1C(F)(F)F)c1[nH+]ccn1C ZINC000096166064 222066929 /nfs/dbraw/zinc/06/69/29/222066929.db2.gz YHXBXMNJYLSOOA-GFCCVEGCSA-N 1 2 358.339 4.097 50 0 FIAALO CC(C)n1c2ccccc2[nH+]c1CCCCCNC(=O)c1ccccn1 ZINC000096231174 222091294 /nfs/dbraw/zinc/09/12/94/222091294.db2.gz WIYZPSLGLYVAFH-UHFFFAOYSA-N 1 2 350.466 4.155 50 0 FIAALO CCc1cc(C(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)sc1C ZINC000096536621 222123623 /nfs/dbraw/zinc/12/36/23/222123623.db2.gz PKJCUVCIVPPQJB-YFHOEESVSA-N 1 2 354.519 4.090 50 0 FIAALO Clc1ccc2[nH]c(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)nc2c1 ZINC000096997344 222149045 /nfs/dbraw/zinc/14/90/45/222149045.db2.gz AYHHULZLSLHCSE-CQSZACIVSA-N 1 2 361.898 4.459 50 0 FIAALO Clc1ccc2[nH]c(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)nc2c1 ZINC000096997344 222149046 /nfs/dbraw/zinc/14/90/46/222149046.db2.gz AYHHULZLSLHCSE-CQSZACIVSA-N 1 2 361.898 4.459 50 0 FIAALO CCCCc1nc(Cl)c(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)[nH]1 ZINC000097105419 222159706 /nfs/dbraw/zinc/15/97/06/222159706.db2.gz LZUPNKYESMRBJX-LJQANCHMSA-N 1 2 361.917 4.351 50 0 FIAALO CCc1[nH+]c2ccccc2n1Cc1nc(=O)c2cc(C(C)(C)C)sc2[nH]1 ZINC000097164492 222165874 /nfs/dbraw/zinc/16/58/74/222165874.db2.gz JRFKCARTSQRKQB-UHFFFAOYSA-N 1 2 366.490 4.243 50 0 FIAALO CN1CC[NH+](Cc2ccc(-c3cccc(OCc4ccccc4)c3)nc2)CC1 ZINC000097819667 222215028 /nfs/dbraw/zinc/21/50/28/222215028.db2.gz DUBHOGKISDVJHH-UHFFFAOYSA-N 1 2 373.500 4.075 50 0 FIAALO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000012507130 263371299 /nfs/dbraw/zinc/37/12/99/263371299.db2.gz RLQZIIAHDXBXOF-SFHVURJKSA-N 1 2 374.271 4.175 50 0 FIAALO CCCCOc1ccc(/C=C2/SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019911693 520852657 /nfs/dbraw/zinc/85/26/57/520852657.db2.gz FNSQXEIRDLLXHB-NBVRZTHBSA-N 1 2 374.506 4.345 50 0 FIAALO CC[N@H+](CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccccc1 ZINC000020575435 521019635 /nfs/dbraw/zinc/01/96/35/521019635.db2.gz AEVIDYBCWKHJRH-UHFFFAOYSA-N 1 2 372.472 4.363 50 0 FIAALO CC[N@@H+](CCCNC(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccccc1 ZINC000020575435 521019645 /nfs/dbraw/zinc/01/96/45/521019645.db2.gz AEVIDYBCWKHJRH-UHFFFAOYSA-N 1 2 372.472 4.363 50 0 FIAALO CC[N@H+](CCCNc1nc(-c2cccc(OC)c2)no1)c1ccccc1 ZINC000020996847 521024819 /nfs/dbraw/zinc/02/48/19/521024819.db2.gz ZYAAFJVFZJZWOG-UHFFFAOYSA-N 1 2 352.438 4.074 50 0 FIAALO CC[N@@H+](CCCNc1nc(-c2cccc(OC)c2)no1)c1ccccc1 ZINC000020996847 521024829 /nfs/dbraw/zinc/02/48/29/521024829.db2.gz ZYAAFJVFZJZWOG-UHFFFAOYSA-N 1 2 352.438 4.074 50 0 FIAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000091551252 521393977 /nfs/dbraw/zinc/39/39/77/521393977.db2.gz QXSWDGSMTCQXOJ-UHFFFAOYSA-N 1 2 363.864 4.496 50 0 FIAALO CCCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000091665136 521394842 /nfs/dbraw/zinc/39/48/42/521394842.db2.gz GWQUOZKJKCCYRI-UHFFFAOYSA-N 1 2 363.864 4.496 50 0 FIAALO COc1ccc(CCCC(=O)N2CCC(c3[nH+]ccn3C(C)C)CC2)cc1 ZINC000091657172 523929418 /nfs/dbraw/zinc/92/94/18/523929418.db2.gz DTBRYTUOBCFQLC-UHFFFAOYSA-N 1 2 369.509 4.202 50 0 FIAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000020601575 526748616 /nfs/dbraw/zinc/74/86/16/526748616.db2.gz LALKZHKETLFTLV-QGZVFWFLSA-N 1 2 354.475 4.155 50 0 FIAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000020601575 526748621 /nfs/dbraw/zinc/74/86/21/526748621.db2.gz LALKZHKETLFTLV-QGZVFWFLSA-N 1 2 354.475 4.155 50 0 FIAALO C[N@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1nnc(-c2ccccc2)o1 ZINC000215059155 568047378 /nfs/dbraw/zinc/04/73/78/568047378.db2.gz NTMTYVKXRFBBGO-MRXNPFEDSA-N 1 2 355.463 4.282 50 0 FIAALO C[N@@H+](Cc1ccc([C@H]2CCCO2)s1)Cc1nnc(-c2ccccc2)o1 ZINC000215059155 568047379 /nfs/dbraw/zinc/04/73/79/568047379.db2.gz NTMTYVKXRFBBGO-MRXNPFEDSA-N 1 2 355.463 4.282 50 0 FIAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@@H+]2CC[C@H]2c2ccc(F)cc2)no1 ZINC000216531443 568127268 /nfs/dbraw/zinc/12/72/68/568127268.db2.gz NXECFYNQNSOPMP-INIZCTEOSA-N 1 2 360.820 4.123 50 0 FIAALO Cc1cc(-c2nn(C)c(Cl)c2C[N@H+]2CC[C@H]2c2ccc(F)cc2)no1 ZINC000216531443 568127269 /nfs/dbraw/zinc/12/72/69/568127269.db2.gz NXECFYNQNSOPMP-INIZCTEOSA-N 1 2 360.820 4.123 50 0 FIAALO Cc1ccccc1-c1ccccc1C(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000220710375 568358073 /nfs/dbraw/zinc/35/80/73/568358073.db2.gz AXVQLLKYHRJENH-IBGZPJMESA-N 1 2 359.473 4.411 50 0 FIAALO Cc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095379345 570458489 /nfs/dbraw/zinc/45/84/89/570458489.db2.gz ZFUQTHRZHGUIQN-QGZVFWFLSA-N 1 2 355.457 4.151 50 0 FIAALO O=C(c1ccc(Cl)cc1O)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095383958 570459657 /nfs/dbraw/zinc/45/96/57/570459657.db2.gz LNYORDDYZFWETB-HNNXBMFYSA-N 1 2 373.884 4.062 50 0 FIAALO O=C(c1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023303993 570461258 /nfs/dbraw/zinc/46/12/58/570461258.db2.gz PZMCKVXFCTWAMM-QHCPKHFHSA-N 1 2 374.459 4.373 50 0 FIAALO O=C(c1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023303995 570461290 /nfs/dbraw/zinc/46/12/90/570461290.db2.gz PZMCKVXFCTWAMM-HSZRJFAPSA-N 1 2 374.459 4.373 50 0 FIAALO O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095498456 570462392 /nfs/dbraw/zinc/46/23/92/570462392.db2.gz ZKQMCXYNEWYUJO-GOSISDBHSA-N 1 2 362.477 4.184 50 0 FIAALO O=C(C1CCCCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095519768 570466968 /nfs/dbraw/zinc/46/69/68/570466968.db2.gz BZRGNFYPBHLCDQ-QGZVFWFLSA-N 1 2 372.538 4.064 50 0 FIAALO CC(C)c1cc([C@@H]2CCCN2C(=O)Cn2cc[nH+]c2-c2ccccc2)no1 ZINC000095520568 570467436 /nfs/dbraw/zinc/46/74/36/570467436.db2.gz UMDAGXXPXFFHHF-SFHVURJKSA-N 1 2 364.449 4.025 50 0 FIAALO CC(C)n1cc[nH+]c1C1CCN(C(=O)c2cc3ccccc3cc2O)CC1 ZINC000095526501 570468946 /nfs/dbraw/zinc/46/89/46/570468946.db2.gz KICYQGUJHAZDIT-UHFFFAOYSA-N 1 2 363.461 4.343 50 0 FIAALO Cc1cccn2cc(COc3ccc(C(=O)N4CCC(C)CC4)cc3)[nH+]c12 ZINC000010356051 570508573 /nfs/dbraw/zinc/50/85/73/570508573.db2.gz PMIIKBQAJLHLGF-UHFFFAOYSA-N 1 2 363.461 4.094 50 0 FIAALO Clc1cccc(Nc2nc(N3CCCCC3)[nH+]c(N3CCCCC3)n2)c1 ZINC000004941991 570564511 /nfs/dbraw/zinc/56/45/11/570564511.db2.gz OZXJGCNLHVFWDA-UHFFFAOYSA-N 1 2 372.904 4.249 50 0 FIAALO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777597 570795649 /nfs/dbraw/zinc/79/56/49/570795649.db2.gz NFBJHPZPRXSFNC-GOSISDBHSA-N 1 2 358.869 4.433 50 0 FIAALO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000032777597 570795653 /nfs/dbraw/zinc/79/56/53/570795653.db2.gz NFBJHPZPRXSFNC-GOSISDBHSA-N 1 2 358.869 4.433 50 0 FIAALO CC[C@@H]1c2ccsc2CC[N@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000032764745 570796254 /nfs/dbraw/zinc/79/62/54/570796254.db2.gz SEBQRXNJJIPSQL-MRXNPFEDSA-N 1 2 369.939 4.185 50 0 FIAALO CC[C@@H]1c2ccsc2CC[N@@H+]1CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000032764745 570796257 /nfs/dbraw/zinc/79/62/57/570796257.db2.gz SEBQRXNJJIPSQL-MRXNPFEDSA-N 1 2 369.939 4.185 50 0 FIAALO 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O=C(CCCc1csc2ccccc12)N1CCC(n2cc[nH+]c2)CC1 ZINC000095964752 571333102 /nfs/dbraw/zinc/33/31/02/571333102.db2.gz JOMOBISKGMAYGP-UHFFFAOYSA-N 1 2 353.491 4.284 50 0 FIAALO CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3F)c2C1 ZINC000096013476 571333985 /nfs/dbraw/zinc/33/39/85/571333985.db2.gz WAVMVMSQKOPJND-CQSZACIVSA-N 1 2 362.470 4.131 50 0 FIAALO CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccccc3F)c2C1 ZINC000096013476 571333986 /nfs/dbraw/zinc/33/39/86/571333986.db2.gz WAVMVMSQKOPJND-CQSZACIVSA-N 1 2 362.470 4.131 50 0 FIAALO COc1ccccc1NC(=S)NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000003225845 571345747 /nfs/dbraw/zinc/34/57/47/571345747.db2.gz OOXAAQBZSHTEFK-UHFFFAOYSA-N 1 2 358.854 4.210 50 0 FIAALO Clc1ccc(-n2ncc3c2nc[nH+]c3NCc2cccnc2)cc1Cl ZINC000004271801 571357448 /nfs/dbraw/zinc/35/74/48/571357448.db2.gz QFPVNMMBQIIXOK-UHFFFAOYSA-N 1 2 371.231 4.129 50 0 FIAALO Cc1ccc(-c2cc(NC(=O)C[N@@H+]3CCC[C@@H]3c3cccs3)on2)cc1 ZINC000007983667 571358038 /nfs/dbraw/zinc/35/80/38/571358038.db2.gz 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CCCc1[nH+]c2ccccc2n1C[C@H](O)COc1c(C)cc(C)cc1C ZINC000000708884 219315329 /nfs/dbraw/zinc/31/53/29/219315329.db2.gz YJRQOSQGWJTERI-SFHVURJKSA-N 1 2 352.478 4.354 50 0 FIAALO CCc1[nH+]c(-c2ccc(OC)c(OC)c2)cc2cc(OC)c(OC)cc21 ZINC000000856168 219331803 /nfs/dbraw/zinc/33/18/03/219331803.db2.gz ZPFSDHHSBZSESO-UHFFFAOYSA-N 1 2 353.418 4.499 50 0 biogenic FIAALO Cn1cc[nH+]c1[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000012541300 220004256 /nfs/dbraw/zinc/00/42/56/220004256.db2.gz GODKRZWLOAQKEI-WWFGTJDESA-N 1 2 363.505 4.232 50 0 FIAALO O=C(Cc1cccc(C(F)(F)F)c1)N[C@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012538748 220004379 /nfs/dbraw/zinc/00/43/79/220004379.db2.gz OMUWDSQRPJHWEQ-QGZVFWFLSA-N 1 2 373.378 4.071 50 0 FIAALO O=C(COc1ccc2ccccc2c1)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012540258 220005135 /nfs/dbraw/zinc/00/51/35/220005135.db2.gz XODZPDXASPRAOV-NRFANRHFSA-N 1 2 371.440 4.042 50 0 FIAALO C[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)c1ccccc1 ZINC000012602243 220012578 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CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C)C1)S2 ZINC000016690041 220191159 /nfs/dbraw/zinc/19/11/59/220191159.db2.gz RLVVRAFICHNSJZ-MLGOLLRUSA-N 1 2 374.485 4.019 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](C)C1)S2 ZINC000016690041 220191161 /nfs/dbraw/zinc/19/11/61/220191161.db2.gz RLVVRAFICHNSJZ-MLGOLLRUSA-N 1 2 374.485 4.019 50 0 FIAALO CCCCC(=O)Nc1ccc(Nc2nc(N3CCCC3)cc(C)[nH+]2)cc1 ZINC000017269851 220211273 /nfs/dbraw/zinc/21/12/73/220211273.db2.gz ZFPHTZRGARSGIM-UHFFFAOYSA-N 1 2 353.470 4.258 50 0 FIAALO COc1cc(C)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000019536544 220269646 /nfs/dbraw/zinc/26/96/46/220269646.db2.gz NNOMBDRMLPCRPX-JXMROGBWSA-N 1 2 350.506 4.143 50 0 FIAALO O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000019831844 220300816 /nfs/dbraw/zinc/30/08/16/220300816.db2.gz SDLWVSOIJICQIZ-UHFFFAOYSA-N 1 2 368.521 4.064 50 0 FIAALO CC(=O)Nc1sc2c(c1[C@H](c1ccccc1)[NH+]1CCOCC1)CCCC2 ZINC000020192230 220318469 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C[N@@H+](Cn1ncc(Cl)c(Cl)c1=O)C(c1ccccc1)c1ccccc1 ZINC000022419621 220385296 /nfs/dbraw/zinc/38/52/96/220385296.db2.gz BHIZMHXYYNSPGV-UHFFFAOYSA-N 1 2 374.271 4.229 50 0 FIAALO O=C(c1c[nH+]c2ccccc2c1Nc1ccccc1Cl)N1CCOCC1 ZINC000035478539 220785932 /nfs/dbraw/zinc/78/59/32/220785932.db2.gz SYKNAELWXQQWMN-UHFFFAOYSA-N 1 2 367.836 4.104 50 0 FIAALO Fc1ccc(OCc2noc(C[N@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000048339833 221009024 /nfs/dbraw/zinc/00/90/24/221009024.db2.gz AGBBPBMMHQEKAQ-UHFFFAOYSA-N 1 2 371.412 4.326 50 0 FIAALO Fc1ccc(OCc2noc(C[N@@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000048339833 221009026 /nfs/dbraw/zinc/00/90/26/221009026.db2.gz AGBBPBMMHQEKAQ-UHFFFAOYSA-N 1 2 371.412 4.326 50 0 FIAALO CCCOc1ccc([NH2+]CCC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000055142517 221059495 /nfs/dbraw/zinc/05/94/95/221059495.db2.gz ACCFPOJSWWQBIE-UHFFFAOYSA-N 1 2 351.402 4.267 50 0 biogenic,in-vitro FIAALO COc1cccc(-c2nc3cc(C)c(C)cc3[nH]2)c1OCCn1cc[nH+]c1 ZINC000055183241 221061175 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CC(C)CC(=O)Nc1ccc2c(c1)nc1n2CC[N@H+](C2CCCCC2)C1 ZINC000057110742 221083881 /nfs/dbraw/zinc/08/38/81/221083881.db2.gz NAQFKEVTQDHATQ-UHFFFAOYSA-N 1 2 354.498 4.169 50 0 FIAALO Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)o1 ZINC000057315269 221086111 /nfs/dbraw/zinc/08/61/11/221086111.db2.gz QQXPWKDOJPVIDM-YPMHNXCESA-N 1 2 371.506 4.204 50 0 FIAALO Cc1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c4c(sc3[nH]2)C[C@H](C)CC4)o1 ZINC000057315269 221086113 /nfs/dbraw/zinc/08/61/13/221086113.db2.gz QQXPWKDOJPVIDM-YPMHNXCESA-N 1 2 371.506 4.204 50 0 FIAALO O=C(C[N@@H+]1CCc2sccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000057381123 221087532 /nfs/dbraw/zinc/08/75/32/221087532.db2.gz QRDOBFSVRILIGP-FQEVSTJZSA-N 1 2 368.527 4.074 50 0 FIAALO O=C(C[N@H+]1CCc2sccc2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000057381123 221087536 /nfs/dbraw/zinc/08/75/36/221087536.db2.gz QRDOBFSVRILIGP-FQEVSTJZSA-N 1 2 368.527 4.074 50 0 FIAALO Cc1nc2sc3c(c2c(NCCCCNc2cccc[nH+]2)n1)CCC3 ZINC000058223375 221109638 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CCc1oc2ccccc2c1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000067696138 221274240 /nfs/dbraw/zinc/27/42/40/221274240.db2.gz LTXAQXKLBFKXJH-JOCHJYFZSA-N 1 2 358.445 4.261 50 0 FIAALO CCc1oc2ccccc2c1C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccn1 ZINC000067696138 221274244 /nfs/dbraw/zinc/27/42/44/221274244.db2.gz LTXAQXKLBFKXJH-JOCHJYFZSA-N 1 2 358.445 4.261 50 0 FIAALO Cc1ccc2n1CC[N@@H+](Cc1cnc3c(-c4ccccc4)cnn3c1)[C@@H]2C ZINC000067757854 221282040 /nfs/dbraw/zinc/28/20/40/221282040.db2.gz UHAXTKHQXXMNTB-QGZVFWFLSA-N 1 2 357.461 4.083 50 0 FIAALO Cc1ccc2n1CC[N@H+](Cc1cnc3c(-c4ccccc4)cnn3c1)[C@@H]2C ZINC000067757854 221282041 /nfs/dbraw/zinc/28/20/41/221282041.db2.gz UHAXTKHQXXMNTB-QGZVFWFLSA-N 1 2 357.461 4.083 50 0 FIAALO CCc1c(C)nn(CCn2cnc(-c3ccccc3)c2-c2[nH+]c[nH]c2C)c1C ZINC000067804603 221287379 /nfs/dbraw/zinc/28/73/79/221287379.db2.gz ATUQVMHMDHZXRP-UHFFFAOYSA-N 1 2 374.492 4.325 50 0 FIAALO Cc1cc(-c2c(-c3ccccc3)ncn2[C@H](c2[nH+]ccn2C)C(C)C)n[nH]1 ZINC000067934318 221306662 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CC(C)c1ccc(C(=O)C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000067206324 132306067 /nfs/dbraw/zinc/30/60/67/132306067.db2.gz SPOUJLLRFIYHAG-UHFFFAOYSA-N 1 2 356.897 4.468 50 0 FIAALO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023694125 132909270 /nfs/dbraw/zinc/90/92/70/132909270.db2.gz LZENCQXVXUQMEX-OAHLLOKOSA-N 1 2 368.868 4.273 50 0 FIAALO COc1cccc(N2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000055142293 136126037 /nfs/dbraw/zinc/12/60/37/136126037.db2.gz VDKTZXPQUMJGSH-UHFFFAOYSA-N 1 2 351.277 4.324 50 0 FIAALO Clc1ccccc1N1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000055543121 136126958 /nfs/dbraw/zinc/12/69/58/136126958.db2.gz KRZQQRMLWMPBGT-UHFFFAOYSA-N 1 2 365.702 4.425 50 0 FIAALO O=C(C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 ZINC000057363893 136128709 /nfs/dbraw/zinc/12/87/09/136128709.db2.gz KOKODDUAMNGMHD-UHFFFAOYSA-N 1 2 371.484 4.114 50 0 FIAALO FC(F)(F)c1cccc2c(N3CCO[C@H](C(F)(F)F)C3)cc[nH+]c21 ZINC000071774930 136141050 /nfs/dbraw/zinc/14/10/50/136141050.db2.gz 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Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000091952303 570443456 /nfs/dbraw/zinc/44/34/56/570443456.db2.gz FSVPGBAKXOPEQK-UHFFFAOYSA-N 1 2 363.461 4.172 50 0 FIAALO CCC[C@H](NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C)c1[nH+]ccn1C ZINC000091997145 570444519 /nfs/dbraw/zinc/44/45/19/570444519.db2.gz AZYQDKUPBISIQN-KRWDZBQOSA-N 1 2 352.482 4.027 50 0 FIAALO O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095361667 570453847 /nfs/dbraw/zinc/45/38/47/570453847.db2.gz DZBNXWKTZSPAKU-IBGZPJMESA-N 1 2 362.477 4.184 50 0 FIAALO CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000095362976 570454289 /nfs/dbraw/zinc/45/42/89/570454289.db2.gz YGJGCIPKUAHYIZ-GOSISDBHSA-N 1 2 368.481 4.297 50 0 FIAALO O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095386842 570460047 /nfs/dbraw/zinc/46/00/47/570460047.db2.gz KTUXOOJKLSQZKS-KRWDZBQOSA-N 1 2 357.885 4.356 50 0 FIAALO O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095386843 570460266 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CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000017288178 220211466 /nfs/dbraw/zinc/21/14/66/220211466.db2.gz SXWDHWOMAPMGOY-UHFFFAOYSA-N 1 2 357.461 4.459 50 0 FIAALO CCN(Cc1ccccc1)c1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000017288182 220211080 /nfs/dbraw/zinc/21/10/80/220211080.db2.gz FCIIZCLAVJWRLK-UHFFFAOYSA-N 1 2 363.852 4.495 50 0 FIAALO COc1cc(-c2nc(C[N@@H+]3CCOc4ccccc4C3)c(C)o2)ccc1F ZINC000019535272 220268780 /nfs/dbraw/zinc/26/87/80/220268780.db2.gz BIWBTDIXBKHENV-UHFFFAOYSA-N 1 2 368.408 4.192 50 0 FIAALO COc1cc(-c2nc(C[N@H+]3CCOc4ccccc4C3)c(C)o2)ccc1F ZINC000019535272 220268782 /nfs/dbraw/zinc/26/87/82/220268782.db2.gz BIWBTDIXBKHENV-UHFFFAOYSA-N 1 2 368.408 4.192 50 0 FIAALO CCCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000019706957 220288914 /nfs/dbraw/zinc/28/89/14/220288914.db2.gz KPZLSFBZHRSCPA-KRWDZBQOSA-N 1 2 364.276 4.373 50 0 FIAALO CC(=O)Nc1ccc2[nH]c(C)c([C@H](Nc3cccc[nH+]3)c3ccccn3)c2c1 ZINC000021805634 220367204 /nfs/dbraw/zinc/36/72/04/220367204.db2.gz 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367.499 4.345 50 0 FIAALO c1cnn(-c2ccccc2Cn2c[nH+]c(-c3ccccc3)c2[C@H]2CCOC2)c1 ZINC000065372617 221205288 /nfs/dbraw/zinc/20/52/88/221205288.db2.gz BFRXZGORBZDCFN-FQEVSTJZSA-N 1 2 370.456 4.288 50 0 FIAALO Cc1ccc[nH+]c1CCn1cnc(-c2ccccc2)c1-c1ccc(CO)o1 ZINC000065373259 221205338 /nfs/dbraw/zinc/20/53/38/221205338.db2.gz FXEUPLLFJQNOBM-UHFFFAOYSA-N 1 2 359.429 4.249 50 0 FIAALO O=C(c1c[nH+]c2ccc(F)cc2c1NCc1ccccc1F)N1CCCC1 ZINC000067288236 221251161 /nfs/dbraw/zinc/25/11/61/221251161.db2.gz JQNSBYZGYUAGJD-UHFFFAOYSA-N 1 2 367.399 4.361 50 0 FIAALO CC(C)c1cc(C[N@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)on1 ZINC000067447122 221254369 /nfs/dbraw/zinc/25/43/69/221254369.db2.gz KDIWSKBNHXOILP-UHFFFAOYSA-N 1 2 361.449 4.140 50 0 FIAALO CC(C)c1cc(C[N@@H+](C)Cc2cnc3c(-c4ccccc4)cnn3c2)on1 ZINC000067447122 221254372 /nfs/dbraw/zinc/25/43/72/221254372.db2.gz KDIWSKBNHXOILP-UHFFFAOYSA-N 1 2 361.449 4.140 50 0 FIAALO Oc1cc(-c2ccccn2)cc2c1OCC[N@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000067783827 221284086 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Cc1cccc2[nH+]c(CCn3cnc(-c4ccccc4)c3[C@@H]3CCOC3)[nH]c21 ZINC000067975779 221312224 /nfs/dbraw/zinc/31/22/24/221312224.db2.gz IEUKJZOHKVGYJG-GOSISDBHSA-N 1 2 372.472 4.481 50 0 FIAALO CC[NH+](CC)Cc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 ZINC000071260542 221337311 /nfs/dbraw/zinc/33/73/11/221337311.db2.gz HJGXBCSYTPRIGO-UHFFFAOYSA-N 1 2 356.282 4.001 50 0 FIAALO Cc1ccc2[nH+]c(N3CCC4(CC3)Nc3ccccc3NC4=O)cc(C)c2c1 ZINC000082100193 132194950 /nfs/dbraw/zinc/19/49/50/132194950.db2.gz GXHDQLJUTFTAQE-UHFFFAOYSA-N 1 2 372.472 4.255 50 0 FIAALO c1cn(Cc2cccnc2)c([C@H]2CCCN(c3nccc4ccccc43)C2)[nH+]1 ZINC000092080568 132205969 /nfs/dbraw/zinc/20/59/69/132205969.db2.gz FCDRWIQLMINCPL-FQEVSTJZSA-N 1 2 369.472 4.259 50 0 FIAALO c1cn(Cc2cccnc2)c([C@@H]2CCCN(c3nccc4ccccc43)C2)[nH+]1 ZINC000092080571 132206016 /nfs/dbraw/zinc/20/60/16/132206016.db2.gz FCDRWIQLMINCPL-HXUWFJFHSA-N 1 2 369.472 4.259 50 0 FIAALO COc1ccccc1N1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000055292297 136126431 /nfs/dbraw/zinc/12/64/31/136126431.db2.gz OUDDFTZESAKGBV-UHFFFAOYSA-N 1 2 351.277 4.324 50 0 FIAALO Fc1ccccc1N1CC[NH+](Cc2csc(-c3ccccc3)n2)CC1 ZINC000055554735 136127133 /nfs/dbraw/zinc/12/71/33/136127133.db2.gz ZHXKYLPDEIYCQA-UHFFFAOYSA-N 1 2 353.466 4.271 50 0 FIAALO CC[C@@H](NC(=O)Nc1cccc(Cl)c1OC(C)C)c1[nH]cc(C)[nH+]1 ZINC000096137535 222041398 /nfs/dbraw/zinc/04/13/98/222041398.db2.gz XWDFKBRKZDUZIM-CYBMUJFWSA-N 1 2 350.850 4.432 50 0 FIAALO Cc1nc2sccn2c1C[N@@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000020450377 263380395 /nfs/dbraw/zinc/38/03/95/263380395.db2.gz ZQHZHLMIPWSUKI-UHFFFAOYSA-N 1 2 368.437 4.057 50 0 FIAALO Cc1nc2sccn2c1C[N@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000020450377 263380398 /nfs/dbraw/zinc/38/03/98/263380398.db2.gz ZQHZHLMIPWSUKI-UHFFFAOYSA-N 1 2 368.437 4.057 50 0 FIAALO COc1ccccc1Nc1nn(C[N@@H+]2CCCC[C@@H]2C)c(=S)s1 ZINC000025196973 263388665 /nfs/dbraw/zinc/38/86/65/263388665.db2.gz HAEODIXFEKDSHR-LBPRGKRZSA-N 1 2 350.513 4.258 50 0 FIAALO COc1ccccc1Nc1nn(C[N@H+]2CCCC[C@@H]2C)c(=S)s1 ZINC000025196973 263388666 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373.456 4.134 50 0 FIAALO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccco1)c1ccccc1 ZINC000006638983 571238192 /nfs/dbraw/zinc/23/81/92/571238192.db2.gz CSHXLKZJDZUMHS-FQEVSTJZSA-N 1 2 350.418 4.148 50 0 FIAALO CC(C)CN(Cc1[nH+]ccn1Cc1cccc(F)c1)C(=O)C1CCCC1 ZINC000006690764 571241291 /nfs/dbraw/zinc/24/12/91/571241291.db2.gz RDLKVCSDIZSNGF-UHFFFAOYSA-N 1 2 357.473 4.245 50 0 FIAALO Cc1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)[nH]c2c1c(C)ccc2C ZINC000091616998 571241310 /nfs/dbraw/zinc/24/13/10/571241310.db2.gz PMRLDWBBLVNQPV-UHFFFAOYSA-N 1 2 362.477 4.205 50 0 FIAALO O=C1c2ccccc2N[C@H](c2ccc(-n3cc[nH+]c3)cc2)N1CC(F)(F)F ZINC000007043671 571258114 /nfs/dbraw/zinc/25/81/14/571258114.db2.gz RQKVWKLIECPBCM-KRWDZBQOSA-N 1 2 372.350 4.001 50 0 FIAALO C[N@H+](CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccc(Cl)cc1 ZINC000007061839 571260349 /nfs/dbraw/zinc/26/03/49/571260349.db2.gz TZWMQBYOPXHELV-UHFFFAOYSA-N 1 2 358.656 4.112 50 0 FIAALO C[N@@H+](CC(=O)Nc1ncc(Cl)cc1Cl)Cc1ccc(Cl)cc1 ZINC000007061839 571260350 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COc1cccc(-c2cncc(C[NH+]3CCN(Cc4ccccc4)CC3)c2)c1 ZINC000034669350 571282376 /nfs/dbraw/zinc/28/23/76/571282376.db2.gz WSKYORDMZBJNOS-UHFFFAOYSA-N 1 2 373.500 4.075 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000007716639 571286347 /nfs/dbraw/zinc/28/63/47/571286347.db2.gz PQDUKLXHYDSKFP-SFHVURJKSA-N 1 2 374.868 4.133 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(Cl)c2)c1 ZINC000007716639 571286348 /nfs/dbraw/zinc/28/63/48/571286348.db2.gz PQDUKLXHYDSKFP-SFHVURJKSA-N 1 2 374.868 4.133 50 0 FIAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000007922148 571294345 /nfs/dbraw/zinc/29/43/45/571294345.db2.gz ZYAWUWPGVUGHAD-LLVKDONJSA-N 1 2 361.417 4.206 50 0 FIAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CC(=O)Nc1ccc(F)c(F)c1 ZINC000007922148 571294346 /nfs/dbraw/zinc/29/43/46/571294346.db2.gz ZYAWUWPGVUGHAD-LLVKDONJSA-N 1 2 361.417 4.206 50 0 FIAALO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000253398133 571311998 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CCc1[nH+]c2ccccc2n1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000002627804 571339521 /nfs/dbraw/zinc/33/95/21/571339521.db2.gz UTJRTNUVAWTPRK-UHFFFAOYSA-N 1 2 350.447 4.156 50 0 FIAALO CC[NH+]1CCN(C(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)CC1 ZINC000058057764 571347462 /nfs/dbraw/zinc/34/74/62/571347462.db2.gz CCSQFMPNPKGZMB-UHFFFAOYSA-N 1 2 373.909 4.189 50 0 FIAALO COc1ccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1Cl ZINC000003438882 571349755 /nfs/dbraw/zinc/34/97/55/571349755.db2.gz UYJDWMVGNGUFCO-LJQANCHMSA-N 1 2 370.836 4.411 50 0 FIAALO Clc1cccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1 ZINC000022591506 1082963137 /nfs/dbraw/zinc/96/31/37/1082963137.db2.gz JFTAQBYRUSMFBK-UHFFFAOYSA-N 1 2 371.731 4.486 50 0 FIAALO COc1cc(Br)ccc1C[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000170606866 222601817 /nfs/dbraw/zinc/60/18/17/222601817.db2.gz WBLSYDWNGUHZNB-DYVFJYSZSA-N 1 2 361.283 4.436 50 0 FIAALO COc1cc(Br)ccc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000170606866 222601819 /nfs/dbraw/zinc/60/18/19/222601819.db2.gz 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ZINC000012609782 220013659 /nfs/dbraw/zinc/01/36/59/220013659.db2.gz QCBBZNHXWJSGAR-LJQANCHMSA-N 1 2 366.490 4.206 50 0 FIAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccoc1 ZINC000012705221 220018108 /nfs/dbraw/zinc/01/81/08/220018108.db2.gz BXJWNKTVHBLJIV-SFHVURJKSA-N 1 2 353.447 4.006 50 0 FIAALO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@H+]1Cc1ccoc1 ZINC000012705221 220018111 /nfs/dbraw/zinc/01/81/11/220018111.db2.gz BXJWNKTVHBLJIV-SFHVURJKSA-N 1 2 353.447 4.006 50 0 FIAALO Cc1ccc(OCC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(C)c1 ZINC000012926261 220044232 /nfs/dbraw/zinc/04/42/32/220044232.db2.gz YEEJXGFMUBFITA-UHFFFAOYSA-N 1 2 373.522 4.009 50 0 FIAALO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000013325003 220063871 /nfs/dbraw/zinc/06/38/71/220063871.db2.gz QETLDUIPGMLYRX-UHFFFAOYSA-N 1 2 359.857 4.125 50 0 FIAALO Cc1nn(C)c(C)c1C[N@H+](Cc1nc(-c2ccccc2C)oc1C)C1CC1 ZINC000013595039 220077659 /nfs/dbraw/zinc/07/76/59/220077659.db2.gz UUIFWRRIYLZGPG-UHFFFAOYSA-N 1 2 364.493 4.473 50 0 FIAALO Cc1nn(C)c(C)c1C[N@@H+](Cc1nc(-c2ccccc2C)oc1C)C1CC1 ZINC000013595039 220077662 /nfs/dbraw/zinc/07/76/62/220077662.db2.gz UUIFWRRIYLZGPG-UHFFFAOYSA-N 1 2 364.493 4.473 50 0 FIAALO O=C1c2ccccc2[C@H]([NH2+]Cc2ccc(F)cc2)N1Cc1ccc(F)cc1 ZINC000013895389 220098689 /nfs/dbraw/zinc/09/86/89/220098689.db2.gz ZVOPMYIVMROSIG-OAQYLSRUSA-N 1 2 364.395 4.409 50 0 FIAALO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4ccccc43)c2C1 ZINC000014184103 220113772 /nfs/dbraw/zinc/11/37/72/220113772.db2.gz TVGUHRRXUJCBRM-NRFANRHFSA-N 1 2 371.484 4.030 50 0 FIAALO CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCc4ccccc43)c2C1 ZINC000014184103 220113774 /nfs/dbraw/zinc/11/37/74/220113774.db2.gz TVGUHRRXUJCBRM-NRFANRHFSA-N 1 2 371.484 4.030 50 0 FIAALO COc1ccc(-c2nn(C[N@@H+]3CCC[C@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000014308378 220122160 /nfs/dbraw/zinc/12/21/60/220122160.db2.gz CMCDXRXKBAGFCE-SFHVURJKSA-N 1 2 366.490 4.411 50 0 FIAALO COc1ccc(-c2nn(C[N@H+]3CCC[C@H]3c3ccccc3)c(=S)[nH]2)cc1 ZINC000014308378 220122162 /nfs/dbraw/zinc/12/21/62/220122162.db2.gz CMCDXRXKBAGFCE-SFHVURJKSA-N 1 2 366.490 4.411 50 0 FIAALO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cc(C)c(Cl)c(C)c1 ZINC000016903694 220195768 /nfs/dbraw/zinc/19/57/68/220195768.db2.gz WFNWGGCZRKTSPD-HNNXBMFYSA-N 1 2 358.869 4.309 50 0 FIAALO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000016953776 220198169 /nfs/dbraw/zinc/19/81/69/220198169.db2.gz XWUPVQOBOFSSMY-UHFFFAOYSA-N 1 2 365.824 4.090 50 0 FIAALO Cc1ccc(-c2nc(C[N@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)s1 ZINC000019219059 220241088 /nfs/dbraw/zinc/24/10/88/220241088.db2.gz RYPPVNQURYRURA-OAHLLOKOSA-N 1 2 370.474 4.292 50 0 FIAALO Cc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3COc4ccccc4O3)c(C)o2)s1 ZINC000019219059 220241092 /nfs/dbraw/zinc/24/10/92/220241092.db2.gz RYPPVNQURYRURA-OAHLLOKOSA-N 1 2 370.474 4.292 50 0 FIAALO CCCSc1nc(=O)c2c3c(sc2[nH]1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019860401 220301184 /nfs/dbraw/zinc/30/11/84/220301184.db2.gz JHOSKAMSXCVRBY-UHFFFAOYSA-N 1 2 371.531 4.045 50 0 aggregator FIAALO CCCSc1nc(=O)c2c3c(sc2[nH]1)C[N@H+](Cc1ccccc1)CC3 ZINC000019860401 220301190 /nfs/dbraw/zinc/30/11/90/220301190.db2.gz JHOSKAMSXCVRBY-UHFFFAOYSA-N 1 2 371.531 4.045 50 0 aggregator FIAALO Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@]31c2ccccc2N(CCC(C)C)C1=O ZINC000020064215 220310603 /nfs/dbraw/zinc/31/06/03/220310603.db2.gz KPZXMRQFCOQRNO-XMMPIXPASA-N 1 2 373.500 4.258 50 0 biogenic FIAALO C[C@@H]1C[NH+](Cc2c(-c3ccccc3)nc3ccc(Cl)cn32)C[C@@H](C)O1 ZINC000020386121 220324746 /nfs/dbraw/zinc/32/47/46/220324746.db2.gz OJLRJNGOQDIRQI-HUUCEWRRSA-N 1 2 355.869 4.264 50 0 FIAALO CCCCCCNc1nc(SC)nc2sc3c(c21)CC[N@@H+](C)C3 ZINC000020390204 220325202 /nfs/dbraw/zinc/32/52/02/220325202.db2.gz LLSXMAYDGCUREZ-UHFFFAOYSA-N 1 2 350.557 4.393 50 0 FIAALO CCCCCCNc1nc(SC)nc2sc3c(c21)CC[N@H+](C)C3 ZINC000020390204 220325205 /nfs/dbraw/zinc/32/52/05/220325205.db2.gz LLSXMAYDGCUREZ-UHFFFAOYSA-N 1 2 350.557 4.393 50 0 FIAALO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)n1 ZINC000020472775 220328288 /nfs/dbraw/zinc/32/82/88/220328288.db2.gz WRGUFTILQHQJOW-HSZRJFAPSA-N 1 2 371.488 4.106 50 0 FIAALO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)n1 ZINC000020472775 220328292 /nfs/dbraw/zinc/32/82/92/220328292.db2.gz WRGUFTILQHQJOW-HSZRJFAPSA-N 1 2 371.488 4.106 50 0 FIAALO COc1ccc(Cl)cc1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000022238215 220380543 /nfs/dbraw/zinc/38/05/43/220380543.db2.gz IRZFDSICEFDOQV-UHFFFAOYSA-N 1 2 365.886 4.043 50 0 FIAALO Cc1ccc2[nH+]cn(C3CCN(C(=O)Cc4c(F)cccc4F)CC3)c2c1 ZINC000022659233 220393785 /nfs/dbraw/zinc/39/37/85/220393785.db2.gz YWIDQQALFMBILG-UHFFFAOYSA-N 1 2 369.415 4.029 50 0 FIAALO CCc1nc2n(n1)C(=O)C([C@@H](c1ccc(C)cc1)[NH+]1CCC(C)CC1)S2 ZINC000022853334 220399958 /nfs/dbraw/zinc/39/99/58/220399958.db2.gz VUKTUTGNUMRULO-QGZVFWFLSA-N 1 2 370.522 4.189 50 0 FIAALO CCCCCCn1c(SCc2[nH+]ccn2C)nc2ccccc2c1=O ZINC000048355487 221010056 /nfs/dbraw/zinc/01/00/56/221010056.db2.gz PQZLJNCCWNDMQB-UHFFFAOYSA-N 1 2 356.495 4.003 50 0 FIAALO O[C@H](c1ccc2c(c1)C[N@@H+](Cc1cccnc1)CCO2)C1CCCCC1 ZINC000055253693 221063801 /nfs/dbraw/zinc/06/38/01/221063801.db2.gz AIWRUHKPRAWZGI-QFIPXVFZSA-N 1 2 352.478 4.090 50 0 FIAALO O[C@H](c1ccc2c(c1)C[N@H+](Cc1cccnc1)CCO2)C1CCCCC1 ZINC000055253693 221063804 /nfs/dbraw/zinc/06/38/04/221063804.db2.gz AIWRUHKPRAWZGI-QFIPXVFZSA-N 1 2 352.478 4.090 50 0 FIAALO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3c2OCO3)s1 ZINC000055253060 221064838 /nfs/dbraw/zinc/06/48/38/221064838.db2.gz DXCCJRNAWDIWED-UHFFFAOYSA-N 1 2 352.459 4.383 50 0 FIAALO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc3c2OCO3)s1 ZINC000055253060 221064841 /nfs/dbraw/zinc/06/48/41/221064841.db2.gz DXCCJRNAWDIWED-UHFFFAOYSA-N 1 2 352.459 4.383 50 0 FIAALO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000055359619 221067138 /nfs/dbraw/zinc/06/71/38/221067138.db2.gz IPWPRDVAWAOQSL-AWEZNQCLSA-N 1 2 363.379 4.207 50 0 FIAALO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000055359619 221067140 /nfs/dbraw/zinc/06/71/40/221067140.db2.gz IPWPRDVAWAOQSL-AWEZNQCLSA-N 1 2 363.379 4.207 50 0 FIAALO Cn1cc[nH+]c1CN(Cc1cnc(-c2ccc3ccccc3c2)nc1)C1CC1 ZINC000055393365 221068738 /nfs/dbraw/zinc/06/87/38/221068738.db2.gz VTNCNOBSCBQUSJ-UHFFFAOYSA-N 1 2 369.472 4.195 50 0 FIAALO CC(C)c1nc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)cs1 ZINC000058216907 221108260 /nfs/dbraw/zinc/10/82/60/221108260.db2.gz JHWCVUOGCNPIMB-UHFFFAOYSA-N 1 2 369.490 4.079 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058151165 221099228 /nfs/dbraw/zinc/09/92/28/221099228.db2.gz BNKFIAOIUNFOFH-NRFANRHFSA-N 1 2 363.461 4.227 50 0 FIAALO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058151165 221099231 /nfs/dbraw/zinc/09/92/31/221099231.db2.gz BNKFIAOIUNFOFH-NRFANRHFSA-N 1 2 363.461 4.227 50 0 FIAALO COc1c(C)c[nH+]c(CNC(=O)C2c3ccccc3Oc3ccccc32)c1C ZINC000058428127 221119045 /nfs/dbraw/zinc/11/90/45/221119045.db2.gz CGKHNMLEGKGCRP-UHFFFAOYSA-N 1 2 374.440 4.261 50 0 FIAALO O=C(Cc1cccs1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130230 221138660 /nfs/dbraw/zinc/13/86/60/221138660.db2.gz JIJIPQLVNJCSGO-UHFFFAOYSA-N 1 2 365.502 4.093 50 0 FIAALO CCc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OC)c(Br)c2)on1 ZINC000064666930 221150069 /nfs/dbraw/zinc/15/00/69/221150069.db2.gz FKQLLBNNORTZMU-OAHLLOKOSA-N 1 2 365.271 4.345 50 0 FIAALO CCc1cc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(Br)c2)on1 ZINC000064666930 221150072 /nfs/dbraw/zinc/15/00/72/221150072.db2.gz FKQLLBNNORTZMU-OAHLLOKOSA-N 1 2 365.271 4.345 50 0 FIAALO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1cc(F)ccc1Cl ZINC000065172890 221175719 /nfs/dbraw/zinc/17/57/19/221175719.db2.gz ZHJWPJXKGBDBCB-UHFFFAOYSA-N 1 2 361.848 4.185 50 0 FIAALO OCCCc1[nH+]c2ccccc2n1C[C@H](O)c1cc(Cl)ccc1Cl ZINC000065474429 221224097 /nfs/dbraw/zinc/22/40/97/221224097.db2.gz DAMZVJKBAWWXIT-KRWDZBQOSA-N 1 2 365.260 4.002 50 0 FIAALO CC(C)n1cc[nH+]c1CN1CCc2onc(-c3ccc(Cl)cc3)c2C1 ZINC000067650327 221266207 /nfs/dbraw/zinc/26/62/07/221266207.db2.gz YIZISXGVHYSRHP-UHFFFAOYSA-N 1 2 356.857 4.331 50 0 FIAALO Cc1nc(N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)cc[nH+]1 ZINC000067920144 221305403 /nfs/dbraw/zinc/30/54/03/221305403.db2.gz ZSIOWZPOQQEOLZ-UHFFFAOYSA-N 1 2 367.836 4.210 50 0 FIAALO COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069535546 221326214 /nfs/dbraw/zinc/32/62/14/221326214.db2.gz VMQOIPHDDHPCDD-UHFFFAOYSA-N 1 2 355.825 4.154 50 0 FIAALO O[C@H](c1cccs1)C1CC[NH+](Cc2c(Cl)nc3sccn23)CC1 ZINC000071551884 221351479 /nfs/dbraw/zinc/35/14/79/221351479.db2.gz BPGOLXUZWOLYPP-AWEZNQCLSA-N 1 2 367.927 4.056 50 0 FIAALO C/C(=C\C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1)c1ccccc1F ZINC000098055229 533401026 /nfs/dbraw/zinc/40/10/26/533401026.db2.gz CRYMFHSQJLCDGJ-GHRIWEEISA-N 1 2 367.468 4.177 50 0 FIAALO Cc1ccc2[nH]c(C3CCN(c4nccc(-c5ccccn5)n4)CC3)[nH+]c2c1 ZINC000096130878 132219710 /nfs/dbraw/zinc/21/97/10/132219710.db2.gz INTGAAQXJMNOIG-UHFFFAOYSA-N 1 2 370.460 4.107 50 0 FIAALO CC[C@@H](C)c1ccc(NC(=S)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000100776922 132233090 /nfs/dbraw/zinc/23/30/90/132233090.db2.gz BXDZSEGUROVOQQ-MRXNPFEDSA-N 1 2 354.523 4.114 50 0 FIAALO Cc1cccc(N2CC[NH+](Cc3cc(Br)cs3)CC2)c1C ZINC000055543440 136126995 /nfs/dbraw/zinc/12/69/95/136126995.db2.gz TVPQQTKRYUSFSN-UHFFFAOYSA-N 1 2 365.340 4.450 50 0 FIAALO Cc1cccc(N2CC[NH+]([C@H](C)c3nnc(-c4cccs4)o3)CC2)c1C ZINC000057449623 136129397 /nfs/dbraw/zinc/12/93/97/136129397.db2.gz BVONNVUUNDHCGG-MRXNPFEDSA-N 1 2 368.506 4.298 50 0 FIAALO Cc1nc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)sc1C ZINC000075110947 221574252 /nfs/dbraw/zinc/57/42/52/221574252.db2.gz CURKYHOJPXGCAN-SJORKVTESA-N 1 2 367.478 4.007 50 0 FIAALO CCn1cc[nH+]c1C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000095523583 221950001 /nfs/dbraw/zinc/95/00/01/221950001.db2.gz QBEIRXZXSMMHEG-UHFFFAOYSA-N 1 2 357.523 4.253 50 0 FIAALO O=C(/C=C\c1ccc(Cl)cc1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000096179172 222068130 /nfs/dbraw/zinc/06/81/30/222068130.db2.gz DFMFSCMYKGCDKH-WQLSENKSSA-N 1 2 369.896 4.445 50 0 FIAALO C[N@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000096993561 222147534 /nfs/dbraw/zinc/14/75/34/222147534.db2.gz XBBZRGRVMVMUCD-GOSISDBHSA-N 1 2 362.395 4.157 50 0 FIAALO C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000096993561 222147537 /nfs/dbraw/zinc/14/75/37/222147537.db2.gz XBBZRGRVMVMUCD-GOSISDBHSA-N 1 2 362.395 4.157 50 0 FIAALO Cc1cccc(-c2nnc(C[N@@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000096982026 222148282 /nfs/dbraw/zinc/14/82/82/222148282.db2.gz QIPSHHNQDZHCJW-QGZVFWFLSA-N 1 2 369.490 4.288 50 0 FIAALO Cc1cccc(-c2nnc(C[N@H+](Cc3cccs3)C[C@H]3CCCO3)o2)c1 ZINC000096982026 222148285 /nfs/dbraw/zinc/14/82/85/222148285.db2.gz QIPSHHNQDZHCJW-QGZVFWFLSA-N 1 2 369.490 4.288 50 0 FIAALO Cc1ccc(F)cc1C[N@@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097413179 222179535 /nfs/dbraw/zinc/17/95/35/222179535.db2.gz YPUWBVRALKIANC-UHFFFAOYSA-N 1 2 357.379 4.361 50 0 FIAALO Cc1ccc(F)cc1C[N@H+]1CCc2nc(-c3ccc(F)cc3F)[nH]c2C1 ZINC000097413179 222179539 /nfs/dbraw/zinc/17/95/39/222179539.db2.gz YPUWBVRALKIANC-UHFFFAOYSA-N 1 2 357.379 4.361 50 0 FIAALO CC(=O)Nc1ccc2nc(C[N@@H+]3CCCC[C@H]3c3cc(C)on3)ccc2c1 ZINC000097551283 222191821 /nfs/dbraw/zinc/19/18/21/222191821.db2.gz TWRAVZDNUUQBAF-NRFANRHFSA-N 1 2 364.449 4.217 50 0 FIAALO CC(=O)Nc1ccc2nc(C[N@H+]3CCCC[C@H]3c3cc(C)on3)ccc2c1 ZINC000097551283 222191824 /nfs/dbraw/zinc/19/18/24/222191824.db2.gz TWRAVZDNUUQBAF-NRFANRHFSA-N 1 2 364.449 4.217 50 0 FIAALO C[N@@H+]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)c2ccccc2C1 ZINC000103411709 222335419 /nfs/dbraw/zinc/33/54/19/222335419.db2.gz COTJLUZKLUEZMH-UHFFFAOYSA-N 1 2 350.393 4.178 50 0 FIAALO C[N@H+]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)c2ccccc2C1 ZINC000103411709 222335426 /nfs/dbraw/zinc/33/54/26/222335426.db2.gz COTJLUZKLUEZMH-UHFFFAOYSA-N 1 2 350.393 4.178 50 0 FIAALO Cc1nc2c(s1)[C@H](N(C)c1cc(C)[nH+]c(-c3ccncc3)n1)CCC2 ZINC000112081157 222494810 /nfs/dbraw/zinc/49/48/10/222494810.db2.gz BWAMPABDNCZWMS-MRXNPFEDSA-N 1 2 351.479 4.126 50 0 FIAALO Cc1cc(C)[nH+]c(-c2cccc(C(=O)NCCN3CCc4ccccc43)c2)c1 ZINC000299779151 534129344 /nfs/dbraw/zinc/12/93/44/534129344.db2.gz PWKGNWARQHQIHF-UHFFFAOYSA-N 1 2 371.484 4.158 50 0 FIAALO Cc1ccc(-c2cccc(C(=O)N(C)CCCc3[nH+]ccn3C)c2)cc1F ZINC000299783461 534186967 /nfs/dbraw/zinc/18/69/67/534186967.db2.gz UTYVNNQQWKJTDJ-UHFFFAOYSA-N 1 2 365.452 4.239 50 0 FIAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000245237794 525986388 /nfs/dbraw/zinc/98/63/88/525986388.db2.gz XDBXOPBQVMVUPU-BEFAXECRSA-N 1 2 374.937 4.336 50 0 FIAALO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000245237794 525986393 /nfs/dbraw/zinc/98/63/93/525986393.db2.gz XDBXOPBQVMVUPU-BEFAXECRSA-N 1 2 374.937 4.336 50 0 FIAALO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020502470 526191927 /nfs/dbraw/zinc/19/19/27/526191927.db2.gz KAJNQKTWZFGKOA-QPGLYAHGSA-N 1 2 373.500 4.070 50 0 FIAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CCO[C@@H]2CCCC[C@H]2C)o1 ZINC000241466161 526401753 /nfs/dbraw/zinc/40/17/53/526401753.db2.gz NVFIDCDZYXGOLP-UIAACRFSSA-N 1 2 355.482 4.073 50 0 FIAALO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CCO[C@@H]2CCCC[C@H]2C)o1 ZINC000241466161 526401756 /nfs/dbraw/zinc/40/17/56/526401756.db2.gz NVFIDCDZYXGOLP-UIAACRFSSA-N 1 2 355.482 4.073 50 0 FIAALO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H](C)CSc1ccc(F)cc1 ZINC000079068953 527169898 /nfs/dbraw/zinc/16/98/98/527169898.db2.gz WTYHWSHTPBCNTC-AWEZNQCLSA-N 1 2 371.481 4.028 50 0 FIAALO O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000082156309 527340619 /nfs/dbraw/zinc/34/06/19/527340619.db2.gz PZNFVZNZJTVOCN-OAHLLOKOSA-N 1 2 358.873 4.358 50 0 FIAALO CC(C)c1noc([C@H]2CCCC[N@@H+]2Cc2cccc(-n3cccn3)c2)n1 ZINC000299780647 528511414 /nfs/dbraw/zinc/51/14/14/528511414.db2.gz KSANODLCSWABJT-GOSISDBHSA-N 1 2 351.454 4.106 50 0 FIAALO CC(C)c1noc([C@H]2CCCC[N@H+]2Cc2cccc(-n3cccn3)c2)n1 ZINC000299780647 528511420 /nfs/dbraw/zinc/51/14/20/528511420.db2.gz KSANODLCSWABJT-GOSISDBHSA-N 1 2 351.454 4.106 50 0 FIAALO Cc1c2ccccc2oc1C[NH+]1CCN([C@@H]2CCc3ccccc3C2)CC1 ZINC000215524397 568075106 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571294328 /nfs/dbraw/zinc/29/43/28/571294328.db2.gz DLMOOMPKGSSFIW-ZDUSSCGKSA-N 1 2 357.454 4.375 50 0 FIAALO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000253418288 571312671 /nfs/dbraw/zinc/31/26/71/571312671.db2.gz FXKGKYVMQNBOJA-CABCVRRESA-N 1 2 372.350 4.028 50 0 FIAALO Cc1nc(C[NH2+]Cc2c(C)nn(C)c2Cl)oc1-c1ccc(Cl)cc1 ZINC000095410323 571329389 /nfs/dbraw/zinc/32/93/89/571329389.db2.gz DDSIEGGEFJFJEJ-UHFFFAOYSA-N 1 2 365.264 4.289 50 0 FIAALO CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC)s3)c2C1 ZINC000095946519 571332535 /nfs/dbraw/zinc/33/25/35/571332535.db2.gz QEJMZEVWBNIHNQ-UHFFFAOYSA-N 1 2 364.536 4.227 50 0 FIAALO CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(CC)s3)c2C1 ZINC000095946519 571332536 /nfs/dbraw/zinc/33/25/36/571332536.db2.gz QEJMZEVWBNIHNQ-UHFFFAOYSA-N 1 2 364.536 4.227 50 0 FIAALO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)C2 ZINC000096003958 571333782 /nfs/dbraw/zinc/33/37/82/571333782.db2.gz SEKNSJVIKBTGTR-RTWAWAEBSA-N 1 2 373.500 4.313 50 0 FIAALO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](CCc1ccccc1)c1ccccc1)CC2 ZINC000096003958 571333783 /nfs/dbraw/zinc/33/37/83/571333783.db2.gz SEKNSJVIKBTGTR-RTWAWAEBSA-N 1 2 373.500 4.313 50 0 FIAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[N@H+](Cc2ccccc2)C1 ZINC000003029091 571343732 /nfs/dbraw/zinc/34/37/32/571343732.db2.gz ZFEIUWPZEMIBOA-UHFFFAOYSA-N 1 2 350.249 4.301 50 0 FIAALO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[N@@H+](Cc2ccccc2)C1 ZINC000003029091 571343733 /nfs/dbraw/zinc/34/37/33/571343733.db2.gz ZFEIUWPZEMIBOA-UHFFFAOYSA-N 1 2 350.249 4.301 50 0 FIAALO Fc1ccc(OCCSc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000003378391 571348643 /nfs/dbraw/zinc/34/86/43/571348643.db2.gz WHUPNSXNAQDYTB-UHFFFAOYSA-N 1 2 366.421 4.126 50 0 FIAALO C[N@@H+](CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000003588229 571351350 /nfs/dbraw/zinc/35/13/50/571351350.db2.gz BAOSIFFIPLECBA-UHFFFAOYSA-N 1 2 371.695 4.395 50 0 FIAALO C[N@H+](CC(=O)NCc1ccccc1Cl)Cc1ccc(Cl)c(Cl)c1 ZINC000003588229 571351349 /nfs/dbraw/zinc/35/13/49/571351349.db2.gz BAOSIFFIPLECBA-UHFFFAOYSA-N 1 2 371.695 4.395 50 0 FIAALO C[C@@H](NC(=O)c1csc2c1CCCC2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000008012728 571358454 /nfs/dbraw/zinc/35/84/54/571358454.db2.gz DWLWXYDUEVKNJP-CQSZACIVSA-N 1 2 351.475 4.304 50 0 FIAALO