smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC1=NN(c2ccccc2)C(=O)C1=C(C)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000103918165 528065499 /nfs/dbraw/zinc/06/54/99/528065499.db2.gz PNMFXSLVRYVBID-SILNSSARSA-N 1 0 382.552 4.362 40 10 GICBRO C=C1[NH+]=C(SCCCC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408987140 528730242 /nfs/dbraw/zinc/73/02/42/528730242.db2.gz DQUNPMOWUFWNPQ-SFHVURJKSA-N 1 0 375.538 4.123 40 10 GICBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000035322732 570422557 /nfs/dbraw/zinc/42/25/57/570422557.db2.gz UNZAHZWWMSFGAT-HSZRJFAPSA-N 1 0 377.532 4.130 40 10 GICBRO CCOc1ccc(C[NH2+]C2(c3ccc(OC)cc3)CC2)cc1Cn1ccnc1 ZINC000012117038 204372363 /nfs/dbraw/zinc/37/23/63/204372363.db2.gz AENRFUXJWCKBEM-UHFFFAOYSA-N 1 0 377.488 4.118 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057175517 205155139 /nfs/dbraw/zinc/15/51/39/205155139.db2.gz BUBZKCSFTWMVFK-UHFFFAOYSA-N 1 0 379.548 4.061 40 10 GICBRO COc1ccccc1C1(O)CC[NH+](Cc2cc(F)c(N3CCCC3)cc2C)CC1 ZINC000019567060 571008027 /nfs/dbraw/zinc/00/80/27/571008027.db2.gz FFNMTRABRMYMPU-UHFFFAOYSA-N 1 0 398.522 4.227 40 10 GICBRO COc1cccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000036740500 205022323 /nfs/dbraw/zinc/02/23/23/205022323.db2.gz XSUZIGIQBVYVCT-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO COc1cc(N2N=C(C)C(=CNc3ccc4[nH]c(C)[nH+]c4c3)C2=O)ccc1Cl ZINC000408536469 532961017 /nfs/dbraw/zinc/96/10/17/532961017.db2.gz WOFUUSZOBCUXMQ-GDNBJRDFSA-N 1 0 395.850 4.252 40 10 GICBRO CN(C)c1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)c(F)c2)cc1 ZINC000013991169 570868214 /nfs/dbraw/zinc/86/82/14/570868214.db2.gz WJSGKYXSNSZZKN-UHFFFAOYSA-N 1 0 384.474 4.320 40 10 GICBRO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C[N+]#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000004104881 204027546 /nfs/dbraw/zinc/02/75/46/204027546.db2.gz VZJASVVRXMLTSG-MTMZYOSNSA-N 1 0 384.520 4.367 40 10 biogenic,in-vitro GICBRO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000035322730 570422538 /nfs/dbraw/zinc/42/25/38/570422538.db2.gz UNZAHZWWMSFGAT-QHCPKHFHSA-N 1 0 377.532 4.130 40 10 GICBRO Cc1c(C[N@H+](C)Cc2ccccc2N2CCOCC2)ccc(N2CCCC2)c1C ZINC000019715816 571037812 /nfs/dbraw/zinc/03/78/12/571037812.db2.gz CRBJDNBLSNCMIS-UHFFFAOYSA-N 1 0 393.575 4.372 40 10 GICBRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(N3CCCC3)c(C)c2)CC1 ZINC000012328211 204398633 /nfs/dbraw/zinc/39/86/33/204398633.db2.gz FFDXFWANUMRQLK-UHFFFAOYSA-N 1 0 380.532 4.087 40 10 GICBRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(C[NH2+]CCc3ccc(O)cc3)cc1OC2(C)C ZINC000257290568 206173679 /nfs/dbraw/zinc/17/36/79/206173679.db2.gz QDLJNUSFJGODJE-OFSQETHSSA-N 1 0 397.515 4.457 40 10 GICBRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c(ccc5ccccc45)o3)cc2)CC1 ZINC000218503115 536421080 /nfs/dbraw/zinc/42/10/80/536421080.db2.gz ICEVYNAVIOJKLX-UHFFFAOYSA-N 1 0 399.494 4.268 40 10 GICBRO COc1ccccc1C=c1sc2[s+]cc(-c3cccc([N+](=O)[O-])c3)n2c1=O ZINC000016958316 570935769 /nfs/dbraw/zinc/93/57/69/570935769.db2.gz QNNDGMQHGWTLRO-YVLHZVERSA-N 1 0 397.457 4.406 40 10 GICBRO Cc1ccc([C@H]2[C@H]([NH2+]Cc3cc(C)ccc3O)CCCN2C(=O)C2CC2)s1 ZINC000019133627 207104623 /nfs/dbraw/zinc/10/46/23/207104623.db2.gz VLWPDYWHGCJLGO-WIYYLYMNSA-N 1 0 384.545 4.302 40 10 GICBRO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000019240082 207111272 /nfs/dbraw/zinc/11/12/72/207111272.db2.gz HDIZMTNTANLJFV-HXUWFJFHSA-N 1 0 399.585 4.423 40 10 GICBRO CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(N)ccc32)cc1 ZINC000004809430 570407080 /nfs/dbraw/zinc/40/70/80/570407080.db2.gz CQFJFCMYVJHOHE-UHFFFAOYSA-N 1 0 378.457 4.085 40 10 GICBRO COc1ccccc1C1([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000012328359 570643693 /nfs/dbraw/zinc/64/36/93/570643693.db2.gz VMIDBPGORNIVNN-UHFFFAOYSA-N 1 0 384.495 4.230 40 10 GICBRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cc(C(C)C)ccc2O)CC1 ZINC000012344835 570645153 /nfs/dbraw/zinc/64/51/53/570645153.db2.gz LOUWQIIPJYQYQM-UHFFFAOYSA-N 1 0 384.495 4.282 40 10 GICBRO COc1ccccc1-n1c(C)cc(CN(CC[NH+](C)C)Cc2cccnc2)c1C ZINC000019567585 207135635 /nfs/dbraw/zinc/13/56/35/207135635.db2.gz JDYFIBKBTMTKKB-UHFFFAOYSA-N 1 0 392.547 4.062 40 10 GICBRO Cc1cc(CN(CC[NH+](C)C)Cc2cccnc2)c(C)n1-c1ccccc1F ZINC000019567577 207137248 /nfs/dbraw/zinc/13/72/48/207137248.db2.gz RIIWAUHVJFVNRD-UHFFFAOYSA-N 1 0 380.511 4.192 40 10 GICBRO COc1cccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000036740554 570569439 /nfs/dbraw/zinc/56/94/39/570569439.db2.gz YLCLGHMDNZAUGM-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO CCOc1cccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000013992670 570868984 /nfs/dbraw/zinc/86/89/84/570868984.db2.gz VYRAYTMXGGJKAE-UHFFFAOYSA-N 1 0 397.563 4.497 40 10 GICBRO CN(C)c1ccc(C[NH+]2CCC(n3c4cc(Cl)ccc4oc3=O)CC2)cc1 ZINC000012143885 570615216 /nfs/dbraw/zinc/61/52/16/570615216.db2.gz AJLMUOGJOKULRI-UHFFFAOYSA-N 1 0 385.895 4.151 40 10 GICBRO CC1CCN([C@H](c2nnnn2C2CCCCC2)c2ccc(N(C)C)cc2)CC1 ZINC000004847685 570412156 /nfs/dbraw/zinc/41/21/56/570412156.db2.gz UEJUBCPLBNZMBW-NRFANRHFSA-N 1 0 382.556 4.066 40 10 GICBRO O=c1oc2ccccc2n1C1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC000012143883 570615236 /nfs/dbraw/zinc/61/52/36/570615236.db2.gz CYMVQCIDMILCLA-UHFFFAOYSA-N 1 0 377.488 4.032 40 10 GICBRO COc1cc(N2CCOCC2)ccc1C[NH2+]C1(c2ccccc2F)CCCC1 ZINC000019549989 207130032 /nfs/dbraw/zinc/13/00/32/207130032.db2.gz VIIKJGFKOLCMIE-UHFFFAOYSA-N 1 0 384.495 4.230 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000223658265 570477054 /nfs/dbraw/zinc/47/70/54/570477054.db2.gz AQDIVGGXTHBFKF-UHFFFAOYSA-N 1 0 397.538 4.200 40 10 GICBRO Cc1cnc(-c2nc(C3CC[NH+](Cc4cc(C(C)C)ccc4O)CC3)no2)cn1 ZINC000012187359 570621418 /nfs/dbraw/zinc/62/14/18/570621418.db2.gz YAMQNWNEMJMKPJ-UHFFFAOYSA-N 1 0 393.491 4.044 40 10 GICBRO O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013670350 526680875 /nfs/dbraw/zinc/68/08/75/526680875.db2.gz SZMARPWJDNOETG-UHFFFAOYSA-N 1 0 377.532 4.203 40 10 GICBRO NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3cc(Cl)ccc32)cc1 ZINC000005389939 570437107 /nfs/dbraw/zinc/43/71/07/570437107.db2.gz RAXCZVLATPROIR-UHFFFAOYSA-N 1 0 383.860 4.432 40 10 GICBRO COc1ccc(O)c(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740536 570569277 /nfs/dbraw/zinc/56/92/77/570569277.db2.gz INBSYALUAZSWPG-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO COc1ccc(O)c(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740499 570569547 /nfs/dbraw/zinc/56/95/47/570569547.db2.gz YUDJSMZPPRXESN-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO CC(C)N1CCc2cc(C[NH+]3CCC(c4cc5nccnc5[nH]4)CC3)ccc21 ZINC000057774788 570703455 /nfs/dbraw/zinc/70/34/55/570703455.db2.gz KVPBLXOZTYDIBM-UHFFFAOYSA-N 1 0 375.520 4.108 40 10 GICBRO CC(C)c1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000225775679 570616432 /nfs/dbraw/zinc/61/64/32/570616432.db2.gz NQUWVJQCQJWILY-UHFFFAOYSA-N 1 0 382.577 4.048 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000225248105 570559486 /nfs/dbraw/zinc/55/94/86/570559486.db2.gz SJBSKPYCSHXXFU-UHFFFAOYSA-N 1 0 397.538 4.200 40 10 GICBRO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C[N+]#N)[C@@]4(C)CC[C@H]32)C1 ZINC000004104880 290684009 /nfs/dbraw/zinc/68/40/09/290684009.db2.gz VZJASVVRXMLTSG-UMDFJOQQSA-N 1 0 384.520 4.367 40 10 biogenic,in-vitro GICBRO C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(C[NH2+]Cc3ccc(CO)cc3)cc1OC2(C)C ZINC000257231407 212007481 /nfs/dbraw/zinc/00/74/81/212007481.db2.gz GGOHCORYGHIVKB-OFSQETHSSA-N 1 0 397.515 4.202 40 10 GICBRO Cc1c(/C=C/c2cccc[n+]2C)c2ccccc2n1CC(=O)N1CCCCCC1 ZINC000004933041 570649683 /nfs/dbraw/zinc/64/96/83/570649683.db2.gz GIGKOFGGPOCICU-UHFFFAOYSA-N 1 0 388.535 4.347 40 10 GICBRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(N3CCCC3)c(C)c2C)CC1 ZINC000019577302 210267749 /nfs/dbraw/zinc/26/77/49/210267749.db2.gz XGDLPBWBTAHZSF-UHFFFAOYSA-N 1 0 394.559 4.396 40 10 GICBRO O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000013669483 210076036 /nfs/dbraw/zinc/07/60/36/210076036.db2.gz PEBGIDPMGSNQCM-UHFFFAOYSA-N 1 0 377.532 4.203 40 10 GICBRO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000000819223 209189681 /nfs/dbraw/zinc/18/96/81/209189681.db2.gz BFPAKPFJQLFGRV-UHFFFAOYSA-N 1 0 386.923 4.306 40 10 GICBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(NC(C)=O)C=CC2=O)cc1 ZINC000004769352 570404631 /nfs/dbraw/zinc/40/46/31/570404631.db2.gz MASHXKWLPWHOKQ-WCWDXBQESA-N 1 0 398.463 4.265 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000223661238 570477575 /nfs/dbraw/zinc/47/75/75/570477575.db2.gz HQVKDYGQYJIROW-UHFFFAOYSA-N 1 0 379.548 4.449 40 10 GICBRO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2ccc(N3CCOCC3)cc2)n1 ZINC000019240083 210236403 /nfs/dbraw/zinc/23/64/03/210236403.db2.gz HDIZMTNTANLJFV-FQEVSTJZSA-N 1 0 399.585 4.423 40 10 GICBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(NC(C)=O)C=CC2=O)cc1 ZINC000104345676 570301508 /nfs/dbraw/zinc/30/15/08/570301508.db2.gz MASHXKWLPWHOKQ-VHXPQNKSSA-N 1 0 398.463 4.265 40 10 GICBRO COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(O)c1 ZINC000036740535 570569130 /nfs/dbraw/zinc/56/91/30/570569130.db2.gz SOPMXGITNUNKHO-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO COc1ccccc1C=c1sc2[s+]cc(-c3cccc([N+](=O)[O-])c3)n2c1=O ZINC000001636021 209335208 /nfs/dbraw/zinc/33/52/08/209335208.db2.gz QNNDGMQHGWTLRO-LICLKQGHSA-N 1 0 397.457 4.406 40 10 GICBRO Oc1c([C@@H](c2ccccn2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21 ZINC000020192739 210322925 /nfs/dbraw/zinc/32/29/25/210322925.db2.gz AYIKXKPLKBCPFA-DEOSSOPVSA-N 1 0 396.494 4.247 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000224202231 570503361 /nfs/dbraw/zinc/50/33/61/570503361.db2.gz LAMWKKSSVBOSEM-NRFANRHFSA-N 1 0 397.538 4.200 40 10 GICBRO COc1ccc(C[NH2+]C2(c3ccccc3F)CCCC2)cc1CN1CCOCC1 ZINC000012292853 570633707 /nfs/dbraw/zinc/63/37/07/570633707.db2.gz WEZQBAXDRHSCDW-UHFFFAOYSA-N 1 0 398.522 4.226 40 10 GICBRO CC1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccc(N(C)C)cc2)CC1 ZINC000004847686 570411969 /nfs/dbraw/zinc/41/19/69/570411969.db2.gz UEJUBCPLBNZMBW-OAQYLSRUSA-N 1 0 382.556 4.066 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000224202174 570503419 /nfs/dbraw/zinc/50/34/19/570503419.db2.gz LAMWKKSSVBOSEM-OAQYLSRUSA-N 1 0 397.538 4.200 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000225286793 570561769 /nfs/dbraw/zinc/56/17/69/570561769.db2.gz ZVYMMWDLDHLXEU-UHFFFAOYSA-N 1 0 393.575 4.370 40 10 GICBRO COc1ccc(O)c(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000036740553 570569306 /nfs/dbraw/zinc/56/93/06/570569306.db2.gz XTVNMKUGJWDLJO-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000225780542 570616763 /nfs/dbraw/zinc/61/67/63/570616763.db2.gz QOUFHMKLJOMOIE-UHFFFAOYSA-N 1 0 393.575 4.370 40 10 GICBRO COc1ccc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3OC)CCCC2)cc1 ZINC000012292848 570633738 /nfs/dbraw/zinc/63/37/38/570633738.db2.gz PFLPOVWHNRNUID-UHFFFAOYSA-N 1 0 396.531 4.100 40 10 GICBRO COc1ccc(C2([NH2+]Cc3ccc(OC)c(Cn4nc(C)cc4C)c3)CC2)cc1 ZINC000012238649 221171490 /nfs/dbraw/zinc/17/14/90/221171490.db2.gz FHIIXWRPPDMBHF-UHFFFAOYSA-N 1 0 391.515 4.344 40 10 GICBRO CCOc1cccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000013992722 221295233 /nfs/dbraw/zinc/29/52/33/221295233.db2.gz CUUMWAUYXHBFNO-UHFFFAOYSA-N 1 0 397.563 4.497 40 10 GICBRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000216927551 136203117 /nfs/dbraw/zinc/20/31/17/136203117.db2.gz YZMGVMADBYMYDH-NTEUORMPSA-N 1 0 391.559 4.066 40 10 GICBRO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)C[N+]#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000004104883 560197049 /nfs/dbraw/zinc/19/70/49/560197049.db2.gz VZJASVVRXMLTSG-RTUCGJEGSA-N 1 0 384.520 4.367 40 10 biogenic,in-vitro GICBRO COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CC[C@@H](C)O)c2c1 ZINC000006491718 570481374 /nfs/dbraw/zinc/48/13/74/570481374.db2.gz RYAXTIKEXIPLPG-CQSZACIVSA-N 1 0 387.911 4.213 40 10 GICBRO COc1cccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000036740537 570569385 /nfs/dbraw/zinc/56/93/85/570569385.db2.gz IZCATTLGRIMUBI-UHFFFAOYSA-N 1 0 383.536 4.107 40 10 GICBRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC000030756122 570495265 /nfs/dbraw/zinc/49/52/65/570495265.db2.gz NJASLSXQQMIFBW-UHFFFAOYSA-N 1 0 391.559 4.449 40 10 GICBRO C[NH+](C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(C[NH+](C)C)c2O)c1[O-] ZINC000001671245 212254637 /nfs/dbraw/zinc/25/46/37/212254637.db2.gz REEOIFCSJWJBJO-UHFFFAOYSA-N 1 0 383.319 4.119 40 10 GICBRO CCOc1cccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1O ZINC000012118178 221153218 /nfs/dbraw/zinc/15/32/18/221153218.db2.gz QZXXURFHYFGMQN-UHFFFAOYSA-N 1 0 397.563 4.497 40 10 GICBRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1Cn1ccnc1 ZINC000012128430 221156079 /nfs/dbraw/zinc/15/60/79/221156079.db2.gz FOUCUWPDNNNKLC-SIKLNZKXSA-N 1 0 394.519 4.128 40 10 GICBRO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1N1CCCC1 ZINC000012135164 221157001 /nfs/dbraw/zinc/15/70/01/221157001.db2.gz WRHUIALKSKNVRO-OFFJZUQKSA-N 1 0 391.559 4.110 40 10 GICBRO CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)C[N+]#N)[C@@]4(C)CC[C@H]32)C1 ZINC000004104882 560197046 /nfs/dbraw/zinc/19/70/46/560197046.db2.gz VZJASVVRXMLTSG-DRNGZOKYSA-N 1 0 384.520 4.367 40 10 biogenic,in-vitro GICBRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000020462560 570260969 /nfs/dbraw/zinc/26/09/69/570260969.db2.gz MZQPOWJBUUEIPL-HXUWFJFHSA-N 1 0 391.559 4.449 40 10 GICBRO c1coc(C[N@H+](Cc2ccncc2)C2CCN(c3ccc4c(c3)OCO4)CC2)c1 ZINC000019342299 570976967 /nfs/dbraw/zinc/97/69/67/570976967.db2.gz BZLGMUGGJGZOIB-UHFFFAOYSA-N 1 0 391.471 4.075 40 10 GICBRO Cc1cc(N2CCCC2)c(C)cc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715742 571037957 /nfs/dbraw/zinc/03/79/57/571037957.db2.gz LJRBNPBMFXXABV-UHFFFAOYSA-N 1 0 393.575 4.372 40 10 GICBRO Oc1c([C@H](c2ccccn2)[NH+]2CCN(c3ccccc3)CC2)ccc2cccnc21 ZINC000020192738 570246678 /nfs/dbraw/zinc/24/66/78/570246678.db2.gz AYIKXKPLKBCPFA-XMMPIXPASA-N 1 0 396.494 4.247 40 10 GICBRO C[NH+](C)CCNC(=O)c1cccc2nc3c4ccccc4c4ccccc4c3nc21 ZINC000005808525 570457465 /nfs/dbraw/zinc/45/74/65/570457465.db2.gz ZWBMWGCHEXXUPK-UHFFFAOYSA-N 1 0 394.478 4.381 40 10 GICBRO Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000409107478 231162766 /nfs/dbraw/zinc/16/27/66/231162766.db2.gz VZSXVRHDXGGPNJ-YBFXNURJSA-N 1 0 392.846 4.240 40 10 GICBRO COc1ccccc1C1([NH2+]Cc2ccc(N3CCOCC3)cc2OC)CCCC1 ZINC000012292846 221176134 /nfs/dbraw/zinc/17/61/34/221176134.db2.gz NCQIGOCWWWCXOS-UHFFFAOYSA-N 1 0 396.531 4.100 40 10 GICBRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000020462562 570260945 /nfs/dbraw/zinc/26/09/45/570260945.db2.gz MZQPOWJBUUEIPL-FQEVSTJZSA-N 1 0 391.559 4.449 40 10 GICBRO CCN(CC)c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000224165626 570501856 /nfs/dbraw/zinc/50/18/56/570501856.db2.gz HZKAYAZLHHVLPN-UHFFFAOYSA-N 1 0 393.575 4.370 40 10 GICBRO C=C1[NH+]=C(SCCCC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408987139 528729976 /nfs/dbraw/zinc/72/99/76/528729976.db2.gz DQUNPMOWUFWNPQ-GOSISDBHSA-N 1 0 375.538 4.123 40 10 GICBRO CCOc1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000059488426 570658224 /nfs/dbraw/zinc/65/82/24/570658224.db2.gz NSLQBCNYXDFJER-LGMDPLHJSA-N 1 0 376.547 4.120 40 10 GICBRO