smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=CC[C@H](CC)CCl	306311114	BZEOJJOYQNPZEU-ZETCQYMHSA-N	132.634	2.828	50	20	AFGD	
CCC[C@H](F)CBr	137137466	JMDKPRAXSHPFTE-YFKPBYRVSA-N	169.037	2.520	50	20	AFGD	
C=CC[C@@]1(CCl)CCCCO1	306304117	HXWJEETZMQLZCQ-VIFPVBQESA-N	174.671	2.741	50	20	AFGD	
CC1(CCBr)CCC1	1537963120	VFBKDRMORUODOO-UHFFFAOYSA-N	177.085	2.962	50	20	AFGD	
COCC[C@H](C)[C@H](C)CCl	163191852	UQVDWZHTUAGFAR-JGVFFNPUSA-N	164.676	2.534	50	20	AFGD	
ClCc1cccc2ncoc12	299889609	LSHRXGFOBDVMPE-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
Cc1cc(C)cc(/C=C/C=O)c1	41167561	QEEXMMMSNIJBHP-ONEGZZNKSA-N	160.216	2.516	50	20	AFGD	
CC[C@@H](C)[C@@]1(CCl)CCOC1	87176861	CSIJTLAQFXMDBL-RKDXNWHRSA-N	176.687	2.678	50	20	AFGD	
CCSCCCCBr	35321650	UIJKTMSPDWJMLJ-UHFFFAOYSA-N	197.141	2.915	50	20	AFGD	
CC1(C)C[C@@H](CCl)C(C)(C)O1	86928428	ZOHQEJCHYWGFMN-ZETCQYMHSA-N	176.687	2.819	50	20	AFGD	
CC[C@@H](C[C@H](C)CCl)OC	306662223	TTXSZOLYLHBMIF-YUMQZZPRSA-N	164.676	2.676	50	20	AFGD	
BrCC[C@H]1C[C@H]1C1CC1	237983114	RBLRGZIBVFJYMW-YUMQZZPRSA-N	189.096	2.818	50	20	AFGD	
CC(C)[C@]1(CCl)CCCOC1	227916122	QSVRZQIOTXETDF-VIFPVBQESA-N	176.687	2.678	50	20	AFGD	
CCC(=NNC(=O)CC(C)C)C(C)C	916342885	SRGQBHZTCAMYBR-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CC[C@H]1CC[C@H](C)N1C(=O)Cl	136772726	XDXYOMLALNQELX-BQBZGAKWSA-N	175.659	2.608	50	20	AFGD	
N[C@H](CCl)c1ccccc1Cl	409439300	GQMKETXJPVKCBH-MRVPVSSYSA-N	190.073	2.579	50	20	AFGD	
CC[C@@H]1CC[C@@H](C)N1C(=O)Cl	136772762	XDXYOMLALNQELX-RNFRBKRXSA-N	175.659	2.608	50	20	AFGD	
CCC(CC)CN1CC=C(C#N)CC1	851884649	UBLXBKXXKKYQJG-UHFFFAOYSA-N	192.306	2.578	50	20	AFGD	
ClCCCOC1CCCC1	19415686	OLVORCJYEAXYAL-UHFFFAOYSA-N	162.660	2.575	50	20	AFGD	
CO[C@H]1CCCC[C@@H]1CCCl	238345878	ZXOPRCWBBROGLW-BDAKNGLRSA-N	176.687	2.821	50	20	AFGD	
C[C@@H]1[C@](F)(Cl)[C@@]1(C)CCl	238470374	UVXJGZYIXRDVNH-HCWXCVPCSA-N	171.042	2.786	50	20	AFGD	
CC(C)Oc1ccccc1/C=C/C=O	86207887	ZKYQVSMYAHVTHV-FNORWQNLSA-N	190.242	2.686	50	20	AFGD	
CC[C@H](C)[C@]1(CCl)CCCO1	306304727	IOVLMWPPXYMLPN-DTWKUNHWSA-N	176.687	2.821	50	20	AFGD	
Cc1nc(C(C)C)oc1CCl	238850497	BXLIOMMDBGHAAN-UHFFFAOYSA-N	173.643	2.845	50	20	AFGD	in-vitro
C[C@@H]1OCC[C@]1(CCl)C1CCC1	127441961	IIJBIQPZPTWXJJ-WCBMZHEXSA-N	188.698	2.821	50	20	AFGD	
CC(C)(CBr)C1CC1	164730068	UQAGMDJNYSNMPF-UHFFFAOYSA-N	177.085	2.818	50	20	AFGD	
C[C@@H](CCl)COC(C)(C)C	70024338	LDYKXUGMAGABHG-ZETCQYMHSA-N	164.676	2.676	50	20	AFGD	
CC(C)(C)[C@H]1C[C@@H]1Br	140831753	TZLAVHKVJGZQJP-WDSKDSINSA-N	177.085	2.816	50	20	AFGD	
C[C@@H](CCl)Cc1ccoc1	82764842	IKMNUJCMHOXJKV-SSDOTTSWSA-N	158.628	2.697	50	20	AFGD	
CC[C@@H](CCl)CCCOC	85045235	YKLFKXVTZXMNAT-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
COC[C@H](C)C(C)(C)CCl	128489996	XVARQVNXEZKXOK-ZETCQYMHSA-N	164.676	2.534	50	20	AFGD	
CC[C@@H](C)CCOC(=O)Cl	144021017	ZSEUJMFAOMCZEP-ZCFIWIBFSA-N	164.632	2.798	50	20	AFGD	
Cc1nc(CCCCl)sc1C	87396918	SJOWLRBHTPGPCX-UHFFFAOYSA-N	189.711	2.931	50	20	AFGD	
COCC1(CCl)CCCCC1	157457209	XRILSNCXRFGJDP-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
C=CC[C@]1(CCl)CCO[C@H]1C	306613982	ABPBXFIICMCXQO-DTWKUNHWSA-N	174.671	2.597	50	20	AFGD	
C=CCCC(C)(C)[S@](=O)Cl	97972408	LZCPCZMHNIUFPY-SNVBAGLBSA-N	180.700	2.634	50	20	AFGD	
CC(C)(C)OCC1(CCl)CC1	307673894	AJVYHKHLBCILOT-UHFFFAOYSA-N	176.687	2.821	50	20	AFGD	
ClC[C@]1(C2CCC2)CCCOC1	300365258	QNRYXSYKBSDAHE-SNVBAGLBSA-N	188.698	2.822	50	20	AFGD	
C#CC1(OC(=O)Cl)CCCCC1	716355699	JLMALVVNPKPYOV-UHFFFAOYSA-N	186.638	2.698	50	20	AFGD	
CCC[C@@]1(CCl)CCO[C@@H]1C	127437410	VGTANZKONZTQAM-BDAKNGLRSA-N	176.687	2.821	50	20	AFGD	
CC[C@H](CCl)C[C@@H]1CCCO1	83822216	OXBBISFBKVHAMC-IUCAKERBSA-N	176.687	2.821	50	20	AFGD	
C[C@H]1OCC[C@@]1(CCl)C1CCC1	127442148	IIJBIQPZPTWXJJ-SCZZXKLOSA-N	188.698	2.821	50	20	AFGD	
C=C(C)C[C@@H](F)CBr	585142552	KMWXJIYMNOZBEY-ZCFIWIBFSA-N	181.048	2.686	50	20	AFGD	
COCCCC(C)(C)CCl	85042799	KDQGCAMQZQNZFC-UHFFFAOYSA-N	164.676	2.678	50	20	AFGD	
CCOCCC(C)(C)CCl	85042786	DPCSUSCGYVLYRS-UHFFFAOYSA-N	164.676	2.678	50	20	AFGD	
CO[C@H]1CCC[C@H]1C1(CCl)CC1	307627707	VQKFXBUOKDDRRJ-BDAKNGLRSA-N	188.698	2.821	50	20	AFGD	
CC(C)[C@H](C)[C@@]1(CCl)CCOC1	306347196	CWVYUIOWUWPZCO-VHSXEESVSA-N	190.714	2.924	50	20	AFGD	
O=C/C=C/c1ccccc1OC(F)F	86207954	TVXZSURJLNBBFS-HWKANZROSA-N	198.168	2.500	50	20	AFGD	
COC[C@@]1(CCl)C[C@H]2CC[C@H]1C2	252790303	SIGFGVTXCPEIOM-GUBZILKMSA-N	188.698	2.678	50	20	AFGD	
CCC(=NNC(=O)[C@H](C)CC)C(C)C	915974428	LDDRMNPEZXMVOP-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
CC(C)(CBr)C(F)F	409426676	RQDSYRBMGWEUML-UHFFFAOYSA-N	187.027	2.673	50	20	AFGD	
CCCCCC=NNC(=O)[C@H](C)CC	755650091	GJDGWVCZUHEENH-SNVBAGLBSA-N	198.310	2.715	50	20	AFGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C/C=O)o1	86207830	AFSVDTUMQPKXAA-DWNUIHGBSA-N	176.215	2.615	50	20	AFGD	
CCC1(C)CCC(=NNC(=O)O)CC1	829043603	BWMWCYDJRSQSKX-UHFFFAOYSA-N	198.266	2.600	50	20	AFGD	
CC[C@H](C)C(=O)NN=CCC(C)(C)C	755649149	BCIZFAVVTSZZBY-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
CCc1[nH]nc(C(C)C)c1CCl	409441687	SPFBDXDYFVOJJC-UHFFFAOYSA-N	186.686	2.834	50	20	AFGD	
CC[C@H](C)C(=O)NN=CCCC(C)C	814810125	ZINTUYWMQKYPFH-JTQLQIEISA-N	198.310	2.571	50	20	AFGD	
C[C@H]1CCCC[C@@H]1OC(=O)Cl	167057110	RKEOVSXUOPSKEM-BQBZGAKWSA-N	176.643	2.941	50	20	AFGD	
Cc1[nH]nc(C2CCC2)c1CCCl	409442382	ZEOXPOXUMBKKQD-UHFFFAOYSA-N	198.697	2.767	50	20	AFGD	
CC(C)OCCCCBr	36949718	WPMITPIOKXNEQI-UHFFFAOYSA-N	195.100	2.587	50	20	AFGD	
C[C@@H](CCl)CC[C@H]1CCCO1	82764854	QRPFJFIVUMHCHI-RKDXNWHRSA-N	176.687	2.821	50	20	AFGD	
CC1CCC(N(C)C(=O)Cl)CC1	86894055	SDWSCKNJTUHQGD-UHFFFAOYSA-N	189.686	2.856	50	20	AFGD	
BrC1[C@@H]2CCCC[C@@H]12	100051172	LOOMTCQZRVQSSA-PHDIDXHHSA-N	175.069	2.570	50	20	AFGD	
CCCOCC[C@@H](C)CCl	86529748	HXFLHOSIGLIQCT-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
CC[C@@H]1CCCN(C(=O)Cl)CC1	86894385	FVPVFNQQGAENHG-MRVPVSSYSA-N	189.686	2.857	50	20	AFGD	
C[C@H]1CC[C@H](CC2(CCl)CC2)O1	232061196	LFKVJRNOWFAVTJ-DTWKUNHWSA-N	188.698	2.963	50	20	AFGD	
C=C(C)C[C@H](F)CBr	585142551	KMWXJIYMNOZBEY-LURJTMIESA-N	181.048	2.686	50	20	AFGD	
ClCc1ccnn1-c1ccccc1	253579421	ZPPKILBAPBMQFT-UHFFFAOYSA-N	192.649	2.611	50	20	AFGD	
N#CC=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2	1857776887	NHZXMVAENZWIOM-DTIDVZRVSA-N	173.259	2.892	50	20	AFGD	
Cc1sccc1CCl	34200502	VUDVWIGCSZIPNY-UHFFFAOYSA-N	146.642	2.795	50	20	AFGD	
ClCCNc1ccccc1Cl	49806535	GRVAJKVUKREBRG-UHFFFAOYSA-N	190.073	2.991	50	20	AFGD	
CC[C@@H](C)[C@@]1(CCl)CCCO1	306304726	IOVLMWPPXYMLPN-BDAKNGLRSA-N	176.687	2.821	50	20	AFGD	
ClCC1(C[C@H]2CCOC2)CCC1	307234025	RENUYFKHHCLOFA-SECBINFHSA-N	188.698	2.822	50	20	AFGD	
BrCC1CC(C2CC2)C1	536955522	QGZMBLPHXITEQW-UHFFFAOYSA-N	189.096	2.818	50	20	AFGD	
CCOCCC[C@H](C)CCl	84141756	FOJLNCZSVVJJHZ-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
ClC[C@@H]1OCCc2ccccc21	27577100	VTCMUNVGKYWYIJ-JTQLQIEISA-N	182.650	2.539	50	20	AFGD	
O=C(Cl)N1CCC[C@@H]2CCC[C@H]21	86894412	GNTCZVUWCNODGO-JGVFFNPUSA-N	187.670	2.610	50	20	AFGD	
Fc1ccc(OCCl)c(F)c1	86491077	JYWANJPMQXPUCJ-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
Cc1coc([C@H](Cl)C(C)C)n1	584880734	CLTTZPXOBSGCLS-SSDOTTSWSA-N	173.643	2.919	50	20	AFGD	
ClCc1ccc2ocnc2c1	88189742	UMSZCOKIZOCLDM-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
C=C(Cc1ccccc1)C(=O)Cl	145723715	YCFZIXJSTKYAGP-UHFFFAOYSA-N	180.634	2.551	50	20	AFGD	
COc1ccc2c(c1)C[C@H](Cl)CC2	123476580	QHZASPIOAGSNNO-SNVBAGLBSA-N	196.677	2.791	50	20	AFGD	
Cc1cc(CBr)cs1	145822841	VZLAWFMOQPYADY-UHFFFAOYSA-N	191.093	2.951	50	20	AFGD	
CO[C@@H]1CCC[C@@H]1[C@H](C)CCl	307716735	LFNJQVCQQYCCFA-IWSPIJDZSA-N	176.687	2.676	50	20	AFGD	
O=C/C=C/c1cc(Cl)cs1	86335043	FDKCOJZACLCYKC-OWOJBTEDSA-N	172.636	2.614	50	20	AFGD	
C[C@H](CCl)CC(F)(F)F	307241986	RQYXUYMTXLCIRB-BYPYZUCNSA-N	160.566	2.814	50	20	AFGD	
CC[C@@H](CCl)C[C@@H]1CCCO1	83822217	OXBBISFBKVHAMC-BDAKNGLRSA-N	176.687	2.821	50	20	AFGD	
CCOCC[C@H](CC)CCl	78750150	HKWCUBMQOVYNDV-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
CC(C)(CCl)C1CC1	164692493	GORCNKOEGUZGON-UHFFFAOYSA-N	132.634	2.661	50	20	AFGD	
CCC[C@]1(CCl)CCO[C@@H]1C	127437172	VGTANZKONZTQAM-RKDXNWHRSA-N	176.687	2.821	50	20	AFGD	
CC[C@@H](C)CC=NNC(=O)C(C)(C)C	834940287	BVFDQIHXJGVMBJ-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
C[C@@H]1CC[C@@H](CCCCl)O1	231978941	AURXMLRTMJFJEG-HTQZYQBOSA-N	162.660	2.573	50	20	AFGD	
C[C@H]1CC[C@](C=O)(CCCl)C1	307651180	LIXIYKHJZNNNBA-IUCAKERBSA-N	174.671	2.621	50	20	AFGD	
CC(C)OCC[C@H](C)CCl	85044144	WTLANTCXMDFSDP-QMMMGPOBSA-N	164.676	2.676	50	20	AFGD	
CO[C@H]1CCCC[C@H]1CCCl	238346839	ZXOPRCWBBROGLW-IUCAKERBSA-N	176.687	2.821	50	20	AFGD	
COC[C@@](C)(CCl)C(C)C	157468177	LGPACPHTFGCWIB-MRVPVSSYSA-N	164.676	2.534	50	20	AFGD	
CC[C@@H](CCl)COC(C)C	307637385	YMVRVEPVUIPNQS-QMMMGPOBSA-N	164.676	2.676	50	20	AFGD	
Cc1ccc(C#N)cc1CCl	104728145	MTQQNBFEIVZUIB-UHFFFAOYSA-N	165.623	2.606	50	20	AFGD	
C[C@@H](Br)CC1CC1	116881206	SZNCNIHVINUCML-RXMQYKEDSA-N	163.058	2.570	50	20	AFGD	
Fc1cccc(OCCl)c1F	86491199	CQCISJXNGWFMSX-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
CCc1cccc(OC(=O)Cl)c1	167062659	ODAVXPFYLQVHJM-UHFFFAOYSA-N	184.622	2.987	50	20	AFGD	
CC[C@H](CCCBr)OC	216013315	KAJAIOBPPXAUIM-SSDOTTSWSA-N	195.100	2.587	50	20	AFGD	
O=C(Cl)Oc1cccc(F)c1F	167072948	IUSYIPWZPSPTSL-UHFFFAOYSA-N	192.548	2.702	50	20	AFGD	
Cc1csc(SC/C=C\C#N)n1	308176133	ZFVPNWKJAGNIFE-IHWYPQMZSA-N	196.300	2.623	50	20	AFGD	
CC[C@@H](CCCBr)OC	216013275	KAJAIOBPPXAUIM-ZETCQYMHSA-N	195.100	2.587	50	20	AFGD	
N[C@H](CCl)c1cccc(Cl)c1	409438093	CAVBGKSDRCVKAC-MRVPVSSYSA-N	190.073	2.579	50	20	AFGD	
CC[C@H](C)CCOC(=O)Cl	144021202	ZSEUJMFAOMCZEP-LURJTMIESA-N	164.632	2.798	50	20	AFGD	
CCCCC(C)=NNC(=O)[C@@H](C)CC	915973571	ALUBYMMQLQQQCU-VIFPVBQESA-N	198.310	2.715	50	20	AFGD	
CN(C)c1ccc(F)cc1CCl	37235531	NQHYXVBCMUWOGJ-UHFFFAOYSA-N	187.645	2.631	50	20	AFGD	
Cc1ccc(F)c(OC(=O)Cl)c1	167076091	GPZFUWYUVVFOBS-UHFFFAOYSA-N	188.585	2.872	50	20	AFGD	
Cc1ccc(OCCl)cc1F	226417164	UDHGODPTLVUROV-UHFFFAOYSA-N	174.602	2.709	50	20	AFGD	
CC(C)c1ccnc(CCl)c1	104688287	LIEKQWSUZPSWIE-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
COC[C@@H](CCl)CC(C)C	157459765	AOEHFGSEWAMFRE-MRVPVSSYSA-N	164.676	2.534	50	20	AFGD	
C=CC[C@]1(CCl)CCCCO1	306304115	HXWJEETZMQLZCQ-SECBINFHSA-N	174.671	2.741	50	20	AFGD	
O[C@@H](CCl)c1cc2ccccc2o1	167081670	CDHCVIVEPPHYOH-QMMMGPOBSA-N	196.633	2.705	50	20	AFGD	
CO[C@H](C)CC(C)(C)CCl	167702635	JTILEUGUKAJDSI-SSDOTTSWSA-N	164.676	2.676	50	20	AFGD	
ClC[C@]1(C2CCC2)CCCCO1	306263272	CLOLWUHUNXFUOC-JTQLQIEISA-N	188.698	2.965	50	20	AFGD	
CC(C)C[C@@H](C#N)O[Si](C)(C)C	169925865	KNQADDZAKRMGAT-VIFPVBQESA-N	185.343	2.776	50	20	AFGD	in-vitro
CC[C@H](C[C@@H](C)CCl)OC	306662220	TTXSZOLYLHBMIF-HTQZYQBOSA-N	164.676	2.676	50	20	AFGD	
ClC[C@]1(C2CCCC2)CCCO1	306347992	FSLIWDGRYDVNFK-JTQLQIEISA-N	188.698	2.965	50	20	AFGD	
CC[C@@H](CCl)C1CC1	91367541	HJXFPPRRAFAOTM-LURJTMIESA-N	132.634	2.661	50	20	AFGD	
O=C/C=C/c1ccc(OC(F)F)cc1	39117634	CXKOKHXEHBVSIM-OWOJBTEDSA-N	198.168	2.500	50	20	AFGD	
ClCC1(C[C@@H]2CCCO2)CCC1	85043143	OPTDBRSSKSQSTK-VIFPVBQESA-N	188.698	2.965	50	20	AFGD	
CCC[C@@](C)(CCl)COC	157458109	OSZLNDLBHRWKLN-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
C[Si](C)(C)Oc1ccsc1	238442627	UUJDCKWHSGPIEG-UHFFFAOYSA-N	172.325	2.962	50	20	AFGD	
C#CCCC[C@H](F)CBr	585142525	IVDQWHHYVVUUEJ-ZETCQYMHSA-N	193.059	2.523	50	20	AFGD	
FC[C@@H](F)S(F)(F)F	2090608803	RSTIBMGYQCOWSR-REOHCLBHSA-N	154.103	2.710	50	20	AFGD	
CC[C@H](C)[C@@H](C)CCl	84349180	GVPXSEVFUWTSIY-BQBZGAKWSA-N	134.650	2.907	50	20	AFGD	
CC(C)n1nc2c(c1CCl)CCC2	409441137	WSRMXIOWMONTBR-UHFFFAOYSA-N	198.697	2.692	50	20	AFGD	
Fc1cccc(F)c1OCCl	88121310	VYEDVPTUBODBJQ-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
CC[C@H](C)[C@]1(CCl)CCOC1	87176859	CSIJTLAQFXMDBL-IUCAKERBSA-N	176.687	2.678	50	20	AFGD	
C[C@@H]1CCCC[C@]1(C=O)CCl	306585429	KCAOTIISBIHUIF-RKDXNWHRSA-N	174.671	2.621	50	20	AFGD	
ClCc1cccc(-n2ccnc2)c1	95930546	GBDOQRFQFRZGHV-UHFFFAOYSA-N	192.649	2.611	50	20	AFGD	
N#Cc1cc(CCl)ccc1Cl	238518113	NKYFXILKJPLWPH-UHFFFAOYSA-N	186.041	2.950	50	20	AFGD	
C[C@@H](Cl)CCC(F)F	584881271	OJPODDKAYIDCDV-SCSAIBSYSA-N	142.576	2.659	50	20	AFGD	
C=CCC1(CBr)CC1	306374938	RQXVKELVRFOCKP-UHFFFAOYSA-N	175.069	2.738	50	20	AFGD	
CCCO[P@](=O)(CC)CCl	521401168	ZKJKHKVTHXEZLS-SNVBAGLBSA-N	184.603	2.907	50	20	AFGD	
CC(C)[C@H](C)CCl	69688150	UMJSXTUELCDYKZ-ZCFIWIBFSA-N	120.623	2.517	50	20	AFGD	
CC[C@H](C)c1nc(CCl)co1	238282836	BEPFUFACAGXPKN-LURJTMIESA-N	173.643	2.927	50	20	AFGD	
CC(C)C[C@H](C#N)O[Si](C)(C)C	169925868	KNQADDZAKRMGAT-SECBINFHSA-N	185.343	2.776	50	20	AFGD	in-vitro
COC[C@H](CCl)C1CCCC1	163519342	ARYPWIUUWUEUQY-VIFPVBQESA-N	176.687	2.678	50	20	AFGD	
ClCC1(C2CCC2)CC1	161624776	QNUJWIPSUIRRNJ-UHFFFAOYSA-N	144.645	2.806	50	20	AFGD	
C[C@H](CCl)C[C@H]1CC[C@H](C)O1	299999428	ZWDSYTCSUGISSZ-XHNCKOQMSA-N	176.687	2.819	50	20	AFGD	
C[C@@](F)(CBr)C1CC1	1537958170	LODKJGNOSUQYRN-ZCFIWIBFSA-N	181.048	2.520	50	20	AFGD	
CC[C@@H]1CC[C@](C=O)(CCl)C1	306721294	DMCPBRITOQYENQ-RKDXNWHRSA-N	174.671	2.621	50	20	AFGD	
ClCc1c[nH]nc1C1CCCC1	409440305	MEYYLBXBVAAUBK-UHFFFAOYSA-N	184.670	2.806	50	20	AFGD	
ClCc1ccnc2occc12	199676720	IUZKUNUMSXUTPB-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
CC[C@H](C)C(=O)NN=C(C)[C@H](C)CC	915974197	IURLGIFROZVNPN-BDAKNGLRSA-N	198.310	2.571	50	20	AFGD	
C[C@@H]1Cc2cc(CCl)ccc2O1	34425904	HDSPTROJFFZKSM-SSDOTTSWSA-N	182.650	2.749	50	20	AFGD	
COC[C@]1(CCl)C[C@H]2CC[C@H]1C2	252790304	SIGFGVTXCPEIOM-LPEHRKFASA-N	188.698	2.678	50	20	AFGD	
CCCCCC=NNC(=O)C(C)(C)C	755650973	ZOLPOXILJYLZFM-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
ClCc1coc2ncccc12	137957299	CBTFPUNVPHPQRP-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
C[C@@H]1CCCC[C@H]1OC(=O)Cl	167057187	RKEOVSXUOPSKEM-RNFRBKRXSA-N	176.643	2.941	50	20	AFGD	
C[C@@H](CCl)CC(F)(F)F	307241989	RQYXUYMTXLCIRB-SCSAIBSYSA-N	160.566	2.814	50	20	AFGD	
CCCCC(CC)=NNC(=O)C(C)C	732924047	PXFUEVQAAONPEA-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
COC(C)(C)CCCCCl	104716902	HLKYZMRPEHOBFM-UHFFFAOYSA-N	164.676	2.821	50	20	AFGD	
CC[C@@H](C)C(C)=NNC(=O)C(C)(C)C	915966803	SMPNGAHQOFXWKL-MRVPVSSYSA-N	198.310	2.571	50	20	AFGD	
BrC[C@@H]1[C@H]2CCCC[C@H]21	250885933	WLZVPHAFYCGHHT-JIGDXULJSA-N	189.096	2.818	50	20	AFGD	
ClCc1cnc(C2CCC2)o1	536955222	VKQZUYGPPQLXET-UHFFFAOYSA-N	171.627	2.681	50	20	AFGD	
C=CCC[C@@H](C)CCl	82765108	ANYBNVUTOWLJSA-SSDOTTSWSA-N	132.634	2.828	50	20	AFGD	
BrC[C@]12CCCC[C@H]1C2	306631832	DPHDAYJOGWCUQQ-JGVFFNPUSA-N	189.096	2.962	50	20	AFGD	
N#C/C=C/CSc1ccc(F)cc1	306859580	DCBDSBNZONMJKF-OWOJBTEDSA-N	193.246	2.998	50	20	AFGD	
CCO[P@](=O)(CC)CCl	2014789	GUIXKMXXWADAJM-SECBINFHSA-N	170.576	2.517	50	20	AFGD	
CCC[C@@H](F)CBr	137137492	JMDKPRAXSHPFTE-RXMQYKEDSA-N	169.037	2.520	50	20	AFGD	
CC(C)CCO[C@@H](C)Cl	196664970	ZTAQZZRFUJEQJH-ZETCQYMHSA-N	150.649	2.634	50	20	AFGD	
C[C@H](CCl)C[C@@H]1CC[C@H](C)O1	299999426	ZWDSYTCSUGISSZ-CIUDSAMLSA-N	176.687	2.819	50	20	AFGD	
C=CCC[C@@H](F)CBr	585142506	HVTYMQGMPLBENA-ZCFIWIBFSA-N	181.048	2.686	50	20	AFGD	
Cc1ccccc1CN(C)C(=O)Cl	86894008	YJCWUGPIEFCJDY-UHFFFAOYSA-N	197.665	2.786	50	20	AFGD	
F[C@H](CBr)CC1CC1	585142559	KYLLBEFKWNGIPB-LURJTMIESA-N	181.048	2.520	50	20	AFGD	
C=CC[C@@H](C)CCBr	238413277	AXCLVVKUDJQYRV-SSDOTTSWSA-N	177.085	2.984	50	20	AFGD	
BrC[C@@]12CCCC[C@@H]1C2	306631833	DPHDAYJOGWCUQQ-SFYZADRCSA-N	189.096	2.962	50	20	AFGD	
ClCc1cccc2ocnc12	299889663	MOMNEVLZRPDBQE-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
C[C@@H]1C[C@@H]1c1ccc(C=C(C#N)C#N)o1	306730580	PPUYSRYLSHZERL-KCJUWKMLSA-N	198.225	2.834	50	20	AFGD	
C[C@H](CCl)Cc1ccns1	307199950	YHQLWOBPMBVLNN-LURJTMIESA-N	175.684	2.561	50	20	AFGD	
C[C@H](CCl)CC[C@@H]1CCOC1	307703354	RDIIBZVLYQLWTG-DTWKUNHWSA-N	176.687	2.678	50	20	AFGD	
O=C(Cl)N1CC[C@H]2CCCC[C@@H]21	39056758	LEWYUUYUTMWBIB-SFYZADRCSA-N	187.670	2.610	50	20	AFGD	
CC1(CCl)C[C@H]2C[C@@H]2C1	126945319	OTKDWECEMRRXNS-RNFRBKRXSA-N	144.645	2.661	50	20	AFGD	
CC1(C)[C@@H](CBr)C1(F)F	148596568	CKVBRSQDSYTCQD-SCSAIBSYSA-N	199.038	2.673	50	20	AFGD	
COCC[C@@H](C)[C@@H](C)CCl	163191730	UQVDWZHTUAGFAR-SFYZADRCSA-N	164.676	2.534	50	20	AFGD	
CC[C@@H](C)[C@]1(CCl)CCOC1	87176857	CSIJTLAQFXMDBL-BDAKNGLRSA-N	176.687	2.678	50	20	AFGD	
CC(C)[C@]1(CCl)CCO[C@@H]1C	127482975	PLTUEXDYNOCFOE-RKDXNWHRSA-N	176.687	2.676	50	20	AFGD	
ClC[C@H]1OCCc2ccccc21	27577105	VTCMUNVGKYWYIJ-SNVBAGLBSA-N	182.650	2.539	50	20	AFGD	
O=C[C@]1(CCCl)C[C@H]2CC[C@H]1C2	307224225	AVLGIILLFCHZME-GUBZILKMSA-N	186.682	2.621	50	20	AFGD	
CC(C)[C@H](CC(=O)Cl)C(F)F	1898225415	ACMPQMPVQCLNEC-YFKPBYRVSA-N	184.613	2.679	50	20	AFGD	
CC(C)C[C@H](C)CCl	78579596	TVBIUBUAMWKXDX-ZETCQYMHSA-N	134.650	2.907	50	20	AFGD	
O=CC1(CCl)CCCCCC1	306247670	FYCNKPNRIDHORW-UHFFFAOYSA-N	174.671	2.765	50	20	AFGD	
C[C@H]1C[C@@H]1c1ncc(CCl)o1	536955389	XJLPRRAIAIMTQE-FSPLSTOPSA-N	171.627	2.537	50	20	AFGD	
C[C@@H](CCl)Cc1ccc(O)cc1	87184985	OOPMFPSTFCVQKV-MRVPVSSYSA-N	184.666	2.810	50	20	AFGD	
C[C@@H](CCl)Cc1cccc(O)c1	87184981	PDFHFYIJCGFAMX-MRVPVSSYSA-N	184.666	2.810	50	20	AFGD	
C[C@H](CCl)C[C@@H]1CCCOC1	225339188	BYQBQOMDMGMHGP-IUCAKERBSA-N	176.687	2.678	50	20	AFGD	
COc1cc(C)cc(CCl)c1	95763942	SKNQBBIDSCKBNB-UHFFFAOYSA-N	170.639	2.742	50	20	AFGD	
C[C@H]1CC[C@H](CCCCl)O1	231978948	AURXMLRTMJFJEG-YUMQZZPRSA-N	162.660	2.573	50	20	AFGD	
ClC[C@@]1(C2CCC2)CCCOC1	236030029	QNRYXSYKBSDAHE-JTQLQIEISA-N	188.698	2.822	50	20	AFGD	
C[C@H](Br)CCC1CC1	70792014	LLKFYJNYKHAZCH-LURJTMIESA-N	177.085	2.960	50	20	AFGD	
C[C@H]1CCC[C@H](OC(=O)Cl)C1	39270622	GAFUBLLOIJFWQC-BQBZGAKWSA-N	176.643	2.941	50	20	AFGD	
CO[C@@H]1CCC[C@H]1C1(CCl)CC1	307627716	VQKFXBUOKDDRRJ-RKDXNWHRSA-N	188.698	2.821	50	20	AFGD	
CC(C)COCCCCCl	49851777	UWCQUHHETGCKEG-UHFFFAOYSA-N	164.676	2.678	50	20	AFGD	
CC(C)(C)[C@@H]1CCN(C(=O)Cl)C1	166826172	DFGBXWVEHRKGEK-SSDOTTSWSA-N	189.686	2.713	50	20	AFGD	
C[C@@H](CCl)COC1CCCC1	70066753	BHFIALQWQNUMGQ-QMMMGPOBSA-N	176.687	2.821	50	20	AFGD	
ClCC1(C2CC2)CCC1	162187506	YUTNCRLMXPSKRY-UHFFFAOYSA-N	144.645	2.806	50	20	AFGD	
CCc1ccccc1NC=C(C#N)C#N	747823563	TVBHDTHQHCSDOH-UHFFFAOYSA-N	197.241	2.592	50	20	AFGD	
CN(C)c1ccc(CCl)cc1F	20435751	OLOSQLPTOMDZOC-UHFFFAOYSA-N	187.645	2.631	50	20	AFGD	
CC(C)c1cnccc1CCl	725328170	JZXICQSTJVEKGS-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
N#CC=C1CCN(c2ccccc2)CC1	116277032	NDMQRJQTRXNIFZ-UHFFFAOYSA-N	198.269	2.737	50	20	AFGD	
COC[C@](C)(CCl)C(C)C	157468320	LGPACPHTFGCWIB-QMMMGPOBSA-N	164.676	2.534	50	20	AFGD	
Cc1ccc(C#N)cc1OC(=O)Cl	232334927	ORJNUJNXMNWLPP-UHFFFAOYSA-N	195.605	2.604	50	20	AFGD	
CC(C)C[C@@H](C)CCl	78579590	TVBIUBUAMWKXDX-SSDOTTSWSA-N	134.650	2.907	50	20	AFGD	
N#C/C=C/c1ccc(F)c(F)c1	41167881	OHHDNIVVIHGFEI-OWOJBTEDSA-N	165.142	2.502	50	20	AFGD	in-vitro
C[C@@H](CCl)CC[C@H]1CCOC1	307703353	RDIIBZVLYQLWTG-BDAKNGLRSA-N	176.687	2.678	50	20	AFGD	
ClC[C@]1(C2CC2)CCCCO1	306374659	KTYOIKFREYNKCX-VIFPVBQESA-N	174.671	2.575	50	20	AFGD	
CCCC[C@@H](F)CBr	135986907	HOQVMFCCBJHHPD-ZCFIWIBFSA-N	183.064	2.910	50	20	AFGD	
CCC(C)(C)CCl	54403691	JRUIYWSZTLWHME-UHFFFAOYSA-N	120.623	2.661	50	20	AFGD	
CC[C@@H](C)C(=O)NN=C(C)[C@H](C)CC	915974203	IURLGIFROZVNPN-RKDXNWHRSA-N	198.310	2.571	50	20	AFGD	
ClCc1c(C2CC2)n[nH]c1C1CC1	409440974	OVMOAQWERBPLNG-UHFFFAOYSA-N	196.681	2.903	50	20	AFGD	
CC1(C)[C@H]2CC(Br)C[C@@H]21	1898199517	PENGTBDQLOVXDP-BQBZGAKWSA-N	189.096	2.816	50	20	AFGD	
ClCc1cccc(-c2cc[nH]n2)c1	71257258	VDSILSBMYZZRJO-UHFFFAOYSA-N	192.649	2.816	50	20	AFGD	
CC(C)/C=C/CBr	79974352	QNJFJRMDXIBMKU-ONEGZZNKSA-N	163.058	2.594	50	20	AFGD	
C=CC[C@H](C)CBr	140082214	PNIJDHKXDHFPBM-LURJTMIESA-N	163.058	2.594	50	20	AFGD	
CCCC(CC)=NNC(=O)[C@H](C)CC	776185369	IULSYXATYLBAMK-SECBINFHSA-N	198.310	2.715	50	20	AFGD	
BrC[C@@]12CCCC[C@H]1C2	306631834	DPHDAYJOGWCUQQ-YUMQZZPRSA-N	189.096	2.962	50	20	AFGD	
COCC[C@H](C)[C@@H](C)CCl	163191608	UQVDWZHTUAGFAR-YUMQZZPRSA-N	164.676	2.534	50	20	AFGD	
Fc1ccc(C#CCCCl)cc1	57840697	MXVCPIJILCKFBD-UHFFFAOYSA-N	182.625	2.806	50	20	AFGD	in-vitro
CCOCCCCCBr	70651349	DRTWXURLAVHUQM-UHFFFAOYSA-N	195.100	2.588	50	20	AFGD	
Cc1nc(CCCCl)cs1	84276011	RSYJOEOZWKWDLX-UHFFFAOYSA-N	175.684	2.623	50	20	AFGD	
CC[C@]1(CCl)CCCCO1	307110414	LNHKSHWSUDYUES-MRVPVSSYSA-N	162.660	2.575	50	20	AFGD	
CSCC[C@H](C)CCl	131889849	MRJBMDKMFPTCPY-LURJTMIESA-N	152.690	2.614	50	20	AFGD	
CCCC[C@]1(CCl)CCCO1	307736466	ATYQTHVLQRYLQO-SECBINFHSA-N	176.687	2.965	50	20	AFGD	
ClC[Si]1(CCl)CCCC1	196101371	XMYCLJDQQJOVBA-UHFFFAOYSA-N	183.154	2.785	50	20	AFGD	
CC[C@H](C)C(=O)NN=CC[C@H](C)CC	834943583	XZEKITOXRWUHDG-ZJUUUORDSA-N	198.310	2.571	50	20	AFGD	
Cl[C@@H]1CCCc2ncccc21	138585608	NPYQDVRGIFOHLC-MRVPVSSYSA-N	167.639	2.698	50	20	AFGD	
C=CCCC(C)(C)[S@@](=O)Cl	97972407	LZCPCZMHNIUFPY-JTQLQIEISA-N	180.700	2.634	50	20	AFGD	
CC[C@H](C)[C@@H](F)CBr	585142083	BRTVSPVDXOUKOU-WDSKDSINSA-N	183.064	2.766	50	20	AFGD	
CC(=O)NN=C(C)C[C@@H](C)CC(C)C	779753536	QMKWQCFPKQWZOF-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
CC[C@H]1CC[C@@H](C)N1C(=O)Cl	136772802	XDXYOMLALNQELX-RQJHMYQMSA-N	175.659	2.608	50	20	AFGD	
CCSC[C@@H](C)CBr	84889381	RQILIEJDIWGJER-LURJTMIESA-N	197.141	2.771	50	20	AFGD	
CCCC[C@@]1(CCl)CCOC1	85045615	BAPDZDHPRNWBRY-VIFPVBQESA-N	176.687	2.822	50	20	AFGD	
C[C@@H](CCl)Cc1ccns1	307199951	YHQLWOBPMBVLNN-ZCFIWIBFSA-N	175.684	2.561	50	20	AFGD	
CCCCCCC=NNC(=O)C(C)C	755544662	YEENXDITTZILAR-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
C=CC[C@@H](CCl)C1CC1	306850409	PGQLDONLFUHZPL-QMMMGPOBSA-N	144.645	2.828	50	20	AFGD	
C=CC(C)(C)CBr	138368994	RQSYTDKILJSJIP-UHFFFAOYSA-N	163.058	2.594	50	20	AFGD	
O=C(Cl)Oc1cc(F)ccc1F	167073536	XLCQLSMILAOYDM-UHFFFAOYSA-N	192.548	2.702	50	20	AFGD	
CCC[C@@]1(CCl)CCCO1	306173406	GCXSOMCUIMSPGQ-QMMMGPOBSA-N	162.660	2.575	50	20	AFGD	
Cc1ncc(CCCCl)s1	85042733	ZLOLIJWYDKNLBB-UHFFFAOYSA-N	175.684	2.623	50	20	AFGD	
CC[C@@](C)(CCl)CCOC	85044306	VKSKFUJCUARVJI-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
CC[C@@H](C)[C@H](C)CCl	84349186	GVPXSEVFUWTSIY-RNFRBKRXSA-N	134.650	2.907	50	20	AFGD	
CC(C)CCO[C@H](C)Cl	196664975	ZTAQZZRFUJEQJH-SSDOTTSWSA-N	150.649	2.634	50	20	AFGD	
CC(C)c1cccc(CCl)n1	205315250	RZGBEVLHJVERQI-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
CCC(=O)Oc1ccc(CCl)cc1	74942518	BHUMEAVCUVGUIP-UHFFFAOYSA-N	198.649	2.741	50	20	AFGD	
S=C=NCCc1cccc(Cl)c1	11802427	UWOJLNPTNAQPSQ-UHFFFAOYSA-N	197.690	2.985	50	20	AFGD	
CC(C)(CCl)Cc1nccs1	87398548	KUBMVHFTRBEQQR-UHFFFAOYSA-N	189.711	2.951	50	20	AFGD	
ClCn1ccc(-c2ccsc2)n1	409440308	MGOAYSQXGGZIGQ-UHFFFAOYSA-N	198.678	2.808	50	20	AFGD	
ClCc1ccc2ccoc2n1	953055579	XAVSWBSLDSYEDN-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
Cc1cc(F)c(CCl)s1	238524482	AOXWCZAWVYJIPO-UHFFFAOYSA-N	164.632	2.934	50	20	AFGD	
CC(C)[C@H](C)CCCl	104731572	JZIXDUBILJGMDD-SSDOTTSWSA-N	134.650	2.907	50	20	AFGD	
CCCCC=NNC(=O)CC(C)(C)C	755700770	ZYEMCSKHQCSSSR-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
CCC(=O)NN=C(CC)C[C@@H](C)CC	915937207	MSBSAZPTSIDCIY-VIFPVBQESA-N	198.310	2.715	50	20	AFGD	
CCc1ccc([C@H](O)CCl)cc1	12506200	JHWPYELOOGZUDV-SNVBAGLBSA-N	184.666	2.521	50	20	AFGD	
COC(C)(C)CC1(CCl)CC1	307651827	JAXDKCYPDNACJT-UHFFFAOYSA-N	176.687	2.821	50	20	AFGD	
C=CCC(CCl)CC=C	104718941	VNZAFDINEAEOHE-UHFFFAOYSA-N	144.645	2.994	50	20	AFGD	
C[C@@H](CCl)CC[C@@H]1CCOC1	307703356	RDIIBZVLYQLWTG-RKDXNWHRSA-N	176.687	2.678	50	20	AFGD	
CC[C@@H](CCl)[C@H](C)COC	128502752	KXRKGVZMKGIADJ-SFYZADRCSA-N	164.676	2.534	50	20	AFGD	
CC(C)COC[C@H](C)CCl	70066793	KAWLZNXCVSJBOV-MRVPVSSYSA-N	164.676	2.534	50	20	AFGD	
CCC[C@@]1(CCl)CCO[C@H]1C	127437853	VGTANZKONZTQAM-IUCAKERBSA-N	176.687	2.821	50	20	AFGD	
N#CC(C#N)=Cc1coc2ccccc12	307233171	PVOMYMUIZHVTCM-UHFFFAOYSA-N	194.193	2.863	50	20	AFGD	
C[C@H](CCl)C[C@@H]1CC[C@@H](C)O1	232061304	ZWDSYTCSUGISSZ-YIZRAAEISA-N	176.687	2.819	50	20	AFGD	
C[C@@H](Br)CCC1CC1	70792015	LLKFYJNYKHAZCH-ZCFIWIBFSA-N	177.085	2.960	50	20	AFGD	
ClC[C@@]1(C2CCCC2)CCOC1	130023959	ZVEYOPINLJPNNR-JTQLQIEISA-N	188.698	2.822	50	20	AFGD	
C[C@@H]1CCC[C@H](OC(=O)Cl)C1	39270621	GAFUBLLOIJFWQC-RQJHMYQMSA-N	176.643	2.941	50	20	AFGD	
CC(C)CN(C(=O)Cl)C(C)C	86894125	BHHNFHDJYFVHCG-UHFFFAOYSA-N	177.675	2.712	50	20	AFGD	
C[C@@H]1C[C@H]1c1ccc(C=C(C#N)C#N)o1	306730582	PPUYSRYLSHZERL-LDYMZIIASA-N	198.225	2.834	50	20	AFGD	
CC(C)C[C@H](C)N1CC=C(C#N)CC1	828570176	ZVRGKQSCJURFHZ-NSHDSACASA-N	192.306	2.577	50	20	AFGD	
CCCOC(C)(C)CBr	60030418	GWDJZBNYQAJKQU-UHFFFAOYSA-N	195.100	2.587	50	20	AFGD	
CC(C)C1(CCl)CC1	87155615	YCPDXGWFSGPCPE-UHFFFAOYSA-N	132.634	2.661	50	20	AFGD	
C[C@@H]1CCC(Cl)=C(C#N)C1	215744569	IQGIYRNDJOWRBG-ZCFIWIBFSA-N	155.628	2.823	50	20	AFGD	
CCC(C=NNC(=O)[C@@H](C)CC)CC	915974707	NUFPOBVPFRAJNP-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
CC[C@@H](CCl)C[C@@H]1CCOC1	307697901	HGDWGKRJXSQZRZ-BDAKNGLRSA-N	176.687	2.678	50	20	AFGD	
CC(C)(CCl)C[C@H]1CCCO1	85042763	NOHADRPAAIJJSF-MRVPVSSYSA-N	176.687	2.821	50	20	AFGD	
FC(F)(F)CC1(CCl)CC1	307529472	LTDRXKNUHHKWEW-UHFFFAOYSA-N	172.577	2.958	50	20	AFGD	
CCc1coc([C@@H](C)Cl)n1	584881076	MYGODOZEJQWRJP-RXMQYKEDSA-N	159.616	2.537	50	20	AFGD	
CC[C@@H](C)[C@@H](C)CCl	84349175	GVPXSEVFUWTSIY-RQJHMYQMSA-N	134.650	2.907	50	20	AFGD	
CC[C@H]1CC[C@@H](C)N(C(=O)Cl)C1	306487694	JXSCMBOCDDYBIE-SFYZADRCSA-N	189.686	2.856	50	20	AFGD	
Cc1ccc(SC/C=C\C#N)nc1	308368669	JHAOTEBLRAGQCE-IHWYPQMZSA-N	190.271	2.562	50	20	AFGD	
O=CC1(CCCCl)CCCC1	307739961	MJECZJFDYMVULO-UHFFFAOYSA-N	174.671	2.765	50	20	AFGD	
CCc1[nH]nc(C2CC2)c1CCl	409441276	QOOYHIVHZOKGKJ-UHFFFAOYSA-N	184.670	2.588	50	20	AFGD	
CC[C@@H](CCl)C(C)C	78750129	NZQBFJNOOHMZCT-ZETCQYMHSA-N	134.650	2.907	50	20	AFGD	
CC[C@@H](C)C(C)=NNC(=O)CC(C)C	916342738	OMYSQTSPWBICBK-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
CC(=O)c1ccc(OC(=O)Cl)cc1	39394595	CPGOPLOXAMHUDB-UHFFFAOYSA-N	198.605	2.627	50	20	AFGD	
COC[C@@H](C)C(C)(C)CCl	128490239	XVARQVNXEZKXOK-SSDOTTSWSA-N	164.676	2.534	50	20	AFGD	
CC[C@@H](C)C=NNC(=O)CC(C)(C)C	755698198	JLDRXGIJWOWNLX-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
ClCC1(Cc2cscn2)CC1	85043356	ODIKQQOKCWNHDZ-UHFFFAOYSA-N	187.695	2.705	50	20	AFGD	
CCC[C@@H](CCl)CCOC	85044753	WGINGWLETMBUFG-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
CC(C)[C@@H](CC(=O)Cl)C(F)F	1898225414	ACMPQMPVQCLNEC-RXMQYKEDSA-N	184.613	2.679	50	20	AFGD	
CCC1(CCl)CCC1	85043115	CSTVKPWLYHHSIL-UHFFFAOYSA-N	132.634	2.806	50	20	AFGD	
O=C(Cl)C1CC2(C1)CC(F)(F)C2	409423521	CBKFGTBKVMAWIS-UHFFFAOYSA-N	194.608	2.577	50	20	AFGD	
CC[C@H](C)[C@@]1(CCl)CCOC1	87176863	CSIJTLAQFXMDBL-DTWKUNHWSA-N	176.687	2.678	50	20	AFGD	
CSCC[C@H](C)CBr	131932452	DLMFUDXSQULVIW-LURJTMIESA-N	197.141	2.771	50	20	AFGD	
CCC[C@@H](CCl)COCC	157460222	OWMHRAGAAJUPJA-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
CC[C@H](CCl)COC(C)C	307637384	YMVRVEPVUIPNQS-MRVPVSSYSA-N	164.676	2.676	50	20	AFGD	
CC[C@@H]1CC[C@@H](C)N(C(=O)Cl)C1	306487693	JXSCMBOCDDYBIE-HTQZYQBOSA-N	189.686	2.856	50	20	AFGD	
CCCC[C@H](F)CBr	135986866	HOQVMFCCBJHHPD-LURJTMIESA-N	183.064	2.910	50	20	AFGD	
C[C@@H](CCl)CC[C@@H]1CCCO1	82764852	QRPFJFIVUMHCHI-BDAKNGLRSA-N	176.687	2.821	50	20	AFGD	
Cc1ncc(CCl)cc1Cl	95763645	BIBYDNAIWCANIR-UHFFFAOYSA-N	176.046	2.782	50	20	AFGD	
CCC[C@]1(CCl)CCCO1	306173404	GCXSOMCUIMSPGQ-MRVPVSSYSA-N	162.660	2.575	50	20	AFGD	
CCCCC(C)=NNC(=O)CC(C)C	916342680	LXPLTCUIVACQFL-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
ClCc1ncc(-c2ccccc2)[nH]1	113420092	QWKWYGFDHRPFSG-UHFFFAOYSA-N	192.649	2.816	50	20	AFGD	
C[C@@H]1[C@](F)(Cl)[C@]1(C)CCl	238455067	UVXJGZYIXRDVNH-KVQBGUIXSA-N	171.042	2.786	50	20	AFGD	
CC(C)(C)C(=O)CCCCl	85055377	GURHBCXLSLBJAD-UHFFFAOYSA-N	162.660	2.621	50	20	AFGD	
C=CSSC=C	5194178	JEQYWIBQETUPEM-UHFFFAOYSA-N	118.226	2.655	50	20	AFGD	
CC[C@H](C)OCCCBr	48264471	FZCMOCCMULVVGP-ZETCQYMHSA-N	195.100	2.587	50	20	AFGD	
CCC(CC)=NNC(=O)CC(C)(C)C	728429205	WQWBIIOYACJFSY-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
C[C@@H](CCl)C1CCC1	161626566	XPRGJIYKDQRWJL-LURJTMIESA-N	132.634	2.661	50	20	AFGD	
C[C@H]1Cc2cc(CCl)ccc2O1	34425905	HDSPTROJFFZKSM-ZETCQYMHSA-N	182.650	2.749	50	20	AFGD	
ClCc1ncccc1OCC1CC1	1525635376	LAFCDWGPXWONCN-UHFFFAOYSA-N	197.665	2.609	50	20	AFGD	
C[C@H](CCl)CC[C@@H]1CCCO1	82764851	QRPFJFIVUMHCHI-IUCAKERBSA-N	176.687	2.821	50	20	AFGD	
COc1ccc2c(c1)C[C@@H](Cl)CC2	123476800	QHZASPIOAGSNNO-JTQLQIEISA-N	196.677	2.791	50	20	AFGD	
ClCC1(Cc2ccoc2)CC1	132152393	ZCKWLGHHQPPYEI-UHFFFAOYSA-N	170.639	2.841	50	20	AFGD	
C=CC[C@]1(CCl)CCCOC1	306838280	XCIASHPSTXFVPP-SECBINFHSA-N	174.671	2.598	50	20	AFGD	
CC(C)c1ncccc1CCl	104686616	JEHHTKBBTSITNA-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
CCc1cc(C#N)ccc1CCl	238312940	YTDDOPBVIQQGFF-UHFFFAOYSA-N	179.650	2.859	50	20	AFGD	
CC[C@H](CCl)Cc1nccs1	87398633	BRKAHJPNCYNVNL-ZETCQYMHSA-N	189.711	2.951	50	20	AFGD	
CC[C@H](CBr)C1CC1	133056097	NMUIWBDDBKXKDN-ZCFIWIBFSA-N	177.085	2.818	50	20	AFGD	
CC(C)c1cc(CCl)ccn1	238229648	NHSKVUBFJFSUET-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
Cc1cc(/C=C/C=O)c(C)s1	86207850	BGGIBENEGIZHNP-ONEGZZNKSA-N	166.245	2.577	50	20	AFGD	
C[C@H](CCl)C[C@H]1CC[C@@H](C)O1	232061308	ZWDSYTCSUGISSZ-DJLDLDEBSA-N	176.687	2.819	50	20	AFGD	
C[C@@H]1CC[C@H](CCCCl)O1	231978947	AURXMLRTMJFJEG-SFYZADRCSA-N	162.660	2.573	50	20	AFGD	
Fc1ccc(F)c(OCCl)c1	86491203	WETLTTSSALEGSB-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
COc1cccc(CCCCl)c1	19785260	JTHIZUIPLZWCGC-UHFFFAOYSA-N	184.666	2.867	50	20	AFGD	
CCSC[C@H](C)CBr	84889383	RQILIEJDIWGJER-ZCFIWIBFSA-N	197.141	2.771	50	20	AFGD	
CC(C)C1(CCl)CCOCC1	87155611	RWDIHOPKIAJSPA-UHFFFAOYSA-N	176.687	2.678	50	20	AFGD	
Nc1ccc(Cl)cc1CCl	95643066	QPTIOWHQGONWKH-UHFFFAOYSA-N	176.046	2.661	50	20	AFGD	
C[C@@H](CBr)C1CCC1	161635804	HBAMKCHDDSVRIH-LURJTMIESA-N	177.085	2.818	50	20	AFGD	
CC(C)C[C@@]1(CCl)CCCO1	306222045	VKVBYYSPIYVIEA-SECBINFHSA-N	176.687	2.821	50	20	AFGD	
N[C@@H](CCl)c1ccccc1Cl	409439301	GQMKETXJPVKCBH-QMMMGPOBSA-N	190.073	2.579	50	20	AFGD	
Br[C@@H]1CC[C@H]2CC[C@H]1C2	306459074	GCTUNFYRJIOGBR-GJMOJQLCSA-N	189.096	2.960	50	20	AFGD	
CC(C)[C@]1(CCl)CCCCO1	306193128	DLBISCZMLUWXOI-SECBINFHSA-N	176.687	2.821	50	20	AFGD	
BrC[C@]12CCCC[C@@H]1C2	306631831	DPHDAYJOGWCUQQ-HTQZYQBOSA-N	189.096	2.962	50	20	AFGD	
CC(C)COC[C@@H](C)CCl	70066792	KAWLZNXCVSJBOV-QMMMGPOBSA-N	164.676	2.534	50	20	AFGD	
CC[C@H]1CCCN(C(=O)Cl)CC1	86894387	FVPVFNQQGAENHG-QMMMGPOBSA-N	189.686	2.857	50	20	AFGD	
S=C=Nc1ccc2ncccc2c1	34133129	MNGBLQDZQOWPGZ-UHFFFAOYSA-N	186.239	2.969	50	20	AFGD	
CC1CC(c2ncc(CCl)o2)C1	536955200	VGTNCBQBZKLYOO-UHFFFAOYSA-N	185.654	2.927	50	20	AFGD	
CC[C@@H](C)[C@]1(CCl)CCCO1	306304731	IOVLMWPPXYMLPN-RKDXNWHRSA-N	176.687	2.821	50	20	AFGD	
FC(F)C(F)(F)CCCCl	306582821	PJNJNHYMQQFBDM-UHFFFAOYSA-N	178.556	2.906	50	20	AFGD	
CO[C@@H](C)CC1(CCl)CCC1	167703843	VVLSEPOGTMERNB-QMMMGPOBSA-N	176.687	2.821	50	20	AFGD	
CCCC(CC)=NNC(=O)C(C)(C)C	776185838	NBIKRJHFPPWITJ-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
Cc1ccc(CCBr)o1	82955099	FQHQIYLULLUVOJ-UHFFFAOYSA-N	189.052	2.525	50	20	AFGD	
CCc1ccc([C@@H](O)CCl)cc1	12506201	JHWPYELOOGZUDV-JTQLQIEISA-N	184.666	2.521	50	20	AFGD	
CCCC1(CCl)CCOCC1	85043091	JJOWWLWIVYOLRY-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
CC(C)C[C@]1(CCl)CCCO1	306222047	VKVBYYSPIYVIEA-VIFPVBQESA-N	176.687	2.821	50	20	AFGD	
Cc1[nH]nc(CC(C)C)c1CCl	409442430	ZVZYDSBWADOHOR-UHFFFAOYSA-N	186.686	2.655	50	20	AFGD	
CCCC(CC)=NNC(=O)[C@@H](C)CC	776185370	IULSYXATYLBAMK-VIFPVBQESA-N	198.310	2.715	50	20	AFGD	
C=C[C@@](C)(CCl)C1CC1	167352605	GPNATBZODABUES-QMMMGPOBSA-N	144.645	2.828	50	20	AFGD	
CC[C@H]1CC[C@@](C=O)(CCl)C1	306721293	DMCPBRITOQYENQ-IUCAKERBSA-N	174.671	2.621	50	20	AFGD	
CC(C)C[C@@H](F)CBr	59114733	MYHUJOMYYNLFKU-ZCFIWIBFSA-N	183.064	2.766	50	20	AFGD	
CSCC[C@@H](C)CCl	131890065	MRJBMDKMFPTCPY-ZCFIWIBFSA-N	152.690	2.614	50	20	AFGD	
CCCC[C@H]1CCCC1=NNC(=O)O	736984495	JNQTYDRFBABNHP-QMMMGPOBSA-N	198.266	2.600	50	20	AFGD	
C[C@@H](CCl)C[C@@H]1CCCOC1	225339153	BYQBQOMDMGMHGP-BDAKNGLRSA-N	176.687	2.678	50	20	AFGD	
ClC[C@@]1(C2CCC2)CCCO1	306417979	ZJHXFMKPPAJBPR-SECBINFHSA-N	174.671	2.575	50	20	AFGD	
C=CCC[C@H](C)CBr	82770584	FQAXJGCLNGJBFG-ZETCQYMHSA-N	177.085	2.984	50	20	AFGD	
ClCCCc1ccncc1Cl	84088102	VAPJXGPWOTZSNN-UHFFFAOYSA-N	190.073	2.906	50	20	AFGD	
CC1(CBr)C[C@H]2C[C@@H]2C1	126980408	ZWBJSLFMFBIHSZ-RNFRBKRXSA-N	189.096	2.818	50	20	AFGD	
C=C(Cl)CCCBr	238540535	MWPSZZTYGJGONE-UHFFFAOYSA-N	183.476	2.914	50	20	AFGD	
O=C(Cl)OCC1CCCC1	39390119	DDPRIBJJDYHQDB-UHFFFAOYSA-N	162.616	2.552	50	20	AFGD	
CC1(CCl)CCCC1	85043487	CFFBQXAHRMKJKK-UHFFFAOYSA-N	132.634	2.806	50	20	AFGD	
CC(C)(C)[C@H]1CC[C@H](CCl)O1	238094316	HCFFVLFTWSGTAY-HTQZYQBOSA-N	176.687	2.819	50	20	AFGD	
N#C/C=C/c1cccc2cccnc12	43559249	VOGVEZANNHPZEJ-QHHAFSJGSA-N	180.210	2.772	50	20	AFGD	in-vitro
CC(C)C1(CBr)CC1	87155658	IJZDSVAELUBSPZ-UHFFFAOYSA-N	177.085	2.818	50	20	AFGD	
CCC[C@@]1(CCl)CCCCO1	307445741	VTVIKNCREGNRRU-VIFPVBQESA-N	176.687	2.965	50	20	AFGD	
Cc1csc(C[C@H](C)CCl)n1	87398592	VHDGZTJJDJYFMC-LURJTMIESA-N	189.711	2.869	50	20	AFGD	
ClCC1(Cc2ccco2)CC1	85043255	ZSFNPYINIFDUFX-UHFFFAOYSA-N	170.639	2.841	50	20	AFGD	
Cc1cc(Cl)cc(CCl)n1	95763682	CJMIJUWHBYJBKF-UHFFFAOYSA-N	176.046	2.782	50	20	AFGD	
CC(C)(C)[C@H]1CC[C@@H](CCl)O1	238092670	HCFFVLFTWSGTAY-JGVFFNPUSA-N	176.687	2.819	50	20	AFGD	
C=C[C@](C)(CBr)C1CC1	167392375	YLRBTASZTPOJOU-MRVPVSSYSA-N	189.096	2.984	50	20	AFGD	
CC1(C=NNC(=O)O)CCCCCC1	833563832	IDSGQGBIKUMSFF-UHFFFAOYSA-N	198.266	2.600	50	20	AFGD	
C=CC[C@@]1(CCl)CCO[C@@H]1C	306613981	ABPBXFIICMCXQO-BDAKNGLRSA-N	174.671	2.597	50	20	AFGD	
CCC[C@]1(CCl)CCCOC1	203608102	CBHRCXOTWWRLJD-SECBINFHSA-N	176.687	2.822	50	20	AFGD	
O=C(Cl)C[C@H](C(F)F)C1CCC1	1898223309	IXPAEEQAHQBHAM-LURJTMIESA-N	196.624	2.823	50	20	AFGD	
COCCC1(CCl)CCCC1	85043492	CBYKWDLYNJBSEV-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
F[C@H](CBr)c1ccco1	409430908	XILKCPUWTDJKSB-RXMQYKEDSA-N	193.015	2.685	50	20	AFGD	
CCN(Cc1ccccc1)C(=O)Cl	39169022	HFWOEYXMOCJUBF-UHFFFAOYSA-N	197.665	2.867	50	20	AFGD	
CCC/C=C/CCCl	78750073	QYKUIEXHAJUFBW-SNAWJCMRSA-N	132.634	2.972	50	20	AFGD	
CC(C)(C)[C@@H]1CC[C@@H](CCl)O1	238154632	HCFFVLFTWSGTAY-YUMQZZPRSA-N	176.687	2.819	50	20	AFGD	
CO[C@@H]1CCC[C@H]1[C@H](C)CCl	307716733	LFNJQVCQQYCCFA-HRDYMLBCSA-N	176.687	2.676	50	20	AFGD	
CC[C@@H](C)C(=O)NN=CCC(C)(C)C	755649148	BCIZFAVVTSZZBY-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
CCC[P@](=O)(CCl)OCC	38523513	OLYGOCROOHBHRM-SNVBAGLBSA-N	184.603	2.907	50	20	AFGD	
O=C(Cl)OCc1cccs1	107125646	JVCRKJVLXJXEHE-UHFFFAOYSA-N	176.624	2.624	50	20	AFGD	
CCCO[P@](C)(=O)CCl	521400563	LMSHRZWDWRVFBR-VIFPVBQESA-N	170.576	2.517	50	20	AFGD	
C[C@H](Cl)CC(=O)Nc1ccccc1	48512633	VVAFDIQSUJLHBL-QMMMGPOBSA-N	197.665	2.643	50	20	AFGD	
Cc1coc([C@@H](Cl)C(C)C)n1	584880735	CLTTZPXOBSGCLS-ZETCQYMHSA-N	173.643	2.919	50	20	AFGD	
Cc1ccc(F)cc1OCCl	230439104	XECWDHPTJUXHPR-UHFFFAOYSA-N	174.602	2.709	50	20	AFGD	
CC[C@H](C)C(C)=NNC(=O)C(C)(C)C	915966804	SMPNGAHQOFXWKL-QMMMGPOBSA-N	198.310	2.571	50	20	AFGD	
ClCc1cncc2ccccc12	39278332	AJFBPEBJMMVXLM-UHFFFAOYSA-N	177.634	2.974	50	20	AFGD	
CC[C@H](CCl)C(C)C	78750138	NZQBFJNOOHMZCT-SSDOTTSWSA-N	134.650	2.907	50	20	AFGD	
Cc1ccc(CCl)c([N+](=O)[O-])c1	168729767	JYHXOTISAIHIIW-UHFFFAOYSA-N	185.610	2.642	50	20	AFGD	
Cl[C@H]1CCCc2cnccc21	238527770	MKKSBYCWYRRKAR-VIFPVBQESA-N	167.639	2.698	50	20	AFGD	
Cc1cccc(OCCl)c1F	232318152	GPCFHARMNCZNBS-UHFFFAOYSA-N	174.602	2.709	50	20	AFGD	
N#C/C=C(\c1ccccc1)N1CCCC1	39149086	NBDNSZDDNDPVKQ-MDWZMJQESA-N	198.269	2.647	50	20	AFGD	
N#CC(C#N)=Cc1ccsc1Cl	306458563	ZTRONSGGQOSEIG-UHFFFAOYSA-N	194.646	2.832	50	20	AFGD	
C[C@H](CCl)CC[C@H]1CCCO1	82764853	QRPFJFIVUMHCHI-DTWKUNHWSA-N	176.687	2.821	50	20	AFGD	
CCCO[P@@](C)(=O)CCl	521400555	LMSHRZWDWRVFBR-SECBINFHSA-N	170.576	2.517	50	20	AFGD	
CCOC[C@](C)(CC)CCl	157458881	DUPZGWYWYRDHHY-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
BrCC[C@@H]1C[C@@H]1C1CC1	237982056	RBLRGZIBVFJYMW-HTQZYQBOSA-N	189.096	2.818	50	20	AFGD	
COC[C@@H](CCl)C(C)(C)C	104724193	LEYWVYYJYVHMHQ-SSDOTTSWSA-N	164.676	2.534	50	20	AFGD	
CCC(=NNC(=O)[C@@H](C)CC)C(C)C	915974431	LDDRMNPEZXMVOP-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
C[C@@]1(CCl)CC=CCC1	307190098	WLQSEDQRZDXGDQ-MRVPVSSYSA-N	144.645	2.972	50	20	AFGD	
COCCCC[C@@H](C)CCl	82765006	PVXPAOIACMLJHU-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
CC(C)[C@@]1(CCl)CCCCO1	306193129	DLBISCZMLUWXOI-VIFPVBQESA-N	176.687	2.821	50	20	AFGD	
CCOCCCC1(CCl)CC1	85043310	ZBTLZORISHIKCF-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
O=C(Cl)Oc1ccc(F)c(F)c1	142353807	UZUSKWRSXHOBES-UHFFFAOYSA-N	192.548	2.702	50	20	AFGD	
ClCC1(C[C@H]2CCCO2)CC1	85043267	YUZQSRNMLRPLCU-MRVPVSSYSA-N	174.671	2.575	50	20	AFGD	
CCOCCC1(CCl)CCC1	85043161	DSPKMFOJFQHFOO-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
CCC[C@H](CCl)CCOC	85044752	WGINGWLETMBUFG-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
CC1(CBr)C[C@@H]2C[C@H]2C1	126980625	ZWBJSLFMFBIHSZ-BQBZGAKWSA-N	189.096	2.818	50	20	AFGD	
C[C@H](CCl)CC[C@H]1CCOC1	307703355	RDIIBZVLYQLWTG-IUCAKERBSA-N	176.687	2.678	50	20	AFGD	
COc1ccc(/C=C/C=O)cc1Cl	41207435	KKFHAVJLNMBXAO-NSCUHMNNSA-N	196.633	2.561	50	20	AFGD	
O=C(Cl)N1CC[C@@H]2CCCC[C@@H]21	39056756	LEWYUUYUTMWBIB-YUMQZZPRSA-N	187.670	2.610	50	20	AFGD	
Cc1ccc(OC(=O)Cl)cc1F	142536051	PGDFCHNNAVSRBC-UHFFFAOYSA-N	188.585	2.872	50	20	AFGD	
C[C@H]1CCC[C@@H](OC(=O)Cl)C1	39270624	GAFUBLLOIJFWQC-NKWVEPMBSA-N	176.643	2.941	50	20	AFGD	
CCCCCC(C)=NNC(=O)C(C)C	818239114	VNLWWYZJIIOKST-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
CCC[C@@]1(CCl)CCCOC1	203608108	CBHRCXOTWWRLJD-VIFPVBQESA-N	176.687	2.822	50	20	AFGD	
COc1cccc2c1CC[C@H](Cl)C2	536952388	CKOVWVXWTPJBGA-VIFPVBQESA-N	196.677	2.791	50	20	AFGD	
[N-]=[N+]=N[C@@H]1CCC[C@H]1OC(=O)Cl	231563228	KYUAOYUBGQQWRL-RFZPGFLSSA-N	189.602	2.593	50	20	AFGD	
CCC(C=NNC(=O)CC(C)C)CC	916342732	OHTGETCNVGBBRA-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CC(C)[C@@]1(CCl)CCCOC1	227916118	QSVRZQIOTXETDF-SECBINFHSA-N	176.687	2.678	50	20	AFGD	
C=C[C@@](C)(CBr)C1CC1	167392269	YLRBTASZTPOJOU-QMMMGPOBSA-N	189.096	2.984	50	20	AFGD	
ClCc1coc(-c2ccco2)n1	37933874	IPQVNELHJFCPMW-UHFFFAOYSA-N	183.594	2.673	50	20	AFGD	
CC(C)[C@@H](C)CCl	69688148	UMJSXTUELCDYKZ-LURJTMIESA-N	120.623	2.517	50	20	AFGD	
CCOC[C@@H](CCl)C(C)C	157460670	PECNHZHHUZMPNG-MRVPVSSYSA-N	164.676	2.534	50	20	AFGD	
C[C@@H](CCl)C[C@H]1CCCOC1	225339225	BYQBQOMDMGMHGP-RKDXNWHRSA-N	176.687	2.678	50	20	AFGD	
CC(=NNC(=O)CC(C)(C)C)C(C)C	728431328	QVSGIAQLEQHVLY-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CSCCCCBr	38063440	RUKWNJGFRHULMV-UHFFFAOYSA-N	183.114	2.525	50	20	AFGD	
Cc1ccc(C#CCCl)cc1	57840616	DAXCEJVRIAJDRD-UHFFFAOYSA-N	164.635	2.585	50	20	AFGD	
F[C@@H](CBr)CC1CCC1	585142469	HDNLUYNTFWPEEQ-SSDOTTSWSA-N	195.075	2.910	50	20	AFGD	
C[C@H](CCl)C[C@H]1CCCOC1	225339261	BYQBQOMDMGMHGP-DTWKUNHWSA-N	176.687	2.678	50	20	AFGD	
CC(C)CC(=O)NN=CCC(C)(C)C	755564079	ITXLMGAEXCDLOQ-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CO[C@@H](C)CC(C)(C)CCl	167702528	JTILEUGUKAJDSI-ZETCQYMHSA-N	164.676	2.676	50	20	AFGD	
C[C@H](Cl)CCC(F)F	584881270	OJPODDKAYIDCDV-BYPYZUCNSA-N	142.576	2.659	50	20	AFGD	
C[C@H](Cl)c1ccc(C(=O)O)cc1	98179128	ZHULDDBTDXXTMN-LURJTMIESA-N	184.622	2.685	50	20	AFGD	
O=C(Cl)N1CC[C@@H]2CCCC[C@H]21	39056755	LEWYUUYUTMWBIB-JGVFFNPUSA-N	187.670	2.610	50	20	AFGD	
O=c1c(CCl)coc2ccccc12	34581890	YTBVQYNGBIVPKC-UHFFFAOYSA-N	194.617	2.532	50	20	AFGD	
C[C@H]1C[C@@H]1c1ccc(C=C(C#N)C#N)o1	306730581	PPUYSRYLSHZERL-KWQFWETISA-N	198.225	2.834	50	20	AFGD	
ClCc1ccn2cccc2c1	725328744	LGLNGEPHGGTUHE-UHFFFAOYSA-N	165.623	2.678	50	20	AFGD	
CC(CCC1CCCC1)=NNC(=O)O	736563545	QPLSSNPKPKGHTG-UHFFFAOYSA-N	198.266	2.600	50	20	AFGD	
ClC[C@@H]1CCCC12CCOCC2	300964111	QYNWBWRBTPLAQX-VIFPVBQESA-N	188.698	2.822	50	20	AFGD	
CCCCCCN1CC=C(C#N)CC1	779587706	RYXPSJLJGAQVNX-UHFFFAOYSA-N	192.306	2.722	50	20	AFGD	
C=C(C)CCCCl	78672427	GNWTVPGKMPYNAX-UHFFFAOYSA-N	118.607	2.582	50	20	AFGD	
C[C@@H](CBr)CC1CC1	82765164	AOJARYGVVRZHSD-ZCFIWIBFSA-N	177.085	2.818	50	20	AFGD	
CC[C@H](C)CC=NNC(=O)[C@@H](C)CC	834943581	XZEKITOXRWUHDG-UWVGGRQHSA-N	198.310	2.571	50	20	AFGD	
Cc1ccc(C=C(C#N)C#N)cc1C	101938	PIKBCAOJBNODBD-UHFFFAOYSA-N	182.226	2.734	50	20	AFGD	
Cc1[nH]nc(C(C)C)c1CCl	409438676	FAHBKONDNOCNMH-UHFFFAOYSA-N	172.659	2.580	50	20	AFGD	
O=C(Cl)N1CCC[C@H]2CCC[C@@H]21	86894414	GNTCZVUWCNODGO-SFYZADRCSA-N	187.670	2.610	50	20	AFGD	
C[C@H](CCl)Cc1ccoc1	82764841	IKMNUJCMHOXJKV-ZETCQYMHSA-N	158.628	2.697	50	20	AFGD	
CCC(=O)NN=C(C)CCC=C(C)C	749156440	FAEMGYALYTYMBN-UHFFFAOYSA-N	196.294	2.635	50	20	AFGD	
Cc1csc(C[C@@H](C)CCl)n1	87398591	VHDGZTJJDJYFMC-ZCFIWIBFSA-N	189.711	2.869	50	20	AFGD	
CCc1ccc(C)nc1CCl	238357976	XEAVQNXOFQRGNK-UHFFFAOYSA-N	169.655	2.691	50	20	AFGD	
CC[C@H](C)[C@@]1(CCl)CCCO1	306304729	IOVLMWPPXYMLPN-IUCAKERBSA-N	176.687	2.821	50	20	AFGD	
N[C@@H](CCl)c1cccc(Cl)c1	409438100	CAVBGKSDRCVKAC-QMMMGPOBSA-N	190.073	2.579	50	20	AFGD	
CCC[C@@H](C)C(CC)=NNC(=O)CC	748244059	IFTGISNZMNCURV-SECBINFHSA-N	198.310	2.715	50	20	AFGD	
CC[C@@H](C)CC=NNC(=O)CC(C)C	834928573	PQLGPZGPTSIBQU-SNVBAGLBSA-N	198.310	2.571	50	20	AFGD	
CC[C@@H](CCl)[C@@H](C)COC	128502313	KXRKGVZMKGIADJ-YUMQZZPRSA-N	164.676	2.534	50	20	AFGD	
CC(C)Oc1cccnc1CCl	585672563	OTQRTZRACMEWHE-UHFFFAOYSA-N	185.654	2.608	50	20	AFGD	
COC[C@]1(CCl)CC=CCC1	306285211	DXGVQJATACLKTE-SECBINFHSA-N	174.671	2.598	50	20	AFGD	
CC[C@@H]1CC[C@H](C)N1C(=O)Cl	136772674	XDXYOMLALNQELX-NKWVEPMBSA-N	175.659	2.608	50	20	AFGD	
CC[C@H](C)[C@H](C)CCl	84349191	GVPXSEVFUWTSIY-NKWVEPMBSA-N	134.650	2.907	50	20	AFGD	
C=C[C@](C)(CCl)C1CC1	167352691	GPNATBZODABUES-MRVPVSSYSA-N	144.645	2.828	50	20	AFGD	
C[C@H](CCl)COC1CCCC1	70066752	BHFIALQWQNUMGQ-MRVPVSSYSA-N	176.687	2.821	50	20	AFGD	
CC(C)(C)[C@H]1C[C@H]1Br	140831944	TZLAVHKVJGZQJP-NTSWFWBYSA-N	177.085	2.816	50	20	AFGD	
ClC[C@@]1(C2CCCC2)CCCO1	306347993	FSLIWDGRYDVNFK-SNVBAGLBSA-N	188.698	2.965	50	20	AFGD	
C=CC[C@@]1(CCl)CCCOC1	306838281	XCIASHPSTXFVPP-VIFPVBQESA-N	174.671	2.598	50	20	AFGD	
ClCc1ccc2c(c1)CC2	104733920	FYKNVCZCLNRURQ-UHFFFAOYSA-N	152.624	2.524	50	20	AFGD	
ClC[C@@H]1CCc2ccccc21	78749882	DSLYTYVEQREUFZ-VIFPVBQESA-N	166.651	2.955	50	20	AFGD	
ClCc1nc(C2CCC2)ns1	584882441	IAOPMLGOYOBXCW-UHFFFAOYSA-N	188.683	2.544	50	20	AFGD	
CC[C@@H](C)CC=NNC(=O)[C@H](C)CC	834943580	XZEKITOXRWUHDG-NXEZZACHSA-N	198.310	2.571	50	20	AFGD	
C[C@H](CCl)Cc1cccc(O)c1	87184978	PDFHFYIJCGFAMX-QMMMGPOBSA-N	184.666	2.810	50	20	AFGD	
C=CCC[C@H](C)CCl	82765107	ANYBNVUTOWLJSA-ZETCQYMHSA-N	132.634	2.828	50	20	AFGD	
CC[C@H](CCl)C[C@@H](C)OC	167708902	PLETXUXIHMSLES-SFYZADRCSA-N	164.676	2.676	50	20	AFGD	
CCC(=NNC(=O)C(C)(C)C)C(C)C	915966732	PQQKKOPASFQVKM-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
N#C/C=C(/c1ccccc1)N1CCCC1	39215902	NBDNSZDDNDPVKQ-JYRVWZFOSA-N	198.269	2.647	50	20	AFGD	
CCC(CC)(CCl)COC	157458714	DPVKJXICMSVXLL-UHFFFAOYSA-N	164.676	2.678	50	20	AFGD	
COC(=O)c1ccc(C)c(CCl)c1	34089762	ZAEQIUHBBXZXDA-UHFFFAOYSA-N	198.649	2.520	50	20	AFGD	
C[C@H](CCl)Cc1cncs1	157052790	CFQOUWZVXCKWPY-LURJTMIESA-N	175.684	2.561	50	20	AFGD	
Cc1cc(N=C=S)ncc1Cl	114087504	UNAQXMQWXKKBEK-UHFFFAOYSA-N	184.651	2.778	50	20	AFGD	
C[C@@H](Cl)c1ccc(F)nc1	138275361	FNUNHFFZPYUREN-RXMQYKEDSA-N	159.591	2.521	50	20	AFGD	
COCCCC[C@H](C)CCl	82765005	PVXPAOIACMLJHU-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
C=CCOCSC[C@H](C)Cl	238432909	FJVOTZMBUVSXLX-ZETCQYMHSA-N	180.700	2.507	50	20	AFGD	
BrCCCc1ccoc1	70791568	KMIWOOJKAHQDHA-UHFFFAOYSA-N	189.052	2.607	50	20	AFGD	
ClCC1(Cc2nccs2)CC1	87398567	OQLLMEKWCPOBEP-UHFFFAOYSA-N	187.695	2.705	50	20	AFGD	
Cc1cc(C)cc(C=C(C#N)C#N)c1	16268998	LBGHRGNRXWTCNT-UHFFFAOYSA-N	182.226	2.734	50	20	AFGD	
C[C@H](CBr)C1CCC1	161635931	HBAMKCHDDSVRIH-ZCFIWIBFSA-N	177.085	2.818	50	20	AFGD	
CC(C)[C@@H](CCl)C1CC1	162189951	BBRNJMJXMRTLLO-MRVPVSSYSA-N	146.661	2.907	50	20	AFGD	
C[C@@H]1C[C@H]1c1ccc(/C=C/C=O)o1	86207834	AFSVDTUMQPKXAA-QTIBKXMGSA-N	176.215	2.615	50	20	AFGD	
CC(C)[C@]1(CCl)CCO[C@H]1C	127483193	PLTUEXDYNOCFOE-DTWKUNHWSA-N	176.687	2.676	50	20	AFGD	
CC[C@H](CCl)Cc1cncs1	157053987	FSQRQTMOLAXXJT-ZETCQYMHSA-N	189.711	2.951	50	20	AFGD	
CC[C@@H]1CC[C@@](C=O)(CCl)C1	306721291	DMCPBRITOQYENQ-BDAKNGLRSA-N	174.671	2.621	50	20	AFGD	
C[C@@H]1C[C@@H]1c1ncc(CCl)o1	536955391	XJLPRRAIAIMTQE-VDTYLAMSSA-N	171.627	2.537	50	20	AFGD	
CCCCCC=NNC(=O)[C@@H](C)CC	755650090	GJDGWVCZUHEENH-JTQLQIEISA-N	198.310	2.715	50	20	AFGD	
CC(C)Oc1ccc(/C=C/C=O)cc1	36448410	ORJTYKKLVHYQSS-ONEGZZNKSA-N	190.242	2.686	50	20	AFGD	
CCOC[C@@](C)(CC)CCl	157459022	DUPZGWYWYRDHHY-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
ClC[C@H]1CCCC12CCOCC2	300964110	QYNWBWRBTPLAQX-SECBINFHSA-N	188.698	2.822	50	20	AFGD	
CCCOCC[C@H](C)CCl	86529752	HXFLHOSIGLIQCT-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
C[C@@H]1CC[C@](C=O)(CCCl)C1	307651176	LIXIYKHJZNNNBA-BDAKNGLRSA-N	174.671	2.621	50	20	AFGD	
C[C@H]1CC[C@@](C=O)(CCCl)C1	307651178	LIXIYKHJZNNNBA-DTWKUNHWSA-N	174.671	2.621	50	20	AFGD	
CC(C)CCC=NNC(=O)CC(C)C	814752292	GGXDBRBBOZYHIB-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CCCCC(=O)CCCCl	78749740	MWWDIPJBSBDNEK-UHFFFAOYSA-N	162.660	2.765	50	20	AFGD	
Cc1[nH]nc(C2CCC2)c1CCl	409442130	WWEAANZWTNEHJL-UHFFFAOYSA-N	184.670	2.724	50	20	AFGD	
CCCC(CC)=NNC(=O)CC(C)C	776184870	AKRUPAUTVVNPTE-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
CC[C@H](CCl)CCCOC	85045234	YKLFKXVTZXMNAT-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
CC[C@H](CCl)Cc1cscn1	85045396	LYGVQXWUHIHHEC-ZETCQYMHSA-N	189.711	2.951	50	20	AFGD	
Cc1cc(F)c(F)cc1OCCl	307682921	SMXISNGJHINVFH-UHFFFAOYSA-N	192.592	2.848	50	20	AFGD	
Cc1[nH]nc(C(C)C)c1CCCl	409439896	KMUIWCXZCFXBTO-UHFFFAOYSA-N	186.686	2.623	50	20	AFGD	
CC[C@]1(CCl)CCO[C@H]1C1CC1	166576790	WZPIDLJHIDETKY-VHSXEESVSA-N	188.698	2.821	50	20	AFGD	
CC1(C)[C@@H]2CC(Br)C[C@H]21	1898199519	PENGTBDQLOVXDP-RNFRBKRXSA-N	189.096	2.816	50	20	AFGD	
Cc1oc([C@H](C)Cl)cc1C(=O)O	95942441	PDEDLYSGKHGJNT-BYPYZUCNSA-N	188.610	2.586	50	20	AFGD	
C[C@H]1CC[C@@H](CCCCl)O1	231978944	AURXMLRTMJFJEG-JGVFFNPUSA-N	162.660	2.573	50	20	AFGD	
CC(C)[C@H](C)[C@]1(CCl)CCOC1	306347195	CWVYUIOWUWPZCO-UWVGGRQHSA-N	190.714	2.924	50	20	AFGD	
COC(=O)CCCCCCCCl	36438433	CSTARPJPLIGTHY-UHFFFAOYSA-N	192.686	2.739	50	20	AFGD	
Cc1ccc([C@@H](C)Cl)nc1	98178902	WAWVWMRXPTYDEU-SSDOTTSWSA-N	155.628	2.690	50	20	AFGD	
O=C(Cl)N1CCC[C@H]2CCC[C@H]21	86894410	GNTCZVUWCNODGO-HTQZYQBOSA-N	187.670	2.610	50	20	AFGD	
C[C@H]1CCCC[C@]1(C=O)CCl	306585426	KCAOTIISBIHUIF-DTWKUNHWSA-N	174.671	2.621	50	20	AFGD	
BrC1[C@H]2CCCC[C@H]12	100051178	LOOMTCQZRVQSSA-WDSKDSINSA-N	175.069	2.570	50	20	AFGD	
Cc1ccc(F)cc1OC(=O)Cl	230687266	ISAGYWPJNXYLOS-UHFFFAOYSA-N	188.585	2.872	50	20	AFGD	
BrCC[C@H]1C[C@@H]1C1CC1	237983077	RBLRGZIBVFJYMW-JGVFFNPUSA-N	189.096	2.818	50	20	AFGD	
CC(C)[C@@H](C)[C@]1(CCl)CCOC1	306347197	CWVYUIOWUWPZCO-ZJUUUORDSA-N	190.714	2.924	50	20	AFGD	
Cc1cccc(OC(=O)Cl)c1F	232334931	UJHHWZHWOLMBIH-UHFFFAOYSA-N	188.585	2.872	50	20	AFGD	
CC(C)(C)[C@@H]1C[C@@H]1Br	138154495	TZLAVHKVJGZQJP-RITPCOANSA-N	177.085	2.816	50	20	AFGD	
ClCC1(Cc2cncs2)CC1	157052617	GPUCYUYFYCXSFJ-UHFFFAOYSA-N	187.695	2.705	50	20	AFGD	
O=CC1(CCCl)CCCCC1	307551541	SPVFLQGPOXPDLB-UHFFFAOYSA-N	174.671	2.765	50	20	AFGD	
C[C@H](CCl)CC1CCOCC1	82765137	ZEQRNMBNWGIQAE-QMMMGPOBSA-N	176.687	2.678	50	20	AFGD	
Cl[C@@H]1CCCc2cnccc21	238558543	MKKSBYCWYRRKAR-SECBINFHSA-N	167.639	2.698	50	20	AFGD	
Cc1c(CCl)ccnc1Cl	95761953	PHEYVYIBCSRMHO-UHFFFAOYSA-N	176.046	2.782	50	20	AFGD	
CCC(=O)NN=C1CCCCCCC1	915916773	OHBXSDBKTYOONB-UHFFFAOYSA-N	196.294	2.613	50	20	AFGD	
CC[C@@H](C)OC[C@@H](C)CCl	70066988	CDXBBMRTZMPZCT-JGVFFNPUSA-N	164.676	2.676	50	20	AFGD	
Cc1ncc(C[C@H](C)CCl)s1	85044128	PSXOZFULMLUTMH-LURJTMIESA-N	189.711	2.869	50	20	AFGD	
CC(CC(C)(C)C)=NNC(=O)C(C)C	834926960	BTJJORWNZVHOLP-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
COc1cccc(CCl)c1C	34592433	RNIWKEKQJWKJMS-UHFFFAOYSA-N	170.639	2.742	50	20	AFGD	in-vitro
C=CCC[C@@H](C)CBr	82770585	FQAXJGCLNGJBFG-SSDOTTSWSA-N	177.085	2.984	50	20	AFGD	
ClCc1ncc(Cl)nc1Cl	238524900	BLUXISMPOLNEPZ-UHFFFAOYSA-N	197.452	2.522	50	20	AFGD	
CC1(CCl)C[C@@H]2C[C@H]2C1	126945519	OTKDWECEMRRXNS-BQBZGAKWSA-N	144.645	2.661	50	20	AFGD	
CCCCC(C)=NNC(=O)[C@H](C)CC	915973570	ALUBYMMQLQQQCU-SECBINFHSA-N	198.310	2.715	50	20	AFGD	
CCC[C@H](C)C(CC)=NNC(=O)CC	748244061	IFTGISNZMNCURV-VIFPVBQESA-N	198.310	2.715	50	20	AFGD	
COc1cccc2c1CC[C@@H](Cl)C2	536952363	CKOVWVXWTPJBGA-SECBINFHSA-N	196.677	2.791	50	20	AFGD	
ClCn1ccc(-c2cccs2)n1	2536489	ASLDJQSHKOORBK-UHFFFAOYSA-N	198.678	2.808	50	20	AFGD	
COC[C@H](C)C1(CCl)CCC1	128492731	BNKKALPTAZVWOG-QMMMGPOBSA-N	176.687	2.678	50	20	AFGD	
ClCc1cncc(C2CC2)c1	238534547	VJASKKDCPKZZRJ-UHFFFAOYSA-N	167.639	2.698	50	20	AFGD	
BrCC1(C2CCC2)CC1	161634090	RDBMLQBRAXMWPF-UHFFFAOYSA-N	189.096	2.962	50	20	AFGD	
COc1cc(F)c(CCl)c(F)c1	37903845	KXKRUEPJTHLKNH-UHFFFAOYSA-N	192.592	2.712	50	20	AFGD	
C[C@@H]1CCC[C@@H](OC(=O)Cl)C1	39270623	GAFUBLLOIJFWQC-RNFRBKRXSA-N	176.643	2.941	50	20	AFGD	
C[C@H]1C[C@H]1c1ncc(CCl)o1	536955385	XJLPRRAIAIMTQE-CAHLUQPWSA-N	171.627	2.537	50	20	AFGD	
C[C@H](CCl)Cc1nccs1	87398595	VAVPKDOGOHOOAL-LURJTMIESA-N	175.684	2.561	50	20	AFGD	
CC(C)(C)c1cnc(CCCl)o1	35739972	LSLZHDORVOYYOA-UHFFFAOYSA-N	187.670	2.753	50	20	AFGD	
CO[C@H](C)CC1(CCl)CCC1	167703950	VVLSEPOGTMERNB-MRVPVSSYSA-N	176.687	2.821	50	20	AFGD	
CC[C@H]1CC[C@H](C)N(C(=O)Cl)C1	306487697	JXSCMBOCDDYBIE-YUMQZZPRSA-N	189.686	2.856	50	20	AFGD	
CCC[P@@](=O)(CCl)OCC	38523514	OLYGOCROOHBHRM-JTQLQIEISA-N	184.603	2.907	50	20	AFGD	
CCCCCC=NNC(=O)CC(C)C	755566525	WBMAHLVZSYDTFZ-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
CC(C)OCC(C)(C)CCl	306251415	QMDGYVRHMPNJIZ-UHFFFAOYSA-N	164.676	2.676	50	20	AFGD	
Fc1ccc2c(c1)CC[C@@H](Cl)C2	536952396	CQKAJQXXAYMRKH-SECBINFHSA-N	184.641	2.922	50	20	AFGD	
CC(=O)c1cc(C)ccc1OCCl	86491148	SFJLCLSYXUBOKG-UHFFFAOYSA-N	198.649	2.773	50	20	AFGD	
CCC(C)(C)OC(=O)Cl	34446670	XJAINPOVVPZLBI-UHFFFAOYSA-N	150.605	2.550	50	20	AFGD	
CC[C@@]1(CCl)CCCCO1	307110415	LNHKSHWSUDYUES-QMMMGPOBSA-N	162.660	2.575	50	20	AFGD	
C[C@@H]1OCC[C@@]1(CCl)C1CCC1	127442358	IIJBIQPZPTWXJJ-WPRPVWTQSA-N	188.698	2.821	50	20	AFGD	
C[C@@H]1CCCC[C@@]1(C=O)CCl	306585424	KCAOTIISBIHUIF-BDAKNGLRSA-N	174.671	2.621	50	20	AFGD	
FC(F)c1ccnc(CCl)c1	238526983	PQCLXGRAWBIZFD-UHFFFAOYSA-N	177.581	2.758	50	20	AFGD	
CC[C@@H](CCl)Cc1cncs1	157054141	FSQRQTMOLAXXJT-SSDOTTSWSA-N	189.711	2.951	50	20	AFGD	
CC(C)C[C@@]1(CCl)CCOC1	85045610	ZZKIHVCRJIVORP-SECBINFHSA-N	176.687	2.678	50	20	AFGD	
Cc1ccc(COC(=O)Cl)cc1	39475315	SHZSTUDDHRIOCR-UHFFFAOYSA-N	184.622	2.870	50	20	AFGD	
CC[C@@H]1CC[C@H](C)N(C(=O)Cl)C1	306212052	JXSCMBOCDDYBIE-JGVFFNPUSA-N	189.686	2.856	50	20	AFGD	
ClCC1(C[C@H]2CCCO2)CCC1	85043142	OPTDBRSSKSQSTK-SECBINFHSA-N	188.698	2.965	50	20	AFGD	
CC[C@H](C)C(C)=NNC(=O)CC(C)C	916342740	OMYSQTSPWBICBK-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
CC1CCC(C=O)(CCl)CC1	307415766	YCJPOYWDFVXMNP-UHFFFAOYSA-N	174.671	2.621	50	20	AFGD	
ClCc1cccc2ccncc12	300772106	QAIQHLXTPNUIPG-UHFFFAOYSA-N	177.634	2.974	50	20	AFGD	
CC1(C)CCCN(C(=O)Cl)CC1	86894408	JWIBATJPSQJIJG-UHFFFAOYSA-N	189.686	2.857	50	20	AFGD	
Cc1ccc(C)c(/C=C/C=O)c1	34494024	RYMBNFBPNCLEKN-ONEGZZNKSA-N	160.216	2.516	50	20	AFGD	
CC(C)(C)c1cc(CCl)no1	82703803	UYNMHUUDVKQRQL-UHFFFAOYSA-N	173.643	2.711	50	20	AFGD	
CC[C@H](C)OC[C@@H](C)CCl	70066989	CDXBBMRTZMPZCT-YUMQZZPRSA-N	164.676	2.676	50	20	AFGD	
ClCc1c[nH]nc1-c1cccs1	409442291	YOIMJLSANWBYKG-UHFFFAOYSA-N	198.678	2.877	50	20	AFGD	
CC[C@H](C)OC[C@H](C)CCl	70066991	CDXBBMRTZMPZCT-SFYZADRCSA-N	164.676	2.676	50	20	AFGD	
ClC[C@]1(C2CCCC2)CCOC1	130024124	ZVEYOPINLJPNNR-SNVBAGLBSA-N	188.698	2.822	50	20	AFGD	
C[C@@H](CCl)Cc1cncs1	157052916	CFQOUWZVXCKWPY-ZCFIWIBFSA-N	175.684	2.561	50	20	AFGD	
CCOCC[C@@H](CC)CCl	78750153	HKWCUBMQOVYNDV-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
C=C[C@](C)(CC)CBr	159052088	DBWCXJUXIUBQEG-SSDOTTSWSA-N	177.085	2.984	50	20	AFGD	
Cl[C@@H]1CC[C@H]2CC[C@H]1C2	307222617	YZYZICFHEKTHLN-GJMOJQLCSA-N	144.645	2.804	50	20	AFGD	
C=CCC[C@H](F)CBr	585142504	HVTYMQGMPLBENA-LURJTMIESA-N	181.048	2.686	50	20	AFGD	
BrCC1(C2CC2)CCC1	162195112	UFHCZIZEUKWIKZ-UHFFFAOYSA-N	189.096	2.962	50	20	AFGD	
C[C@]1(CCl)CC=CCC1	307190099	WLQSEDQRZDXGDQ-QMMMGPOBSA-N	144.645	2.972	50	20	AFGD	
CCc1coc([C@H](C)Cl)n1	584881077	MYGODOZEJQWRJP-YFKPBYRVSA-N	159.616	2.537	50	20	AFGD	
CC(C)[C@@]1(CCl)CCO[C@@H]1C	127482464	PLTUEXDYNOCFOE-BDAKNGLRSA-N	176.687	2.676	50	20	AFGD	
CCC(=O)NN=C(CC)C[C@H](C)CC	915937206	MSBSAZPTSIDCIY-SECBINFHSA-N	198.310	2.715	50	20	AFGD	
Cl[C@@H]1CCCc2[nH]ccc21	35569446	XGZDSYJKBNYCAP-SSDOTTSWSA-N	155.628	2.631	50	20	AFGD	
C[C@@H]1[C@@](F)(Cl)[C@@]1(C)CCl	307413844	UVXJGZYIXRDVNH-ZLUOBGJFSA-N	171.042	2.786	50	20	AFGD	
BrCC1[C@H]2CCCC[C@H]12	163552913	WLZVPHAFYCGHHT-BQBZGAKWSA-N	189.096	2.818	50	20	AFGD	
CC(C)c1ccncc1CCl	725328219	QDNGNAPZJKGYEW-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
CC(C)OCC[C@@H](C)CCl	85044143	WTLANTCXMDFSDP-MRVPVSSYSA-N	164.676	2.676	50	20	AFGD	
Cc1ccc(SC/C=C/C#N)nc1	306486775	JHAOTEBLRAGQCE-NSCUHMNNSA-N	190.271	2.562	50	20	AFGD	
Cc1nc(C[C@H](C)CCl)cs1	85044092	PWJKZTYWSDNLJC-LURJTMIESA-N	189.711	2.869	50	20	AFGD	
CC(C)[C@@H](C)CCCl	104733891	JZIXDUBILJGMDD-ZETCQYMHSA-N	134.650	2.907	50	20	AFGD	
CC[C@@H](CCl)Cc1cscn1	85045398	LYGVQXWUHIHHEC-SSDOTTSWSA-N	189.711	2.951	50	20	AFGD	
CCO[P@@](=O)(CC)CCl	2014787	GUIXKMXXWADAJM-VIFPVBQESA-N	170.576	2.517	50	20	AFGD	
CCC=CCCBr	1857775719	HSNATJOWAYTBGM-UHFFFAOYSA-N	163.058	2.738	50	20	AFGD	
ClC[C@H]1CCc2ccccc21	78749877	DSLYTYVEQREUFZ-SECBINFHSA-N	166.651	2.955	50	20	AFGD	
CC(C)c1ccc(CCl)cn1	104686353	MQYQJEKEQADVMX-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
Br[C@H]1CC[C@H]2CC[C@H]1C2	197902325	GCTUNFYRJIOGBR-CSMHCCOUSA-N	189.096	2.960	50	20	AFGD	
C[C@H]1CCC(Cl)=C(C#N)C1	215744622	IQGIYRNDJOWRBG-LURJTMIESA-N	155.628	2.823	50	20	AFGD	
N#CC(C#N)=Cc1cc(Cl)cs1	306565863	YPDBRCZJMROGSC-UHFFFAOYSA-N	194.646	2.832	50	20	AFGD	
CCc1nc(C)ccc1OC(=O)Cl	232208122	MKDMCUDNANEPFI-UHFFFAOYSA-N	199.637	2.690	50	20	AFGD	
CC(C)CCC=NNC(=O)C(C)(C)C	814805499	HFYFJGMVBGRNMN-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CC(C)(C)CC=NNC(=O)C(C)(C)C	755647902	ATTKWZFRVOPNFQ-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
Cc1cc(/C=C/C#N)cc(C)c1O	43559211	PBYPWLVGLJZCCV-ONEGZZNKSA-N	173.215	2.546	50	20	AFGD	
O=C(Cl)N1CCC[C@@H]2CCC[C@@H]21	86894416	GNTCZVUWCNODGO-YUMQZZPRSA-N	187.670	2.610	50	20	AFGD	
CO[C@@H]1CCCC[C@@H]1CCCl	238397914	ZXOPRCWBBROGLW-RKDXNWHRSA-N	176.687	2.821	50	20	AFGD	
C=CC[C@@H](C)CBr	137951812	PNIJDHKXDHFPBM-ZCFIWIBFSA-N	163.058	2.594	50	20	AFGD	
CC(C)c1coc(CCl)n1	584881063	LLTAZFCMCRBDFL-UHFFFAOYSA-N	159.616	2.537	50	20	AFGD	
CC(C)C(C)(C)CCl	82707860	DASUPYHSQZJITI-UHFFFAOYSA-N	134.650	2.907	50	20	AFGD	
COc1ccc(C)c(CCl)c1	88189832	AKHKPPMSUZKBHZ-UHFFFAOYSA-N	170.639	2.742	50	20	AFGD	
C[C@H](Br)CCC(F)F	213271468	JDBADVXVKROONE-BYPYZUCNSA-N	187.027	2.815	50	20	AFGD	
C[C@H](CCl)COC(C)(C)C	70024334	LDYKXUGMAGABHG-SSDOTTSWSA-N	164.676	2.676	50	20	AFGD	
Cc1ncc(C[C@@H](C)CCl)s1	85044127	PSXOZFULMLUTMH-ZCFIWIBFSA-N	189.711	2.869	50	20	AFGD	
CSCCC1(CCl)CC1	131879493	FHFMPNDDKZTSCT-UHFFFAOYSA-N	164.701	2.759	50	20	AFGD	
CC(C)(CCl)C[C@H]1CCOC1	306640384	JXOPWRLLFLSRQU-MRVPVSSYSA-N	176.687	2.678	50	20	AFGD	
CC[C@H](C[C@H](C)CCl)OC	306662221	TTXSZOLYLHBMIF-JGVFFNPUSA-N	164.676	2.676	50	20	AFGD	
CC(C)(C)SCCl	104712139	OUQDQWHEHIDOLB-UHFFFAOYSA-N	138.663	2.714	50	20	AFGD	in-vitro
BrCC1[C@@H]2CCCC[C@@H]12	163552712	WLZVPHAFYCGHHT-RNFRBKRXSA-N	189.096	2.818	50	20	AFGD	
C[C@@H](Br)CCC(F)F	213271521	JDBADVXVKROONE-SCSAIBSYSA-N	187.027	2.815	50	20	AFGD	
N#C/C=C\CSc1ccc(F)cc1	388329164	DCBDSBNZONMJKF-UPHRSURJSA-N	193.246	2.998	50	20	AFGD	
COC[C@@H](C)C1(CCl)CCC1	128492978	BNKKALPTAZVWOG-MRVPVSSYSA-N	176.687	2.678	50	20	AFGD	
ClCCCc1ccsc1	60711346	HHIQFUUANQNTCC-UHFFFAOYSA-N	160.669	2.920	50	20	AFGD	
CC(C)C1CCN(C(=O)Cl)CC1	232590223	YTBPVZRBPZTWRJ-UHFFFAOYSA-N	189.686	2.713	50	20	AFGD	
CC[C@H](CCl)C1CC1	91367543	HJXFPPRRAFAOTM-ZCFIWIBFSA-N	132.634	2.661	50	20	AFGD	
CC[C@H](CCl)[C@@H](C)COC	128502531	KXRKGVZMKGIADJ-JGVFFNPUSA-N	164.676	2.534	50	20	AFGD	
CCOCC1(CCl)CCCC1	157457357	QLQXDEXDERZZEO-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
Cc1ccc(F)cc1C=C(C#N)C#N	306182348	VQGRZPVYMYFZCP-UHFFFAOYSA-N	186.189	2.565	50	20	AFGD	
CC1(C)[C@H]2C[C@H](Br)C[C@H]21	1898199518	PENGTBDQLOVXDP-POBXSPIYSA-N	189.096	2.816	50	20	AFGD	
CC[C@H](CCl)[C@H](C)COC	128502990	KXRKGVZMKGIADJ-HTQZYQBOSA-N	164.676	2.534	50	20	AFGD	
FC[C@H](F)S(F)(F)F	2090608804	RSTIBMGYQCOWSR-UWTATZPHSA-N	154.103	2.710	50	20	AFGD	
O=C(Cl)OCCc1cccs1	80224898	BKCBKHAWGJKGSS-UHFFFAOYSA-N	190.651	2.666	50	20	AFGD	
CO[C@@H]1CCC[C@@H]1[C@@H](C)CCl	307716732	LFNJQVCQQYCCFA-DJLDLDEBSA-N	176.687	2.676	50	20	AFGD	
COc1c(F)cccc1CCl	115410688	PLTQMIYVUSUELE-UHFFFAOYSA-N	174.602	2.573	50	20	AFGD	
CC(C)(C)[C@H]1CCN(C(=O)Cl)C1	166826299	DFGBXWVEHRKGEK-ZETCQYMHSA-N	189.686	2.713	50	20	AFGD	
[N-]=[N+]=Nc1ccc(C=CC=O)cc1	1857788259	MFGPIUGUWLAIGM-UHFFFAOYSA-N	173.175	2.841	50	20	AFGD	
CC[C@H]1CC[C@](C=O)(CCl)C1	306721292	DMCPBRITOQYENQ-DTWKUNHWSA-N	174.671	2.621	50	20	AFGD	
N#C/C=C\CSc1ccccc1F	388221257	IFAILVVBGLMXJT-ARJAWSKDSA-N	193.246	2.998	50	20	AFGD	
Fc1cc(F)cc(OCCl)c1	86491198	NGGDFGPJQLIJFJ-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
C=CC[C@H](C)CCBr	238470858	AXCLVVKUDJQYRV-ZETCQYMHSA-N	177.085	2.984	50	20	AFGD	
O=[N+]([O-])c1ccccc1CCCCl	34562879	MTEREGMCUMOCPN-UHFFFAOYSA-N	199.637	2.766	50	20	AFGD	
Fc1ccc(OCCl)cc1F	86491156	ACYJZMMNXFYGHV-UHFFFAOYSA-N	178.565	2.540	50	20	AFGD	
CC[C@@H](CBr)C1CC1	133055866	NMUIWBDDBKXKDN-LURJTMIESA-N	177.085	2.818	50	20	AFGD	
CC(C)(CCl)C[C@@H]1CCCO1	85042762	NOHADRPAAIJJSF-QMMMGPOBSA-N	176.687	2.821	50	20	AFGD	
CC[C@@H](CCl)C[C@@H](C)OC	167709004	PLETXUXIHMSLES-HTQZYQBOSA-N	164.676	2.676	50	20	AFGD	
C[C@@H]1CC[C@@](C=O)(CCCl)C1	307651182	LIXIYKHJZNNNBA-RKDXNWHRSA-N	174.671	2.621	50	20	AFGD	
CCCC(C)=NNC(=O)CC(C)(C)C	728428705	HDRPGAORNFTIAE-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
C[C@H](CCl)Cc1ccc(O)cc1	87184983	OOPMFPSTFCVQKV-QMMMGPOBSA-N	184.666	2.810	50	20	AFGD	
O=C(Cl)CC(C1CC1)C1CC1	145958614	HJQLFCDMISYAIO-UHFFFAOYSA-N	172.655	2.578	50	20	AFGD	
C=CC[C@H](CCl)C1CC1	306850408	PGQLDONLFUHZPL-MRVPVSSYSA-N	144.645	2.828	50	20	AFGD	
CC(C)C[C@H](F)CBr	59114730	MYHUJOMYYNLFKU-LURJTMIESA-N	183.064	2.766	50	20	AFGD	
CSCC[C@]1(CCl)CCCO1	307743414	ZAPVMGPSYNBEMW-QMMMGPOBSA-N	194.727	2.528	50	20	AFGD	
CCCC1(CBr)CC1	85051168	MSWMVTGPASYFQO-UHFFFAOYSA-N	177.085	2.962	50	20	AFGD	
CC(C)[C@H](CCl)C1CC1	162190060	BBRNJMJXMRTLLO-QMMMGPOBSA-N	146.661	2.907	50	20	AFGD	
S=C=Nc1cc2c(cn1)CCCC2	114088583	QZOIIMBHYFZTAB-UHFFFAOYSA-N	190.271	2.695	50	20	AFGD	
O=C(Cl)Oc1cc(F)cc(F)c1	142284483	XKYSSFYEAFBBIZ-UHFFFAOYSA-N	192.548	2.702	50	20	AFGD	
ClCC1(C2CCC2)CCOCC1	161624466	ZNJXGNNGNUCEDC-UHFFFAOYSA-N	188.698	2.822	50	20	AFGD	
C=C/C=C/CCBr	59245637	GGEYAKZZSGJDFG-ONEGZZNKSA-N	161.042	2.514	50	20	AFGD	
CCC[C@]1(CCl)CCO[C@H]1C	127437647	VGTANZKONZTQAM-DTWKUNHWSA-N	176.687	2.821	50	20	AFGD	
N#CC1=CNc2ccccc2S1	44138020	SXHZCFFQWLTTJQ-UHFFFAOYSA-N	174.228	2.569	50	20	AFGD	
C[C@H](CCl)Cc1ccco1	82765135	UPKTXPSSIJCPPB-ZETCQYMHSA-N	158.628	2.697	50	20	AFGD	
BrCC1(C2CC2)CC1	162195237	AROMYDKXROWRID-UHFFFAOYSA-N	175.069	2.572	50	20	AFGD	
COCC[C@H](CCl)C(C)C	85044985	SMSWGBCRQZXMGJ-MRVPVSSYSA-N	164.676	2.534	50	20	AFGD	
N#CC1=C(Cl)CCCCC1	143217634	YBKMBXGFGWMBHN-UHFFFAOYSA-N	155.628	2.967	50	20	AFGD	
Cc1ccc(C)c(NC=C(C#N)C#N)c1	10334693	BMEHENMWTVLQNA-UHFFFAOYSA-N	197.241	2.646	50	20	AFGD	
ClCCCc1cccs1	19785258	SDWBIJFENFPAAU-UHFFFAOYSA-N	160.669	2.920	50	20	AFGD	
CN(Cc1ccsc1)C(=O)Cl	86889783	RNHBNZABEGLRAD-UHFFFAOYSA-N	189.667	2.539	50	20	AFGD	
CC[C@H](C)C(=O)NN=C(C)[C@@H](C)CC	915974200	IURLGIFROZVNPN-IUCAKERBSA-N	198.310	2.571	50	20	AFGD	
BrCc1ccc2c(c1)CC2	90627550	IGMGCMGCSKLTLA-UHFFFAOYSA-N	197.075	2.680	50	20	AFGD	
COC[C@@]1(CCl)CC=CCC1	306285213	DXGVQJATACLKTE-VIFPVBQESA-N	174.671	2.598	50	20	AFGD	
CO[C@@H]1CCC[C@H]1[C@@H](C)CCl	307716736	LFNJQVCQQYCCFA-XHNCKOQMSA-N	176.687	2.676	50	20	AFGD	
CCCC[C@@]1(CCl)CCCO1	307736469	ATYQTHVLQRYLQO-VIFPVBQESA-N	176.687	2.965	50	20	AFGD	
CCOc1cccc(C=C(C#N)C#N)c1	6950321	OONAPGUFNSVCSK-UHFFFAOYSA-N	198.225	2.516	50	20	AFGD	
CC(C)c1ccc(CCl)nc1	238238320	JKPGLVWDJDRWAN-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
ClCC1(C[C@@H]2CCOC2)CCC1	307234027	RENUYFKHHCLOFA-VIFPVBQESA-N	188.698	2.822	50	20	AFGD	
Cc1cc(F)ccc1OCCl	129235876	JSHQEZUGIQRYAA-UHFFFAOYSA-N	174.602	2.709	50	20	AFGD	
COC[C@H](CCl)C(C)(C)C	104724196	LEYWVYYJYVHMHQ-ZETCQYMHSA-N	164.676	2.534	50	20	AFGD	
C[C@H]1CC[C@@H](CC2(CCl)CC2)O1	232061193	LFKVJRNOWFAVTJ-IUCAKERBSA-N	188.698	2.963	50	20	AFGD	
COc1ccc([C@H](Cl)C(C)=O)cc1	40442653	GRZVJGRJFJOGJT-SNVBAGLBSA-N	198.649	2.564	50	20	AFGD	
CSCC(C)(C)CBr	83160521	FPXYGWUFHJPJPB-UHFFFAOYSA-N	197.141	2.771	50	20	AFGD	
C[C@@]1(CBr)C[C@@H]2C[C@@H]2C1	251222884	ZWBJSLFMFBIHSZ-JIGDXULJSA-N	189.096	2.818	50	20	AFGD	
CC[C@@H](C)[C@H](F)CBr	585142081	BRTVSPVDXOUKOU-PHDIDXHHSA-N	183.064	2.766	50	20	AFGD	
O=C/C=C/c1ccc(Cl)c(F)c1	86208079	PSNZIQFQQNCEPH-OWOJBTEDSA-N	184.597	2.691	50	20	AFGD	
CC1(C)[C@H](CBr)C1(F)F	148596777	CKVBRSQDSYTCQD-BYPYZUCNSA-N	199.038	2.673	50	20	AFGD	
CC[C@@H](CCl)C[C@H]1CCCO1	83822221	OXBBISFBKVHAMC-RKDXNWHRSA-N	176.687	2.821	50	20	AFGD	
CC(C)(C)C=NNC(=O)CC(C)(C)C	755696662	AVVCVAWBDXCJEV-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CC(C)Cc1nc(CCl)co1	58518591	MIWYQHFMHKPHGY-UHFFFAOYSA-N	173.643	2.612	50	20	AFGD	
COCC[C@@H](CCl)C(C)C	85044984	SMSWGBCRQZXMGJ-QMMMGPOBSA-N	164.676	2.534	50	20	AFGD	
CC1(c2ncc(CCl)o2)CCC1	536953358	JNDUJWGVDNZTGX-UHFFFAOYSA-N	185.654	2.855	50	20	AFGD	
C[C@](F)(CBr)C1CC1	1537958169	LODKJGNOSUQYRN-LURJTMIESA-N	181.048	2.520	50	20	AFGD	
Cc1cc(/C=C/C=O)c2ccccc2n1	86208094	QDFSWHMPUMEXAP-SNAWJCMRSA-N	197.237	2.755	50	20	AFGD	
F[C@H](CBr)CC1CCC1	585142471	HDNLUYNTFWPEEQ-ZETCQYMHSA-N	195.075	2.910	50	20	AFGD	
CCCC1(CCl)CC1	85043319	DBOJBEPGJBHGGV-UHFFFAOYSA-N	132.634	2.806	50	20	AFGD	
C[C@H]1[C@@](C)(CCl)[C@]1(F)Cl	307413842	UVXJGZYIXRDVNH-JKUQZMGJSA-N	171.042	2.786	50	20	AFGD	
CC(C)c1noc(C(Cl)Cl)n1	407986232	XCLYWWRNRALDCJ-UHFFFAOYSA-N	195.049	2.669	50	20	AFGD	
CSCC[C@@H](C)CBr	131932647	DLMFUDXSQULVIW-ZCFIWIBFSA-N	197.141	2.771	50	20	AFGD	
ClCC1(C[C@@H]2CCCO2)CC1	85043268	YUZQSRNMLRPLCU-QMMMGPOBSA-N	174.671	2.575	50	20	AFGD	
CCc1[nH]nc(C2CC2)c1CCCl	409439683	JPJVAURZGCWPOL-UHFFFAOYSA-N	198.697	2.631	50	20	AFGD	
C[C@@H](CCl)Cc1nccs1	87398596	VAVPKDOGOHOOAL-ZCFIWIBFSA-N	175.684	2.561	50	20	AFGD	
CCOC[C@H](CCl)C(C)C	157460812	PECNHZHHUZMPNG-QMMMGPOBSA-N	164.676	2.534	50	20	AFGD	
CC[C@H](CCl)C[C@H]1CCOC1	307697902	HGDWGKRJXSQZRZ-DTWKUNHWSA-N	176.687	2.678	50	20	AFGD	
ClCc1ccc2ncoc2c1	88189743	YVLVYGZDSIBRAV-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
Cc1csc(SC/C=C/C#N)n1	306527937	ZFVPNWKJAGNIFE-NSCUHMNNSA-N	196.300	2.623	50	20	AFGD	
O=C[C@@]1(CCCl)C[C@H]2CC[C@H]1C2	307224226	AVLGIILLFCHZME-LPEHRKFASA-N	186.682	2.621	50	20	AFGD	
CCCC[C@]1(CCl)CCOC1	85045613	BAPDZDHPRNWBRY-SECBINFHSA-N	176.687	2.822	50	20	AFGD	
Cc1cc(Cl)c(CCl)cn1	95768893	GYTWIVQETKMJDD-UHFFFAOYSA-N	176.046	2.782	50	20	AFGD	
CCC[C@]1(CCl)CCCCO1	307445739	VTVIKNCREGNRRU-SECBINFHSA-N	176.687	2.965	50	20	AFGD	
CC(C)(C)[C@@H]1CC[C@H](CCl)O1	238155442	HCFFVLFTWSGTAY-SFYZADRCSA-N	176.687	2.819	50	20	AFGD	
CCc1ccc(OC(=O)Cl)cc1	107130754	DBCVMTMQKDXRTK-UHFFFAOYSA-N	184.622	2.987	50	20	AFGD	
CC(CCC(C)C)=NNC(=O)C(C)C	916328156	YMGVOLKJLSIBKY-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CC(C)(C)CCN1CC=C(C#N)CC1	767119899	OZQHYIODVHKPJI-UHFFFAOYSA-N	192.306	2.578	50	20	AFGD	
CCCCC(C)=NNC(=O)C(C)(C)C	915966652	LWDUAMCTKHPPFC-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
C[C@@H]1CC[C@H](CC2(CCl)CC2)O1	232061194	LFKVJRNOWFAVTJ-RKDXNWHRSA-N	188.698	2.963	50	20	AFGD	
ClCCCCC1CCOCC1	70780465	DOFWUKDFFKEBRD-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
C=C[C@@](C)(CC)CBr	159051956	DBWCXJUXIUBQEG-ZETCQYMHSA-N	177.085	2.984	50	20	AFGD	
CCc1ccc(NC=C(C#N)C#N)cc1	747819525	LRFRVYUJNQKEAQ-UHFFFAOYSA-N	197.241	2.592	50	20	AFGD	
CCCC[C@@H]1CCCC1=NNC(=O)O	736984494	JNQTYDRFBABNHP-MRVPVSSYSA-N	198.266	2.600	50	20	AFGD	
COC(C)(C)C[C@@H](C)CCl	84348703	ZWMBKBOZCFAEKN-SSDOTTSWSA-N	164.676	2.676	50	20	AFGD	
C[C@H](Cl)c1ccc(F)nc1	138275252	FNUNHFFZPYUREN-YFKPBYRVSA-N	159.591	2.521	50	20	AFGD	
CC(C)c1coc(CCCl)n1	584880767	DLAOWKWXQYNEIF-UHFFFAOYSA-N	173.643	2.579	50	20	AFGD	
ClC[C@@]1(C2CC2)CCCCO1	306374658	KTYOIKFREYNKCX-SECBINFHSA-N	174.671	2.575	50	20	AFGD	
ClCc1ccc2c(n1)CCCC2	146264828	XWZPDXTYNBASMS-UHFFFAOYSA-N	181.666	2.699	50	20	AFGD	
COC[C@H](CCl)CC(C)C	157459913	AOEHFGSEWAMFRE-QMMMGPOBSA-N	164.676	2.534	50	20	AFGD	
ClCCSSCl	104731097	IVMHHITYJRYZER-UHFFFAOYSA-N	163.094	2.760	50	20	AFGD	
CSCC[C@@]1(CCl)CCCO1	307743411	ZAPVMGPSYNBEMW-MRVPVSSYSA-N	194.727	2.528	50	20	AFGD	
CC[C@H](C)[C@H](F)CBr	585142078	BRTVSPVDXOUKOU-NTSWFWBYSA-N	183.064	2.766	50	20	AFGD	
ClC[C@]1(C2CCC2)CCCO1	306417980	ZJHXFMKPPAJBPR-VIFPVBQESA-N	174.671	2.575	50	20	AFGD	
CC1(C)CC[C@@H](CCCCl)O1	160984900	YRCFKCHWXIRQAF-MRVPVSSYSA-N	176.687	2.963	50	20	AFGD	
CCC(C=NNC(=O)[C@H](C)CC)CC	915974706	NUFPOBVPFRAJNP-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
CC[C@@]1(CCl)CCO[C@@H]1C1CC1	166576673	WZPIDLJHIDETKY-ZJUUUORDSA-N	188.698	2.821	50	20	AFGD	
C[C@H](CCl)Cc1cscn1	85044169	FNNRTVQMADQWLR-LURJTMIESA-N	175.684	2.561	50	20	AFGD	
F[C@@H](CBr)CC1CC1	585142560	KYLLBEFKWNGIPB-ZCFIWIBFSA-N	181.048	2.520	50	20	AFGD	
C/C(=C\c1ccco1)CCl	86211380	VGEWFOASYPBKPV-FNORWQNLSA-N	156.612	2.922	50	20	AFGD	
CCCC(CCC)=NNC(=O)C(C)C	916327175	CCGWHBHCPTUZQC-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
C[C@@H]1C[C@H]1c1ncc(CCl)o1	536955390	XJLPRRAIAIMTQE-IYSWYEEDSA-N	171.627	2.537	50	20	AFGD	
C=CC[C@@H](CC)CCl	306311113	BZEOJJOYQNPZEU-SSDOTTSWSA-N	132.634	2.828	50	20	AFGD	
CC(C)c1cncc(CCl)c1	238174732	PBDQODFDMBNBPQ-UHFFFAOYSA-N	169.655	2.944	50	20	AFGD	
CSCCCCCBr	70050278	UQTUVABHINBKFZ-UHFFFAOYSA-N	197.141	2.915	50	20	AFGD	
Cc1[nH]nc(-c2ccoc2)c1CCl	409442195	XMOVHGULBWLMJT-UHFFFAOYSA-N	196.637	2.717	50	20	AFGD	
CC(C)C(CCl)CCl	104728753	BMNKUOHKCDZNSI-UHFFFAOYSA-N	155.068	2.736	50	20	AFGD	
C=CCCC(CCC)=NNC(=O)CC	814708345	JCDCVGCHZNLDNU-UHFFFAOYSA-N	196.294	2.635	50	20	AFGD	
CC(C)Oc1cccc(CCl)n1	51042831	PNKHQMLSJYYKCU-UHFFFAOYSA-N	185.654	2.608	50	20	AFGD	
C[C@@H]1CC[C@@H](CC2(CCl)CC2)O1	232061191	LFKVJRNOWFAVTJ-BDAKNGLRSA-N	188.698	2.963	50	20	AFGD	
CC[C@H](C)CC=NNC(=O)[C@H](C)CC	834943582	XZEKITOXRWUHDG-VHSXEESVSA-N	198.310	2.571	50	20	AFGD	
Cc1nc(C[C@@H](C)CCl)cs1	85044091	PWJKZTYWSDNLJC-ZCFIWIBFSA-N	189.711	2.869	50	20	AFGD	
Cc1cc(C)c([C@@H](O)CCl)cc1C	12506220	MMFBECABNPXRGF-NSHDSACASA-N	198.693	2.884	50	20	AFGD	
CC[C@@H](CCl)Cc1nccs1	87398634	BRKAHJPNCYNVNL-SSDOTTSWSA-N	189.711	2.951	50	20	AFGD	
ClCCCC[C@@H]1CCCO1	70651680	ICVIWEDRZANPDV-MRVPVSSYSA-N	162.660	2.575	50	20	AFGD	
C[C@H](CBr)CC1CC1	82765163	AOJARYGVVRZHSD-LURJTMIESA-N	177.085	2.818	50	20	AFGD	
CCCOCCCCBr	37025373	VXNPURBKVNSOMP-UHFFFAOYSA-N	195.100	2.588	50	20	AFGD	
Cc1cnc(CCl)cc1Cl	95761755	JQUBWKXBOZRUJT-UHFFFAOYSA-N	176.046	2.782	50	20	AFGD	
CCOc1cc(CCl)cc(C)n1	166451954	WFNHHLGVJRDZKW-UHFFFAOYSA-N	185.654	2.528	50	20	AFGD	
CC(C)(CCl)C[C@@H]1CCOC1	306640385	JXOPWRLLFLSRQU-QMMMGPOBSA-N	176.687	2.678	50	20	AFGD	
CO[C@@H](CCCCl)C(C)C	306670033	HANLEHBHHUXMJR-QMMMGPOBSA-N	164.676	2.676	50	20	AFGD	
ClCc1ccc(OCC2CC2)cn1	86792985	KJQFPPWMTWBTQI-UHFFFAOYSA-N	197.665	2.609	50	20	AFGD	
CCSCCCCCl	43646484	YZUYXNFHQZMAGX-UHFFFAOYSA-N	152.690	2.759	50	20	AFGD	
CC(C)[C@@]1(CCl)CCO[C@H]1C	127482745	PLTUEXDYNOCFOE-IUCAKERBSA-N	176.687	2.676	50	20	AFGD	
CCn1nc2c(c1CCl)CCCC2	409438935	NCAPCIBZOFPEKN-UHFFFAOYSA-N	198.697	2.521	50	20	AFGD	
Cc1cc(C)cc(NC=C(C#N)C#N)c1	14795448	OHGVLSKANDBALV-UHFFFAOYSA-N	197.241	2.646	50	20	AFGD	
ClCc1cocc1CCl	104717853	NFAFONDHZNZQCA-UHFFFAOYSA-N	165.019	2.757	50	20	AFGD	
C=CCOCSC[C@@H](C)Cl	238433424	FJVOTZMBUVSXLX-SSDOTTSWSA-N	180.700	2.507	50	20	AFGD	
N#CC(C#N)=Cc1ccccc1C1CC1	306736165	XCHZXFFNSLFWJL-UHFFFAOYSA-N	194.237	2.995	50	20	AFGD	
F[C@@H](CBr)c1ccco1	409430917	XILKCPUWTDJKSB-YFKPBYRVSA-N	193.015	2.685	50	20	AFGD	
CC[C@@](C)(F)CBr	307182375	UUWDAGTVDLZKTI-RXMQYKEDSA-N	169.037	2.520	50	20	AFGD	
Fc1ccc2c(c1)CC[C@H](Cl)C2	536952411	CQKAJQXXAYMRKH-VIFPVBQESA-N	184.641	2.922	50	20	AFGD	
C[C@H]1OCC[C@]1(CCl)C1CCC1	127441751	IIJBIQPZPTWXJJ-PSASIEDQSA-N	188.698	2.821	50	20	AFGD	
CC(C)C=CCCBr	1898195903	BIPFWVCMZFPKJN-UHFFFAOYSA-N	177.085	2.984	50	20	AFGD	
C[C@H]1CCCC[C@H]1OC(=O)Cl	167057262	RKEOVSXUOPSKEM-NKWVEPMBSA-N	176.643	2.941	50	20	AFGD	
CC(C)OCC1(CCl)CCC1	307759329	RGHIGRBULRVKTC-UHFFFAOYSA-N	176.687	2.821	50	20	AFGD	
C#CCCC[C@@H](F)CBr	585142523	IVDQWHHYVVUUEJ-SSDOTTSWSA-N	193.059	2.523	50	20	AFGD	
CCCCOCCCCCl	34141616	IJEMZYKPFZPVAV-UHFFFAOYSA-N	164.676	2.822	50	20	AFGD	
C[C@@H](CCl)Cc1cscn1	85044170	FNNRTVQMADQWLR-ZCFIWIBFSA-N	175.684	2.561	50	20	AFGD	
CC[C@H](CCl)C[C@H](C)OC	167709114	PLETXUXIHMSLES-YUMQZZPRSA-N	164.676	2.676	50	20	AFGD	
CC(C)CCCN1CC=C(C#N)CC1	759394566	GOTCJZAZRGUIHZ-UHFFFAOYSA-N	192.306	2.578	50	20	AFGD	
CC[C@H](C)C(C)=NNC(=O)[C@H](C)CC	915974199	IURLGIFROZVNPN-DTWKUNHWSA-N	198.310	2.571	50	20	AFGD	
ClCc1c[nH]nc1-c1ccccc1	95221200	XRGXQRUBBRVCGS-UHFFFAOYSA-N	192.649	2.816	50	20	AFGD	
C=CC[C@]1(CCl)CCO[C@@H]1C	306613984	ABPBXFIICMCXQO-RKDXNWHRSA-N	174.671	2.597	50	20	AFGD	
CO[C@@H]1CCCC[C@H]1CCCl	238398613	ZXOPRCWBBROGLW-DTWKUNHWSA-N	176.687	2.821	50	20	AFGD	
CO[C@H]1CCC[C@@H]1C1(CCl)CC1	307627714	VQKFXBUOKDDRRJ-IUCAKERBSA-N	188.698	2.821	50	20	AFGD	
CC[C@@H](C)[C@@H](F)CBr	585142082	BRTVSPVDXOUKOU-RITPCOANSA-N	183.064	2.766	50	20	AFGD	
CC#CCC(C)(C)CBr	238026311	TZENXIPOIFSFSD-UHFFFAOYSA-N	189.096	2.821	50	20	AFGD	
CCC(C=NNC(=O)C(C)(C)C)CC	915966415	IANZGGDUYLWLCM-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
CCC(CC)OC(=O)Cl	39475306	QUZQVZBZYLHJGX-UHFFFAOYSA-N	150.605	2.550	50	20	AFGD	
CC[C@H](C)CC=NNC(=O)CC(C)C	834928571	PQLGPZGPTSIBQU-JTQLQIEISA-N	198.310	2.571	50	20	AFGD	
CC[C@H](CCl)C[C@@H]1CCOC1	307697903	HGDWGKRJXSQZRZ-IUCAKERBSA-N	176.687	2.678	50	20	AFGD	
CC(C)Cc1coc(CCl)n1	584881054	KWTIPKWBIPOJGE-UHFFFAOYSA-N	173.643	2.612	50	20	AFGD	
CC[C@@H](C)OCCCBr	48264469	FZCMOCCMULVVGP-SSDOTTSWSA-N	195.100	2.587	50	20	AFGD	
C=C[C@](C)(CC)CCl	159042952	KIJLKRKMNIDWDP-SSDOTTSWSA-N	132.634	2.828	50	20	AFGD	
ClCc1c[nH]nc1-c1ccsc1	409442188	XJYIQUNANRBLIM-UHFFFAOYSA-N	198.678	2.877	50	20	AFGD	
COCCCC1(CCl)CCC1	85043174	NOMGQJAXIGJELY-UHFFFAOYSA-N	176.687	2.822	50	20	AFGD	
CCC(=O)Oc1cccc(CCl)c1	74942524	FMWZTRAMXVTDMU-UHFFFAOYSA-N	198.649	2.741	50	20	AFGD	
ClCc1cn(-c2ccccc2)cn1	104399966	QZVCVOTWZWJESS-UHFFFAOYSA-N	192.649	2.611	50	20	AFGD	
Nc1cc(CCCl)ccc1Cl	143282204	TWIJMKUZKCWJKS-UHFFFAOYSA-N	190.073	2.704	50	20	AFGD	
CC[C@](C)(CCl)CCOC	85044305	VKSKFUJCUARVJI-QMMMGPOBSA-N	164.676	2.678	50	20	AFGD	
CCCO[P@@](=O)(CC)CCl	521401159	ZKJKHKVTHXEZLS-JTQLQIEISA-N	184.603	2.907	50	20	AFGD	
COCC[C@@H](C)[C@H](C)CCl	163191977	UQVDWZHTUAGFAR-HTQZYQBOSA-N	164.676	2.534	50	20	AFGD	
COc1ccc([C@@H](Cl)C(C)=O)cc1	40442652	GRZVJGRJFJOGJT-JTQLQIEISA-N	198.649	2.564	50	20	AFGD	
Cc1cc(CBr)c(C)o1	54711027	LHMAMCDDZURIQU-UHFFFAOYSA-N	189.052	2.791	50	20	AFGD	
C[C@H]1CCCC[C@@]1(C=O)CCl	306585427	KCAOTIISBIHUIF-IUCAKERBSA-N	174.671	2.621	50	20	AFGD	
C=CCC1(CCl)CCC1	307592230	CXRDYALETCWUMW-UHFFFAOYSA-N	144.645	2.972	50	20	AFGD	
ClCc1cnc2occc2c1	36448061	IKSOFZFPKKNFLO-UHFFFAOYSA-N	167.595	2.567	50	20	AFGD	
CC(C)CC=NNC(=O)CC(C)(C)C	728429291	XXMIEVLDDCJXHC-UHFFFAOYSA-N	198.310	2.571	50	20	AFGD	
Cc1cccc(NC=C(C#N)C#N)c1C	10334866	GMKYICXTYQCBOB-UHFFFAOYSA-N	197.241	2.646	50	20	AFGD	
CC1CCC(OC(=O)Cl)CC1	113189257	HWRKOBTYLLJBDB-UHFFFAOYSA-N	176.643	2.941	50	20	AFGD	
C#CCCC(C)(C)CBr	585143297	WUKFAWNZWYQBJW-UHFFFAOYSA-N	189.096	2.821	50	20	AFGD	
CC(C)C[C@@H](C)N1CC=C(C#N)CC1	828570171	ZVRGKQSCJURFHZ-LLVKDONJSA-N	192.306	2.577	50	20	AFGD	
C[C@@H](Cl)CC(=O)Nc1ccccc1	48512636	VVAFDIQSUJLHBL-MRVPVSSYSA-N	197.665	2.643	50	20	AFGD	
ClCC1(CC2CCOCC2)CC1	85043257	NCBJKOUUVZBRJT-UHFFFAOYSA-N	188.698	2.822	50	20	AFGD	
Cc1cscc1CBr	168513035	FUUFNEQFPCJOGE-UHFFFAOYSA-N	191.093	2.951	50	20	AFGD	
Cc1cc(F)ccc1C=C(C#N)C#N	306824024	VIYGLPNTLZKQED-UHFFFAOYSA-N	186.189	2.565	50	20	AFGD	
CC(C)CCn1cnc(CCl)c1	232640656	ZLIWROFOQCVKTQ-UHFFFAOYSA-N	186.686	2.668	50	20	AFGD	
CC(=O)NN=C(C)C[C@H](C)CC(C)C	779753535	QMKWQCFPKQWZOF-SECBINFHSA-N	198.310	2.571	50	20	AFGD	
CC(C)(CCl)Cc1cncs1	159820169	COXJSOVXCZMDBQ-UHFFFAOYSA-N	189.711	2.951	50	20	AFGD	
CO[C@H](CCCCl)C(C)C	306670032	HANLEHBHHUXMJR-MRVPVSSYSA-N	164.676	2.676	50	20	AFGD	
O=CC=Cc1ccccc1Cl	1857775423	HGBCDXOKFIDHNS-UHFFFAOYSA-N	166.607	2.552	50	20	AFGD	
C[C@@H](CCl)CC1CCOCC1	82765138	ZEQRNMBNWGIQAE-MRVPVSSYSA-N	176.687	2.678	50	20	AFGD	
CC1(C)C[C@H](CCl)C(C)(C)O1	86928425	ZOHQEJCHYWGFMN-SSDOTTSWSA-N	176.687	2.819	50	20	AFGD	
Cc1cc(C=C(C#N)C#N)ccc1F	143034729	UUZMCJGTIIZDQL-UHFFFAOYSA-N	186.189	2.565	50	20	AFGD	
CCC1(CBr)CC1	85051019	VQMZCXVZFIFDNO-UHFFFAOYSA-N	163.058	2.572	50	20	AFGD	
CC(C)OCCCCCCl	37393832	NWDFINNWCXIOQX-UHFFFAOYSA-N	164.676	2.821	50	20	AFGD	
N#CC(C#N)=Cc1ccc2occc2c1	165134502	LDGQYOGLMGDBMM-UHFFFAOYSA-N	194.193	2.863	50	20	AFGD	
Fc1ccc2c(CCl)noc2c1	238620666	XSTIYYHJHIQOKK-UHFFFAOYSA-N	185.585	2.706	50	20	AFGD	
C[C@H]1C[C@H]1c1ccc(C=C(C#N)C#N)o1	306730579	PPUYSRYLSHZERL-GZMMTYOYSA-N	198.225	2.834	50	20	AFGD	
CCc1[nH]nc(C2CCC2)c1CCl	409442386	ZFHFREQHTHOZGY-UHFFFAOYSA-N	198.697	2.978	50	20	AFGD	
CCOCCC[C@@H](C)CCl	84141754	FOJLNCZSVVJJHZ-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
Cl[C@H]1CCCc2ncccc21	138585463	NPYQDVRGIFOHLC-QMMMGPOBSA-N	167.639	2.698	50	20	AFGD	
CC[C@@H](CCl)C[C@H]1CCOC1	307697904	HGDWGKRJXSQZRZ-RKDXNWHRSA-N	176.687	2.678	50	20	AFGD	
C[C@H]1C[C@@H]1c1ccc(/C=C/C=O)o1	86207832	AFSVDTUMQPKXAA-QZWDGIGVSA-N	176.215	2.615	50	20	AFGD	
Cc1csc(CCCCl)n1	87396917	MJYHSITZAUFMPN-UHFFFAOYSA-N	175.684	2.623	50	20	AFGD	
ClC[C@@]1(C2CCC2)CCCCO1	306263273	CLOLWUHUNXFUOC-SNVBAGLBSA-N	188.698	2.965	50	20	AFGD	
FC(F)(CCBr)C1CC1	721846272	KWVHNNZTQNEZNY-UHFFFAOYSA-N	199.038	2.817	50	20	AFGD	
CC[C@H](C)CC=NNC(=O)C(C)(C)C	834940290	BVFDQIHXJGVMBJ-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
Cn1ccc2c(CCl)cccc21	15423637	CSYLFDZLQYJXOT-UHFFFAOYSA-N	179.650	2.917	50	20	AFGD	
CC[C@@H](C)OC[C@H](C)CCl	70066990	CDXBBMRTZMPZCT-HTQZYQBOSA-N	164.676	2.676	50	20	AFGD	
C[C@H](CCl)C1CCC1	161626699	XPRGJIYKDQRWJL-ZCFIWIBFSA-N	132.634	2.661	50	20	AFGD	
Cl[C@H]1CC[C@H]2CC[C@H]1C2	307222615	YZYZICFHEKTHLN-CSMHCCOUSA-N	144.645	2.804	50	20	AFGD	
Oc1cccc(CCCCl)c1	58003780	YYCWQHLECFVTJA-UHFFFAOYSA-N	170.639	2.564	50	20	AFGD	
C=C(C#N)C1CCCCC1	34588652	RDHPKTYRMIOELA-UHFFFAOYSA-N	135.210	2.646	50	20	AFGD	
CC(C)C[C@]1(CCl)CCOC1	85045608	ZZKIHVCRJIVORP-VIFPVBQESA-N	176.687	2.678	50	20	AFGD	
CCC1(C)CCN(C(=O)Cl)CC1	86894303	VQZAXGJPVWZNPJ-UHFFFAOYSA-N	189.686	2.857	50	20	AFGD	
CC[C@H](CCl)C[C@H]1CCCO1	83822219	OXBBISFBKVHAMC-DTWKUNHWSA-N	176.687	2.821	50	20	AFGD	
Cc1ccc(F)c(C=C(C#N)C#N)c1	306375286	XKBBLEBZMKNUEM-UHFFFAOYSA-N	186.189	2.565	50	20	AFGD	
CC(=NNC(=O)O)C1CCCCCC1	833385438	YSSOXTYBVSKNFX-UHFFFAOYSA-N	198.266	2.600	50	20	AFGD	
CC(C)(CCl)Cc1cscn1	85042849	YRMODPHXAZWNKB-UHFFFAOYSA-N	189.711	2.951	50	20	AFGD	
Cc1cc(OCCl)ccc1F	135344095	JDBNDCQTOWZBFZ-UHFFFAOYSA-N	174.602	2.709	50	20	AFGD	
O=C(Cl)N1CC[C@H]2CCCC[C@H]21	39056757	LEWYUUYUTMWBIB-HTQZYQBOSA-N	187.670	2.610	50	20	AFGD	
ClCCCC[C@H]1CCCO1	70651679	ICVIWEDRZANPDV-QMMMGPOBSA-N	162.660	2.575	50	20	AFGD	
N#CC1=C(Cl)CCC(F)(F)C1	669370215	AWNFAKNZNPRWHG-UHFFFAOYSA-N	177.581	2.822	50	20	AFGD	
ClCCc1c[nH]nc1C1CCCC1	409442412	ZRCUGJCPSBXXRY-UHFFFAOYSA-N	198.697	2.849	50	20	AFGD	
C=CC[C@@]1(CCl)CCO[C@H]1C	306613983	ABPBXFIICMCXQO-IUCAKERBSA-N	174.671	2.597	50	20	AFGD	
CCC[C@H](CCl)COCC	157460061	OWMHRAGAAJUPJA-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
CO[C@@H]1CCC[C@@H]1C1(CCl)CC1	307627710	VQKFXBUOKDDRRJ-DTWKUNHWSA-N	188.698	2.821	50	20	AFGD	
CC[C@@H](C)C(=O)NN=CCCC(C)C	814810126	ZINTUYWMQKYPFH-SNVBAGLBSA-N	198.310	2.571	50	20	AFGD	
C[C@@H](CCl)Cc1ccco1	82765136	UPKTXPSSIJCPPB-SSDOTTSWSA-N	158.628	2.697	50	20	AFGD	
N#C/C(=C\c1ccco1)c1ccccn1	9378985	LKJHJTICKWIBSZ-CSKARUKUSA-N	196.209	2.739	50	20	AFGD	
ClCc1cc2c(s1)CCC2	37405169	JVXFZPJNAVDFQW-UHFFFAOYSA-N	172.680	2.976	50	20	AFGD	
CC[C@@H](C)c1nc(CCl)co1	238798864	BEPFUFACAGXPKN-ZCFIWIBFSA-N	173.643	2.927	50	20	AFGD	
N#CC(C#N)=Cc1cscc1Cl	306470309	QDPRWWQPRJUDPU-UHFFFAOYSA-N	194.646	2.832	50	20	AFGD	
N#C/C=C/CSc1ccccc1F	307698625	IFAILVVBGLMXJT-ONEGZZNKSA-N	193.246	2.998	50	20	AFGD	
ClCCn1ccc2ccccc21	136673048	LLQLTXXWIKRBNE-UHFFFAOYSA-N	179.650	2.880	50	20	AFGD	
C[C@@]1(CCl)C[C@@H]2C[C@@H]2C1	251171824	OTKDWECEMRRXNS-JIGDXULJSA-N	144.645	2.661	50	20	AFGD	
CC[C@@]1(CCl)CCO[C@H]1C1CC1	166576914	WZPIDLJHIDETKY-UWVGGRQHSA-N	188.698	2.821	50	20	AFGD	
CC1(C)CC[C@H](CCCCl)O1	160984761	YRCFKCHWXIRQAF-QMMMGPOBSA-N	176.687	2.963	50	20	AFGD	
Cc1cc(C#N)cc(C)c1OCCl	86491243	UXUPBKVUJPFYHT-UHFFFAOYSA-N	195.649	2.750	50	20	AFGD	
Cc1ccc([C@H](C)Cl)nc1	98178903	WAWVWMRXPTYDEU-ZETCQYMHSA-N	155.628	2.690	50	20	AFGD	
CC[C@H](C)C=NNC(=O)CC(C)(C)C	755698201	JLDRXGIJWOWNLX-VIFPVBQESA-N	198.310	2.571	50	20	AFGD	
Cl[C@H]1CCCc2[nH]ccc21	35569447	XGZDSYJKBNYCAP-ZETCQYMHSA-N	155.628	2.631	50	20	AFGD	
CC(C)(C)OC1CC(Cl)C1	85515785	KAQAJHBYLUNSME-UHFFFAOYSA-N	162.660	2.571	50	20	AFGD	
CC[C@](C)(F)CBr	307182376	UUWDAGTVDLZKTI-YFKPBYRVSA-N	169.037	2.520	50	20	AFGD	
C[C@@H](Cl)c1ccc(C(=O)O)cc1	98179129	ZHULDDBTDXXTMN-ZCFIWIBFSA-N	184.622	2.685	50	20	AFGD	
C=C[C@@](C)(CC)CCl	159042828	KIJLKRKMNIDWDP-ZETCQYMHSA-N	132.634	2.828	50	20	AFGD	
O=C(Cl)c1ccc2ccoc2c1	261508742	WKKRNEZSTQGXHO-UHFFFAOYSA-N	180.590	2.812	50	20	AFGD	
O=C(Cl)C[C@@H](C(F)F)C1CCC1	1898223310	IXPAEEQAHQBHAM-ZCFIWIBFSA-N	196.624	2.823	50	20	AFGD	
CC(C)[C@@H](C)[C@@]1(CCl)CCOC1	306347194	CWVYUIOWUWPZCO-NXEZZACHSA-N	190.714	2.924	50	20	AFGD	
Cc1[nH]nc(-c2ccco2)c1CCl	409441635	SLHGIHSTILFPOG-UHFFFAOYSA-N	196.637	2.717	50	20	AFGD	
C[C@@H]1CCCC[C@@H]1OC(=O)Cl	167057008	RKEOVSXUOPSKEM-RQJHMYQMSA-N	176.643	2.941	50	20	AFGD	
Cc1cccc(C)c1NC=C(C#N)C#N	59375079	DMNKXVDBBZEFQS-UHFFFAOYSA-N	197.241	2.646	50	20	AFGD	
C[C@H](Br)CC1CC1	116881208	SZNCNIHVINUCML-YFKPBYRVSA-N	163.058	2.570	50	20	AFGD	
CC[C@]1(CCl)CCO[C@@H]1C1CC1	166576568	WZPIDLJHIDETKY-NXEZZACHSA-N	188.698	2.821	50	20	AFGD	
CC[C@@H](CCl)C[C@H](C)OC	167709224	PLETXUXIHMSLES-JGVFFNPUSA-N	164.676	2.676	50	20	AFGD	
CCC(=O)NN=C(C)CCCC(C)C	764658546	JBICTXZOAIUBNK-UHFFFAOYSA-N	198.310	2.715	50	20	AFGD	
Cc1oc([C@@H](C)Cl)cc1C(=O)O	95942440	PDEDLYSGKHGJNT-SCSAIBSYSA-N	188.610	2.586	50	20	AFGD	
CCC[C@](C)(CCl)COC	157457982	OSZLNDLBHRWKLN-MRVPVSSYSA-N	164.676	2.678	50	20	AFGD	
C[C@H]1C[C@H]1c1ccc(/C=C/C=O)o1	86207835	AFSVDTUMQPKXAA-ASJFBNRSSA-N	176.215	2.615	50	20	AFGD	
CC[C@@H](C[C@@H](C)CCl)OC	306662222	TTXSZOLYLHBMIF-SFYZADRCSA-N	164.676	2.676	50	20	AFGD	
Fc1cccc(CCCCl)c1	60711160	TUFRBGOCQKSQOT-UHFFFAOYSA-N	172.630	2.997	50	20	AFGD	
CSCCCCCCl	34165310	JCDOXCSUMAXPQT-UHFFFAOYSA-N	152.690	2.759	50	20	AFGD	
Cc1ccc(C=C(C#N)C#N)cc1F	143067389	RITPEXCOAWXPFO-UHFFFAOYSA-N	186.189	2.565	50	20	AFGD	
COC(C)(C)C[C@H](C)CCl	84348700	ZWMBKBOZCFAEKN-ZETCQYMHSA-N	164.676	2.676	50	20	AFGD	
COC[C@@H](CCl)C1CCCC1	163519227	ARYPWIUUWUEUQY-SECBINFHSA-N	176.687	2.678	50	20	AFGD	
O=C/C=C/Cc1cccc2cccnc12	238676425	JIVKWPXSLYFGTO-OWOJBTEDSA-N	197.237	2.532	50	20	AFGD